C=C(C)CC(NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017045394	0	35	-1.0	-44.35	322.46	5.16	-39.19
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017045395	0	35	-1.0	-38.71	346.36	5.79	-32.92
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017045396	0	35	-1.0	-48.66	330.56	5.36	-43.30
C=C(C)CC(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300017045397	0	35	-1.0	-41.68	331.35	5.51	-36.17
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC)C(=O)[O-]	REAL300017045398	0	43	-1.0	-67.48	358.23	2.50	-64.98
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300017045399	0	36	-1.0	-44.92	320.44	5.44	-39.48
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017045400	0	43	-1.0	-73.69	364.07	3.49	-70.20
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017045401	0	44	-1.0	-59.74	371.32	3.60	-56.14
C=C(C)CC(NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017045402	0	38	-1.0	-39.81	352.14	5.06	-34.75
C=C(C)CC(NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017045403	0	42	-1.0	-53.43	376.41	3.60	-49.83
C=C(C)CC(NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017045404	0	43	-1.0	-56.78	386.65	6.04	-50.74
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300017045405	0	42	-1.0	-54.53	364.74	4.94	-49.59
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300017045406	0	35	-1.0	-52.28	320.48	5.92	-46.36
C=C(C)CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017045407	0	40	-1.0	-48.63	342.87	6.04	-42.59
C=C(C)CC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017045408	0	40	-1.0	-52.47	349.81	5.44	-47.03
C=C(C)CC(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017045409	0	38	-1.0	-61.62	324.10	0.34	-61.28
C=C(C)CC(NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017045410	0	42	-1.0	-46.71	371.14	5.19	-41.52
C=C(C)CC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017045411	0	37	-1.0	-58.87	335.00	4.54	-54.33
C=C(C)CC(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017045412	0	36	-1.0	-43.78	326.18	3.80	-39.98
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300017045413	0	42	-1.0	-53.60	346.37	5.08	-48.52
C=C(C)CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300017045414	0	40	-1.0	-50.50	364.84	0.39	-50.11
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300017045415	0	41	-1.0	-66.45	353.57	6.05	-60.40
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017045416	0	36	-1.0	-55.25	317.08	4.57	-50.68
C=C(C)CC(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300017045417	0	36	-1.0	-52.03	328.10	5.25	-46.78
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)OCCC)C=C1)C(=O)[O-]	REAL300017045418	0	44	-1.0	-50.56	386.02	6.60	-43.96
C=C(C)CC(NS(=O)(=O)C1=CC=C(NC(=O)CC)C=C1)C(=O)[O-]	REAL300017045419	0	42	-1.0	-57.56	364.83	3.90	-53.66
C=C(C)CC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017045420	0	38	-1.0	-42.71	352.31	5.97	-36.74
C=C(C)CC(NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300017045421	0	43	-1.0	-40.96	359.05	6.06	-34.90
C=C(C)CC(NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300017045422	0	38	-1.0	-50.68	336.17	4.06	-46.62
C=C(C)CC(NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017045423	0	31	-1.0	-40.96	310.59	3.23	-37.73
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017045424	0	38	-1.0	-47.90	331.83	4.04	-43.86
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300017045425	0	37	-1.0	-45.83	326.11	4.77	-41.06
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017045426	0	44	-1.0	-45.66	378.51	6.13	-39.53
C=C(C)CC(NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017045427	0	32	-1.0	-46.52	300.57	4.49	-42.03
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017045428	0	32	-1.0	-53.21	309.78	4.82	-48.39
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017045429	0	38	-1.0	-55.17	341.39	5.85	-49.32
C=C(C)CC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017045430	0	38	-1.0	-46.77	363.72	5.02	-41.75
C=C(C)CC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300017045431	0	40	-1.0	-49.98	354.17	3.91	-46.07
C=C(C)CC(NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017045432	0	35	-1.0	-57.33	336.97	5.73	-51.60
C=C(C)CC(NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300017045433	0	36	-1.0	-47.91	327.61	1.18	-46.73
C=C(C)CC(NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017045434	0	41	-1.0	-55.75	369.47	7.07	-48.68
C=C(C)CC(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300017045435	0	39	-1.0	-54.75	341.88	4.00	-50.75
C=C(C)CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017045436	0	34	-1.0	-56.54	325.52	5.49	-51.05
C=C(C)CC(NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300017045437	0	41	-1.0	-60.82	370.27	4.73	-56.09
C=C(C)CC(NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017045438	0	38	-1.0	-62.56	327.83	5.26	-57.30
C=C(C)CC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017045439	0	35	-1.0	-55.07	323.89	5.42	-49.65
C=C(C)CC(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017045440	0	44	-1.0	-69.87	384.66	2.71	-67.16
C=C(C)CC(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017045441	0	39	-1.0	-38.99	355.62	4.69	-34.30
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017045442	0	32	-1.0	-52.38	314.10	5.25	-47.13
C=C(C)CC(NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017045443	0	40	-1.0	-41.31	359.89	1.77	-39.54
C=C(C)CC(NS(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300017045476	0	41	-1.0	-49.59	368.09	5.85	-43.74
C=C(C)CC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017045477	0	40	-1.0	-62.11	341.98	4.52	-57.59
C=C(C)CC(NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017045478	0	32	-1.0	-53.15	299.23	4.69	-48.46
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1C(=O)N(C)CCCC)C(=O)[O-]	REAL300017045479	0	51	-1.0	-63.46	416.08	7.74	-55.72
C=C(C)CC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017045480	0	35	-1.0	-45.26	336.80	5.80	-39.46
C=C(C)CC(NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017045481	0	33	-1.0	-49.77	313.46	5.45	-44.32
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300017045482	0	39	-1.0	-53.94	359.51	3.76	-50.18
C=C(C)CC(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017045483	0	40	-1.0	-45.79	347.68	4.87	-40.92
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017045484	0	36	-1.0	-51.86	338.58	4.62	-47.24
C=C(C)CC(NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300017045485	0	44	-1.0	-42.33	347.99	7.45	-34.88
C=C(C)CC(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300017045486	0	44	-1.0	-41.82	372.62	3.09	-38.73
C=C(C)CC(NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300017045487	0	35	-1.0	-42.65	335.76	3.90	-38.75
C=C(C)CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017045488	0	41	-1.0	-59.34	362.96	6.52	-52.82
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017045489	0	43	-1.0	-52.52	393.32	7.59	-44.93
C=C(C)CC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017045490	0	38	-1.0	-48.77	343.70	5.34	-43.43
C=C(C)CC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017045491	0	38	-1.0	-45.24	371.78	5.41	-39.83
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300017045492	0	41	-1.0	-53.07	345.08	5.39	-47.68
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017045493	0	34	-1.0	-37.32	338.17	5.53	-31.79
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300017045494	0	36	-1.0	-48.98	339.47	5.35	-43.63
C=C(C)CC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300017045495	0	44	-1.0	-50.88	360.86	4.79	-46.09
C=C(C)CC(NS(=O)(=O)C1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300017045496	0	46	-1.0	-57.89	377.59	3.89	-54.00
C=C(C)CC(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300017045497	0	41	-1.0	-55.07	364.41	3.26	-51.81
C=C(C)CC(NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017045498	0	31	-1.0	-45.87	315.00	3.28	-42.59
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017045499	0	35	-1.0	-56.39	319.20	4.67	-51.72
C=C(C)CC(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300017045500	0	35	-1.0	-44.55	316.94	2.93	-41.62
C=C(C)CC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017045501	0	40	-1.0	-45.55	343.97	4.92	-40.63
C=C(C)CC(NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300017045502	0	36	-1.0	-55.78	323.63	3.93	-51.85
C=C(C)CC(NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300017045503	0	41	-1.0	-51.27	371.88	6.87	-44.40
C=C(C)CC(NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300017045504	0	41	-1.0	-59.26	364.79	5.67	-53.59
C=C(C)CC(NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017045505	0	39	-1.0	-43.31	331.51	6.01	-37.30
C=C(C)CC(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300017045506	0	42	-1.0	-47.91	372.86	6.06	-41.85
C=C(C)CC(NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017045507	0	50	-1.0	-46.87	421.63	6.17	-40.70
C=C(C)CC(NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017045508	0	50	-1.0	-56.17	421.58	6.06	-50.11
C=C(C)CC(NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017045509	0	47	-1.0	-56.23	407.32	5.35	-50.88
C=C(C)CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300017045510	0	34	-1.0	-39.71	327.92	4.62	-35.09
C=C(C)CC(NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017045511	0	43	-1.0	-74.70	366.99	5.27	-69.43
C=C(C)CC(NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017045512	0	32	-1.0	-50.84	312.23	5.18	-45.66
C=C(C)CC(NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017045513	0	32	-1.0	-47.31	323.84	5.29	-42.02
C=C(C)CC(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300017045514	0	42	-1.0	-46.73	347.04	5.77	-40.96
C=C(C)CC(NS(=O)(=O)C1=CC=C(C#N)C(C)=C1)C(=O)[O-]	REAL300017045515	0	36	-1.0	-50.87	326.91	5.22	-45.65
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300017045516	0	38	-1.0	-49.74	346.99	4.90	-44.84
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300017045517	0	36	-1.0	-44.25	335.24	4.67	-39.58
C=C(C)CC(NS(=O)(=O)C1=CC(OC)=CC=C1C)C(=O)[O-]	REAL300017045518	0	39	-1.0	-58.66	325.39	4.11	-54.55
C=C(C)CC(NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017045519	0	33	-1.0	-47.71	327.20	5.26	-42.45
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300017045520	0	39	-1.0	-49.29	343.39	4.67	-44.62
C=C(C)CC(NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300017045521	0	38	-1.0	-50.89	353.97	4.54	-46.35
C=C(C)CC(NS(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1)C(=O)[O-]	REAL300017045522	0	39	-1.0	-55.36	348.07	3.26	-52.10
C=C(C)CC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017045523	0	40	-1.0	-52.68	353.01	3.80	-48.88
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017045524	0	36	-1.0	-51.26	332.18	4.01	-47.25
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017045525	0	35	-1.0	-50.49	332.04	5.28	-45.21
C=C(C)CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300017045526	0	43	-1.0	-56.28	379.58	1.19	-55.09
C=C(C)CC(NS(=O)(=O)C1=CC=C2SC(C(=O)OCC)=CC2=C1)C(=O)[O-]	REAL300017045527	0	44	-1.0	-45.20	405.52	7.31	-37.89
C=C(C)CC(NS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300017045528	0	36	-1.0	-61.64	330.32	5.37	-56.27
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300017045529	0	36	-1.0	-51.86	324.28	4.56	-47.30
C=C(C)CC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017045530	0	37	-1.0	-55.98	343.64	-0.16	-56.14
C=C(C)CC(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300017045531	0	38	-1.0	-41.69	326.40	3.70	-37.99
C=C(C)CC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300017045532	0	38	-1.0	-47.97	339.04	5.56	-42.41
C=C(C)CC(NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017045533	0	32	-1.0	-49.08	308.66	5.54	-43.54
C=C(C)CC(NS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300017045534	0	38	-1.0	-39.73	320.51	5.77	-33.96
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017045535	0	32	-1.0	-52.17	314.16	5.26	-46.91
C=C(C)CC(NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300017045536	0	42	-1.0	-58.52	358.27	1.57	-56.95
C=C(C)CC(NS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300017045537	0	30	-1.0	-38.46	301.16	3.81	-34.65
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017045538	0	33	-1.0	-54.78	305.63	2.97	-51.81
C=C(C)CC(NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300017045539	0	35	-1.0	-51.82	311.61	1.73	-50.09
C=C(C)CC(NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017045540	0	32	-1.0	-44.85	316.45	4.99	-39.86
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300017045541	0	42	-1.0	-52.11	369.99	4.89	-47.22
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017045542	0	36	-1.0	-46.55	341.88	1.55	-45.00
C=C(C)CC(NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300017045543	0	39	-1.0	-45.39	342.24	4.49	-40.90
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300017045544	0	43	-1.0	-47.39	350.92	5.96	-41.43
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300017045545	0	36	-1.0	-52.76	343.36	5.53	-47.23
C=C(C)CC(NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300017045583	0	33	-1.0	-53.64	311.77	4.71	-48.93
C=C(C)CC(NS(=O)(=O)C1=CC(C#N)=CC=C1C)C(=O)[O-]	REAL300017045584	0	36	-1.0	-57.62	316.42	5.21	-52.41
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017045585	0	46	-1.0	-53.91	390.54	3.81	-50.10
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017045586	0	40	-1.0	-43.59	362.42	5.35	-38.24
C=C(C)CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017045587	0	37	-1.0	-48.74	330.93	5.54	-43.20
C=C(C)CC(NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300017045588	0	35	-1.0	-54.75	318.12	5.46	-49.29
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017045589	0	35	-1.0	-53.08	328.29	3.08	-50.00
C=C(C)CC(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300017045590	0	43	-1.0	-58.10	377.18	4.98	-53.12
C=C(C)CC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300017045591	0	34	-1.0	-52.54	318.86	3.73	-48.81
C=C(C)CC(NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300017045592	0	42	-1.0	-61.37	366.03	4.87	-56.50
C=C(C)CC(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300017045593	0	33	-1.0	-59.80	296.82	2.62	-57.18
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017045594	0	42	-1.0	-70.32	361.53	3.94	-66.38
C=C(C)CC(NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-]	REAL300017045595	0	34	-1.0	-37.94	310.85	3.82	-34.12
C=C(C)CC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300017045596	0	37	-1.0	-56.71	334.75	4.23	-52.48
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2)C(=O)[O-]	REAL300017045597	0	38	-1.0	-55.45	324.31	2.12	-53.33
C=C(C)CC(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300017045598	0	44	-1.0	-53.79	361.93	4.77	-49.02
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300017045599	0	34	-1.0	-50.31	322.58	3.41	-46.90
C=C(C)CC(NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300017045600	0	35	-1.0	-43.73	322.40	5.68	-38.05
C=C(C)CC(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300017045601	0	40	-1.0	-62.47	339.08	4.79	-57.68
C=C(C)CC(NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017045602	0	34	-1.0	-40.44	319.28	3.46	-36.98
C=C(C)CC(NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300017045603	0	38	-1.0	-43.86	342.29	3.33	-40.53
C=C(C)CC(NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017045604	0	31	-1.0	-39.16	311.74	4.02	-35.14
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017045605	0	41	-1.0	-44.68	363.88	5.91	-38.77
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C)=C1C#N)C(=O)[O-]	REAL300017045606	0	36	-1.0	-56.92	318.19	4.69	-52.23
C=C(C)CC(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300017045607	0	40	-1.0	-55.85	347.06	2.81	-53.04
C=C(C)CC(NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300017045608	0	33	-1.0	-54.87	313.30	5.03	-49.84
C=C(C)CC(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300017045609	0	38	-1.0	-57.24	336.00	5.56	-51.68
C=C(C)CC(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017045610	0	40	-1.0	-60.83	334.44	5.85	-54.98
C=C(C)CC(NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300017045611	0	44	-1.0	-54.49	363.77	6.93	-47.56
C=C(C)CC(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300017045612	0	40	-1.0	-38.92	342.85	6.45	-32.47
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300017045613	0	35	-1.0	-53.57	311.81	5.36	-48.21
C=C(C)CC(NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017045614	0	38	-1.0	-43.48	347.81	3.78	-39.70
C=C(C)CC(NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300017045615	0	35	-1.0	-43.49	321.59	4.64	-38.85
C=C(C)CC(NS(=O)(=O)C1=C(C)C=CC=C1F)C(=O)[O-]	REAL300017045616	0	35	-1.0	-45.25	305.11	5.06	-40.19
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300017045617	0	33	-1.0	-41.12	313.40	2.16	-38.96
C=C(C)CC(NS(=O)(=O)C1=CN=C(CC)S1)C(=O)[O-]	REAL300017045618	0	34	-1.0	-50.86	317.92	2.97	-47.89
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300017045619	0	38	-1.0	-48.20	333.61	6.03	-42.17
C=C(C)CC(NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300017045620	0	34	-1.0	-59.86	311.13	2.51	-57.35
C=C(C)CC(NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017045621	1	34	-1.0	-63.65	316.20	2.10	-61.55
C=C(C)CC(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300017045622	0	38	-1.0	-42.06	337.92	5.60	-36.46
C=C(C)CC(NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300017045623	0	40	-1.0	-59.87	347.62	2.66	-57.21
C=C(C)CC(NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-]	REAL300017045624	0	43	-1.0	-44.77	354.94	2.35	-42.42
C=C(C)CC(NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017045625	0	39	-1.0	-51.15	352.04	4.38	-46.77
C=C(C)CC(NS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300017045626	0	31	-1.0	-48.94	300.05	2.89	-46.05
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C)=C1F)C(=O)[O-]	REAL300017045627	0	35	-1.0	-54.77	307.88	4.95	-49.82
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300017045628	0	43	-1.0	-51.62	370.24	6.05	-45.57
C=C(C)CC(NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017045629	0	35	-1.0	-42.68	331.96	5.45	-37.23
C=C(C)CC(NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017045630	0	35	-1.0	-38.77	332.48	5.47	-33.30
C=C(C)CC(NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017045631	0	32	-1.0	-57.03	299.77	4.88	-52.15
C=C(C)CC(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300017045632	0	35	-1.0	-42.53	316.46	4.97	-37.56
C=C(C)CC(NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300017045633	0	35	-1.0	-46.48	328.78	2.17	-44.31
C=C(C)CC(NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300017045634	0	36	-1.0	-43.56	336.03	5.33	-38.23
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300017045635	0	37	-1.0	-51.01	337.51	3.17	-47.84
C=C(C)CC(NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017045636	0	31	-1.0	-54.31	301.34	3.46	-50.85
C=C(C)CC(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300017045637	0	39	-1.0	-54.54	343.12	3.93	-50.61
C=C(C)CC(NS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300017045638	0	37	-1.0	-54.45	328.63	4.72	-49.73
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017045639	0	38	-1.0	-43.17	359.88	5.39	-37.78
C=C(C)CC(NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C(=O)[O-]	REAL300017045640	0	35	-1.0	-53.58	331.17	2.20	-51.38
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300017045641	0	38	-1.0	-49.21	335.89	1.87	-47.34
C=C(C)CC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017045642	0	41	-1.0	-66.55	372.88	2.43	-64.12
C=C(C)CC(NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017045643	0	39	-1.0	-63.08	349.78	3.23	-59.85
C=C(C)CC(NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017045644	0	46	-1.0	-63.84	379.94	5.99	-57.85
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300017045645	0	35	-1.0	-44.10	298.56	2.64	-41.46
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300017045646	0	38	-1.0	-48.54	336.92	5.83	-42.71
C=C(C)CC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300017045647	0	42	-1.0	-48.05	373.92	1.76	-46.29
C=C(C)CC(NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300017045648	0	49	-1.0	-51.16	401.84	6.21	-44.95
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017045649	0	41	-1.0	-49.18	372.92	5.65	-43.53
C=C(C)CC(NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300017045650	0	41	-1.0	-53.81	354.36	6.55	-47.26
C=C(C)CC(NS(=O)(=O)C1=CSC2=CC=CC=C21)C(=O)[O-]	REAL300017045651	0	35	-1.0	-52.94	316.37	5.40	-47.54
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017045652	0	35	-1.0	-54.44	318.23	5.38	-49.06
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1)C(=O)[O-]	REAL300017045653	0	46	-1.0	-58.36	399.37	2.42	-55.94
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1OC)C(=O)[O-]	REAL300017045654	0	45	-1.0	-47.71	392.63	5.73	-41.98
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300017045655	0	44	-1.0	-51.12	380.72	6.32	-44.80
C=C(C)CC(NS(=O)(=O)C1=CC=CC(CC(=O)OCC)=C1)C(=O)[O-]	REAL300017045656	0	44	-1.0	-47.23	389.71	6.63	-40.60
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC)C(=O)[O-]	REAL300017045657	0	43	-1.0	-54.96	378.83	4.19	-50.77
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)OCC)=C(C)C=C1F)C(=O)[O-]	REAL300017045658	0	44	-1.0	-43.83	386.64	6.54	-37.29
C=C(C)CC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017045659	0	38	-1.0	-40.73	348.12	6.20	-34.53
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1F)C(=O)[O-]	REAL300017045660	0	41	-1.0	-59.16	364.88	5.79	-53.37
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017045661	0	42	-1.0	-46.58	365.08	7.68	-38.90
C=C(C)CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC)C=C1)C(=O)[O-]	REAL300017045662	0	46	-1.0	-54.57	405.91	2.07	-52.50
C=C(C)CC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017045663	0	35	-1.0	-54.79	327.10	5.55	-49.24
C=C(C)CC(NS(=O)(=O)C1=CN(C)C(C(=O)C(=O)OCC)=C1)C(=O)[O-]	REAL300017045664	0	44	-1.0	-48.70	392.63	5.49	-43.21
C=C(C)CC(NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017045665	0	36	-1.0	-45.32	338.23	5.15	-40.17
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017045666	0	35	-1.0	-52.85	319.20	5.12	-47.73
C=C(C)CC(NS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300017045667	0	34	-1.0	-41.54	314.61	3.56	-37.98
C=C(C)CC(NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017045668	0	35	-1.0	-55.91	328.49	3.66	-52.25
C=C(C)CC(NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017045669	0	33	-1.0	-46.24	311.44	3.06	-43.18
C=C(C)CC(NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	REAL300017045670	0	40	-1.0	-47.24	338.38	4.16	-43.08
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C(=O)[O-]	REAL300017045671	0	45	-1.0	-58.19	382.01	5.05	-53.14
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300017045672	0	38	-1.0	-50.57	342.67	4.81	-45.76
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300017045673	0	43	-1.0	-56.45	385.73	4.02	-52.43
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300017045674	0	47	-1.0	-55.44	400.85	7.02	-48.42
C=C(C)CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300017045675	0	44	-1.0	-57.15	391.76	3.42	-53.73
C=C(C)CC(NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-]	REAL300017045676	0	44	-1.0	-42.09	360.68	5.25	-36.84
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300017045677	0	39	-1.0	-42.92	362.43	4.49	-38.43
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017045678	0	38	-1.0	-49.54	342.14	5.73	-43.81
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300017045679	0	43	-1.0	-51.22	392.57	7.63	-43.59
C=C(C)CC(NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300017045680	0	41	-1.0	-60.04	364.01	5.71	-54.33
C=C(C)CC(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300017045681	0	42	-1.0	-41.08	330.80	5.66	-35.42
C=C(C)CC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300017045682	0	38	-1.0	-56.96	348.29	6.26	-50.70
C=C(C)CC(NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	REAL300017045683	0	41	-1.0	-61.85	345.65	4.67	-57.18
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300017045684	0	32	-1.0	-38.91	321.23	4.44	-34.47
C=C(C)CC(NS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017045685	0	45	-1.0	-48.66	400.48	4.62	-44.04
C=C(C)CC(NS(=O)(=O)C1=CC(COC)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300017045686	0	48	-1.0	-47.02	420.34	5.52	-41.50
C=C(C)CC(NS(=O)(=O)CC1(C(=O)OC)CCCCC1)C(=O)[O-]	REAL300017045687	0	47	-1.0	-42.28	372.29	5.66	-36.62
C=C(C)CC(NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017045688	0	40	-1.0	-47.13	358.27	5.26	-41.87
C=C(C)CC(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017045689	1	34	-1.0	-60.83	316.31	3.24	-57.59
C=C(C)CC(NS(=O)(=O)C1=CNC2=CC=CC=C21)C(=O)[O-]	REAL300017045690	0	36	-1.0	-61.93	316.69	4.00	-57.93
C=C(C)CC(NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300017045691	0	45	-1.0	-50.91	388.48	8.07	-42.84
C=C(C)CC(NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017045692	0	35	-1.0	-44.43	344.79	5.96	-38.47
C=C(C)CC(NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300017045693	0	35	-1.0	-45.11	335.37	5.54	-39.57
C=C(C)CC(NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300017045694	0	36	-1.0	-49.01	339.39	4.49	-44.52
C=C(C)CC(NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300017045695	0	42	-1.0	-55.05	362.34	6.59	-48.46
C=C(C)CC(NS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300017045696	0	44	-1.0	-54.80	351.69	5.66	-49.14
C=C(C)CC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017045697	0	36	-1.0	-43.92	334.81	5.86	-38.06
C=C(C)CC(NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300017045698	0	41	-1.0	-41.81	356.24	6.52	-35.29
C=C(C)CC(NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300017045700	0	36	-1.0	-44.84	329.58	-0.16	-45.00
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1CCC)C(=O)[O-]	REAL300017045704	0	41	-1.0	-56.46	332.86	6.51	-49.95
C=C(C)CC(NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300017045705	0	41	-1.0	-47.80	351.32	4.93	-42.87
C=C(C)CC(NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300017045706	0	32	-1.0	-60.90	293.79	3.79	-57.11
C=C(C)CC(NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017045707	0	38	-1.0	-42.18	341.13	5.79	-36.39
C=C(C)CC(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017045708	0	48	-1.0	-51.50	399.99	7.06	-44.44
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300017045709	0	37	-1.0	-61.64	314.01	4.21	-57.43
C=C(C)CC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300017045710	0	52	-1.0	-59.74	413.49	6.62	-53.12
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300017045711	0	39	-1.0	-60.85	348.30	4.36	-56.49
C=C(C)CC(NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300017045712	0	46	-1.0	-54.02	383.27	4.29	-49.73
C=C(C)CC(NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300017045713	0	47	-1.0	-75.30	398.45	6.87	-68.43
C=C(C)CC(NS(=O)(=O)C1=CC=C2CCN(C(=O)CC)C2=C1)C(=O)[O-]	REAL300017045714	0	46	-1.0	-74.95	387.59	6.20	-68.75
C=C(C)CC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300017045715	0	39	-1.0	-54.61	338.22	3.97	-50.64
C=C(C)CC(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300017045716	0	39	-1.0	-43.96	333.00	3.98	-39.98
C=C(C)CC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300017045717	0	42	-1.0	-49.32	350.25	5.02	-44.30
C=C(C)CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300017045725	0	38	-1.0	-52.61	356.25	5.15	-47.46
C=C(C)CC(NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300017045726	0	38	-1.0	-55.77	338.50	1.44	-54.33
C=C(C)CC(NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017045727	1	29	-1.0	-43.96	291.59	3.01	-40.95
C=C(C)CC(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300017045728	0	39	-1.0	-46.65	327.95	4.15	-42.50
C=C(C)CC(NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1)C(=O)[O-]	REAL300017045729	0	36	-1.0	-39.65	336.77	3.81	-35.84
C=C(C)CC(NS(=O)(=O)C1=CC(F)=C(OC)C=C1F)C(=O)[O-]	REAL300017045730	0	36	-1.0	-53.11	325.12	3.56	-49.55
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCCCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300017045731	0	57	-1.0	-51.67	462.16	8.83	-42.84
C=C(C)CC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300017045732	0	48	-1.0	-57.48	375.43	5.56	-51.92
C=C(C)CC(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300017045733	0	42	-1.0	-43.84	362.48	5.72	-38.12
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCCOCC)C(C(C)C)=C1)C(=O)[O-]	REAL300017045734	0	55	-1.0	-54.06	452.34	6.72	-47.34
C=C(C)CC(NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300017045735	0	35	-1.0	-40.24	308.63	4.85	-35.39
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300017045736	0	40	-1.0	-58.60	343.50	5.49	-53.11
C=C(C)CC(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017045737	0	40	-1.0	-50.78	357.93	3.91	-46.87
C=C(C)CC(NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300017045738	0	40	-1.0	-46.17	356.88	6.44	-39.73
C=C(C)CC(NS(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300017045739	0	36	-1.0	-45.64	327.10	4.83	-40.81
C=C(C)CC(NS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300017045740	0	35	-1.0	-54.17	325.49	5.52	-48.65
C=C(C)CC(NS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br)C(=O)[O-]	REAL300017045741	0	35	-1.0	-54.69	329.74	6.30	-48.39
C=C(C)CC(NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300017045742	0	49	-1.0	-63.53	398.05	6.29	-57.24
C=C(C)CC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300017045743	0	38	-1.0	-46.54	341.40	4.87	-41.67
C=C(C)CC(NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C)C(=O)[O-]	REAL300017045744	0	46	-1.0	-73.83	387.48	5.82	-68.01
C=C(C)CC(NS(=O)(=O)C1=CSC=C1Cl)C(=O)[O-]	REAL300017045745	0	29	-1.0	-40.91	293.25	3.88	-37.03
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300017045746	0	32	-1.0	-47.43	309.00	2.37	-45.06
C=C(C)CC(NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017045747	0	34	-1.0	-48.03	321.94	3.33	-44.70
C=C(C)CC(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300017045748	0	37	-1.0	-63.74	326.56	3.92	-59.82
C=C(C)CC(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300017045749	0	41	-1.0	-53.71	328.37	4.05	-49.66
C=C(C)CC(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12)C(=O)[O-]	REAL300017045750	0	36	-1.0	-58.82	337.77	4.61	-54.21
C=C(C)CC(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300017045751	0	33	-1.0	-49.79	302.72	2.98	-46.81
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300017045752	0	35	-1.0	-47.55	329.48	5.69	-41.86
C=C(C)CC(NS(=O)(=O)C1=CNC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300017045753	0	36	-1.0	-56.17	337.77	4.60	-51.57
C=C(C)CC(NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300017045754	0	35	-1.0	-55.56	335.83	3.99	-51.57
C=C(C)CC(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300017045755	0	39	-1.0	-45.19	338.85	3.96	-41.23
C=C(C)CC(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300017045756	0	41	-1.0	-42.24	340.25	6.47	-35.77
C=C(C)CC(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300017045757	0	40	-1.0	-54.84	345.22	4.41	-50.43
C=C(C)CC(NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300017045758	0	41	-1.0	-57.19	359.21	1.49	-55.70
C=C(C)CC(NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300017045759	0	33	-1.0	-47.83	328.47	5.08	-42.75
C=C(C)CC(NS(=O)(=O)C1=COC2=CC=CC=C21)C(=O)[O-]	REAL300017045760	0	35	-1.0	-45.50	305.94	4.05	-41.45
C=C(C)CC(NS(=O)(=O)C1=C(F)C=CC(OC)=C1OC)C(=O)[O-]	REAL300017045761	0	40	-1.0	-48.70	348.67	4.49	-44.21
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300017045762	1	35	-1.0	-43.20	349.18	3.68	-39.52
C=C(C)CC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300017045763	0	45	-1.0	-46.67	374.13	5.04	-41.63
C=C(C)CC(NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300017045764	0	36	-1.0	-46.94	339.93	6.09	-40.85
C=C(C)CC(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300017045766	0	39	-1.0	-47.38	346.48	4.10	-43.28
C=C(C)CC(NC(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017045767	0	34	-1.0	-53.02	322.02	8.24	-44.78
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300017045768	0	36	-1.0	-55.62	326.25	3.83	-51.79
C=C(C)CC(NS(=O)(=O)C1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300017045769	0	36	-1.0	-63.33	336.30	4.65	-58.68
C=C(C)CC(NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017045770	0	35	-1.0	-45.82	317.43	3.44	-42.38
C=C(C)CC(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300017045771	0	37	-1.0	-55.18	334.79	2.74	-52.44
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300017045773	0	38	-1.0	-55.79	334.77	6.11	-49.68
C=C(C)CC(NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300017045774	0	43	-1.0	-53.71	341.19	4.53	-49.18
C=C(C)CC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300017045775	0	38	-1.0	-49.04	352.65	5.26	-43.78
C=C(C)CC(NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300017045776	0	35	-1.0	-52.60	314.71	4.40	-48.20
C=C(C)CC(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300017045777	0	42	-1.0	-46.94	361.82	4.60	-42.34
C=C(C)CC(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300017045778	0	50	-1.0	-58.69	386.93	7.52	-51.17
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300017045779	0	38	-1.0	-40.25	361.74	6.17	-34.08
C=C(C)CC(NS(=O)(=O)C1=C(Cl)SC=C1)C(=O)[O-]	REAL300017045780	0	29	-1.0	-52.06	292.82	3.67	-48.39
C=C(C)CC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300017045781	0	42	-1.0	-45.89	362.62	4.88	-41.01
C=C(C)CC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300017045782	0	36	-1.0	-56.05	323.58	5.32	-50.73
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300017045783	0	43	-1.0	-57.58	376.71	7.26	-50.32
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300017045784	0	45	-1.0	-60.20	377.65	2.62	-57.58
C=C(C)CC(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017045785	0	41	-1.0	-72.11	350.71	5.59	-66.52
C=C(C)CC(NS(=O)(=O)C1=CC=CC(CCC)=C1)C(=O)[O-]	REAL300017045786	0	41	-1.0	-44.03	355.02	6.47	-37.56
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)OC)=NN1C)C(=O)[O-]	REAL300017045787	0	38	-1.0	-52.51	343.16	2.49	-50.02
C=C(C)CC(NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300017045788	0	33	-1.0	-54.97	302.69	4.40	-50.57
C=C(C)CC(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300017045789	0	39	-1.0	-47.09	335.21	3.82	-43.27
C=C(C)CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017045790	0	36	-1.0	-47.34	343.43	5.69	-41.65
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1)C(=O)[O-]	REAL300017045791	0	44	-1.0	-46.58	391.57	7.19	-39.39
C=C(C)CC(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300017045792	0	41	-1.0	-51.81	325.76	3.60	-48.21
C=C(C)CC(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300017045793	0	41	-1.0	-46.08	355.41	3.98	-42.10
C=C(C)CC(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300017045794	0	39	-1.0	-44.69	338.85	3.28	-41.41
C=C(C)CC(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017045795	0	37	-1.0	-39.94	339.55	4.06	-35.88
C=C(C)CC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017045796	0	35	-1.0	-37.91	333.51	5.29	-32.62
C=C(C)CC(NS(=O)(=O)C1=CC=C(CF)C=C1)C(=O)[O-]	REAL300017045797	0	35	-1.0	-54.42	315.83	5.04	-49.38
C=C(C)CC(NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300017045798	0	32	-1.0	-40.69	306.20	4.63	-36.06
C=C(C)CC(NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017045799	0	32	-1.0	-47.70	320.25	4.33	-43.37
C=C(C)CC(NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300017045800	0	37	-1.0	-41.36	320.41	3.59	-37.77
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017045801	0	35	-1.0	-50.18	339.85	5.60	-44.58
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300017045802	0	35	-1.0	-56.80	299.39	4.94	-51.86
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C(=O)CCC)=C1)C(=O)[O-]	REAL300017045803	0	43	-1.0	-57.87	371.39	6.31	-51.56
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300017045804	0	43	-1.0	-55.79	352.42	7.29	-48.50
C=C(C)CC(NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300017045805	0	42	-1.0	-54.18	367.19	6.03	-48.15
C=C(C)CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300017045806	0	38	-1.0	-51.18	346.33	5.25	-45.93
C=C(C)CC(NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017045807	0	38	-1.0	-44.90	332.21	4.71	-40.19
C=C(C)CC(NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300017045808	0	37	-1.0	-42.21	344.67	4.85	-37.36
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300017045809	0	42	-1.0	-50.56	384.05	4.99	-45.57
C=C(C)CC(NS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1)C(=O)[O-]	REAL300017045810	0	41	-1.0	-59.38	362.26	4.14	-55.24
C=C(C)CC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300017045811	0	32	-1.0	-55.38	300.17	3.88	-51.50
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300017045812	0	39	-1.0	-53.19	336.93	6.31	-46.88
C=C(C)CC(NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300017045813	0	33	-1.0	-41.74	296.89	3.22	-38.52
C=C(C)CC(NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017045814	0	35	-1.0	-54.80	311.11	4.96	-49.84
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)OC)=C(C)S1)C(=O)[O-]	REAL300017045815	0	38	-1.0	-41.45	354.80	4.62	-36.83
C=C(C)CC(NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300017045816	0	39	-1.0	-52.75	337.66	6.35	-46.40
C=C(C)CC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300017045817	0	42	-1.0	-52.69	347.57	4.41	-48.28
C=C(C)CC(NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300017045818	0	41	-1.0	-50.52	339.92	3.69	-46.83
C=C(C)CC(NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300017045819	0	41	-1.0	-58.08	357.97	1.88	-56.20
C=C(C)CC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300017045820	0	35	-1.0	-57.73	341.46	0.89	-56.84
C=C(C)CC(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300017045821	0	46	-1.0	-42.66	360.28	5.29	-37.37
C=C(C)CC(NS(=O)(=O)C1=CC(F)=C(F)C=C1OC)C(=O)[O-]	REAL300017045822	0	36	-1.0	-53.38	322.47	4.46	-48.92
C=C(C)CC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300017045823	0	46	-1.0	-45.20	380.86	3.47	-41.73
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300017045824	0	38	-1.0	-44.20	343.79	5.84	-38.36
C=C(C)CC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300017045825	0	36	-1.0	-45.62	330.14	3.84	-41.78
C=C(C)CC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017045826	0	47	-1.0	-54.00	382.47	6.79	-47.21
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300017045827	0	33	-1.0	-41.96	312.16	2.69	-39.27
C=C(C)CC(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300017045828	0	43	-1.0	-52.85	359.64	6.58	-46.27
C=C(C)CC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300017045829	0	40	-1.0	-43.85	340.98	4.33	-39.52
C=C(C)CC(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300017045830	0	35	-1.0	-45.07	323.56	2.98	-42.09
C=C(C)CC(NS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300017045831	0	42	-1.0	-54.78	364.76	4.91	-49.87
C=C(C)CC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300017045834	0	42	-1.0	-50.45	364.59	5.37	-45.08
C=C(C)CC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300017045835	0	45	-1.0	-47.44	377.28	5.22	-42.22
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017045836	0	43	-1.0	-51.86	375.45	7.12	-44.74
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300017045837	0	35	-1.0	-58.70	300.66	5.07	-53.63
C=C(C)CC(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300017045838	0	38	-1.0	-41.29	346.32	5.98	-35.31
C=C(C)CC(NS(=O)(=O)C1=C(Cl)N(CC)N=C1)C(=O)[O-]	REAL300017045839	0	35	-1.0	-42.32	326.15	3.25	-39.07
C=C(C)CC(NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017045840	0	36	-1.0	-43.79	338.83	5.95	-37.84
C=C(C)CC(NS(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1)C(=O)[O-]	REAL300017045841	0	38	-1.0	-41.89	373.72	5.49	-36.40
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017045843	0	34	-1.0	-47.46	319.42	3.10	-44.36
C=C(C)CC(NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017045844	0	37	-1.0	-60.92	340.75	5.25	-55.67
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017045845	0	37	-1.0	-48.07	343.80	5.27	-42.80
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300017045846	0	41	-1.0	-48.66	349.26	7.16	-41.50
C=C(C)CC(NS(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300017045847	0	36	-1.0	-48.65	342.30	5.26	-43.39
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300017045848	0	39	-1.0	-55.80	345.71	4.59	-51.21
C=C(C)CC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300017045849	0	46	-1.0	-43.95	395.21	5.78	-38.17
C=C(C)CC(NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017045850	0	32	-1.0	-47.34	309.86	4.72	-42.62
C=C(C)CC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C(=O)[O-]	REAL300017045851	0	38	-1.0	-60.40	353.18	0.59	-59.81
C=C(C)CC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300017045852	0	42	-1.0	-54.02	360.89	5.51	-48.51
C=C(C)CC(NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300017045853	0	38	-1.0	-57.41	359.60	1.70	-55.71
C=C(C)CC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017045854	0	36	-1.0	-52.85	327.13	5.59	-47.26
C=C(C)CC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300017045855	0	36	-1.0	-43.11	344.09	6.07	-37.04
C=C(C)CC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300017045856	0	36	-1.0	-52.49	342.24	6.14	-46.35
C=C(C)CC(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300017045857	0	36	-1.0	-54.43	331.66	5.63	-48.80
C=C(C)CC(NS(=O)(=O)N1CCCCC1C(=O)OC)C(=O)[O-]	REAL300017045858	0	43	-1.0	-48.54	350.60	4.91	-43.63
C=C(C)CC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300017045859	0	54	-1.0	-55.33	417.64	8.36	-46.97
C=C(C)CC(NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017045860	0	35	-1.0	-56.71	333.14	5.02	-51.69
C=C(C)CC(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300017045861	0	43	-1.0	-54.43	363.58	5.29	-49.14
C=C(C)CC(NS(=O)(=O)C1=CC=C(C=CC(=O)OC)C=C1)C(=O)[O-]	REAL300017045862	0	42	-1.0	-54.94	374.56	6.12	-48.82
C=C(C)CC(NS(=O)(=O)C1=NNC(C(=O)OCC)=C1)C(=O)[O-]	REAL300017045863	0	38	-1.0	-53.24	348.34	2.18	-51.06
C=C(C)CC(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300017045864	0	37	-1.0	-57.22	325.95	1.67	-55.55
C=C(C)CC(NC(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C)C(=O)[O-]	REAL300017045865	0	49	-1.0	-57.34	355.58	9.12	-48.22
C=C(C)CC(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300017045866	0	44	-1.0	-54.13	343.55	4.67	-49.46
C=C(C)CC(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300017045867	0	43	-1.0	-39.83	359.17	5.89	-33.94
C=C(C)CC(NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300017045868	0	43	-1.0	-57.75	364.67	11.25	-46.50
C=C(C)CC(NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017045869	0	49	-1.0	-55.86	382.66	10.94	-44.92
C=C(C)CC(NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300017045870	0	50	-1.0	-54.69	390.55	7.24	-47.45
C=C(C)CC(NC(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300017045871	0	39	-1.0	-61.19	327.06	3.14	-58.05
C=C(C)CC(NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)C(=O)[O-]	REAL300017045872	0	51	-1.0	-54.47	403.59	7.77	-46.70
C=C(C)CC(NC(=O)N1CCOC(C(=O)OC)C1)C(=O)[O-]	REAL300017045873	0	40	-1.0	-53.80	333.92	5.58	-48.22
C=C(C)CC(NS(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300017045874	0	36	-1.0	-44.25	337.54	5.35	-38.90
C=C(C)CC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300017045875	0	36	-1.0	-57.24	327.83	4.39	-52.85
C=C(C)CC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300017045876	0	36	-1.0	-56.69	333.50	3.85	-52.84
C=C(C)CC(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300017045877	0	38	-1.0	-52.04	329.82	4.07	-47.97
C=C(C)CC(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300017045878	0	39	-1.0	-50.83	344.64	6.04	-44.79
C=C(C)CC(NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300017045879	0	35	-1.0	-59.92	308.50	5.19	-54.73
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300017045880	0	41	-1.0	-42.61	369.50	4.75	-37.86
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017045881	0	29	-1.0	-36.85	313.73	4.34	-32.51
C=C(C)CC(NS(=O)(=O)C1=C(Cl)N(C)N=C1)C(=O)[O-]	REAL300017045882	0	32	-1.0	-41.68	305.44	2.31	-39.37
C=C(C)CC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017045883	0	45	-1.0	-54.73	372.71	6.49	-48.24
C=C(C)CC(NS(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300017045884	0	49	-1.0	-53.67	406.15	6.13	-47.54
C=C(C)CC(NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300017045885	0	35	-1.0	-46.09	343.84	5.59	-40.50
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300017045886	0	37	-1.0	-55.33	340.56	4.90	-50.43
C=C(C)CC(NS(=O)(=O)N1CCC[C@H]1C(=O)OC)C(=O)[O-]	REAL300017045887	0	40	-1.0	-57.56	335.67	3.40	-54.16
C=C(C)CC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017045888	0	43	-1.0	-52.98	376.76	7.03	-45.95
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300017045889	0	38	-1.0	-65.52	316.44	5.41	-60.11
C=C(C)CC(NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300017045890	0	37	-1.0	-45.52	345.77	2.87	-42.65
C=C(C)CC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300017045891	0	33	-1.0	-43.81	318.84	3.12	-40.69
C=C(C)CC(NS(=O)(=O)C1=CC=NN1COC)C(=O)[O-]	REAL300017045892	0	36	-1.0	-53.16	313.35	0.07	-53.09
C=C(C)CC(NS(=O)(=O)C1=CN=C(Cl)C=C1C)C(=O)[O-]	REAL300017045893	0	34	-1.0	-39.00	312.30	3.64	-35.36
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CC(=C)C)C(=O)[O-])=C1	REAL300017045894	0	43	-1.0	-45.74	374.56	5.90	-39.84
C=C(C)CC(NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300017045895	0	42	-1.0	-47.94	367.91	4.96	-42.98
C=C(C)CC(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300017045896	0	36	-1.0	-64.26	321.07	3.52	-60.74
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300017045897	0	38	-1.0	-43.87	353.56	7.06	-36.81
C=C(C)CC(NS(=O)(=O)N1CCC(OC(C)=O)C1)C(=O)[O-]	REAL300017045898	0	40	-1.0	-54.75	342.88	3.23	-51.52
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017045899	0	42	-1.0	-43.38	379.56	8.17	-35.21
C=C(C)CC(NS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300017045900	0	38	-1.0	-50.46	345.76	6.24	-44.22
C=C(C)CC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300017045901	0	45	-1.0	-45.89	377.59	5.47	-40.42
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300017045902	0	29	-1.0	-49.74	298.13	3.76	-45.98
C=C(C)CC(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300017045903	0	46	-1.0	-46.62	395.08	4.64	-41.98
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300017045904	0	38	-1.0	-44.94	344.12	6.99	-37.95
C=C(C)CC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300017045905	0	40	-1.0	-47.87	338.72	1.96	-45.91
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300017045906	0	39	-1.0	-55.80	324.14	6.05	-49.75
C=C(C)CC(NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300017045907	0	43	-1.0	-41.69	343.29	4.38	-37.31
C=C(C)CC(NS(=O)(=O)N1CCC(COC(C)=O)CC1)C(=O)[O-]	REAL300017045908	0	46	-1.0	-57.14	380.13	4.95	-52.19
C=C(C)CC(NS(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC)C(=O)[O-]	REAL300017045909	0	46	-1.0	-43.21	395.25	5.03	-38.18
C=C(C)CC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300017045910	0	42	-1.0	-38.30	340.76	1.75	-36.55
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)N=C1C)C(=O)[O-]	REAL300017045911	0	38	-1.0	-41.87	325.57	1.45	-40.42
C=C(C)CC(NS(=O)(=O)C1=CC(C)=CN=C1OC)C(=O)[O-]	REAL300017045912	0	38	-1.0	-46.13	320.04	2.34	-43.79
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300017045913	0	47	-1.0	-52.66	388.66	4.64	-48.02
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300017045914	0	35	-1.0	-41.27	315.62	2.19	-39.08
C=C(C)CC(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300017045915	0	38	-1.0	-43.50	337.94	1.68	-41.82
C=C(C)CC(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300017045916	0	41	-1.0	-46.41	353.85	4.43	-41.98
C=C(C)CC(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300017045917	0	41	-1.0	-53.41	344.65	3.82	-49.59
C=C(C)CC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300017045918	0	31	-1.0	-48.19	308.67	2.72	-45.47
C=C(C)CC(NS(=O)(=O)C1=C(C#N)C=CS1)C(=O)[O-]	REAL300017045919	0	30	-1.0	-58.87	285.16	3.00	-55.87
C=C(C)CC(NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017045920	0	36	-1.0	-40.01	351.50	6.38	-33.63
C=C(C)CC(NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300017045921	0	38	-1.0	-44.12	325.98	3.48	-40.64
C=C(C)CC(NS(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300017045922	0	40	-1.0	-43.11	357.71	3.64	-39.47
C=C(C)CC(NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017045923	0	35	-1.0	-61.24	317.58	5.51	-55.73
C=C(C)CC(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300017045924	0	39	-1.0	-42.26	336.93	4.13	-38.13
C=C(C)CC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300017045925	0	39	-1.0	-57.72	335.29	4.91	-52.81
C=C(C)CC(NS(=O)(=O)CC1=CC(OC)=NO1)C(=O)[O-]	REAL300017045926	0	35	-1.0	-55.31	319.33	0.46	-54.85
C=C(C)CC(NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300017045927	0	37	-1.0	-64.12	319.45	4.50	-59.62
C=C(C)CC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300017045928	0	41	-1.0	-50.75	344.21	3.89	-46.86
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300017045929	0	39	-1.0	-41.26	348.22	6.42	-34.84
C=C(C)CC(NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300017045930	0	34	-1.0	-50.85	315.41	3.24	-47.61
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300017045931	0	46	-1.0	-52.19	396.96	7.76	-44.43
C=C(C)CC(NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300017045932	0	39	-1.0	-55.70	349.32	6.46	-49.24
C=C(C)CC(NC(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300017045933	0	39	-1.0	-56.04	322.46	7.55	-48.49
C=C(C)CC(NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C12)C(=O)[O-]	REAL300017045934	0	36	-1.0	-58.73	333.20	4.51	-54.22
C=C(C)CC(NC(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300017045935	0	34	-1.0	-52.13	297.23	7.36	-44.77
C=C(C)CC(NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300017045936	0	35	-1.0	-45.26	325.81	5.23	-40.03
C=C(C)CC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300017045937	0	40	-1.0	-49.68	343.37	-0.01	-49.69
C=C(C)CC(NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300017045938	0	39	-1.0	-39.81	300.12	2.18	-37.63
C=C(C)CC(NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300017045939	0	38	-1.0	-57.14	323.22	3.65	-53.49
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300017045941	0	39	-1.0	-61.39	341.79	6.39	-55.00
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl)C(=O)[O-]	REAL300017045942	0	35	-1.0	-50.63	328.02	5.67	-44.96
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300017045943	0	36	-1.0	-48.66	334.19	4.04	-44.62
C=C(C)CC(NS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017045944	0	39	-1.0	-54.75	349.39	5.21	-49.54
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300017045945	0	39	-1.0	-61.75	330.34	4.10	-57.65
C=C(C)CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300017045946	0	38	-1.0	-40.25	337.97	2.70	-37.55
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300017045947	0	40	-1.0	-62.71	339.09	5.78	-56.93
C=C(C)CC(NC(=O)N1CC(OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017045948	0	44	-1.0	-56.85	372.65	7.73	-49.12
C=C(C)CC(NC(=O)N1CC(NC(=O)OC(C)(C)C)C1)C(=O)[O-]	REAL300017045949	0	47	-1.0	-55.44	383.51	4.53	-50.91
C=C(C)CC(NC(=O)N1CCC(COC(C)=O)CC1)C(=O)[O-]	REAL300017045950	0	45	-1.0	-59.88	363.77	8.22	-51.66
C=C(C)CC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300017045951	0	35	-1.0	-38.69	321.43	3.98	-34.71
C=C(C)CC(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300017045953	0	45	-1.0	-47.33	377.24	6.45	-40.88
C=C(C)CC(NS(=O)(=O)C1=C(C)SC(Cl)=C1)C(=O)[O-]	REAL300017045954	0	32	-1.0	-53.35	306.56	4.66	-48.69
C=C(C)CC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300017045955	0	39	-1.0	-52.56	354.48	5.10	-47.46
C=C(C)CC(NS(=O)(=O)C1=C2CCCCN2N=C1)C(=O)[O-]	REAL300017045956	0	39	-1.0	-44.72	331.91	3.58	-41.14
CS(=O)(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300017045957	0	28	-1.0	-46.52	274.99	3.54	-42.98
CN(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300017045958	0	33	-1.0	-51.62	312.94	4.43	-47.19
CCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300017045959	0	34	-1.0	-53.67	324.33	5.67	-48.00
O=C([O-])C[C@H](NS(=O)(=O)C1CC1)C1=CC=CC(I)=C1	REAL300017045960	0	32	-1.0	-46.54	305.99	5.31	-41.23
CC(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300017045961	0	27	-1.0	-47.01	266.03	6.56	-40.45
COC(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300017045962	0	28	-1.0	-46.14	276.94	6.21	-39.93
O=C([O-])C[C@H](NC(=O)OCC1CC1)C1=CC=CC(I)=C1	REAL300017045963	0	35	-1.0	-46.58	330.21	8.84	-37.74
O=C([O-])C[C@H](NC(=O)OC1CCC1)C1=CC=CC(I)=C1	REAL300017045964	0	35	-1.0	-46.24	318.07	7.61	-38.63
O=C([O-])C[C@H](NC(=O)OCCCF)C1=CC=CC(I)=C1	REAL300017045965	0	34	-1.0	-46.08	326.90	8.08	-38.00
O=C([O-])C[C@H](NC(=O)C1CC1)C1=CC=CC(I)=C1	REAL300017045966	0	31	-1.0	-53.77	289.96	7.50	-46.27
CCC(C)OC(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300017045967	0	37	-1.0	-47.70	339.81	8.63	-39.07
C=CC(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300017045968	0	28	-1.0	-47.81	278.26	7.14	-40.67
CN(C)C(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300017045969	0	32	-1.0	-48.80	298.25	7.48	-41.32
CCN(CC)C(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300017045970	0	38	-1.0	-49.95	341.85	9.47	-40.48
CCN(C)C(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300017045971	0	35	-1.0	-49.00	320.06	8.48	-40.52
CC(C)N(C)C(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300017045972	0	38	-1.0	-49.48	336.25	8.99	-40.49
CCCN(C)C(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300017045973	0	38	-1.0	-49.05	341.56	9.24	-39.81
O=C([O-])C[C@H](NC(=O)N1CCC1)C1=CC=CC(I)=C1	REAL300017045974	0	33	-1.0	-57.08	302.94	7.10	-49.98
CN(C(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1)C1CC1	REAL300017045975	0	36	-1.0	-51.29	326.37	8.88	-42.41
O=C([O-])C[C@H](NC(=O)OCC(F)F)C1=CC=CC(I)=C1	REAL300017045976	0	31	-1.0	-48.81	311.83	7.45	-41.36
CC(=O)N(C)C(=O)N[C@@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300017045977	0	34	-1.0	-57.31	314.86	9.08	-48.23
CN1C=C(S(=O)(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C=N1	REAL300017045978	0	38	-1.0	-59.82	344.64	3.33	-56.49
CC1=CC=C(S(=O)(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C=C1	REAL300017045979	0	41	-1.0	-56.63	361.49	6.29	-50.34
CN(C)S(=O)(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300017045983	0	36	-1.0	-56.61	316.36	2.84	-53.77
N#CC1=CC=CC=C1CS(=O)(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300017045984	0	42	-1.0	-63.24	382.21	6.59	-56.65
O=C([O-])C1=CSC(C2CCN(S(=O)(=O)C=CC3=CC=CC=C3)CC2)=N1	REAL300017045985	0	42	-1.0	-57.22	371.54	6.82	-50.40
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300017045986	0	44	-1.0	-58.87	374.77	4.59	-54.28
CC1=NNC(C)=C1S(=O)(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300017045987	0	41	-1.0	-57.82	353.27	3.35	-54.47
O=C([O-])C1=CSC(C2CCN(S(=O)(=O)CC3=CC=CC=C3)CC2)=N1	REAL300017045988	0	41	-1.0	-59.99	363.88	6.36	-53.63
COC1=CC=C(S(=O)(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C=C1	REAL300017045989	0	42	-1.0	-57.38	369.60	4.91	-52.47
O=C([O-])C1=CSC(C2CCN(S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CC2)=N1	REAL300017045990	0	40	-1.0	-67.48	353.36	7.21	-60.27
CCOC1=CC=C(S(=O)(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C=C1	REAL300017045991	0	45	-1.0	-57.17	391.44	5.83	-51.34
O=C([O-])C1=CSC(C2CCN(S(=O)(=O)C3=CC=C(F)C=C3F)CC2)=N1	REAL300017045992	0	38	-1.0	-56.02	347.31	5.58	-50.44
O=C([O-])C1=CSC(C2CCN(S(=O)(=O)C3=CC=C(F)C=C3)CC2)=N1	REAL300017045993	0	38	-1.0	-56.39	346.50	5.68	-50.71
O=C([O-])C1=CSC(C2CCN(S(=O)(=O)C3=CC=CC(F)=C3)CC2)=N1	REAL300017045994	0	38	-1.0	-57.23	346.51	5.68	-51.55
CC1=CC(C)=C(S(=O)(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C(C)=C1	REAL300017045995	0	47	-1.0	-55.42	381.54	7.60	-47.82
O=C([O-])C1=CSC(C2CCN(S(=O)(=O)C3=CC=C(F)C(F)=C3)CC2)=N1	REAL300017045996	0	38	-1.0	-57.44	352.78	5.73	-51.71
CC1=CC=CC(S(=O)(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)=C1	REAL300017045997	0	41	-1.0	-56.81	361.03	6.31	-50.50
O=C([O-])C1=CSC(C2CCN(S(=O)(=O)C3=CC=CC=C3F)CC2)=N1	REAL300017045998	0	38	-1.0	-57.64	340.92	5.51	-52.13
O=C([O-])C1=CSC(C2CCN(S(=O)(=O)C3=CC=CC(Cl)=C3)CC2)=N1	REAL300017045999	0	38	-1.0	-56.73	356.83	6.13	-50.60
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C=C1	REAL300017046000	0	43	-1.0	-60.59	381.33	6.04	-54.55
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300017048853	0	40	-1.0	-56.64	335.71	5.52	-51.12
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300017048854	0	38	-1.0	-62.01	328.35	5.26	-56.75
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017048855	0	40	-1.0	-49.51	351.70	4.83	-44.68
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300017048856	0	46	-1.0	-55.60	369.45	5.54	-50.06
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300017048857	0	52	-1.0	-53.54	373.07	5.74	-47.80
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300017048858	0	42	-1.0	-53.50	348.42	5.42	-48.08
CC[C@@H](C)[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017048859	0	42	-1.0	-67.50	350.01	5.99	-61.51
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300017048860	0	45	-1.0	-55.54	364.06	2.64	-52.90
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300017048861	0	48	-1.0	-44.76	405.54	5.29	-39.47
CCCN1C=NC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017048862	0	40	-1.0	-63.12	333.91	4.88	-58.24
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017048863	0	35	-1.0	-37.60	329.96	5.09	-32.51
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C#N)SC=C1)C(=O)[O-]	REAL300017048864	0	32	-1.0	-55.44	297.70	3.51	-51.93
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1CCC(F)CC1)C(=O)[O-]	REAL300017048865	0	43	-1.0	-58.40	335.00	5.28	-53.12
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017048866	0	37	-1.0	-51.11	320.85	5.19	-45.92
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300017048867	0	40	-1.0	-66.36	334.18	5.06	-61.30
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300017048868	0	43	-1.0	-54.89	371.58	5.56	-49.33
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017048869	0	40	-1.0	-52.22	361.69	5.32	-46.90
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300017048870	0	43	-1.0	-59.51	367.80	5.48	-54.03
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017048871	0	40	-1.0	-56.46	343.58	5.89	-50.57
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017048872	0	37	-1.0	-55.98	328.86	5.35	-50.63
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300017048873	0	34	-1.0	-49.15	323.41	5.22	-43.93
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017048874	0	41	-1.0	-60.55	342.02	1.52	-59.03
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C1	REAL300017048875	0	59	-1.0	-53.45	465.70	9.02	-44.43
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300017048876	0	49	-1.0	-55.96	395.23	6.44	-49.52
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC(CC)CC1)C(=O)[O-]	REAL300017048877	0	45	-1.0	-53.93	343.17	4.52	-49.41
CC[C@@H](C)[C@@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017048878	0	40	-1.0	-55.92	336.90	5.67	-50.25
CC[C@@H](C)[C@@H](NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300017048879	0	40	-1.0	-59.93	336.77	5.62	-54.31
CC[C@@H](C)[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017048880	0	40	-1.0	-58.10	343.16	5.97	-52.13
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300017048881	0	38	-1.0	-41.86	342.16	4.64	-37.22
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300017048882	0	49	-1.0	-51.08	391.28	3.05	-48.03
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300017048883	0	45	-1.0	-60.03	376.64	4.56	-55.47
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300017048884	0	41	-1.0	-55.86	360.52	6.73	-49.13
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-]	REAL300017048885	0	43	-1.0	-53.82	334.89	2.17	-51.65
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017048886	0	37	-1.0	-55.21	332.09	5.45	-49.76
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017048887	0	47	-1.0	-54.29	375.41	5.76	-48.53
CC[C@@H](C)[C@@H](NS(=O)(=O)CC(C)CC(F)(F)F)C(=O)[O-]	REAL300017048888	0	39	-1.0	-58.83	321.15	4.29	-54.54
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C(=O)[O-]	REAL300017048889	0	41	-1.0	-55.99	353.21	5.98	-50.01
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300017048890	0	46	-1.0	-59.93	380.18	4.04	-55.89
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1OC)C(=O)[O-]	REAL300017048891	0	38	-1.0	-54.28	321.95	3.99	-50.29
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017048892	0	40	-1.0	-54.05	344.03	3.52	-50.53
CCC1=NC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=CN1CC1CC1	REAL300017048893	0	47	-1.0	-64.25	386.00	6.08	-58.17
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300017048894	0	45	-1.0	-58.71	369.12	4.60	-54.11
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300017048895	0	37	-1.0	-52.11	325.98	3.63	-48.48
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300017048896	0	37	-1.0	-65.29	336.05	3.95	-61.34
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C1C(C)C	REAL300017048897	0	53	-1.0	-54.15	416.84	7.15	-47.00
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017048898	0	42	-1.0	-51.21	350.38	6.61	-44.60
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300017048899	0	41	-1.0	-51.39	330.15	3.87	-47.52
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300017048900	0	47	-1.0	-51.41	387.84	6.45	-44.96
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300017048901	0	48	-1.0	-56.77	402.86	7.45	-49.32
CC[C@@H](C)[C@@H](NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300017048902	0	44	-1.0	-56.09	367.77	5.20	-50.89
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300017048903	0	46	-1.0	-55.77	370.24	5.50	-50.27
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300017048904	0	42	-1.0	-52.87	366.38	2.93	-49.94
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300017048905	0	46	-1.0	-56.47	378.39	7.00	-49.47
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300017048906	0	45	-1.0	-54.94	371.08	3.28	-51.66
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1(C(F)F)CCCC1)C(=O)[O-]	REAL300017048907	0	43	-1.0	-55.66	332.02	5.47	-50.19
CCOC1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)CCOCC1	REAL300017048908	0	48	-1.0	-59.08	363.54	2.83	-56.25
CCOC(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C1CC1	REAL300017048909	0	44	-1.0	-59.07	349.99	4.38	-54.69
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017048910	0	40	-1.0	-52.39	351.36	4.88	-47.51
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300017048911	0	45	-1.0	-56.15	380.59	5.88	-50.27
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300017048912	0	37	-1.0	-48.19	328.47	2.74	-45.45
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017048913	0	45	-1.0	-57.46	386.71	8.18	-49.28
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300017048914	0	37	-1.0	-52.25	328.23	5.70	-46.55
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300017048915	0	37	-1.0	-55.10	321.94	5.45	-49.65
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C(=O)OC)C(=O)[O-]	REAL300017048916	0	40	-1.0	-57.51	345.43	5.36	-52.15
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300017048917	0	42	-1.0	-54.27	344.27	1.86	-52.41
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300017048918	0	38	-1.0	-53.24	336.87	4.01	-49.23
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300017048919	0	40	-1.0	-50.10	340.86	4.84	-45.26
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300017048920	0	40	-1.0	-56.18	339.97	6.05	-50.13
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300017048921	0	41	-1.0	-51.93	345.88	1.73	-50.20
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)N(CC2CC2)N=C1C)C(=O)[O-]	REAL300017048922	0	47	-1.0	-55.49	373.16	5.47	-50.02
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300017048923	0	41	-1.0	-59.42	350.43	4.63	-54.79
CC[C@@H](C)[C@@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017048924	0	42	-1.0	-58.82	359.42	6.26	-52.56
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300017048925	0	34	-1.0	-51.22	312.39	4.75	-46.47
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300017048926	0	37	-1.0	-55.04	320.71	4.91	-50.13
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300017048927	0	41	-1.0	-66.03	350.73	1.95	-64.08
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC)C(=O)[O-]	REAL300017048928	0	43	-1.0	-59.01	361.25	5.06	-53.95
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017048929	0	37	-1.0	-52.35	319.88	5.55	-46.80
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300017048930	0	41	-1.0	-54.05	333.64	4.26	-49.79
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300017048931	0	38	-1.0	-50.80	335.29	4.07	-46.73
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017048932	0	37	-1.0	-49.42	351.44	1.23	-48.19
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300017048933	0	37	-1.0	-53.30	330.08	3.18	-50.12
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300017048934	0	45	-1.0	-54.42	363.53	5.34	-49.08
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017048935	0	42	-1.0	-57.09	365.05	0.86	-56.23
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300017048936	0	45	-1.0	-55.90	386.50	1.75	-54.15
CCC(=O)NCC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=CC=C1OC	REAL300017048937	0	51	-1.0	-61.10	416.95	3.25	-57.85
CCC1=CC=C(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C1	REAL300017048938	0	43	-1.0	-57.54	351.87	6.25	-51.29
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300017048939	0	38	-1.0	-55.97	332.52	4.18	-51.79
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300017048940	0	49	-1.0	-52.88	399.85	4.53	-48.35
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300017048941	0	43	-1.0	-58.90	368.27	2.51	-56.39
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300017048942	0	36	-1.0	-50.28	333.64	4.00	-46.28
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300017048943	0	39	-1.0	-49.75	344.39	5.21	-44.54
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300017048944	0	39	-1.0	-47.45	338.04	5.14	-42.31
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300017048945	0	35	-1.0	-50.47	328.19	5.08	-45.39
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C1Br	REAL300017048946	0	41	-1.0	-55.19	357.86	4.97	-50.22
CC[C@@H](C)[C@@H](NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017048947	0	48	-1.0	-60.62	402.47	3.54	-57.08
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017048948	0	37	-1.0	-60.76	320.32	4.86	-55.90
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017048949	0	47	-1.0	-54.01	398.30	5.73	-48.28
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300017048950	0	43	-1.0	-52.53	332.22	2.28	-50.25
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300017048951	0	44	-1.0	-53.73	359.68	4.97	-48.76
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300017048952	0	50	-1.0	-53.91	397.98	6.41	-47.50
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300017048953	0	48	-1.0	-53.54	379.48	6.29	-47.25
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300017048954	0	47	-1.0	-53.61	378.31	5.82	-47.79
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C1	REAL300017048955	0	44	-1.0	-53.61	358.21	5.12	-48.49
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300017048956	0	38	-1.0	-55.61	331.61	3.93	-51.68
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017048957	0	38	-1.0	-53.60	340.65	4.21	-49.39
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300017048958	0	41	-1.0	-54.65	334.91	4.14	-50.51
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300017048959	0	47	-1.0	-53.72	375.40	5.68	-48.04
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300017048960	0	41	-1.0	-54.52	330.71	4.34	-50.18
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300017048961	0	45	-1.0	-56.23	370.33	3.59	-52.64
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCCOC)C(C)=C1)C(=O)[O-]	REAL300017048962	0	48	-1.0	-56.26	390.39	4.33	-51.93
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300017048963	0	37	-1.0	-58.01	315.02	4.83	-53.18
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017048964	0	45	-1.0	-59.33	376.10	3.76	-55.57
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300017048965	0	49	-1.0	-53.70	390.02	3.54	-50.16
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017048966	0	44	-1.0	-59.85	358.25	3.94	-55.91
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300017048967	0	37	-1.0	-54.32	325.15	5.54	-48.78
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300017048968	0	40	-1.0	-45.42	360.08	2.27	-43.15
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017048969	0	40	-1.0	-59.09	347.35	6.16	-52.93
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300017048970	0	35	-1.0	-52.72	322.29	4.88	-47.84
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300017048971	0	37	-1.0	-51.85	322.53	5.66	-46.19
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300017048972	0	42	-1.0	-58.81	336.58	7.02	-51.79
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl)C(=O)[O-]	REAL300017048973	0	40	-1.0	-44.72	354.08	5.40	-39.32
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300017048974	0	43	-1.0	-65.57	362.04	2.57	-63.00
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300017048975	0	38	-1.0	-51.20	331.78	6.05	-45.15
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300017048976	0	35	-1.0	-53.39	321.59	4.89	-48.50
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300017048977	0	50	-1.0	-57.93	396.57	5.81	-52.12
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300017048978	0	46	-1.0	-55.59	394.36	1.94	-53.65
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300017048979	0	42	-1.0	-57.89	362.70	0.26	-57.63
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(CCNC(C)=O)S1)C(=O)[O-]	REAL300017048980	0	44	-1.0	-63.75	382.92	3.05	-60.70
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017048981	0	37	-1.0	-54.70	326.84	2.93	-51.77
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300017048982	0	36	-1.0	-52.70	311.52	2.71	-49.99
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017048983	1	36	-1.0	-64.31	312.69	5.85	-58.46
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300017048984	0	37	-1.0	-55.91	343.16	5.81	-50.10
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C(C)N1	REAL300017048985	0	47	-1.0	-57.98	379.21	4.71	-53.27
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017048986	0	34	-1.0	-59.27	303.60	4.99	-54.28
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300017048987	0	40	-1.0	-54.83	366.25	4.67	-50.16
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300017048988	0	54	-1.0	-52.67	420.00	7.72	-44.95
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017048989	0	44	-1.0	-57.95	383.33	3.66	-54.29
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C)C(=O)[O-]	REAL300017048990	0	43	-1.0	-62.75	355.95	5.70	-57.05
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017048991	0	36	-1.0	-53.20	321.29	6.12	-47.08
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300017048992	0	42	-1.0	-46.68	351.14	3.45	-43.23
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300017048993	0	45	-1.0	-57.33	360.62	4.24	-53.09
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017048994	1	36	-1.0	-52.81	333.07	6.82	-45.99
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300017048995	0	42	-1.0	-51.40	344.78	5.44	-45.96
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300017048996	0	37	-1.0	-59.52	324.08	4.94	-54.58
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300017048997	0	39	-1.0	-55.38	328.08	0.27	-55.11
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300017048998	0	37	-1.0	-51.97	317.97	5.55	-46.42
CCOC(=O)C1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	REAL300017048999	0	45	-1.0	-57.56	359.21	4.38	-53.18
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300017049000	0	42	-1.0	-55.39	350.02	1.76	-53.63
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017049148	0	37	-1.0	-57.19	319.56	5.03	-52.16
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017049149	0	37	-1.0	-50.11	341.90	5.62	-44.49
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017049150	0	37	-1.0	-49.58	330.81	5.21	-44.37
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300017049151	0	37	-1.0	-51.71	328.81	5.37	-46.34
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	REAL300017049152	0	45	-1.0	-60.12	350.95	1.98	-58.14
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300017049153	0	38	-1.0	-58.68	322.61	5.24	-53.44
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017049154	0	45	-1.0	-63.77	356.80	3.71	-60.06
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017049155	0	46	-1.0	-56.17	377.70	4.12	-52.05
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017049156	0	40	-1.0	-47.66	349.64	4.92	-42.74
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017049157	0	44	-1.0	-50.49	377.02	3.40	-47.09
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300017049158	0	44	-1.0	-55.11	370.27	4.59	-50.52
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300017049159	0	37	-1.0	-52.70	328.94	5.70	-47.00
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017049160	0	42	-1.0	-61.23	346.20	6.22	-55.01
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017049161	0	42	-1.0	-62.80	348.87	5.36	-57.44
CC[C@@H](C)[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017049162	0	40	-1.0	-62.87	329.20	0.54	-62.33
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017049163	0	44	-1.0	-57.32	366.30	5.00	-52.32
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017049164	0	39	-1.0	-55.49	334.37	4.27	-51.22
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017049165	0	38	-1.0	-56.88	322.58	3.62	-53.26
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C(C)=C1	REAL300017049166	0	44	-1.0	-54.14	352.57	5.27	-48.87
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300017049167	0	42	-1.0	-61.31	362.00	0.27	-61.04
CC[C@@H](C)[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-]	REAL300017049168	0	36	-1.0	-63.02	312.71	-0.65	-63.67
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300017049169	0	43	-1.0	-59.77	358.35	5.84	-53.93
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017049170	0	38	-1.0	-56.84	325.30	4.19	-52.65
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300017049171	0	38	-1.0	-52.94	325.62	5.12	-47.82
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C1	REAL300017049172	0	46	-1.0	-53.57	384.19	6.47	-47.10
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C1	REAL300017049173	0	44	-1.0	-62.55	362.72	3.79	-58.76
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017049174	0	40	-1.0	-59.84	348.42	5.79	-54.05
CC[C@@H](C)[C@@H](NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300017049175	0	45	-1.0	-56.34	353.28	5.80	-50.54
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300017049176	0	40	-1.0	-62.16	330.65	4.11	-58.05
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017049177	0	33	-1.0	-47.87	311.66	3.30	-44.57
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017049178	0	40	-1.0	-48.52	329.96	3.85	-44.67
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300017049179	0	39	-1.0	-55.17	322.70	4.60	-50.57
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017049180	0	46	-1.0	-56.69	380.30	6.13	-50.56
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017049181	0	34	-1.0	-45.90	295.78	4.25	-41.65
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017049182	0	34	-1.0	-42.67	313.78	4.86	-37.81
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017049183	0	40	-1.0	-51.11	339.82	5.62	-45.49
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017049184	0	40	-1.0	-56.60	357.24	5.11	-51.49
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300017049185	0	42	-1.0	-51.60	352.41	3.80	-47.80
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017049186	0	37	-1.0	-55.21	336.31	5.45	-49.76
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300017049187	0	38	-1.0	-53.94	325.87	1.04	-52.90
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017049188	0	43	-1.0	-56.35	366.89	6.94	-49.41
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300017049189	0	41	-1.0	-56.05	341.17	3.81	-52.24
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017049190	0	36	-1.0	-55.75	331.97	5.55	-50.20
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300017049191	0	43	-1.0	-60.35	382.56	5.36	-54.99
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017049192	0	40	-1.0	-59.50	337.02	5.71	-53.79
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017049193	0	37	-1.0	-56.41	322.47	5.27	-51.14
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017049194	0	46	-1.0	-70.08	381.90	2.61	-67.47
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017049195	0	41	-1.0	-56.53	355.70	4.59	-51.94
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017049196	0	34	-1.0	-40.56	320.67	5.37	-35.19
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017049197	0	42	-1.0	-49.99	355.78	1.48	-48.51
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=CC=C1F	REAL300017049228	0	43	-1.0	-53.80	366.57	5.70	-48.10
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017049229	0	42	-1.0	-55.56	350.83	4.82	-50.74
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017049230	0	34	-1.0	-39.62	301.77	4.71	-34.91
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	REAL300017049231	0	53	-1.0	-64.70	417.90	7.33	-57.37
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017049232	0	37	-1.0	-56.97	336.03	5.72	-51.25
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017049233	0	35	-1.0	-51.10	321.13	5.11	-45.99
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300017049234	0	41	-1.0	-51.99	362.05	3.74	-48.25
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017049235	0	42	-1.0	-54.19	343.01	4.68	-49.51
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017049236	0	38	-1.0	-40.51	341.04	4.52	-35.99
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	REAL300017049237	0	46	-1.0	-53.57	341.44	7.31	-46.26
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300017049238	0	46	-1.0	-60.72	373.83	3.10	-57.62
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300017049239	0	37	-1.0	-59.26	332.96	3.79	-55.47
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017049240	0	43	-1.0	-59.89	370.35	6.64	-53.25
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017049241	0	45	-1.0	-53.44	390.77	7.46	-45.98
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017049242	0	40	-1.0	-58.12	350.84	5.04	-53.08
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017049243	0	40	-1.0	-56.21	367.56	5.56	-50.65
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300017049244	0	43	-1.0	-54.28	351.34	5.48	-48.80
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017049245	0	36	-1.0	-52.03	335.62	5.38	-46.65
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300017049246	0	38	-1.0	-49.52	343.34	4.80	-44.72
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300017049247	0	46	-1.0	-55.73	361.90	4.65	-51.08
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)CC1	REAL300017049248	0	48	-1.0	-59.24	372.21	3.67	-55.57
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300017049249	0	43	-1.0	-56.50	362.47	3.16	-53.34
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017049250	0	33	-1.0	-47.40	313.24	3.17	-44.23
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017049251	0	37	-1.0	-58.17	317.06	4.52	-53.65
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300017049252	0	37	-1.0	-51.66	311.41	2.75	-48.91
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300017049253	0	38	-1.0	-58.19	309.42	3.28	-54.91
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017049254	0	42	-1.0	-55.27	339.81	4.72	-50.55
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300017049255	0	38	-1.0	-43.48	324.82	3.94	-39.54
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300017049256	0	43	-1.0	-59.46	366.57	7.12	-52.34
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300017049257	0	43	-1.0	-59.23	363.04	5.53	-53.70
CC[C@@H](C)[C@@H](NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017049258	0	41	-1.0	-57.88	325.89	5.73	-52.15
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300017049259	0	44	-1.0	-53.07	368.78	5.89	-47.18
CC[C@@H](C)[C@@H](NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017049260	0	52	-1.0	-57.48	426.32	6.20	-51.28
CC[C@@H](C)[C@@H](NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017049261	0	52	-1.0	-50.54	427.68	6.29	-44.25
CC[C@@H](C)[C@@H](NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017049262	0	49	-1.0	-58.04	409.61	5.35	-52.69
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300017049263	0	36	-1.0	-49.62	325.39	4.50	-45.12
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017049264	0	45	-1.0	-66.31	365.88	5.22	-61.09
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017049265	0	34	-1.0	-52.15	318.57	5.32	-46.83
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017049266	0	34	-1.0	-51.07	321.51	5.17	-45.90
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300017049267	0	44	-1.0	-59.29	347.14	5.89	-53.40
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(C)=C1)C(=O)[O-]	REAL300017049268	0	38	-1.0	-51.60	325.33	4.99	-46.61
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300017049269	0	40	-1.0	-55.78	344.68	4.78	-51.00
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300017049270	0	38	-1.0	-43.21	328.51	4.49	-38.72
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1C)C(=O)[O-]	REAL300017049271	0	41	-1.0	-59.65	331.41	4.34	-55.31
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017049272	0	35	-1.0	-52.64	326.57	4.97	-47.67
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300017049273	0	41	-1.0	-56.90	348.27	4.77	-52.13
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300017049274	0	40	-1.0	-51.20	362.24	4.77	-46.43
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1)C(=O)[O-]	REAL300017049275	0	41	-1.0	-56.46	347.27	3.11	-53.35
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017049276	0	42	-1.0	-44.66	358.69	3.98	-40.68
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017049277	0	38	-1.0	-53.99	330.84	3.74	-50.25
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017049278	0	37	-1.0	-47.67	329.71	5.16	-42.51
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300017049279	0	45	-1.0	-56.90	377.45	1.18	-55.72
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=CC=C2S1	REAL300017049280	0	46	-1.0	-52.73	399.96	7.14	-45.59
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300017049281	0	38	-1.0	-62.21	328.34	5.25	-56.96
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300017049282	0	38	-1.0	-52.44	332.49	4.18	-48.26
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017049283	0	39	-1.0	-60.27	342.22	-0.31	-60.58
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300017049284	0	40	-1.0	-56.61	328.78	3.59	-53.02
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300017049285	0	40	-1.0	-51.91	338.41	5.24	-46.67
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017049286	0	34	-1.0	-50.17	317.09	5.22	-44.95
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300017049287	0	40	-1.0	-50.02	320.51	5.79	-44.23
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017049288	0	34	-1.0	-52.42	319.77	5.40	-47.02
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300017049289	0	44	-1.0	-45.83	362.48	1.21	-44.62
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300017049290	0	32	-1.0	-52.11	298.31	3.67	-48.44
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017049291	0	35	-1.0	-56.81	312.03	2.44	-54.37
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300017049292	0	37	-1.0	-52.73	310.01	1.56	-51.17
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017049293	0	34	-1.0	-44.09	310.09	4.78	-39.31
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300017049294	0	44	-1.0	-54.89	368.15	4.80	-50.09
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017049295	0	38	-1.0	-61.70	337.34	1.38	-60.32
CCOC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017049296	0	41	-1.0	-54.81	337.46	4.31	-50.50
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300017049297	0	45	-1.0	-60.14	365.79	5.32	-54.82
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300017049298	0	38	-1.0	-48.72	342.05	5.28	-43.44
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300017049336	0	35	-1.0	-54.94	320.74	4.85	-50.09
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1C)C(=O)[O-]	REAL300017049337	0	38	-1.0	-58.67	322.69	5.43	-53.24
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017049338	0	48	-1.0	-58.51	388.79	3.55	-54.96
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017049339	0	42	-1.0	-50.95	359.16	5.23	-45.72
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017049340	0	39	-1.0	-49.62	330.33	5.27	-44.35
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300017049341	0	37	-1.0	-54.92	325.17	5.54	-49.38
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017049342	0	37	-1.0	-54.48	326.47	2.89	-51.59
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300017049343	0	45	-1.0	-59.64	374.65	4.85	-54.79
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300017049344	0	36	-1.0	-53.01	318.14	3.58	-49.43
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300017049345	0	44	-1.0	-59.49	353.69	4.33	-55.16
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300017049346	0	35	-1.0	-61.82	306.39	2.27	-59.55
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017049347	0	44	-1.0	-63.58	360.99	3.87	-59.71
CC[C@@H](C)[C@@H](NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-]	REAL300017049348	0	36	-1.0	-58.40	310.20	3.74	-54.66
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300017049349	0	39	-1.0	-58.46	332.34	4.16	-54.30
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2)C(=O)[O-]	REAL300017049350	0	40	-1.0	-56.40	333.19	1.73	-54.67
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300017049351	0	46	-1.0	-55.09	359.61	4.65	-50.44
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300017049352	0	36	-1.0	-51.53	320.88	3.31	-48.22
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300017049353	0	37	-1.0	-44.01	320.78	5.41	-38.60
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300017049354	0	42	-1.0	-63.26	337.62	4.66	-58.60
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017049355	0	36	-1.0	-48.98	316.81	3.31	-45.67
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300017049356	0	40	-1.0	-55.16	337.43	3.14	-52.02
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017049357	0	33	-1.0	-55.70	307.60	3.86	-51.84
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017049358	0	43	-1.0	-55.37	359.82	5.77	-49.60
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1C#N)C(=O)[O-]	REAL300017049359	0	38	-1.0	-58.01	324.51	4.95	-53.06
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300017049360	0	42	-1.0	-56.51	344.36	2.70	-53.81
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300017049361	0	35	-1.0	-40.37	320.14	5.14	-35.23
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300017049362	0	40	-1.0	-59.16	334.31	5.43	-53.73
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017049363	0	42	-1.0	-67.99	337.91	6.02	-61.97
CCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C1CC	REAL300017049364	0	46	-1.0	-54.89	363.16	6.65	-48.24
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300017049365	0	42	-1.0	-46.39	343.33	6.45	-39.94
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300017049366	0	37	-1.0	-55.22	319.09	5.30	-49.92
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017049367	0	40	-1.0	-56.43	346.10	3.66	-52.77
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300017049368	0	37	-1.0	-55.68	320.46	4.53	-51.15
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)C=CC=C1F)C(=O)[O-]	REAL300017049369	0	37	-1.0	-60.65	306.04	5.10	-55.55
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300017049370	0	35	-1.0	-51.44	309.44	2.01	-49.43
CCC1=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)S1	REAL300017049371	0	36	-1.0	-51.76	316.30	2.72	-49.04
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300017049372	0	40	-1.0	-60.56	335.33	5.61	-54.95
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300017049373	0	36	-1.0	-55.07	319.05	3.01	-52.06
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017049374	1	36	-1.0	-60.00	316.62	2.25	-57.75
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300017049375	0	40	-1.0	-51.42	333.13	5.43	-45.99
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300017049376	0	42	-1.0	-61.40	345.68	2.54	-58.86
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-]	REAL300017049377	0	45	-1.0	-54.03	348.11	2.03	-52.00
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017049378	0	41	-1.0	-55.36	348.02	4.20	-51.16
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300017049379	0	33	-1.0	-49.56	297.19	2.78	-46.78
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1F)C(=O)[O-]	REAL300017049380	0	37	-1.0	-56.10	313.09	4.85	-51.25
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300017049381	0	45	-1.0	-57.02	368.67	5.92	-51.10
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017049382	0	37	-1.0	-58.73	331.75	5.34	-53.39
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017049383	0	37	-1.0	-57.60	331.58	5.37	-52.23
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017049384	0	34	-1.0	-59.41	300.02	4.84	-54.57
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300017049385	0	37	-1.0	-51.72	313.92	4.82	-46.90
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300017049386	0	37	-1.0	-47.91	327.01	2.06	-45.85
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300017049387	0	38	-1.0	-60.60	335.87	5.21	-55.39
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300017049388	0	39	-1.0	-50.24	336.14	2.92	-47.32
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017049389	0	33	-1.0	-54.84	300.78	3.42	-51.42
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300017049390	0	41	-1.0	-55.03	340.42	3.83	-51.20
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300017049391	0	39	-1.0	-54.55	335.61	4.34	-50.21
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017049392	0	40	-1.0	-55.46	356.89	5.26	-50.20
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C(=O)[O-]	REAL300017049393	0	37	-1.0	-40.71	331.30	2.25	-38.46
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=N1	REAL300017049394	0	40	-1.0	-51.71	334.42	1.69	-50.02
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017049395	0	43	-1.0	-66.66	371.11	2.29	-64.37
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017049396	0	41	-1.0	-63.62	347.10	3.10	-60.52
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017049397	0	48	-1.0	-66.07	377.73	5.67	-60.40
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300017049398	0	37	-1.0	-46.48	313.51	2.81	-43.67
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300017049399	0	40	-1.0	-51.30	340.40	6.07	-45.23
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300017049400	0	44	-1.0	-48.09	372.47	1.50	-46.59
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300017049401	0	51	-1.0	-57.65	397.89	6.01	-51.64
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017049402	0	43	-1.0	-55.86	370.31	5.55	-50.31
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300017049403	0	43	-1.0	-42.65	355.60	6.57	-36.08
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300017049404	0	37	-1.0	-54.22	323.82	5.49	-48.73
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017049405	0	37	-1.0	-53.19	328.05	6.16	-47.03
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1)C(=O)[O-]	REAL300017049406	0	48	-1.0	-60.17	397.61	2.28	-57.89
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017049407	0	47	-1.0	-48.91	391.76	5.53	-43.38
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=CC=C1C	REAL300017049408	0	46	-1.0	-52.48	378.77	6.20	-46.28
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017049409	0	46	-1.0	-60.14	384.19	6.46	-53.68
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC)C(=O)[O-]	REAL300017049410	0	45	-1.0	-55.59	382.84	3.90	-51.69
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C(F)C=C1C	REAL300017049411	0	46	-1.0	-43.37	382.90	6.34	-37.03
CC[C@@H](C)[C@@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017049412	0	40	-1.0	-55.20	347.22	6.11	-49.09
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017049413	0	43	-1.0	-46.30	369.11	5.81	-40.49
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017049414	0	44	-1.0	-55.64	360.29	7.50	-48.14
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C1	REAL300017049415	0	48	-1.0	-57.09	405.24	1.87	-55.22
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017049416	0	37	-1.0	-56.12	325.70	5.38	-50.74
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=CN1C	REAL300017049417	0	46	-1.0	-53.61	388.87	5.31	-48.30
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017049418	0	38	-1.0	-58.50	331.26	5.02	-53.48
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017049419	0	37	-1.0	-55.90	319.54	5.03	-50.87
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300017049420	0	36	-1.0	-49.68	315.26	3.55	-46.13
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017049421	0	37	-1.0	-62.48	327.91	3.56	-58.92
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017049422	0	35	-1.0	-47.85	309.53	2.93	-44.92
CC[C@@H](C)[C@@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	REAL300017049423	0	42	-1.0	-53.58	334.14	4.02	-49.56
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C(=O)[O-]	REAL300017049424	0	47	-1.0	-54.96	379.31	4.97	-49.99
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300017049425	0	40	-1.0	-51.59	346.79	4.87	-46.72
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300017049426	0	45	-1.0	-51.17	381.22	3.53	-47.64
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300017049427	0	49	-1.0	-52.69	399.02	6.91	-45.78
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C1	REAL300017049428	0	46	-1.0	-57.82	389.03	3.31	-54.51
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-]	REAL300017049429	0	46	-1.0	-62.51	359.95	5.18	-57.33
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300017049430	0	41	-1.0	-52.96	357.91	4.32	-48.64
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017049431	0	40	-1.0	-50.18	339.82	5.61	-44.57
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300017049432	0	45	-1.0	-53.47	391.48	7.45	-46.02
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300017049433	0	43	-1.0	-60.94	363.06	5.52	-55.42
CC[C@@H](C)[C@@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300017049434	0	44	-1.0	-58.18	334.49	5.47	-52.71
CC[C@@H](C)[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300017049435	0	40	-1.0	-57.82	346.68	6.04	-51.78
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	REAL300017049436	0	43	-1.0	-62.48	348.57	4.46	-58.02
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300017049437	0	34	-1.0	-51.32	318.65	4.32	-47.00
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017049438	0	47	-1.0	-55.54	395.23	4.46	-51.08
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017049439	0	50	-1.0	-55.53	417.81	5.38	-50.15
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCCCC1)C(=O)[O-]	REAL300017049440	0	49	-1.0	-61.99	372.45	5.58	-56.41
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017049441	0	42	-1.0	-61.84	354.12	5.15	-56.69
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017049442	1	36	-1.0	-66.41	310.67	2.97	-63.44
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300017049443	0	38	-1.0	-56.47	320.28	4.11	-52.36
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300017049444	0	47	-1.0	-60.50	385.87	7.92	-52.58
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017049445	0	37	-1.0	-55.31	340.63	5.82	-49.49
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300017049446	0	37	-1.0	-56.04	332.22	5.38	-50.66
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300017049447	0	38	-1.0	-62.02	332.77	4.29	-57.73
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300017049448	0	44	-1.0	-57.00	360.49	6.40	-50.60
CC[C@@H](C)[C@@H](NS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300017049449	0	46	-1.0	-56.03	349.51	5.55	-50.48
CC[C@@H](C)[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017049450	0	38	-1.0	-55.20	333.45	5.74	-49.46
CC[C@@H](C)[C@@H](NS(=O)(=O)CCCC(C)(F)F)C(=O)[O-]	REAL300017049451	0	39	-1.0	-60.50	324.69	4.27	-56.23
CC[C@@H](C)[C@@H](NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300017049452	0	43	-1.0	-58.65	352.70	6.36	-52.29
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300017049454	0	38	-1.0	-60.30	327.76	-0.29	-60.59
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	REAL300017049458	0	43	-1.0	-56.92	341.00	6.65	-50.27
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300017049459	0	43	-1.0	-61.98	347.35	4.82	-57.16
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300017049460	0	34	-1.0	-51.66	300.88	4.32	-47.34
CC[C@@H](C)[C@@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017049461	0	40	-1.0	-56.04	337.61	5.65	-50.39
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017049462	0	50	-1.0	-56.65	401.80	6.91	-49.74
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300017049463	0	39	-1.0	-57.32	322.78	4.68	-52.64
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300017049464	0	54	-1.0	-61.17	411.89	6.53	-54.64
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300017049465	0	41	-1.0	-60.76	347.45	4.32	-56.44
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300017049466	0	48	-1.0	-55.20	381.66	4.15	-51.05
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300017049467	0	49	-1.0	-66.13	396.74	6.74	-59.39
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C21	REAL300017049468	0	48	-1.0	-75.59	386.16	6.03	-69.56
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300017049469	0	41	-1.0	-55.06	336.09	3.79	-51.27
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300017049470	0	41	-1.0	-50.89	332.04	4.10	-46.79
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300017049471	0	44	-1.0	-49.78	355.29	4.75	-45.03
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300017049479	0	40	-1.0	-53.49	353.11	5.04	-48.45
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300017049480	0	40	-1.0	-53.97	336.81	1.31	-52.66
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017049481	1	31	-1.0	-54.30	287.96	2.87	-51.43
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300017049482	0	41	-1.0	-56.12	325.69	3.88	-52.24
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1)C(=O)[O-]	REAL300017049483	0	38	-1.0	-49.38	331.95	3.63	-45.75
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C=C1F)C(=O)[O-]	REAL300017049484	0	38	-1.0	-42.46	325.18	3.57	-38.89
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C1C(C)C	REAL300017049485	0	59	-1.0	-54.05	459.84	8.71	-45.34
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300017049486	0	50	-1.0	-56.94	387.86	6.13	-50.81
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300017049487	0	44	-1.0	-58.61	362.48	5.50	-53.11
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300017049488	0	37	-1.0	-52.46	306.82	4.67	-47.79
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300017049489	0	42	-1.0	-59.58	344.75	4.72	-54.86
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017049490	0	42	-1.0	-52.37	355.64	3.78	-48.59
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300017049491	0	42	-1.0	-56.68	354.32	6.30	-50.38
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300017049492	0	38	-1.0	-56.51	321.07	4.71	-51.80
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300017049493	0	37	-1.0	-54.66	327.74	5.39	-49.27
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br)C(=O)[O-]	REAL300017049494	0	37	-1.0	-55.41	331.23	6.09	-49.32
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300017049495	0	51	-1.0	-73.58	394.55	6.05	-67.53
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300017049496	0	40	-1.0	-58.45	336.15	4.60	-53.85
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C)C(=O)[O-]	REAL300017049497	0	48	-1.0	-65.38	385.62	5.72	-59.66
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CSC=C1Cl)C(=O)[O-]	REAL300017049498	0	31	-1.0	-51.74	292.05	3.58	-48.16
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300017049499	0	34	-1.0	-48.05	308.10	2.25	-45.80
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017049500	0	36	-1.0	-49.24	320.03	3.23	-46.01
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300017049501	0	39	-1.0	-63.62	324.36	3.63	-59.99
CC[C@@H](C)[C@@H](NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300017049502	0	43	-1.0	-53.99	330.48	4.00	-49.99
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300017049503	0	38	-1.0	-53.92	342.26	4.70	-49.22
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300017049504	0	35	-1.0	-50.72	300.84	2.87	-47.85
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300017049505	0	37	-1.0	-56.96	325.52	5.56	-51.40
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CNC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300017049506	0	38	-1.0	-53.54	341.59	4.70	-48.84
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300017049507	0	37	-1.0	-65.88	331.49	3.84	-62.04
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300017049508	0	41	-1.0	-48.59	333.98	3.78	-44.81
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300017049509	0	43	-1.0	-50.53	336.89	6.31	-44.22
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300017049510	0	42	-1.0	-55.93	345.33	3.91	-52.02
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300017049511	0	43	-1.0	-65.04	354.41	1.30	-63.74
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300017049512	0	35	-1.0	-53.00	325.87	4.99	-48.01
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300017049513	0	37	-1.0	-53.94	316.32	4.42	-49.52
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(F)C=CC(OC)=C1OC)C(=O)[O-]	REAL300017049514	0	42	-1.0	-59.73	343.63	4.43	-55.30
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300017049515	1	37	-1.0	-51.87	345.94	3.52	-48.35
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300017049516	0	47	-1.0	-54.15	375.65	5.02	-49.13
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300017049517	0	38	-1.0	-55.34	334.38	5.97	-49.37
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300017049519	0	41	-1.0	-54.67	344.56	3.99	-50.68
CC[C@@H](C)[C@@H](NC(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017049520	0	36	-1.0	-55.01	319.60	7.98	-47.03
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300017049521	0	38	-1.0	-54.25	324.60	3.67	-50.58
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300017049522	0	38	-1.0	-55.64	341.65	4.73	-50.91
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017049523	0	37	-1.0	-59.89	314.10	3.25	-56.64
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300017049524	0	39	-1.0	-62.39	331.09	2.54	-59.85
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300017049526	0	40	-1.0	-56.25	341.44	6.23	-50.02
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300017049527	0	45	-1.0	-53.24	330.64	4.13	-49.11
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300017049528	0	40	-1.0	-50.35	354.80	5.27	-45.08
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300017049529	0	37	-1.0	-53.52	320.27	4.52	-49.00
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300017049530	0	44	-1.0	-54.34	359.73	4.49	-49.85
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300017049531	0	52	-1.0	-58.24	399.55	8.03	-50.21
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300017049532	0	40	-1.0	-51.17	356.60	5.97	-45.20
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Cl)SC=C1)C(=O)[O-]	REAL300017049533	0	31	-1.0	-41.01	292.70	3.72	-37.29
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300017049534	0	44	-1.0	-52.42	360.77	4.74	-47.68
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300017049535	0	38	-1.0	-56.60	322.79	5.31	-51.29
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300017049536	0	45	-1.0	-43.85	382.22	6.99	-36.86
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300017049537	0	47	-1.0	-61.02	375.16	2.50	-58.52
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017049538	0	43	-1.0	-69.26	348.98	5.34	-63.92
CCCC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017049539	0	43	-1.0	-54.97	350.49	6.30	-48.67
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=NN1C)C(=O)[O-]	REAL300017049540	0	40	-1.0	-53.56	343.17	2.46	-51.10
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300017049541	0	35	-1.0	-55.98	311.75	4.51	-51.47
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300017049542	0	41	-1.0	-51.93	330.08	3.57	-48.36
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017049543	0	38	-1.0	-48.11	341.83	5.44	-42.67
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1)C(=O)[O-]	REAL300017049544	0	46	-1.0	-56.11	385.99	7.00	-49.11
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300017049545	0	43	-1.0	-51.24	333.39	4.10	-47.14
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300017049546	0	43	-1.0	-52.86	351.35	3.82	-49.04
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300017049547	0	41	-1.0	-52.86	336.76	3.17	-49.69
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017049548	0	39	-1.0	-47.72	336.37	3.91	-43.81
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017049549	0	37	-1.0	-49.48	330.86	5.17	-44.31
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(CF)C=C1)C(=O)[O-]	REAL300017049550	0	37	-1.0	-54.72	313.35	4.91	-49.81
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300017049551	0	34	-1.0	-52.74	308.27	4.64	-48.10
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017049552	0	34	-1.0	-48.90	318.10	4.21	-44.69
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300017049553	0	39	-1.0	-52.09	313.91	3.29	-48.80
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017049554	0	37	-1.0	-47.58	337.29	5.52	-42.06
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300017049555	0	37	-1.0	-53.55	307.14	5.45	-48.10
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017049556	0	45	-1.0	-59.15	369.96	6.13	-53.02
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300017049557	0	45	-1.0	-56.71	356.93	7.17	-49.54
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300017049558	0	44	-1.0	-55.40	365.58	5.78	-49.62
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300017049559	0	40	-1.0	-52.19	349.04	5.17	-47.02
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017049560	0	40	-1.0	-53.51	327.25	4.49	-49.02
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300017049561	0	39	-1.0	-43.44	345.73	4.64	-38.80
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1)C(=O)[O-]	REAL300017049562	0	43	-1.0	-61.22	360.28	4.05	-57.17
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300017049563	0	34	-1.0	-52.72	305.91	4.51	-48.21
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300017049564	0	41	-1.0	-54.12	334.61	6.20	-47.92
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300017049565	0	35	-1.0	-43.65	306.20	2.61	-41.04
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017049566	0	37	-1.0	-53.17	316.99	5.71	-47.46
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)S1)C(=O)[O-]	REAL300017049567	0	40	-1.0	-51.74	351.67	4.43	-47.31
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300017049568	0	41	-1.0	-46.69	341.58	6.35	-40.34
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300017049569	0	44	-1.0	-50.00	346.74	4.55	-45.45
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	REAL300017049570	0	43	-1.0	-49.39	340.22	3.76	-45.63
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300017049571	0	43	-1.0	-63.27	357.29	1.60	-61.67
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300017049572	0	37	-1.0	-59.73	340.79	0.61	-59.12
CC[C@@H](C)[C@@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300017049573	0	48	-1.0	-53.45	352.46	5.01	-48.44
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1OC)C(=O)[O-]	REAL300017049574	0	38	-1.0	-41.98	327.85	4.09	-37.89
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300017049575	0	48	-1.0	-54.25	382.36	3.21	-51.04
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300017049576	0	40	-1.0	-53.15	339.32	5.62	-47.53
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300017049577	0	38	-1.0	-53.92	324.64	3.68	-50.24
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017049578	0	49	-1.0	-54.35	379.88	6.63	-47.72
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300017049579	0	35	-1.0	-53.30	309.84	2.57	-50.73
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300017049580	0	45	-1.0	-68.25	358.66	6.47	-61.78
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300017049581	0	42	-1.0	-54.12	340.85	4.19	-49.93
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300017049582	0	37	-1.0	-55.55	319.62	2.80	-52.75
CCOCC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017049583	0	44	-1.0	-56.02	363.03	4.77	-51.25
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300017049586	0	44	-1.0	-52.00	366.51	5.29	-46.71
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300017049587	0	47	-1.0	-54.79	373.30	5.04	-49.75
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017049588	0	45	-1.0	-53.56	374.74	6.94	-46.62
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300017049589	0	37	-1.0	-55.72	308.17	5.02	-50.70
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300017049590	0	40	-1.0	-51.31	343.08	5.84	-45.47
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Cl)N(CC)N=C1)C(=O)[O-]	REAL300017049591	0	37	-1.0	-52.75	329.01	3.04	-49.71
CC[C@@H](C)[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017049592	0	38	-1.0	-54.98	337.47	5.83	-49.15
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1)C(=O)[O-]	REAL300017049593	0	40	-1.0	-52.40	371.03	5.34	-47.06
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017049595	0	36	-1.0	-44.04	325.39	3.37	-40.67
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017049596	0	39	-1.0	-62.09	343.04	5.32	-56.77
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017049597	0	39	-1.0	-57.99	339.73	5.14	-52.85
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300017049598	0	43	-1.0	-58.32	345.31	7.03	-51.29
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300017049599	0	38	-1.0	-62.72	336.44	5.06	-57.66
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300017049600	0	41	-1.0	-56.52	343.29	4.46	-52.06
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300017049601	0	48	-1.0	-53.32	389.49	5.59	-47.73
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017049602	0	34	-1.0	-42.90	314.46	4.79	-38.11
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C(=O)[O-]	REAL300017049603	0	40	-1.0	-61.98	350.21	0.44	-61.54
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300017049604	0	44	-1.0	-55.86	361.01	5.63	-50.23
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300017049605	0	40	-1.0	-57.93	355.18	1.77	-56.16
CC[C@@H](C)[C@@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017049606	0	38	-1.0	-53.89	324.90	5.39	-48.50
CC[C@@H](C)[C@@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300017049607	0	38	-1.0	-53.74	340.50	5.93	-47.81
CC[C@@H](C)[C@@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300017049608	0	38	-1.0	-53.33	339.78	5.95	-47.38
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300017049609	0	38	-1.0	-55.69	330.59	5.43	-50.26
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCCCC1C(=O)OC)C(=O)[O-]	REAL300017049610	0	45	-1.0	-58.70	349.22	4.75	-53.95
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300017049611	0	56	-1.0	-56.22	415.78	8.26	-47.96
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017049612	0	37	-1.0	-50.14	331.52	4.90	-45.24
CC[C@@H](C)[C@@H](NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300017049613	0	45	-1.0	-55.74	360.90	5.14	-50.60
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C=CC(=O)OC)C=C1)C(=O)[O-]	REAL300017049614	0	44	-1.0	-56.50	372.01	5.99	-50.51
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=NN1	REAL300017049615	0	40	-1.0	-54.02	346.78	1.93	-52.09
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300017049616	0	39	-1.0	-58.26	337.18	2.01	-56.25
CC[C@@H](C)[C@@H](NC(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C)C(=O)[O-]	REAL300017049617	0	51	-1.0	-56.44	353.26	8.89	-47.55
CC[C@@H](C)[C@@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300017049618	0	46	-1.0	-53.93	344.70	4.50	-49.43
CC[C@@H](C)[C@@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300017049619	0	45	-1.0	-54.50	363.57	5.93	-48.57
CC[C@@H](C)[C@@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300017049620	0	45	-1.0	-61.33	360.93	11.11	-50.22
CC[C@@H](C)[C@@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017049621	0	51	-1.0	-57.35	381.99	10.54	-46.81
CC[C@@H](C)[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300017049622	0	52	-1.0	-54.96	386.49	7.07	-47.89
CC[C@@H](C)[C@@H](NC(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300017049623	0	44	-1.0	-58.11	339.03	6.90	-51.21
CC[C@@H](C)[C@@H](NC(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300017049624	0	41	-1.0	-62.41	324.06	2.95	-59.46
CC[C@@H](C)[C@@H](NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)C(=O)[O-]	REAL300017049625	0	53	-1.0	-60.01	400.48	7.56	-52.45
CC[C@@H](C)[C@@H](NC(=O)N1CCOC(C(=O)OC)C1)C(=O)[O-]	REAL300017049626	0	42	-1.0	-55.60	330.58	5.35	-50.25
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300017049627	0	38	-1.0	-55.42	334.56	5.29	-50.13
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300017049628	0	38	-1.0	-58.37	331.72	4.45	-53.92
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300017049629	0	38	-1.0	-57.53	331.53	3.73	-53.80
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300017049630	0	40	-1.0	-53.34	329.24	4.07	-49.27
CC[C@@H](C)[C@@H](NC(=O)N1CCC(OC(C)=O)CC1)C(=O)[O-]	REAL300017049631	0	44	-1.0	-56.48	339.47	7.18	-49.30
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300017049632	0	41	-1.0	-57.76	339.03	5.85	-51.91
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300017049633	0	37	-1.0	-53.61	316.62	5.65	-47.96
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300017049634	0	43	-1.0	-52.63	364.97	4.59	-48.04
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017049635	0	31	-1.0	-48.11	311.92	4.21	-43.90
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Cl)N(C)N=C1)C(=O)[O-]	REAL300017049636	0	34	-1.0	-43.08	306.66	2.23	-40.85
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017049637	0	47	-1.0	-52.60	376.98	6.40	-46.20
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300017049638	0	51	-1.0	-53.51	403.76	6.00	-47.51
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300017049639	0	37	-1.0	-53.36	340.90	5.46	-47.90
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300017049640	0	39	-1.0	-56.53	338.73	4.76	-51.77
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OC)C(=O)[O-]	REAL300017049641	0	42	-1.0	-57.80	337.33	3.46	-54.34
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017049642	0	45	-1.0	-58.77	376.51	7.01	-51.76
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300017049643	0	40	-1.0	-62.89	323.74	6.12	-56.77
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300017049644	0	39	-1.0	-52.94	340.98	2.67	-50.27
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300017049645	0	35	-1.0	-44.62	325.23	2.88	-41.74
CC[C@@H](C)[C@@H](NC(=O)N1CCCC(OC(C)=O)C1)C(=O)[O-]	REAL300017049646	0	44	-1.0	-64.55	340.33	7.14	-57.41
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=NN1COC)C(=O)[O-]	REAL300017049647	0	38	-1.0	-49.75	312.85	0.65	-49.10
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C(Cl)C=C1C)C(=O)[O-]	REAL300017049648	0	36	-1.0	-52.81	314.35	3.64	-49.17
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017049649	0	45	-1.0	-55.10	369.74	5.71	-49.39
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300017049650	0	44	-1.0	-54.71	366.41	4.85	-49.86
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300017049651	0	38	-1.0	-64.79	324.82	3.50	-61.29
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300017049652	0	40	-1.0	-53.87	348.67	6.86	-47.01
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC(OC(C)=O)C1)C(=O)[O-]	REAL300017049653	0	42	-1.0	-54.97	343.86	3.23	-51.74
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017049654	0	44	-1.0	-53.69	376.97	8.02	-45.67
CCC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=CC=C1Br	REAL300017049655	0	40	-1.0	-51.15	344.43	5.97	-45.18
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300017049656	0	47	-1.0	-50.35	372.86	5.28	-45.07
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300017049657	0	31	-1.0	-50.35	294.95	3.64	-46.71
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300017049658	0	48	-1.0	-45.60	388.34	4.48	-41.12
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300017049659	0	40	-1.0	-55.01	345.38	7.00	-48.01
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300017049660	0	42	-1.0	-51.14	334.14	1.72	-49.42
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300017049661	0	41	-1.0	-57.85	330.44	6.36	-51.49
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300017049662	0	45	-1.0	-53.07	336.08	4.07	-49.00
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC(COC(C)=O)CC1)C(=O)[O-]	REAL300017049663	0	48	-1.0	-57.34	379.60	4.75	-52.59
CC[C@@H](C)[C@@H](NS(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC)C(=O)[O-]	REAL300017049664	0	48	-1.0	-63.93	394.49	4.71	-59.22
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300017049665	0	44	-1.0	-55.06	348.53	1.87	-53.19
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC)N=C1C)C(=O)[O-]	REAL300017049666	0	40	-1.0	-51.75	329.39	1.72	-50.03
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=CN=C1OC)C(=O)[O-]	REAL300017049667	0	40	-1.0	-46.99	331.78	1.98	-45.01
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300017049668	0	49	-1.0	-54.50	387.24	4.47	-50.03
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300017049669	0	37	-1.0	-52.35	329.28	1.80	-50.55
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300017049670	0	40	-1.0	-50.69	332.75	1.52	-49.17
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300017049671	0	43	-1.0	-55.70	349.17	4.26	-51.44
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300017049672	0	43	-1.0	-53.31	352.34	3.82	-49.49
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300017049673	0	33	-1.0	-55.27	311.86	2.35	-52.92
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C#N)C=CS1)C(=O)[O-]	REAL300017049674	0	32	-1.0	-60.22	296.10	3.32	-56.90
CC[C@@H](C)[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017049675	0	38	-1.0	-52.27	349.45	6.26	-46.01
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300017049676	0	40	-1.0	-50.65	328.53	3.39	-47.26
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300017049677	0	42	-1.0	-49.78	352.21	3.47	-46.31
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017049678	0	37	-1.0	-58.63	324.67	6.02	-52.61
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300017049679	0	41	-1.0	-52.92	335.74	3.93	-48.99
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300017049680	0	41	-1.0	-51.50	341.20	5.37	-46.13
CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC(OC)=NO1)C(=O)[O-]	REAL300017049681	0	37	-1.0	-57.74	317.64	0.36	-57.38
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300017049682	0	39	-1.0	-64.73	320.60	4.47	-60.26
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300017049683	0	43	-1.0	-58.35	350.49	3.94	-54.41
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300017049684	0	41	-1.0	-55.75	345.96	6.27	-49.48
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300017049685	0	36	-1.0	-52.51	313.50	3.10	-49.41
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300017049686	0	48	-1.0	-53.32	394.95	7.65	-45.67
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300017049687	0	41	-1.0	-56.39	347.57	6.32	-50.07
CC[C@@H](C)[C@@H](NC(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300017049688	0	41	-1.0	-54.63	321.84	7.19	-47.44
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300017049689	0	38	-1.0	-53.94	337.70	4.59	-49.35
CC[C@@H](C)[C@@H](NC(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300017049690	0	36	-1.0	-53.13	297.08	6.84	-46.29
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300017049691	0	37	-1.0	-46.82	324.64	5.10	-41.72
CC[C@@H](C)[C@@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300017049692	0	42	-1.0	-61.69	341.34	-0.15	-61.84
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300017049693	0	41	-1.0	-53.25	318.01	2.23	-51.02
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300017049694	0	40	-1.0	-58.07	324.32	3.54	-54.53
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300017049696	0	41	-1.0	-60.08	342.02	6.48	-53.60
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl)C(=O)[O-]	REAL300017049697	0	37	-1.0	-42.62	329.48	5.70	-36.92
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300017049698	0	38	-1.0	-49.72	338.02	4.00	-45.72
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017049699	0	41	-1.0	-55.47	347.77	4.96	-50.51
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300017049700	0	41	-1.0	-58.72	335.70	4.87	-53.85
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300017049701	0	40	-1.0	-42.13	349.46	2.33	-39.80
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300017049702	0	42	-1.0	-53.46	344.61	5.35	-48.11
CC[C@@H](C)[C@@H](NC(=O)N1CC(OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017049703	0	46	-1.0	-58.15	369.52	7.52	-50.63
CC[C@@H](C)[C@@H](NC(=O)N1CC(NC(=O)OC(C)(C)C)C1)C(=O)[O-]	REAL300017049704	0	49	-1.0	-60.41	381.09	4.29	-56.12
CC[C@@H](C)[C@@H](NC(=O)N1CCC(COC(C)=O)CC1)C(=O)[O-]	REAL300017049705	0	47	-1.0	-60.73	360.81	7.90	-52.83
CC[C@@H](C)[C@@H](NC(=O)N1CCCC(C(=O)OC)C1)C(=O)[O-]	REAL300017049706	0	44	-1.0	-56.69	338.53	6.94	-49.75
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300017049707	0	37	-1.0	-51.54	314.61	3.66	-47.88
CC[C@@H](C)[C@@H](NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300017049709	0	36	-1.0	-51.32	300.87	2.51	-48.81
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300017049710	0	47	-1.0	-59.68	377.49	6.09	-53.59
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)SC(Cl)=C1)C(=O)[O-]	REAL300017049711	0	34	-1.0	-53.25	312.26	4.59	-48.66
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300017049712	0	41	-1.0	-53.55	358.91	5.10	-48.45
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C2CCCCN2N=C1)C(=O)[O-]	REAL300017049713	0	41	-1.0	-58.09	331.43	3.50	-54.59
CN1C=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=N1	REAL300017049714	0	39	-1.0	-57.90	351.29	1.42	-56.48
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049716	0	42	-1.0	-49.04	362.08	4.42	-44.62
O=C([O-])C(CNS(=O)(=O)C1=CC(F)=CC(Cl)=C1)CC1=CC=CC(O)=C1	REAL300017049717	0	39	-1.0	-47.44	360.33	4.26	-43.18
CN(C)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049729	0	37	-1.0	-52.63	323.26	0.85	-51.78
N#CC1=CC=CC=C1CS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049730	0	43	-1.0	-57.48	378.15	4.56	-52.92
O=C([O-])C(CNS(=O)(=O)C1=CC=C2OCCOC2=C1)CC1=CC=CC(O)=C1	REAL300017049731	0	45	-1.0	-52.93	381.68	2.83	-50.10
O=C([O-])C(CNS(=O)(=O)C=CC1=CC=CC=C1)CC1=CC=CC(O)=C1	REAL300017049732	0	43	-1.0	-52.66	369.10	4.85	-47.81
CN1C=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C(=O)N(C)C1=O	REAL300017049733	0	45	-1.0	-57.37	383.77	2.69	-54.68
CC1=NN(C)C(C)=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049734	0	45	-1.0	-51.97	374.81	2.75	-49.22
CC1=NNC(C)=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049735	0	42	-1.0	-55.15	362.95	1.55	-53.60
O=C([O-])C(CNS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)CC1=CC=CC(O)=C1	REAL300017049736	0	42	-1.0	-58.36	378.48	1.22	-57.14
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC=C1)CC1=CC=CC(O)=C1	REAL300017049737	0	42	-1.0	-49.55	359.69	4.34	-45.21
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049738	0	43	-1.0	-49.07	370.16	3.05	-46.02
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])CC1=CC=CC(O)=C1	REAL300017049739	0	41	-1.0	-60.65	352.58	5.09	-55.56
CCOC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049740	0	46	-1.0	-54.93	397.48	3.95	-50.98
O=C([O-])C(CNS(=O)(=O)C1=CC=C(F)C=C1F)CC1=CC=CC(O)=C1	REAL300017049741	0	39	-1.0	-46.46	340.60	3.44	-43.02
O=C([O-])C(CNS(=O)(=O)C1=CC=C(F)C=C1)CC1=CC=CC(O)=C1	REAL300017049742	0	39	-1.0	-46.08	347.08	3.81	-42.27
O=C([O-])C(CNS(=O)(=O)C1=CC=CC(F)=C1)CC1=CC=CC(O)=C1	REAL300017049743	0	39	-1.0	-51.12	343.59	3.74	-47.38
CC1=CC(C)=C(C)C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1C	REAL300017049744	0	51	-1.0	-51.44	401.46	6.46	-44.98
CC1=CC(C)=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C(C)=C1	REAL300017049745	0	48	-1.0	-55.71	390.84	5.74	-49.97
O=C([O-])C(CNS(=O)(=O)C1=CC=C(F)C(F)=C1)CC1=CC=CC(O)=C1	REAL300017049746	0	39	-1.0	-53.49	359.44	3.84	-49.65
CC1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049747	0	42	-1.0	-52.52	358.59	4.34	-48.18
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=C1F)CC1=CC=CC(O)=C1	REAL300017049748	0	39	-1.0	-60.24	345.07	3.47	-56.77
O=C([O-])C(CNS(=O)(=O)C1=CC=CC(Cl)=C1)CC1=CC=CC(O)=C1	REAL300017049749	0	39	-1.0	-50.73	353.92	4.19	-46.54
CC(=O)C1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049750	0	44	-1.0	-52.37	381.91	4.16	-48.21
CC1=CC=C(C)C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049751	0	45	-1.0	-53.91	382.26	5.29	-48.62
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1C	REAL300017049752	0	45	-1.0	-52.64	375.60	4.88	-47.76
C=CCCCS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049753	0	42	-1.0	-47.61	355.59	3.44	-44.17
N#CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1F	REAL300017049754	0	40	-1.0	-54.94	373.44	4.15	-50.79
O=C([O-])C(CNS(=O)(=O)CCC1CCOCC1)CC1=CC=CC(O)=C1	REAL300017049755	0	49	-1.0	-48.29	393.12	2.90	-45.39
CC1=CC(C)=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])S1	REAL300017049756	0	42	-1.0	-47.75	365.55	4.24	-43.51
O=C([O-])C(CNS(=O)(=O)CC1=CC=C(C(F)F)C=C1)CC1=CC=CC(O)=C1	REAL300017049757	0	45	-1.0	-63.48	402.69	5.30	-58.18
CC1=CC=CC(C)=C1CS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049758	0	48	-1.0	-54.75	399.86	5.66	-49.09
O=C([O-])C(CNS(=O)(=O)C1=C(F)C=CS1)CC1=CC=CC(O)=C1	REAL300017049759	0	36	-1.0	-60.15	340.87	2.62	-57.53
O=C([O-])C(CNS(=O)(=O)CCC1CCOC1)CC1=CC=CC(O)=C1	REAL300017049760	0	46	-1.0	-57.14	376.49	2.16	-54.98
COC(CS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300017049761	0	49	-1.0	-61.19	422.19	4.77	-56.42
O=C([O-])C(CNS(=O)(=O)CC1CCCCC1(F)F)CC1=CC=CC(O)=C1	REAL300017049762	0	48	-1.0	-53.05	390.25	4.81	-48.24
O=C([O-])C(CNS(=O)(=O)CCOCC1=CC=CC=C1)CC1=CC=CC(O)=C1	REAL300017049763	0	49	-1.0	-49.61	415.22	4.39	-45.22
O=C([O-])C(CNS(=O)(=O)CC1CC(F)(F)C1)CC1=CC=CC(O)=C1	REAL300017049764	0	42	-1.0	-53.90	371.43	3.67	-50.23
O=C([O-])C(CNS(=O)(=O)C1=CC=C(C2CC2)C=C1)CC1=CC=CC(O)=C1	REAL300017049765	0	46	-1.0	-51.60	386.42	5.78	-45.82
O=C([O-])C(CNS(=O)(=O)C1=CC=C(OC2CC2)C=C1)CC1=CC=CC(O)=C1	REAL300017049766	0	47	-1.0	-54.64	406.67	4.69	-49.95
O=C([O-])C(CNS(=O)(=O)C1=CC=C(F)C(Cl)=C1)CC1=CC=CC(O)=C1	REAL300017049767	0	39	-1.0	-53.24	369.33	4.29	-48.95
CC(=O)C1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049768	0	44	-1.0	-64.76	388.00	4.12	-60.64
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C(C)=C1	REAL300017049769	0	45	-1.0	-52.60	373.35	5.23	-47.37
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CC(C)C1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049771	0	48	-1.0	-48.41	400.90	5.68	-42.73
CCC(C)C1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049772	0	51	-1.0	-48.84	414.62	6.21	-42.63
O=C([O-])C(CNS(=O)(=O)C1=CC=C(Cl)S1)CC1=CC=CC(O)=C1	REAL300017049773	0	36	-1.0	-48.67	346.17	3.30	-45.37
CCCC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049774	0	48	-1.0	-54.35	410.53	5.94	-48.41
COC1=CC=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049775	0	43	-1.0	-57.57	366.68	3.55	-54.02
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O=C([O-])C(CNS(=O)(=O)C1=C(F)C=CC=C1F)CC1=CC=CC(O)=C1	REAL300017049778	1	39	-1.0	-58.15	354.66	3.99	-54.16
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N#CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049781	0	40	-1.0	-47.14	361.49	4.14	-43.00
O=C([O-])C(CNS(=O)(=O)C1=CC=C(Cl)C=C1F)CC1=CC=CC(O)=C1	REAL300017049782	0	39	-1.0	-46.51	350.94	3.89	-42.62
N#CC1=CC=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049783	0	40	-1.0	-57.27	351.74	3.47	-53.80
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017049784	0	44	-1.0	-59.52	390.36	4.92	-54.60
O=C([O-])C(CNS(=O)(=O)C1=CC=C2CCCCC2=C1)CC1=CC=CC(O)=C1	REAL300017049785	0	49	-1.0	-57.24	409.45	6.20	-51.04
COC1=CC=C(OC)C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049786	0	47	-1.0	-57.56	387.18	2.78	-54.78
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1OC	REAL300017049787	0	47	-1.0	-52.56	395.91	2.88	-49.68
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CC1=NOC(C)=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049789	0	41	-1.0	-47.40	350.37	2.64	-44.76
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C(OC)=C1	REAL300017049790	0	47	-1.0	-51.88	385.90	2.74	-49.14
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CC=C2CC1)CC1=CC=CC(O)=C1	REAL300017049791	0	47	-1.0	-49.08	395.16	6.15	-42.93
CCC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049792	0	45	-1.0	-54.54	389.03	5.17	-49.37
O=C([O-])C(CNS(=O)(=O)C1=CC(F)=CC=C1F)CC1=CC=CC(O)=C1	REAL300017049793	0	39	-1.0	-48.10	340.62	3.44	-44.66
COC1=CC=C(C)C=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049794	0	46	-1.0	-61.42	388.68	4.21	-57.21
O=C([O-])C(CNS(=O)(=O)C1=CC=C2NC(=O)NC2=C1)CC1=CC=CC(O)=C1	REAL300017049795	0	43	-1.0	-55.72	381.89	0.54	-55.18
O=C([O-])C(CNS(=O)(=O)C1=CC=C2NC(=O)CC2=C1)CC1=CC=CC(O)=C1	REAL300017049796	0	44	-1.0	-56.04	388.25	2.18	-53.86
O=C([O-])C(CNS(=O)(=O)C1=CC=C(Cl)C=C1)CC1=CC=CC(O)=C1	REAL300017049797	0	39	-1.0	-52.31	362.87	4.24	-48.07
O=C([O-])C(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)CC1=CC=CC(O)=C1	REAL300017049798	0	41	-1.0	-52.67	374.36	4.40	-48.27
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)CC1=CC=CC(O)=C1	REAL300017049799	0	45	-1.0	-51.08	381.90	5.90	-45.18
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=C1)CC1=CC=CC(O)=C1	REAL300017049800	0	39	-1.0	-49.08	340.67	3.75	-45.33
CC(=O)NC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049801	0	46	-1.0	-61.56	402.20	2.61	-58.95
O=C([O-])C(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)CC1=CC=CC(O)=C1	REAL300017049802	0	41	-1.0	-58.08	374.96	4.39	-53.69
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049803	0	44	-1.0	-44.77	378.87	5.19	-39.58
O=C([O-])C(CNS(=O)(=O)C1=CC=CS1)CC1=CC=CC(O)=C1	REAL300017049804	0	36	-1.0	-51.91	329.12	2.68	-49.23
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)CC1=CC=CC(O)=C1	REAL300017049805	0	42	-1.0	-48.08	372.11	4.07	-44.01
O=C([O-])C(CNS(=O)(=O)C1=C2OC=CC2=CC=C1)CC1=CC=CC(O)=C1	REAL300017049806	0	42	-1.0	-53.42	358.00	3.81	-49.61
O=C([O-])C(CNS(=O)(=O)CCC1CCCC1)CC1=CC=CC(O)=C1	REAL300017049807	0	48	-1.0	-55.16	386.74	4.76	-50.40
O=C([O-])C(CNS(=O)(=O)CCC1CCCCC1)CC1=CC=CC(O)=C1	REAL300017049808	0	51	-1.0	-55.00	403.23	5.34	-49.66
O=C([O-])C(CNS(=O)(=O)C1=CNN=C1Cl)CC1=CC=CC(O)=C1	REAL300017049809	0	36	-1.0	-52.02	327.13	0.10	-51.92
CC1=CC2=CC=C(S(=O)(=O)NCC(CC3=CC=CC(O)=C3)C(=O)[O-])C=C2C=C1	REAL300017049810	0	48	-1.0	-56.52	413.43	6.66	-49.86
O=C([O-])C(CNS(=O)(=O)C1=C(Cl)C=CS1)CC1=CC=CC(O)=C1	REAL300017049811	0	36	-1.0	-53.40	341.02	2.99	-50.41
CC1=CSC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049812	0	39	-1.0	-47.88	349.51	3.28	-44.60
O=C([O-])C(CNS(=O)(=O)C1=CC=C2CCOC2=C1)CC1=CC=CC(O)=C1	REAL300017049813	0	44	-1.0	-53.74	372.99	3.51	-50.23
COC1=CC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=CC=C1Cl	REAL300017049814	0	43	-1.0	-49.26	382.71	3.53	-45.73
CC1=CC=CC(Cl)=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049815	0	42	-1.0	-51.01	359.17	4.97	-46.04
O=C([O-])C(CNS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)CC1=CC=CC(O)=C1	REAL300017049816	0	46	-1.0	-61.59	391.01	5.74	-55.85
O=C([O-])C(CNS(=O)(=O)CCOCC1CCCC1)CC1=CC=CC(O)=C1	REAL300017049817	0	52	-1.0	-53.65	430.88	4.17	-49.48
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=C1OCC2)CC1=CC=CC(O)=C1	REAL300017049818	0	44	-1.0	-57.26	366.89	3.53	-53.73
CC1=CC(F)=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C(F)=C1	REAL300017049819	0	42	-1.0	-57.41	376.05	4.68	-52.73
O=C([O-])C(CNS(=O)(=O)CCOCC1CC1)CC1=CC=CC(O)=C1	REAL300017049820	0	46	-1.0	-53.94	397.18	3.02	-50.92
N#CC1=CC=C(CS(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049821	0	43	-1.0	-57.49	381.81	4.77	-52.72
COC1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049822	0	43	-1.0	-57.66	375.64	3.02	-54.64
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC(Cl)=C1)CC1=CC=CC(O)=C1	REAL300017049823	0	42	-1.0	-56.60	377.68	4.89	-51.71
O=C([O-])C(CNS(=O)(=O)C1=CC(Cl)=CC=C1F)CC1=CC=CC(O)=C1	REAL300017049824	0	39	-1.0	-53.17	361.13	4.00	-49.17
COC1=CC=C(F)C=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049825	0	43	-1.0	-54.96	364.11	3.57	-51.39
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=CN=CC=C21)CC1=CC=CC(O)=C1	REAL300017049826	0	44	-1.0	-54.75	372.27	4.18	-50.57
CC(=O)NC1=NC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])S1	REAL300017049827	0	42	-1.0	-63.25	391.09	1.22	-62.03
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=N1	REAL300017049828	0	42	-1.0	-47.55	363.12	0.30	-47.25
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])O1	REAL300017049829	0	39	-1.0	-49.31	340.54	2.44	-46.87
C=C(C)CS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049830	0	39	-1.0	-47.96	334.12	2.54	-45.42
O=C([O-])C(CNS(=O)(=O)C1=CC=C2OCCC2=C1)CC1=CC=CC(O)=C1	REAL300017049832	0	44	-1.0	-56.90	382.66	3.57	-53.33
CCCS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049833	0	38	-1.0	-53.40	331.48	2.19	-51.21
O=C([O-])C(CNS(=O)(=O)C1=CC(F)=CC(F)=C1)CC1=CC=CC(O)=C1	REAL300017049834	0	39	-1.0	-52.69	359.56	3.85	-48.84
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])S1	REAL300017049835	0	39	-1.0	-52.02	351.00	3.47	-48.55
CCCCS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049836	0	41	-1.0	-53.30	352.98	2.97	-50.33
COC(=O)C1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049837	0	45	-1.0	-49.03	395.44	4.41	-44.62
CNC(=O)C1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049838	0	46	-1.0	-59.74	402.57	2.00	-57.74
NC(=O)C1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049839	0	43	-1.0	-59.61	380.64	0.50	-59.11
CCN(CC)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049840	0	43	-1.0	-46.86	349.09	2.37	-44.49
COC(=O)C1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])S1	REAL300017049841	0	42	-1.0	-49.85	385.07	3.44	-46.41
O=C([O-])C(CNS(=O)(=O)N1CCCCCC1)CC1=CC=CC(O)=C1	REAL300017049842	0	47	-1.0	-54.75	372.98	3.70	-51.05
CCOC(=O)C1=CNN=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049843	0	45	-1.0	-63.97	398.12	2.28	-61.69
O=C([O-])C(CNS(=O)(=O)C1=CC=CN=C1Cl)CC1=CC=CC(O)=C1	REAL300017049844	0	38	-1.0	-57.88	343.68	1.92	-55.96
COC1=CC(Cl)=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049845	0	43	-1.0	-54.38	383.38	4.07	-50.31
O=C([O-])C(CNS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)CC1=CC=CC(O)=C1	REAL300017049846	0	44	-1.0	-49.06	387.91	5.01	-44.05
O=C([O-])C(CNS(=O)(=O)N1CCOCC1)CC1=CC=CC(O)=C1	REAL300017049847	0	42	-1.0	-50.86	345.45	0.37	-50.49
O=C([O-])C(CNS(=O)(=O)CC1=CC=C(F)C=C1)CC1=CC=CC(O)=C1	REAL300017049848	0	42	-1.0	-61.33	376.91	4.50	-56.83
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C(Cl)=C1	REAL300017049849	0	42	-1.0	-58.19	369.82	4.44	-53.75
O=C([O-])C(CNS(=O)(=O)N1CCCCC1)CC1=CC=CC(O)=C1	REAL300017049850	0	44	-1.0	-56.24	362.99	2.82	-53.42
O=C([O-])C(CNS(=O)(=O)N1CCCC1)CC1=CC=CC(O)=C1	REAL300017049851	0	41	-1.0	-54.18	343.78	1.97	-52.21
CC1=CC(F)=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049852	0	42	-1.0	-49.14	358.33	4.63	-44.51
O=C([O-])C(CNS(=O)(=O)N1CCC2=CC=CC=C2C1)CC1=CC=CC(O)=C1	REAL300017049853	0	48	-1.0	-53.53	402.91	5.04	-48.49
CC1CCN(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])CC1	REAL300017049854	0	47	-1.0	-52.47	385.12	3.53	-48.94
O=C([O-])C(CNS(=O)(=O)C1=CC=C(F)C=C1Cl)CC1=CC=CC(O)=C1	REAL300017049855	0	39	-1.0	-45.66	344.00	3.74	-41.92
N#CC1=CC=C(Cl)C=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049856	0	40	-1.0	-55.40	359.49	3.93	-51.47
CC1CC(C)CN(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C1	REAL300017049857	0	50	-1.0	-52.26	395.29	4.00	-48.26
CS(=O)(=O)CCCS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049858	0	44	-1.0	-58.75	384.92	-0.35	-59.10
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C(C)=C1C	REAL300017049859	0	49	-1.0	-48.28	395.87	4.44	-43.84
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CN=C2C=C1)CC1=CC=CC(O)=C1	REAL300017049860	0	44	-1.0	-53.27	378.15	4.06	-49.21
CC1=CC(C#N)=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049861	0	43	-1.0	-45.57	371.43	4.91	-40.66
N#CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C(F)=C1	REAL300017049862	0	40	-1.0	-57.12	365.77	3.87	-53.25
COC(=O)CCN(C)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049863	0	46	-1.0	-52.01	389.47	2.48	-49.53
CN(C1CCOCC1)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049864	0	48	-1.0	-46.74	382.97	1.71	-45.03
O=C([O-])C(CNS(=O)(=O)N1CC2CCC1C2)CC1=CC=CC(O)=C1	REAL300017049865	0	45	-1.0	-49.23	363.40	3.16	-46.07
CCN1N=C(C)C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1C	REAL300017049866	0	48	-1.0	-56.61	406.17	3.66	-52.95
CC(C)N1C=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=N1	REAL300017049867	0	45	-1.0	-56.95	391.52	2.80	-54.15
CC(C)CN1C=NC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049868	0	48	-1.0	-58.10	401.74	4.92	-53.18
CC(C)N1C=NC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049869	0	45	-1.0	-57.60	382.63	4.05	-53.55
CC(C)C1=NC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=CN1	REAL300017049870	0	45	-1.0	-55.08	377.72	2.20	-52.88
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049871	0	51	-1.0	-54.35	389.73	6.17	-48.18
CC1(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])CC1	REAL300017049872	0	39	-1.0	-48.73	330.75	2.99	-45.74
CC1=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C(N)=NO1	REAL300017049873	0	40	-1.0	-47.66	343.63	1.07	-46.59
O=C([O-])C(CNS(=O)(=O)C1=CNC2=CC=CC(F)=C21)CC1=CC=CC(O)=C1	REAL300017049874	0	43	-1.0	-67.28	384.59	3.78	-63.50
O=C([O-])C(CNS(=O)(=O)C1=C2N=CSC2=CC=C1)CC1=CC=CC(O)=C1	REAL300017049875	0	41	-1.0	-59.92	370.47	3.49	-56.43
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=N1	REAL300017049876	0	41	-1.0	-56.45	363.34	2.54	-53.91
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C(Cl)=N1	REAL300017049877	0	41	-1.0	-49.87	354.42	2.42	-47.45
N#CC1=CC(F)=CC=C1CS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049878	0	43	-1.0	-48.56	389.23	4.74	-43.82
O=C([O-])C(CNS(=O)(=O)C1=CN=C(Cl)C(F)=C1)CC1=CC=CC(O)=C1	REAL300017049879	0	38	-1.0	-51.00	364.48	2.40	-48.60
CC(C)(C)CS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049880	0	44	-1.0	-47.53	351.18	3.53	-44.00
CC1=CC(C)=CC(CS(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049881	0	48	-1.0	-50.03	407.25	5.78	-44.25
CC1=CC(F)=CC=C1CS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049882	0	45	-1.0	-53.08	392.10	5.07	-48.01
CC1CC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])CCO1	REAL300017049883	0	46	-1.0	-62.08	382.77	2.34	-59.74
CC(COC1CCCC1)CS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049884	0	55	-1.0	-47.54	436.50	5.01	-42.53
CCOCC(C)CS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049885	0	48	-1.0	-53.33	402.01	3.02	-50.31
CC(CC#N)N(C)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049886	0	44	-1.0	-59.25	367.61	2.83	-56.42
COCCN(CCC#N)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049887	0	48	-1.0	-52.37	410.64	2.17	-50.20
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CC=C2N=C1)CC1=CC=CC(O)=C1	REAL300017049888	0	44	-1.0	-52.37	378.37	4.04	-48.33
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC(F)=C1F)CC1=CC=CC(O)=C1	REAL300017049889	0	42	-1.0	-50.42	371.31	4.43	-45.99
CCN(CC(C)C#N)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049890	0	47	-1.0	-54.79	391.48	3.76	-51.03
CC(C#N)CN(C)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049891	0	44	-1.0	-48.34	369.92	2.54	-45.80
O=C([O-])C(CNS(=O)(=O)CCC1=CC=CS1)CC1=CC=CC(O)=C1	REAL300017049892	0	42	-1.0	-54.43	372.68	4.26	-50.17
CC1=CC=C(CS(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1C	REAL300017049893	0	48	-1.0	-50.10	398.11	5.54	-44.56
N#CCC1(CS(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])CC1	REAL300017049894	0	43	-1.0	-57.33	370.55	3.88	-53.45
CN1N=NC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049895	0	38	-1.0	-46.35	330.61	0.13	-46.22
CC1=CC=C(CS(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C(F)=C1	REAL300017049896	0	45	-1.0	-55.75	396.62	5.14	-50.61
CC(C(=O)N(C)C)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049897	0	45	-1.0	-53.39	371.32	1.57	-51.82
CC(C)(C)C1=CC(CS(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=NO1	REAL300017049898	0	50	-1.0	-57.85	428.01	4.43	-53.42
O=C([O-])C(CNS(=O)(=O)CCC1CCC1)CC1=CC=CC(O)=C1	REAL300017049899	0	45	-1.0	-55.22	370.77	4.23	-50.99
CC(C)(C)CCCS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049900	0	50	-1.0	-53.07	408.21	4.66	-48.41
CC1=C(CCS(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])SC=N1	REAL300017049901	0	44	-1.0	-55.17	386.43	2.91	-52.26
COCC1(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])CC1	REAL300017049902	0	43	-1.0	-60.28	366.13	2.62	-57.66
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=CC=CC=C21)CC1=CC=CC(O)=C1	REAL300017049903	0	45	-1.0	-59.53	387.12	6.08	-53.45
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])CC1=CC=CC(O)=C1	REAL300017049904	0	44	-1.0	-60.43	382.33	5.52	-54.91
CC1=CC=C(F)C=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049905	0	42	-1.0	-51.20	367.24	4.69	-46.51
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1Cl	REAL300017049906	0	42	-1.0	-50.87	372.65	4.79	-46.08
CC(C)OC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049907	0	49	-1.0	-48.91	409.95	4.58	-44.33
O=C([O-])C(CNS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)CC1=CC=CC(O)=C1	REAL300017049908	0	39	-1.0	-50.91	365.74	3.90	-47.01
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C(F)=C1	REAL300017049909	0	42	-1.0	-59.44	366.43	4.15	-55.29
CC1=CC=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049910	0	42	-1.0	-57.95	361.46	4.63	-53.32
CC1=NC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=CN1C	REAL300017049911	0	42	-1.0	-64.40	370.28	2.60	-61.80
O=C([O-])C(CNS(=O)(=O)C1=CC(F)=C(F)C=C1F)CC1=CC=CC(O)=C1	REAL300017049912	0	39	-1.0	-53.15	357.69	3.60	-49.55
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=NON=C21)CC1=CC=CC(O)=C1	REAL300017049913	0	40	-1.0	-61.82	357.62	2.43	-59.39
CC1=CC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=CC=C1F	REAL300017049914	0	42	-1.0	-46.88	362.67	4.32	-42.56
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=CC=CN=C21)CC1=CC=CC(O)=C1	REAL300017049915	0	44	-1.0	-62.81	378.30	4.84	-57.97
O=C([O-])C(CNS(=O)(=O)C1=CC=CC(Cl)=C1F)CC1=CC=CC(O)=C1	REAL300017049916	0	39	-1.0	-53.35	351.64	3.92	-49.43
CC1=CC=C(F)C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049917	0	42	-1.0	-55.72	365.82	4.15	-51.57
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1F	REAL300017049918	0	43	-1.0	-56.68	382.45	3.09	-53.59
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1F	REAL300017049919	0	42	-1.0	-51.10	363.91	4.38	-46.72
O=C([O-])C(CNS(=O)(=O)C1=C(F)C=C(F)C=C1F)CC1=CC=CC(O)=C1	REAL300017049920	1	39	-1.0	-52.73	361.04	4.07	-48.66
CN1C=NC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049921	0	39	-1.0	-64.17	350.76	2.80	-61.37
O=C([O-])C(CNS(=O)(=O)C1=CC=CN=C1)CC1=CC=CC(O)=C1	REAL300017049922	0	38	-1.0	-56.51	341.73	1.93	-54.58
N#CCCCS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049923	0	39	-1.0	-52.45	342.14	2.62	-49.83
CC1CCCCN1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049924	0	47	-1.0	-57.13	377.15	3.79	-53.34
CC(C)N(C)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049925	0	43	-1.0	-47.03	347.52	2.09	-44.94
CCCN(CCC)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049926	0	49	-1.0	-46.81	392.08	3.88	-42.93
CN(CCC#N)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049927	0	41	-1.0	-50.73	354.96	2.22	-48.51
N#CC1=CC=CC(CS(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049928	0	43	-1.0	-59.44	381.81	4.76	-54.68
O=C([O-])C(CNS(=O)(=O)CCC1=CC=CC=C1)CC1=CC=CC(O)=C1	REAL300017049929	0	45	-1.0	-60.25	392.00	5.22	-55.03
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1C(N)=O	REAL300017049930	0	46	-1.0	-55.15	396.74	1.18	-53.97
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049931	0	44	-1.0	-53.11	389.69	5.28	-47.83
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049932	0	44	-1.0	-50.67	374.44	5.05	-45.62
CN1C=NC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1Cl	REAL300017049933	0	39	-1.0	-61.74	364.21	3.27	-58.47
CCCCN(C)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049934	0	46	-1.0	-47.25	377.10	3.26	-43.99
CC(C)CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049935	0	51	-1.0	-54.35	427.29	6.41	-47.94
COCCC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049936	0	49	-1.0	-54.93	422.70	4.24	-50.69
COCCN(CCOC)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049937	0	51	-1.0	-52.83	419.84	0.94	-51.89
CC1=CC=C(Cl)C=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049938	0	42	-1.0	-51.04	377.57	5.14	-45.90
COC(=O)C1=CC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=CN1	REAL300017049939	0	43	-1.0	-60.50	390.14	2.06	-58.44
N#CC1=CC(F)=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049940	0	40	-1.0	-52.89	358.11	3.54	-49.35
N#CC1=CC(Cl)=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049941	0	40	-1.0	-52.88	368.44	3.99	-48.89
CC1=C(F)C=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049942	0	42	-1.0	-55.46	366.63	4.65	-50.81
COC(=O)CN1C=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=N1	REAL300017049943	0	45	-1.0	-60.34	405.49	2.49	-57.85
CC1=CC=C(CS(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1F	REAL300017049944	0	45	-1.0	-50.35	386.42	5.04	-45.31
COCCC(C)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049945	0	45	-1.0	-51.40	376.03	2.31	-49.09
CCC(C)CS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049946	0	44	-1.0	-47.28	355.25	3.50	-43.78
N#CCC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049947	0	43	-1.0	-59.09	388.38	4.90	-54.19
CCN(CC1CC1)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049948	0	47	-1.0	-52.82	388.29	3.82	-49.00
CCCN1C=NC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049949	0	45	-1.0	-57.96	393.46	4.47	-53.49
N#CC1=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=CS1	REAL300017049950	0	37	-1.0	-61.56	346.98	2.58	-58.98
O=C([O-])C(CNS(=O)(=O)CC1CCC(F)CC1)CC1=CC=CC(O)=C1	REAL300017049951	0	48	-1.0	-57.00	386.26	4.87	-52.13
CC1=CC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=CC=C1Cl	REAL300017049952	0	42	-1.0	-52.60	381.61	4.82	-47.78
O=C([O-])C(CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)CC1=CC=CC(O)=C1	REAL300017049953	0	45	-1.0	-58.67	385.29	4.66	-54.01
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049954	0	46	-1.0	-60.20	402.06	1.16	-59.04
CCC1(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])CC1	REAL300017049955	0	42	-1.0	-56.00	338.29	3.45	-52.55
CCC1CCN(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])CC1	REAL300017049956	0	50	-1.0	-52.33	403.29	4.19	-48.14
O=C([O-])C(CNS(=O)(=O)CCC1=CC=C(F)C=C1)CC1=CC=CC(O)=C1	REAL300017049957	0	45	-1.0	-55.11	388.86	5.24	-49.87
O=C([O-])C(CNS(=O)(=O)CCC1=CC=CC=C1F)CC1=CC=CC(O)=C1	REAL300017049958	0	45	-1.0	-55.21	396.96	5.25	-49.96
O=C([O-])C(CNS(=O)(=O)CCC1=CC=CC=C1Cl)CC1=CC=CC(O)=C1	REAL300017049959	0	45	-1.0	-48.63	393.89	5.49	-43.14
COC1CCN(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])CC1	REAL300017049960	0	48	-1.0	-56.57	394.78	1.82	-54.75
CC(CC(F)(F)F)CS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049961	0	44	-1.0	-53.52	381.36	3.94	-49.58
COC1=CC(F)=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049962	0	43	-1.0	-48.93	362.84	3.51	-45.42
COC(=O)C1=C(C)C=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])O1	REAL300017049963	0	45	-1.0	-47.66	393.36	2.99	-44.67
O=C([O-])C(CNS(=O)(=O)C1=CN=C(C2CC2)S1)CC1=CC=CC(O)=C1	REAL300017049964	0	42	-1.0	-55.31	386.49	3.22	-52.09
CN1N=CC(C2CC2)=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049965	0	46	-1.0	-48.76	383.74	3.55	-45.21
O=C([O-])C(CNS(=O)(=O)CC1(C(F)F)CCCC1)CC1=CC=CC(O)=C1	REAL300017049966	0	48	-1.0	-59.34	395.97	4.91	-54.43
CCOC(CS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-])C1CC1	REAL300017049967	0	49	-1.0	-53.79	410.22	4.02	-49.77
CC1=NC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])N1C	REAL300017049968	0	42	-1.0	-49.41	355.09	2.67	-46.74
O=C([O-])C(CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)CC1=CC=CC(O)=C1	REAL300017049969	0	47	-1.0	-51.46	395.25	1.42	-50.04
COCCN1C=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=N1	REAL300017049970	0	46	-1.0	-51.91	396.95	1.28	-50.63
CC(C)(C)CCS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049971	0	47	-1.0	-53.14	386.71	3.90	-49.24
O=C([O-])C(CNS(=O)(=O)CC1CCOCC1)CC1=CC=CC(O)=C1	REAL300017049972	0	46	-1.0	-48.27	369.82	2.34	-45.93
O=C([O-])C(CNS(=O)(=O)CC1=CC=C(F)C=C1F)CC1=CC=CC(O)=C1	REAL300017049973	0	42	-1.0	-47.62	376.16	4.55	-43.07
CC1CCN(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C1	REAL300017049974	0	44	-1.0	-56.88	371.33	2.65	-54.23
COCC1=CC=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049975	0	46	-1.0	-51.15	383.69	3.78	-47.37
COC(=O)C(C)CS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049976	0	44	-1.0	-49.86	370.72	2.87	-46.99
CCC1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049977	0	45	-1.0	-52.44	380.08	5.11	-47.33
CCC1=CC=C(CS(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049978	0	48	-1.0	-61.75	413.39	5.87	-55.88
CC(C)CN(C)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049979	0	46	-1.0	-52.58	385.97	3.31	-49.27
CCN(C)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049980	0	40	-1.0	-52.80	344.65	1.84	-50.96
CN(C1CCCC1)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049981	0	47	-1.0	-47.64	374.62	3.40	-44.24
CCCN(C)S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049982	0	43	-1.0	-52.89	366.15	2.60	-50.29
O=C([O-])C(CNS(=O)(=O)CC1=C(F)C=CC=C1F)CC1=CC=CC(O)=C1	REAL300017049983	0	42	-1.0	-58.36	380.52	4.49	-53.87
CC1(C)CN(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])CCO1	REAL300017049984	0	48	-1.0	-55.77	392.93	1.92	-53.85
COC1=C(C)C=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1C	REAL300017049985	0	49	-1.0	-55.90	420.33	4.60	-51.30
CCCOC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049986	0	49	-1.0	-54.66	418.98	4.75	-49.91
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1Cl	REAL300017049987	0	43	-1.0	-51.14	382.70	3.53	-47.61
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1C	REAL300017049988	0	46	-1.0	-56.88	396.30	3.76	-53.12
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C(C)=C1	REAL300017049989	0	46	-1.0	-51.75	381.40	3.87	-47.88
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC=C1F)CC1=CC=CC(O)=C1	REAL300017049990	0	42	-1.0	-53.12	369.75	4.48	-48.64
N#CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1Cl	REAL300017049991	0	40	-1.0	-54.38	382.95	4.52	-49.86
N#CC1=CC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=CC=C1Cl	REAL300017049992	0	40	-1.0	-54.89	382.97	4.52	-50.37
COC(=O)C1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])O1	REAL300017049993	0	42	-1.0	-55.46	386.29	2.51	-52.95
CC1=NC(C)=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])S1	REAL300017049994	0	41	-1.0	-48.49	361.17	2.18	-46.31
O=C([O-])C(CNS(=O)(=O)CC1CCCC1)CC1=CC=CC(O)=C1	REAL300017049995	0	45	-1.0	-47.90	367.65	4.16	-43.74
O=C([O-])C(CNS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])CC1=CC=CC(O)=C1	REAL300017049996	1	41	-1.0	-60.97	367.98	5.10	-55.87
O=C([O-])C(CNS(=O)(=O)CC1CCCCC1)CC1=CC=CC(O)=C1	REAL300017049997	0	48	-1.0	-47.84	383.39	4.86	-42.98
COC(=O)CCCS(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049998	0	44	-1.0	-52.02	376.74	2.91	-49.11
CN1C=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1C(N)=O	REAL300017049999	0	44	-1.0	-52.67	378.19	-0.23	-52.90
CC1=CC(Cl)=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017050000	0	42	-1.0	-49.20	368.66	5.07	-44.13
CC1=C(Br)C=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017058237	0	31	-1.0	-45.34	311.22	1.53	-43.81
COC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC(F)=C1F	REAL300017058238	0	32	-1.0	-44.82	312.09	0.46	-44.36
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017058239	0	38	-1.0	-47.34	330.86	1.16	-46.18
O=C([O-])C(O)CNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017058240	0	44	-1.0	-43.84	333.37	1.42	-42.42
CC1=NC2=C(S(=O)(=O)NCC(O)C(=O)[O-])C=CC=C2C=C1	REAL300017058241	0	34	-1.0	-53.88	298.62	1.38	-52.50
O=C([O-])C(O)CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017058242	0	34	-1.0	-55.26	311.40	1.62	-53.64
O=C([O-])C(O)CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017058243	0	37	-1.0	-47.39	323.63	-1.73	-49.12
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058244	0	40	-1.0	-50.70	359.34	0.84	-49.86
N#CC1=CC(F)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Br	REAL300017058245	0	27	-1.0	-43.80	284.93	0.38	-43.42
CC1=CSC(C2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C2)=N1	REAL300017058246	0	35	-1.0	-47.46	332.47	1.20	-46.26
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1F	REAL300017058247	0	32	-1.0	-51.51	314.36	0.60	-50.91
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058248	0	35	-1.0	-48.10	319.76	0.76	-47.34
CC1=C(Br)C=CC=C1CS(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058249	0	32	-1.0	-45.65	302.66	1.61	-44.04
O=C([O-])C(O)CNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017058250	0	29	-1.0	-46.87	289.87	0.94	-45.93
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017058251	0	26	-1.0	-42.08	284.49	0.86	-41.22
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058252	0	33	-1.0	-55.54	302.41	-2.84	-58.38
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058253	0	51	-1.0	-45.37	426.58	4.65	-40.72
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058254	0	41	-1.0	-49.07	356.33	2.07	-47.00
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300017058255	0	26	-1.0	-41.47	294.59	1.43	-40.04
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058256	0	36	-1.0	-45.72	330.24	1.87	-43.85
O=C([O-])C(O)CNS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017058257	0	32	-1.0	-47.60	304.41	1.60	-46.00
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058258	0	30	-1.0	-42.73	293.76	0.23	-42.50
COC1=CC2=C(C=C1S(=O)(=O)NCC(O)C(=O)[O-])C(=O)NCCC2	REAL300017058259	0	41	-1.0	-52.02	342.86	-1.35	-53.37
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCC(O)C(=O)[O-])S2)C1	REAL300017058260	0	37	-1.0	-50.23	336.28	0.15	-50.08
CC1=C(S(=O)(=O)NCC(O)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017058261	0	33	-1.0	-47.30	316.47	2.01	-45.29
NC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C(F)C=C1Br	REAL300017058262	0	30	-1.0	-47.36	295.21	-3.11	-50.47
O=C([O-])C(O)CNS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017058263	0	29	-1.0	-46.45	293.09	1.07	-45.38
CCC(C)OC1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058264	0	39	-1.0	-45.70	336.51	1.38	-44.32
O=C([O-])C(O)CNS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017058265	0	33	-1.0	-49.35	312.52	1.54	-47.81
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCC(O)C(=O)[O-])=C2)=N1	REAL300017058266	0	38	-1.0	-50.26	338.91	-0.28	-50.54
COC(=O)C1=C(C)C=C(S(=O)(=O)NCC(O)C(=O)[O-])O1	REAL300017058267	0	32	-1.0	-47.47	303.67	-0.90	-48.37
CCC1=NC(S(=O)(=O)NCC(O)C(=O)[O-])=CN1CC1CC1	REAL300017058268	0	39	-1.0	-52.60	338.50	1.66	-50.94
CC(=O)N1CC2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C2C1	REAL300017058269	0	37	-1.0	-50.52	331.48	0.28	-50.24
O=C([O-])C(O)CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017058270	0	29	-1.0	-55.38	295.70	-0.47	-55.85
CCCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(C)C	REAL300017058271	0	45	-1.0	-45.25	377.93	2.77	-42.48
CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017058272	0	34	-1.0	-45.72	309.34	2.19	-43.53
O=C([O-])C(O)CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017058273	0	39	-1.0	-44.86	347.20	2.05	-42.81
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017058274	0	40	-1.0	-45.87	363.96	3.08	-42.79
COC(CS(=O)(=O)NCC(O)C(=O)[O-])C1=CC=C(F)C=C1	REAL300017058275	0	36	-1.0	-46.90	328.05	0.84	-46.06
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017058276	0	38	-1.0	-48.43	330.54	1.16	-47.27
COC(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Cl	REAL300017058277	0	34	-1.0	-46.82	328.38	-1.38	-48.20
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCC(O)C(=O)[O-])C=CC=C12	REAL300017058278	0	38	-1.0	-48.24	337.55	2.59	-45.65
COC(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C	REAL300017058279	0	37	-1.0	-49.66	332.19	-1.08	-50.74
O=C([O-])C(O)CNS(=O)(=O)CC1(C(F)F)CCCC1	REAL300017058280	0	35	-1.0	-45.69	292.85	1.08	-44.61
CCOC1(CS(=O)(=O)NCC(O)C(=O)[O-])CCOCC1	REAL300017058281	0	40	-1.0	-46.25	324.07	-1.52	-47.77
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1F	REAL300017058282	0	32	-1.0	-51.49	304.04	0.16	-51.33
CC(=O)N1CCC2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C(Cl)C=C21	REAL300017058283	0	37	-1.0	-58.63	328.48	0.91	-57.72
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058284	0	29	-1.0	-43.72	288.09	-1.66	-45.38
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017058285	0	37	-1.0	-48.07	347.10	3.82	-44.25
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058286	0	29	-1.0	-44.06	288.01	1.30	-42.76
CC1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1Br	REAL300017058287	0	29	-1.0	-46.09	280.88	1.04	-45.05
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058288	0	32	-1.0	-49.42	305.19	0.89	-48.53
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(OC)=C1	REAL300017058289	0	44	-1.0	-49.98	383.29	-2.02	-52.00
O=C([O-])C(O)CNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017058290	0	34	-1.0	-45.41	304.51	-2.53	-47.94
COC1=CC(Br)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058291	0	30	-1.0	-44.64	297.26	-0.35	-44.99
COC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017058292	0	32	-1.0	-45.76	301.99	0.47	-45.29
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058293	0	32	-1.0	-46.31	300.01	1.63	-44.68
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058294	0	39	-1.0	-44.75	337.57	1.22	-43.53
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017058295	0	33	-1.0	-50.69	310.61	0.27	-50.42
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1C	REAL300017058296	0	53	-1.0	-47.17	433.79	4.33	-42.84
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1F	REAL300017058297	0	40	-1.0	-46.03	357.54	-2.35	-48.38
O=C([O-])C(O)CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017058298	0	34	-1.0	-50.47	319.70	1.90	-48.57
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017058299	0	26	-1.0	-42.09	273.49	0.39	-41.70
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017058300	0	33	-1.0	-57.22	310.86	-2.41	-59.63
CCN1C(=O)OC2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C21	REAL300017058301	0	35	-1.0	-51.71	322.16	0.69	-51.02
CC1=C(Br)C=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058302	0	29	-1.0	-44.17	279.69	1.02	-43.15
COC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1Br	REAL300017058303	0	30	-1.0	-43.96	296.40	-0.30	-44.26
CS(=O)(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C(Cl)S1	REAL300017058304	0	29	-1.0	-50.77	304.46	-3.59	-54.36
O=C([O-])C(O)CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017058305	0	29	-1.0	-48.83	290.43	-1.22	-50.05
CC1(C)CC2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C2O1	REAL300017058306	0	37	-1.0	-45.27	323.94	0.97	-44.30
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1F	REAL300017058307	0	34	-1.0	-47.49	325.43	-3.50	-50.99
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])S1	REAL300017058308	0	40	-1.0	-52.76	381.54	-2.65	-55.41
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(OC)=C1	REAL300017058309	0	41	-1.0	-50.11	361.79	-2.81	-52.92
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])S1	REAL300017058310	0	45	-1.0	-52.61	401.07	0.70	-51.91
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1F	REAL300017058311	0	40	-1.0	-46.46	368.39	-1.82	-48.28
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300017058312	0	41	-1.0	-60.49	352.29	0.82	-59.67
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1F	REAL300017058313	0	37	-1.0	-46.59	346.89	-2.61	-49.20
CCC(=O)NCC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1OC	REAL300017058314	0	43	-1.0	-52.43	377.39	-1.11	-53.54
COC1=CC=C(Br)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058315	0	30	-1.0	-46.85	292.15	-0.23	-47.08
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017058316	0	41	-1.0	-49.26	360.23	0.16	-49.10
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058317	0	35	-1.0	-50.80	328.64	-1.86	-52.66
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017058318	0	28	-1.0	-44.36	294.50	-0.37	-44.73
CC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1Br	REAL300017058319	0	31	-1.0	-44.52	303.26	0.74	-43.78
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058320	0	31	-1.0	-51.46	288.30	0.17	-51.29
N#CC1=CC(Br)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058321	0	27	-1.0	-43.35	288.59	0.73	-42.62
CCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Br	REAL300017058322	0	33	-1.0	-44.02	318.24	0.62	-43.40
O=C([O-])C(O)CNS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017058323	0	40	-1.0	-51.43	363.48	-0.84	-52.27
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058324	0	39	-1.0	-46.21	357.43	1.32	-44.89
O=C([O-])C(O)CNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017058325	0	26	-1.0	-42.11	277.02	1.13	-40.98
COC1=C(C)C=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C	REAL300017058326	0	36	-1.0	-45.45	320.05	0.61	-44.84
CC(C)CCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058327	0	42	-1.0	-45.42	358.16	2.05	-43.37
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017058328	0	40	-1.0	-44.79	340.88	1.95	-42.84
CC(C)COC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058329	0	39	-1.0	-45.54	339.20	1.45	-44.09
CCCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058330	0	36	-1.0	-45.62	319.09	0.75	-44.87
COC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Cl	REAL300017058331	0	30	-1.0	-44.40	291.99	-0.42	-44.82
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017058332	0	30	-1.0	-45.75	301.76	-0.15	-45.90
CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1OC(C)C	REAL300017058333	0	39	-1.0	-45.53	335.83	1.32	-44.21
COCCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058334	0	37	-1.0	-48.47	331.22	-0.78	-49.25
COCCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C	REAL300017058335	0	40	-1.0	-48.18	351.53	-0.04	-48.22
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058336	0	37	-1.0	-50.82	337.22	-0.61	-51.43
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017058337	0	41	-1.0	-46.75	352.34	-0.77	-47.52
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058338	0	36	-1.0	-53.21	315.77	-0.59	-53.80
CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(Br)=C1	REAL300017058339	0	29	-1.0	-45.11	284.35	1.14	-43.97
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058340	0	32	-1.0	-53.19	308.60	-2.69	-55.88
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058341	0	32	-1.0	-48.50	307.17	1.75	-46.75
N#CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Cl	REAL300017058342	0	27	-1.0	-43.30	282.68	0.53	-42.77
CC1=CC(Br)=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058343	0	29	-1.0	-43.34	282.46	1.24	-42.10
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC(O)C(=O)[O-])=C1C	REAL300017058344	0	34	-1.0	-48.82	297.65	2.47	-46.35
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058345	0	32	-1.0	-47.78	302.61	0.44	-47.34
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058346	0	35	-1.0	-56.29	321.65	-1.85	-58.14
N#CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C(F)(F)F)=C1	REAL300017058347	0	30	-1.0	-44.78	292.08	1.71	-43.07
N#CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1Cl	REAL300017058348	0	27	-1.0	-46.34	282.71	0.53	-45.81
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058349	0	42	-1.0	-48.06	358.46	1.49	-46.57
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017058350	0	38	-1.0	-49.34	355.48	-2.43	-51.77
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058351	0	34	-1.0	-50.05	322.83	-4.10	-54.15
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])S1	REAL300017058352	0	36	-1.0	-53.28	342.34	-1.35	-54.63
O=C([O-])C(O)CNS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017058353	1	28	-1.0	-56.00	268.07	1.10	-54.90
O=C([O-])C(O)CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017058354	0	29	-1.0	-45.11	303.70	1.45	-43.66
CCOC(=O)C1=C(C)C(S(=O)(=O)NCC(O)C(=O)[O-])=C(C)N1	REAL300017058355	0	39	-1.0	-45.35	342.47	0.40	-44.95
O=C([O-])C(O)CNS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017058356	0	26	-1.0	-47.64	263.08	0.55	-47.09
CC1=NC(C2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])S2)=CS1	REAL300017058357	0	32	-1.0	-46.97	325.68	0.28	-46.69
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017058358	0	46	-1.0	-44.76	380.80	3.34	-41.42
O=C([O-])C(O)CNS(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300017058359	0	36	-1.0	-48.99	343.73	-0.70	-49.69
COC(=O)C1=CC=C(C)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058360	0	35	-1.0	-51.43	315.65	1.27	-50.16
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017058361	0	28	-1.0	-46.28	280.72	1.73	-44.55
COC1=CC(F)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1OC	REAL300017058362	0	34	-1.0	-47.76	303.18	-1.31	-49.07
COC1=CC(C)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1OC	REAL300017058363	0	37	-1.0	-48.00	319.68	-0.15	-48.15
O=C([O-])C(O)CNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017058364	1	28	-1.0	-45.32	292.36	2.44	-42.88
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058365	0	34	-1.0	-52.34	300.04	1.50	-50.84
O=C([O-])C(O)CNS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017058366	0	29	-1.0	-52.18	285.99	0.63	-51.55
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(Br)=C1	REAL300017058367	0	35	-1.0	-44.68	339.50	2.05	-42.63
CCOC(=O)C1CCCN1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058368	0	37	-1.0	-49.23	321.63	0.13	-49.10
CNC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CN1C	REAL300017058369	0	34	-1.0	-48.64	310.36	-2.63	-51.27
COC1=CC(C)=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C)=C1	REAL300017058370	0	36	-1.0	-45.08	302.02	0.51	-44.57
O=C([O-])C(O)CNS(=O)(=O)C1=C(Br)C=C2NC(=O)COC2=C1	REAL300017058371	0	32	-1.0	-45.89	313.33	-2.29	-48.18
O=C([O-])C(O)CNS(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300017058372	0	34	-1.0	-49.17	307.68	-1.03	-50.20
COC(=O)C1=CC=C(CS(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058373	0	35	-1.0	-48.53	325.04	1.11	-47.42
COC(=O)C1CCN(S(=O)(=O)NCC(O)C(=O)[O-])CC1	REAL300017058374	0	37	-1.0	-48.49	317.33	-0.55	-49.04
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017058375	0	37	-1.0	-48.54	321.74	-0.14	-48.68
COC(=O)C1=CC=CC(CS(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058376	0	35	-1.0	-52.90	325.04	1.10	-51.80
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])O1	REAL300017058377	0	32	-1.0	-47.21	307.88	-0.56	-47.77
COC(=O)CCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058378	0	39	-1.0	-48.19	353.05	0.80	-47.39
COC1=CC(C)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C	REAL300017058379	0	36	-1.0	-46.36	311.37	0.53	-45.83
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017058380	0	30	-1.0	-50.31	284.59	0.09	-50.22
O=C([O-])C(O)CNS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017058381	0	29	-1.0	-47.65	283.94	1.87	-45.78
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017058382	0	28	-1.0	-46.06	285.29	1.84	-44.22
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058383	0	31	-1.0	-50.20	279.90	2.06	-48.14
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017058384	0	28	-1.0	-42.41	291.17	1.14	-41.27
O=C([O-])C(O)CNS(=O)(=O)C1=C(Br)C=CS1	REAL300017058385	0	23	-1.0	-44.88	254.38	-0.85	-45.73
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017058386	0	30	-1.0	-46.88	284.34	0.09	-46.79
CC1=C(S(=O)(=O)NCC(O)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300017058387	0	34	-1.0	-47.10	292.17	0.91	-46.19
O=C([O-])C(O)CNS(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300017058388	0	34	-1.0	-50.21	304.52	-1.33	-51.54
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017058389	0	25	-1.0	-44.18	264.68	-1.49	-45.67
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017058390	0	28	-1.0	-46.01	272.95	0.15	-45.86
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017058391	0	28	-1.0	-42.85	290.88	0.85	-42.00
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058392	0	35	-1.0	-49.77	322.89	-1.87	-51.64
CCN1C=C(S(=O)(=O)NCC(O)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017058393	0	31	-1.0	-50.60	296.24	0.61	-49.99
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017058394	0	28	-1.0	-50.69	279.44	1.10	-49.59
O=C([O-])C(O)CNS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017058395	0	28	-1.0	-42.41	281.09	0.46	-41.95
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017058396	0	33	-1.0	-46.07	317.15	0.41	-45.66
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017058397	0	28	-1.0	-47.33	285.03	1.83	-45.50
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017058398	0	40	-1.0	-46.30	357.49	3.00	-43.30
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(F)=C1	REAL300017058399	0	34	-1.0	-57.15	318.27	-3.81	-60.96
CCC(=O)C1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058400	0	34	-1.0	-50.21	309.55	0.99	-49.22
CCOC(=O)N1CCN(S(=O)(=O)NCC(O)C(=O)[O-])CC1	REAL300017058401	0	39	-1.0	-45.78	332.07	-1.52	-47.30
COC1=C(S(=O)(=O)NCC(O)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017058402	0	35	-1.0	-47.89	325.29	0.96	-46.93
O=C([O-])C(O)CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017058403	0	36	-1.0	-46.65	332.45	1.28	-45.37
CC(C)CCN(CCC(C)C)S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058404	0	48	-1.0	-45.32	380.37	2.56	-42.76
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058405	0	32	-1.0	-49.08	317.39	1.13	-47.95
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058406	0	34	-1.0	-50.93	323.31	-3.65	-54.58
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300017058407	0	41	-1.0	-54.00	368.40	-1.14	-55.14
CS(=O)(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1F	REAL300017058408	0	32	-1.0	-51.24	311.57	-2.73	-53.97
COC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1Br	REAL300017058409	0	32	-1.0	-44.37	317.54	0.85	-43.52
CCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C2=CC=CC=C12	REAL300017058410	0	39	-1.0	-47.78	337.64	2.36	-45.42
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058411	0	36	-1.0	-47.73	308.88	1.11	-46.62
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017058412	0	31	-1.0	-53.04	294.75	-0.10	-53.14
O=C([O-])C(O)CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017058413	0	33	-1.0	-49.28	307.03	0.84	-48.44
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017058414	0	28	-1.0	-48.28	290.88	0.84	-47.44
CCOCCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058415	0	40	-1.0	-48.49	353.07	0.19	-48.30
CCCCCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058416	0	42	-1.0	-45.51	362.09	2.31	-43.20
O=C([O-])C(O)CNS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017058417	0	28	-1.0	-54.73	276.01	1.62	-53.11
COC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1F	REAL300017058418	0	32	-1.0	-45.72	305.81	0.40	-45.32
COC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C(Cl)C=C1Cl	REAL300017058419	0	32	-1.0	-43.86	315.13	0.82	-43.04
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058420	0	36	-1.0	-49.02	321.41	0.19	-48.83
COC(=O)CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])S1	REAL300017058421	0	32	-1.0	-50.38	315.59	0.33	-50.05
COC(=O)C1=CSC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058422	0	29	-1.0	-46.21	294.27	-0.61	-46.82
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058423	0	38	-1.0	-50.38	332.85	1.81	-48.57
COC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1Cl	REAL300017058424	0	32	-1.0	-44.65	313.80	0.76	-43.89
COC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1C	REAL300017058425	0	35	-1.0	-47.17	317.30	0.91	-46.26
COC(=O)C1=CC=C(F)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058426	0	32	-1.0	-49.04	299.23	0.13	-48.91
O=C([O-])C(O)CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017058427	0	32	-1.0	-47.62	294.61	1.54	-46.08
O=C([O-])C(O)CNS(=O)(=O)C1=CN=CC(Br)=C1	REAL300017058428	0	25	-1.0	-43.40	262.55	-1.48	-44.88
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017058429	0	30	-1.0	-44.47	302.61	1.19	-43.28
O=C([O-])C(O)CNS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017058430	0	31	-1.0	-45.35	296.90	-4.81	-50.16
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C2S1	REAL300017058431	0	40	-1.0	-46.40	359.23	1.67	-44.73
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058432	0	31	-1.0	-46.85	303.19	-0.15	-47.00
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058433	0	33	-1.0	-45.36	306.21	0.73	-44.63
CC(C)N1N=CC2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C21	REAL300017058434	0	38	-1.0	-47.22	336.95	1.26	-45.96
CCCCCCN1C=C(S(=O)(=O)NCC(O)C(=O)[O-])C(=O)NC1=O	REAL300017058435	0	44	-1.0	-56.58	377.46	0.33	-56.25
CC1=CN(C2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C2F)N=C1	REAL300017058436	0	36	-1.0	-52.67	331.09	1.76	-50.91
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCC(O)C(=O)[O-])S1	REAL300017058437	0	33	-1.0	-46.86	320.00	-1.33	-48.19
CCS(=O)(=O)NCCS(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058438	0	33	-1.0	-52.33	310.31	-5.52	-57.85
CC1=CC(Cl)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017058439	0	31	-1.0	-44.19	292.17	0.97	-43.22
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(Br)O1	REAL300017058440	0	23	-1.0	-45.41	250.85	-1.55	-46.96
CC1=C(S(=O)(=O)NCC(O)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300017058441	0	32	-1.0	-46.81	300.24	0.99	-45.82
O=C([O-])C(O)CNS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017058442	0	23	-1.0	-41.85	263.30	-0.45	-42.30
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017058443	0	29	-1.0	-44.94	291.80	1.22	-43.72
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017058444	0	29	-1.0	-44.84	302.11	1.66	-43.18
CC1=C(S(=O)(=O)NCC(O)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017058445	0	32	-1.0	-43.81	310.07	2.47	-41.34
O=C([O-])C(O)CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017058446	0	29	-1.0	-47.48	289.23	1.12	-46.36
O=C([O-])C(O)CNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017058447	0	32	-1.0	-48.48	292.88	2.54	-45.94
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017058448	0	32	-1.0	-48.50	304.16	2.59	-45.91
COC1=CC(Br)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Cl	REAL300017058449	0	30	-1.0	-44.54	308.17	0.32	-44.22
CN1C=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017058450	0	37	-1.0	-47.16	351.16	-1.32	-48.48
CCOC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CN1C	REAL300017058451	0	36	-1.0	-48.02	329.52	0.75	-47.27
CCOC(=O)C1CC2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C2O1	REAL300017058452	0	40	-1.0	-49.96	359.95	1.96	-48.00
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1F	REAL300017058453	0	32	-1.0	-48.78	311.57	-2.73	-51.51
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058454	0	35	-1.0	-53.22	335.24	-0.30	-53.52
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058455	0	39	-1.0	-50.43	353.89	1.29	-49.14
CC1=C(S(=O)(=O)NCC(O)C(=O)[O-])SC2=CC=CC(F)=C12	REAL300017058456	0	32	-1.0	-47.38	301.84	1.62	-45.76
O=C([O-])C(O)CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017058457	0	37	-1.0	-52.40	346.24	-3.21	-55.61
N#CC1=CC(F)=C(S(=O)(=O)NCC(O)C(=O)[O-])C(F)=C1	REAL300017058458	1	27	-1.0	-45.90	275.53	0.40	-45.50
CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1N(C)C	REAL300017058459	0	37	-1.0	-44.52	321.38	0.39	-44.13
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058460	0	31	-1.0	-47.30	301.69	1.67	-45.63
CSC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Cl	REAL300017058461	0	30	-1.0	-43.92	301.68	1.20	-42.72
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058462	0	29	-1.0	-64.34	276.38	-0.12	-64.46
O=C([O-])C(O)CNS(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017058463	0	38	-1.0	-49.39	347.31	2.21	-47.18
CN(C)C1=CC=C(Br)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058464	0	34	-1.0	-46.41	314.14	0.88	-45.53
CC1=NN2C=C(S(=O)(=O)NCC(O)C(=O)[O-])C=NC2=C1Cl	REAL300017058465	0	31	-1.0	-46.56	305.92	-0.42	-46.98
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058466	0	32	-1.0	-46.59	307.23	1.74	-44.85
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058467	0	38	-1.0	-45.10	320.30	0.20	-44.90
CCC1=NOC2=NC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C12	REAL300017058468	0	33	-1.0	-48.56	307.71	-2.56	-51.12
CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017058469	0	31	-1.0	-43.52	299.53	1.04	-42.48
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017058470	0	32	-1.0	-45.01	313.67	2.60	-42.41
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058471	0	32	-1.0	-46.59	296.89	1.30	-45.29
O=C([O-])C(O)CNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017058472	0	29	-1.0	-61.72	283.46	-0.42	-62.14
O=C([O-])C(O)CNS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017058473	0	29	-1.0	-46.57	303.44	1.50	-45.07
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058474	1	41	-1.0	-47.42	366.31	-3.01	-50.43
CC(=O)NC1=CC(C)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Br	REAL300017058475	0	36	-1.0	-48.38	336.17	0.27	-48.11
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058476	0	34	-1.0	-58.31	316.05	-1.85	-60.16
O=C([O-])C(O)CNS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017058477	0	25	-1.0	-42.30	260.20	-1.58	-43.88
COC(=O)C1CCCCC1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058478	0	38	-1.0	-49.22	318.08	1.37	-47.85
COC(=O)C1(C2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C2)CC1	REAL300017058479	0	39	-1.0	-48.67	344.56	2.35	-46.32
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058480	0	30	-1.0	-48.01	305.02	1.19	-46.82
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017058481	0	32	-1.0	-44.00	315.08	-2.19	-46.19
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058482	0	30	-1.0	-42.77	293.76	0.23	-42.54
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017058483	0	35	-1.0	-52.40	312.85	3.51	-48.89
CCC1=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C(C(=O)OC)O1	REAL300017058484	0	35	-1.0	-47.22	325.69	0.06	-47.16
O=C([O-])C(O)CNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017058485	0	43	-1.0	-54.08	361.65	1.62	-52.46
COC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C)=C1F	REAL300017058486	0	33	-1.0	-45.64	295.41	-0.04	-45.68
O=C([O-])C(O)CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017058487	0	46	-1.0	-53.09	370.57	1.48	-51.61
O=C([O-])C(O)CNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017058488	0	43	-1.0	-52.77	376.51	2.05	-50.72
O=C([O-])C(O)CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017058489	0	40	-1.0	-50.20	339.62	-0.02	-50.22
O=C([O-])C(O)CNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017058490	0	37	-1.0	-50.11	345.23	0.50	-49.61
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058491	0	34	-1.0	-45.83	318.71	1.89	-43.94
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300017058492	0	26	-1.0	-41.90	284.03	0.85	-41.05
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017058493	0	35	-1.0	-46.64	308.28	1.15	-45.49
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300017058494	0	44	-1.0	-48.95	379.18	2.28	-46.67
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300017058495	0	41	-1.0	-49.46	360.31	1.11	-48.35
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058496	0	37	-1.0	-50.70	336.39	-0.21	-50.91
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058497	0	40	-1.0	-47.41	353.85	0.95	-46.46
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017058498	0	40	-1.0	-47.13	351.53	3.07	-44.06
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017058499	0	26	-1.0	-43.20	280.61	0.56	-42.64
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C2O1	REAL300017058500	0	41	-1.0	-46.02	369.94	2.40	-43.62
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058501	0	38	-1.0	-51.24	337.51	2.19	-49.05
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017058502	0	26	-1.0	-46.62	269.93	0.33	-46.29
CC1=CC=C(C)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1[N+](=O)[O-]	REAL300017058503	0	34	-1.0	-49.53	302.64	2.70	-46.83
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017058504	0	32	-1.0	-46.10	307.49	1.52	-44.58
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017058505	0	36	-1.0	-42.99	332.12	2.72	-40.27
COC(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058506	0	34	-1.0	-47.96	313.42	-2.06	-50.02
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017058508	0	29	-1.0	-41.86	301.94	1.24	-40.62
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017058509	0	29	-1.0	-45.50	283.47	0.48	-45.02
CC1=CC(Br)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058510	0	29	-1.0	-44.82	289.19	1.00	-43.82
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058511	0	37	-1.0	-48.56	312.43	-2.26	-50.82
CC(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Br	REAL300017058512	0	33	-1.0	-49.37	320.48	-0.62	-49.99
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058513	0	37	-1.0	-57.33	326.45	-0.27	-57.60
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017058514	0	38	-1.0	-51.64	316.88	-1.21	-52.85
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300017058515	0	32	-1.0	-46.40	326.69	-2.15	-48.55
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300017058516	0	26	-1.0	-45.58	282.47	0.82	-44.76
COC1=C(F)C=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017058517	0	32	-1.0	-43.76	309.95	0.55	-43.21
COC(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017058518	0	36	-1.0	-47.57	337.18	-0.92	-48.49
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017058519	0	37	-1.0	-51.82	345.38	1.54	-50.28
COC(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(OC)=C1	REAL300017058520	0	36	-1.0	-47.12	321.68	0.21	-46.91
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058521	0	29	-1.0	-43.92	288.00	1.31	-42.61
CC1=CC(C)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017058522	0	34	-1.0	-49.83	304.90	1.81	-48.02
O=C([O-])C(O)CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017058523	0	34	-1.0	-52.87	309.88	0.98	-51.89
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058524	0	42	-1.0	-56.22	382.68	-1.60	-57.82
O=C([O-])C(O)CNS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017058525	0	32	-1.0	-52.21	290.42	-3.82	-56.03
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C21	REAL300017058526	0	36	-1.0	-50.07	326.48	0.64	-49.43
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017058527	0	31	-1.0	-51.63	294.74	-0.10	-51.73
COC1=CC(F)=C(S(=O)(=O)NCC(O)C(=O)[O-])C(F)=C1	REAL300017058528	0	30	-1.0	-46.87	284.22	-0.71	-47.58
CCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C)=C1	REAL300017058529	0	36	-1.0	-45.35	312.53	0.86	-44.49
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058530	0	34	-1.0	-53.40	323.10	-4.12	-57.52
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058531	0	35	-1.0	-50.27	317.95	1.32	-48.95
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017058532	0	30	-1.0	-45.44	276.76	-0.17	-45.61
CCCOC(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058533	0	38	-1.0	-45.05	344.36	2.11	-42.94
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300017058534	0	44	-1.0	-53.18	383.59	-0.30	-53.48
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300017058535	0	32	-1.0	-46.60	307.11	-0.37	-46.97
CCC(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058536	0	36	-1.0	-50.08	322.89	-0.57	-50.65
O=C([O-])C(O)CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017058537	0	32	-1.0	-49.00	309.05	1.46	-47.54
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058538	0	37	-1.0	-45.30	316.38	1.51	-43.79
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017058539	0	25	-1.0	-47.08	259.98	-1.66	-48.74
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017058540	0	32	-1.0	-47.36	280.67	-0.72	-48.08
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017058541	0	38	-1.0	-48.11	340.19	1.71	-46.40
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017058542	0	26	-1.0	-45.76	265.79	0.11	-45.65
CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(F)(F)F	REAL300017058543	0	32	-1.0	-46.29	300.91	1.25	-45.04
O=C([O-])C(O)CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017058544	0	32	-1.0	-48.76	319.30	0.46	-48.30
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C12	REAL300017058545	0	34	-1.0	-46.49	312.79	-0.55	-47.04
O=C([O-])C(O)CNS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017058546	0	29	-1.0	-48.45	296.60	1.10	-47.35
O=C([O-])C(O)CNS(=O)(=O)CC1CCCN1C(=O)OCC1=CC=CC=C1	REAL300017058547	0	47	-1.0	-52.43	402.35	2.70	-49.73
CC1=NOC2=NC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C12	REAL300017058548	0	30	-1.0	-46.11	286.22	-3.30	-49.41
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017058549	0	35	-1.0	-46.36	328.02	2.57	-43.79
O=C([O-])C(O)CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017058550	0	28	-1.0	-46.34	290.89	1.15	-45.19
COC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C(C(=O)OC)S1	REAL300017058551	0	35	-1.0	-49.91	341.45	0.94	-48.97
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058552	0	32	-1.0	-48.83	296.84	1.30	-47.53
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017058553	0	38	-1.0	-60.92	342.82	-1.77	-62.69
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CN=C2S1	REAL300017058554	0	40	-1.0	-46.20	370.88	1.34	-44.86
O=C([O-])C(O)CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017058555	0	33	-1.0	-45.78	316.23	0.24	-45.54
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017058556	0	26	-1.0	-44.50	269.19	0.41	-44.09
COC1=CC(OC)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Br	REAL300017058557	0	34	-1.0	-45.66	316.69	-0.44	-46.10
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CN=C21	REAL300017058558	0	34	-1.0	-45.18	315.57	-2.79	-47.97
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300017058559	0	39	-1.0	-48.29	368.77	1.75	-46.54
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058593	0	35	-1.0	-48.72	339.25	2.05	-46.67
CCOC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1F	REAL300017058594	0	35	-1.0	-47.37	327.67	1.33	-46.04
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017058595	0	34	-1.0	-49.11	308.08	0.37	-48.74
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058596	0	45	-1.0	-57.11	378.60	3.28	-53.83
O=C([O-])C(O)CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017058597	0	29	-1.0	-47.73	296.90	1.33	-46.40
N#CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(Cl)=C1	REAL300017058598	0	27	-1.0	-45.93	268.89	0.17	-45.76
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Cl	REAL300017058599	0	33	-1.0	-52.25	314.33	-0.99	-53.24
CC1CC2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C2O1	REAL300017058600	0	34	-1.0	-46.00	303.52	0.33	-45.67
COC1=CC(Cl)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Cl	REAL300017058601	0	30	-1.0	-44.32	293.38	-0.36	-44.68
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058602	0	38	-1.0	-44.53	303.23	2.88	-41.65
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058603	0	38	-1.0	-49.30	334.40	-1.27	-50.57
COC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CS1	REAL300017058604	0	29	-1.0	-46.10	293.76	-0.61	-46.71
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058605	0	35	-1.0	-48.92	328.95	2.23	-46.69
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017058606	0	37	-1.0	-47.05	351.87	3.08	-43.97
O=C([O-])C(O)CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017058607	0	32	-1.0	-47.02	312.89	0.39	-46.63
O=C([O-])C(O)CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017058608	0	32	-1.0	-48.53	329.63	0.91	-47.62
COC(=O)C1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1C	REAL300017058609	0	35	-1.0	-47.38	310.68	1.06	-46.32
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017058610	0	28	-1.0	-41.95	295.98	1.02	-40.93
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058611	0	30	-1.0	-42.74	302.19	0.35	-42.39
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058612	0	38	-1.0	-45.26	325.64	0.33	-44.93
CCOC(=O)N1CCC(S(=O)(=O)NCC(O)C(=O)[O-])CC1	REAL300017058613	0	40	-1.0	-48.90	340.71	-0.37	-49.27
CC1=NC(C2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C2)=CO1	REAL300017058614	0	35	-1.0	-48.89	322.63	-1.20	-50.09
O=C([O-])C(O)CNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017058615	0	25	-1.0	-42.19	273.30	-1.20	-43.39
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017058616	0	34	-1.0	-46.54	299.93	0.35	-46.19
COC1=CC=C(Cl)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058617	0	30	-1.0	-47.39	277.37	-0.92	-48.31
COC(=O)C1=C(S(=O)(=O)NCC(O)C(=O)[O-])C2=CC=CC=C2S1	REAL300017058618	0	35	-1.0	-52.25	332.33	2.43	-49.82
O=C([O-])C(O)CNS(=O)(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300017058619	0	47	-1.0	-49.37	400.62	2.68	-46.69
O=C([O-])C(O)CNS(=O)(=O)C1CCCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017058620	0	47	-1.0	-52.33	401.86	2.71	-49.62
O=C([O-])C(O)CNS(=O)(=O)C1=C(Br)C=C2CCC(=O)NC2=C1	REAL300017058621	0	34	-1.0	-49.05	322.47	-0.35	-49.40
COC(=O)CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058622	0	35	-1.0	-49.69	323.42	1.17	-48.52
CC1=CC=C(N2C=C(S(=O)(=O)NCC(O)C(=O)[O-])C=N2)C=C1	REAL300017058623	0	36	-1.0	-47.12	328.44	1.51	-45.61
O=C([O-])C(O)CNS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017058624	0	44	-1.0	-50.38	386.59	1.88	-48.50
O=C([O-])C(O)CNS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017058625	0	44	-1.0	-54.28	379.49	1.48	-52.80
O=C([O-])C(O)CNS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017058626	0	41	-1.0	-49.32	370.04	1.01	-48.31
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC(O)C(=O)[O-])S1	REAL300017058627	0	28	-1.0	-43.44	285.75	0.10	-43.34
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C21	REAL300017058628	0	37	-1.0	-62.35	325.40	0.77	-61.58
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017058629	0	26	-1.0	-44.87	277.51	0.91	-43.96
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017058630	0	26	-1.0	-41.97	282.61	0.79	-41.18
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058631	0	36	-1.0	-47.70	305.20	1.29	-46.41
COC(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1F	REAL300017058632	0	32	-1.0	-45.77	305.79	0.41	-45.36
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058633	0	30	-1.0	-45.28	283.48	0.08	-45.20
N#CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Br	REAL300017058634	0	27	-1.0	-43.14	286.97	0.62	-42.52
COC1=CC(C)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Cl	REAL300017058635	0	33	-1.0	-46.90	306.50	0.50	-46.40
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCC(O)C(=O)[O-])S1	REAL300017058636	0	32	-1.0	-43.45	320.14	0.38	-43.07
CC(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1F	REAL300017058637	0	33	-1.0	-49.47	307.37	-1.26	-50.73
COC1=CC(Cl)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1OC	REAL300017058638	0	34	-1.0	-46.55	306.57	-1.01	-47.56
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017058639	0	30	-1.0	-45.89	291.95	-0.63	-46.52
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017058640	0	29	-1.0	-44.44	290.80	0.78	-43.66
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C	REAL300017058641	0	37	-1.0	-50.60	338.34	-3.32	-53.92
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C2S1	REAL300017058642	0	38	-1.0	-47.96	360.86	2.77	-45.19
COC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(Br)=C1	REAL300017058643	0	30	-1.0	-44.93	292.41	-0.24	-45.17
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=N1	REAL300017058644	0	31	-1.0	-55.42	303.24	-4.67	-60.09
CC1=CC2=C(C=C1S(=O)(=O)NCC(O)C(=O)[O-])OCO2	REAL300017058645	0	32	-1.0	-46.44	287.17	-0.71	-47.15
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300017058646	0	32	-1.0	-44.33	313.45	0.87	-43.46
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058647	0	32	-1.0	-52.07	288.35	0.83	-51.24
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017058648	0	26	-1.0	-44.33	264.87	0.29	-44.04
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017058649	0	26	-1.0	-44.08	279.40	0.99	-43.09
COC1=CC2=C(C=C1S(=O)(=O)NCC(O)C(=O)[O-])OCC(=O)N2	REAL300017058650	0	36	-1.0	-47.84	317.42	-3.22	-51.06
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017058651	0	27	-1.0	-51.00	264.81	-1.88	-52.88
O=C([O-])C(O)CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br	REAL300017058652	0	29	-1.0	-44.51	301.43	1.47	-43.04
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017058653	0	26	-1.0	-49.73	265.10	0.09	-49.64
COC(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1OC	REAL300017058654	0	36	-1.0	-48.23	328.56	0.44	-47.79
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058655	0	30	-1.0	-51.33	297.72	-2.99	-54.32
CC1(C)CC2=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C2O1	REAL300017058656	0	37	-1.0	-51.20	317.47	0.99	-50.21
N#CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1C(F)(F)F	REAL300017058657	0	30	-1.0	-46.93	303.14	0.91	-46.02
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058699	0	27	-1.0	-56.06	267.20	-0.11	-56.17
COC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(=O)N(C)C	REAL300017058700	0	40	-1.0	-49.33	349.09	-0.77	-50.10
CC1CC2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC(Cl)=C2O1	REAL300017058701	0	34	-1.0	-44.60	320.01	0.84	-43.76
CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017058702	0	31	-1.0	-44.14	290.70	0.90	-43.24
CCOC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017058703	0	40	-1.0	-45.68	361.39	2.33	-43.35
CC1=CC=C(Br)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058704	0	29	-1.0	-45.65	284.10	1.13	-44.52
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC(O)C(=O)[O-])C=N1	REAL300017058705	0	37	-1.0	-52.61	334.21	0.48	-52.13
O=C([O-])C(O)CNS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017058706	0	28	-1.0	-47.14	278.47	-0.80	-47.94
CC(=O)N(C)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058707	0	36	-1.0	-51.25	313.62	-0.06	-51.31
CC(=O)NC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1C	REAL300017058708	0	36	-1.0	-56.41	321.37	-0.49	-56.90
O=C([O-])C(O)CNS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017058709	0	31	-1.0	-49.78	293.58	-0.21	-49.99
O=C([O-])C(O)CNS(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300017058710	0	32	-1.0	-48.14	293.10	-2.72	-50.86
CN1CCCC2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C21	REAL300017058711	0	38	-1.0	-46.50	320.68	0.28	-46.22
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017058712	0	28	-1.0	-45.30	281.20	-1.05	-46.35
COC1=CC=CC(OC)=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058713	0	34	-1.0	-51.09	300.45	0.24	-50.85
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017058714	0	32	-1.0	-48.46	297.86	-1.22	-49.68
CC(C)(C)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])S1	REAL300017058715	0	35	-1.0	-45.85	319.22	1.37	-44.48
COC1=CC(OC)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058716	0	34	-1.0	-47.80	305.45	-1.67	-49.47
N#CC1=CC=C(Cl)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058717	0	27	-1.0	-46.32	268.67	0.17	-46.15
CC1=C(S(=O)(=O)NCC(O)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017058718	0	34	-1.0	-51.86	294.88	1.26	-50.60
CCC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1CC	REAL300017058719	0	38	-1.0	-45.11	323.54	2.28	-42.83
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058720	0	34	-1.0	-42.11	297.39	1.75	-40.36
COC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C(C)O1	REAL300017058721	0	32	-1.0	-47.94	305.25	-0.74	-48.68
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017058722	0	32	-1.0	-48.30	273.81	0.78	-47.52
COC(=O)C1=NSC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058723	0	28	-1.0	-48.30	278.62	-1.42	-49.72
COC(=O)C1=C(S(=O)(=O)NCC(O)C(=O)[O-])SC=N1	REAL300017058724	1	28	-1.0	-47.97	286.65	-2.52	-50.49
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017058725	0	34	-1.0	-52.03	306.06	-1.82	-53.85
O=C([O-])C(O)CNS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017058726	0	37	-1.0	-45.07	310.51	-2.20	-47.27
COC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CN1C	REAL300017058727	0	33	-1.0	-48.30	307.65	-0.18	-48.48
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058728	0	37	-1.0	-45.82	328.85	1.56	-44.26
O=C([O-])C(O)CNS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017058729	0	29	-1.0	-48.18	292.03	0.98	-47.20
O=C([O-])C(O)CNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017058730	0	29	-1.0	-47.98	292.58	1.00	-46.98
COC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CN=C1Cl	REAL300017058731	0	29	-1.0	-43.11	287.06	-2.31	-45.42
N#CC1=CC=C(F)C(CS(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058732	0	30	-1.0	-49.95	296.15	0.86	-49.09
COC(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=N1	REAL300017058733	0	31	-1.0	-46.47	297.20	-1.45	-47.92
O=C([O-])C(O)CNS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017058734	0	25	-1.0	-46.52	264.10	-0.89	-47.41
COC1=CC(C#N)=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058735	0	31	-1.0	-45.26	287.73	-0.05	-45.31
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058736	0	32	-1.0	-47.06	317.98	0.89	-46.17
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017058737	0	29	-1.0	-44.94	279.81	-2.72	-47.66
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058738	0	35	-1.0	-56.77	331.50	-2.07	-58.84
CC(=O)NC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1F	REAL300017058739	0	33	-1.0	-51.95	308.50	-1.28	-53.23
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C21	REAL300017058740	0	40	-1.0	-58.79	338.09	1.31	-57.48
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058741	0	32	-1.0	-43.31	299.90	1.61	-41.70
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058742	0	43	-1.0	-49.19	383.27	-0.56	-49.75
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058743	0	36	-1.0	-53.76	327.44	-2.92	-56.68
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C2CC1	REAL300017058744	0	43	-1.0	-54.50	359.39	1.70	-52.80
COC(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(F)(F)F	REAL300017058745	0	35	-1.0	-45.38	331.42	1.19	-44.19
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058746	0	35	-1.0	-46.75	308.12	1.70	-45.05
O=C([O-])C(O)CNS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017058747	0	29	-1.0	-45.64	272.45	0.61	-45.03
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017058748	0	29	-1.0	-44.63	287.87	1.82	-42.81
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058749	0	40	-1.0	-51.67	358.01	-2.08	-53.75
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058750	0	39	-1.0	-48.71	343.27	1.12	-47.59
CCOC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1C	REAL300017058751	0	38	-1.0	-44.96	339.17	1.83	-43.13
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058752	0	38	-1.0	-49.74	345.28	2.09	-47.65
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1OC	REAL300017058753	0	37	-1.0	-49.10	341.93	-0.49	-49.59
CCOC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C(F)C=C1C	REAL300017058754	0	38	-1.0	-46.21	337.11	1.60	-44.61
O=C([O-])C(O)CNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017058755	0	32	-1.0	-46.58	308.22	1.74	-44.84
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058756	0	35	-1.0	-48.57	321.09	1.05	-47.52
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017058757	0	36	-1.0	-48.28	320.68	3.14	-45.14
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058758	0	40	-1.0	-49.44	365.37	-2.48	-51.92
O=C([O-])C(O)CNS(=O)(=O)CC1=CC=CC=C1Br	REAL300017058759	0	29	-1.0	-46.24	287.01	1.01	-45.23
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CN1C	REAL300017058760	0	38	-1.0	-46.93	348.50	0.92	-46.01
O=C([O-])C(O)CNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017058761	0	30	-1.0	-48.08	293.99	0.60	-47.48
CC1=NC(S(=O)(=O)NCC(O)C(=O)[O-])=C(Br)N1C	REAL300017058762	0	29	-1.0	-51.22	286.62	-0.70	-51.92
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058763	0	39	-1.0	-52.06	338.62	0.56	-51.50
COC(=O)C1=CC(Br)=C(S(=O)(=O)NCC(O)C(=O)[O-])S1	REAL300017058764	1	29	-1.0	-42.42	310.34	-0.09	-42.51
COC(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(F)=C1	REAL300017058765	0	32	-1.0	-49.44	299.44	0.14	-49.30
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058766	0	37	-1.0	-50.30	336.88	-0.91	-51.21
CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300017058767	0	41	-1.0	-47.47	359.40	2.55	-44.92
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058768	0	38	-1.0	-51.86	349.89	-1.06	-52.92
COCCOC1=C(Cl)C=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Cl	REAL300017058769	0	37	-1.0	-44.67	367.43	0.45	-44.22
COC(=O)C1(CS(=O)(=O)NCC(O)C(=O)[O-])CCCC1	REAL300017058770	0	38	-1.0	-49.17	320.45	0.89	-48.28
COCC1=CC(Cl)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058771	0	33	-1.0	-45.24	318.27	-0.05	-45.29
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058772	0	35	-1.0	-47.00	334.82	2.15	-44.85
CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1C(F)(F)F	REAL300017058773	0	32	-1.0	-43.09	300.90	1.24	-41.85
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017058774	0	37	-1.0	-44.66	351.88	3.09	-41.57
COC(=O)CC1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058775	0	35	-1.0	-49.98	323.43	1.16	-48.82
O=C([O-])C(O)CNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300017058776	0	32	-1.0	-47.47	307.91	1.67	-45.80
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017058777	0	26	-1.0	-44.22	278.80	-0.08	-44.30
CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1I	REAL300017058778	0	29	-1.0	-45.34	291.83	1.36	-43.98
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058779	0	39	-1.0	-50.71	356.32	0.09	-50.62
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058780	0	42	-1.0	-50.57	378.18	1.02	-49.55
COC(=O)C1(CS(=O)(=O)NCC(O)C(=O)[O-])CCCCC1	REAL300017058781	0	41	-1.0	-49.49	332.41	1.21	-48.28
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058782	0	34	-1.0	-50.78	316.71	0.72	-50.06
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C2	REAL300017058783	0	39	-1.0	-50.97	346.05	3.56	-47.41
O=C([O-])C(O)CNS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017058784	0	29	-1.0	-49.17	301.53	1.44	-47.73
O=C([O-])C(O)CNS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017058785	0	29	-1.0	-50.02	292.40	1.04	-48.98
COC1=CC=C(Br)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1F	REAL300017058786	0	30	-1.0	-50.49	295.43	-0.05	-50.54
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058787	0	36	-1.0	-47.07	320.80	2.03	-45.04
O=C([O-])C(O)CNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017058788	0	30	-1.0	-46.30	292.38	1.33	-44.97
O=C([O-])C(O)CNS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017058793	0	35	-1.0	-51.45	308.35	0.44	-51.01
O=C([O-])C(O)CNS(=O)(=O)C1=CSC=C1C(F)F	REAL300017058794	0	26	-1.0	-44.39	260.84	-0.08	-44.47
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058795	0	42	-1.0	-45.63	361.01	2.49	-43.14
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C21	REAL300017058796	0	46	-1.0	-52.69	371.98	2.14	-50.55
COC(=O)C1=CN(C)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058797	0	33	-1.0	-53.55	301.40	-0.29	-53.84
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C21	REAL300017058798	0	40	-1.0	-46.10	342.03	-0.20	-46.30
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017058799	0	41	-1.0	-62.75	356.91	2.38	-60.37
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C21	REAL300017058800	0	40	-1.0	-62.44	347.05	1.66	-60.78
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C2)C=C1	REAL300017058801	0	41	-1.0	-45.31	375.37	3.58	-41.73
O=C([O-])C(O)CNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017058802	0	36	-1.0	-44.58	305.66	0.07	-44.51
O=C([O-])C(O)CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017058808	0	32	-1.0	-46.17	313.32	0.63	-45.54
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017058809	0	32	-1.0	-47.67	297.19	-3.05	-50.72
O=C([O-])C(O)CNS(=O)(=O)C1=C(Br)C=CO1	REAL300017058810	1	23	-1.0	-44.92	246.37	-1.61	-46.53
COC1=C(F)C=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1F	REAL300017058811	0	30	-1.0	-43.76	292.34	-0.73	-44.49
COC1=CC(F)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1F	REAL300017058812	0	30	-1.0	-45.61	280.18	-1.14	-46.75
CCCCCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(C)C	REAL300017058813	0	51	-1.0	-45.14	420.93	4.34	-40.80
COC1=CC(C(C)C)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C	REAL300017058814	0	42	-1.0	-46.55	349.69	1.85	-44.70
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058815	0	36	-1.0	-45.22	308.52	1.00	-44.22
CCOCCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(C)C	REAL300017058816	0	49	-1.0	-48.19	411.91	2.19	-46.00
CC1CC2=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C2O1	REAL300017058817	0	34	-1.0	-48.10	289.41	0.12	-47.98
CC(C)(C)C1=NC=C(S(=O)(=O)NCC(O)C(=O)[O-])S1	REAL300017058818	0	34	-1.0	-44.27	315.14	-0.61	-44.88
N#CC1(C2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C2)CC1	REAL300017058819	0	34	-1.0	-48.25	314.71	1.93	-46.32
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058820	0	30	-1.0	-46.40	284.99	0.35	-46.05
CC1=C(Br)C(S(=O)(=O)NCC(O)C(=O)[O-])=C(C)S1	REAL300017058821	0	29	-1.0	-45.17	291.14	1.11	-44.06
CC1=CC(Cl)=C(S(=O)(=O)NCC(O)C(=O)[O-])C(Br)=C1	REAL300017058822	0	29	-1.0	-45.88	291.94	1.72	-44.16
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C21	REAL300017058823	0	43	-1.0	-56.15	355.98	1.80	-54.35
O=C([O-])C(O)CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017058824	0	32	-1.0	-47.48	300.15	0.35	-47.13
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C21	REAL300017058825	0	40	-1.0	-55.95	345.79	1.36	-54.59
CN1N=C(Br)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058826	0	26	-1.0	-43.57	268.44	-2.16	-45.73
O=C([O-])C(O)CNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017058827	0	28	-1.0	-43.25	280.37	-1.09	-44.34
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058828	0	31	-1.0	-54.83	287.16	-0.67	-55.50
O=C([O-])C(O)CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017058829	0	30	-1.0	-49.49	294.45	-0.03	-49.52
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017058830	0	29	-1.0	-47.63	285.32	1.15	-46.48
O=C([O-])C(O)CNS(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017058831	0	30	-1.0	-47.19	294.38	-0.04	-47.23
O=C([O-])C(O)CNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017058832	0	29	-1.0	-55.90	291.14	-0.57	-56.47
CC1=CC(C)=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C)=C1F	REAL300017058833	0	35	-1.0	-45.02	294.60	1.75	-43.27
COC1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1OC	REAL300017058834	0	34	-1.0	-49.85	293.87	-0.48	-50.33
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017058835	0	35	-1.0	-56.75	314.81	-3.06	-59.81
N#CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1Br	REAL300017058836	0	27	-1.0	-46.11	286.99	0.62	-45.49
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1	REAL300017058837	0	42	-1.0	-49.17	390.83	0.69	-48.48
COC1=CC=C(F)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1OC	REAL300017058838	0	34	-1.0	-49.69	305.90	0.04	-49.65
COC(=O)C1=C(Br)OC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058839	1	29	-1.0	-45.81	304.86	-0.90	-46.71
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(I)S1	REAL300017058840	0	23	-1.0	-43.94	266.38	-0.08	-44.02
CN1C=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C2CCCC2)=N1	REAL300017058841	0	39	-1.0	-48.33	320.57	0.00	-48.33
N#CC1=C(S(=O)(=O)NCC(O)C(=O)[O-])C2=CC=CC=C2S1	REAL300017058842	0	30	-1.0	-50.47	297.08	1.65	-48.82
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017058844	0	30	-1.0	-48.03	285.48	-0.69	-48.72
O=C([O-])C(O)CNS(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017058845	0	30	-1.0	-52.87	294.38	-0.02	-52.89
O=C([O-])C(O)CNS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017058846	0	29	-1.0	-48.95	275.90	-1.05	-50.00
CN1N=NC2=C(S(=O)(=O)NCC(O)C(=O)[O-])C=CC=C21	REAL300017058847	0	31	-1.0	-60.90	284.80	-1.86	-62.76
CC1=CC(C)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Br	REAL300017058849	0	32	-1.0	-45.91	300.43	1.81	-44.10
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017058850	0	32	-1.0	-43.81	314.44	0.86	-42.95
O=C([O-])C(O)CNS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017058851	0	29	-1.0	-45.32	269.22	-0.39	-45.71
CN1C=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C2CCC2)=N1	REAL300017058852	0	36	-1.0	-47.03	300.87	-0.57	-47.60
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058853	0	44	-1.0	-46.36	360.38	3.74	-42.62
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017058854	0	32	-1.0	-43.44	317.69	1.60	-41.84
O=C([O-])C(O)CNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017058855	0	36	-1.0	-46.15	320.44	0.36	-45.79
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017058856	0	37	-1.0	-47.09	334.79	2.51	-44.58
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058857	0	39	-1.0	-51.18	336.27	-1.87	-53.05
COC1=C(S(=O)(=O)NCC(O)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017058858	0	35	-1.0	-58.10	311.90	0.94	-57.16
COC(=O)C1=NN(C)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058859	0	32	-1.0	-48.00	302.76	-1.94	-49.94
O=C([O-])C(O)CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017058860	0	30	-1.0	-43.54	302.91	1.07	-42.47
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C2C=C1	REAL300017058861	0	38	-1.0	-48.25	347.15	2.63	-45.62
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300017058862	0	35	-1.0	-46.52	335.49	2.32	-44.20
CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CN=C1C(F)(F)F	REAL300017058863	0	31	-1.0	-43.04	297.15	-0.46	-43.50
O=C([O-])C(O)CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017058864	0	29	-1.0	-42.21	291.61	0.79	-41.42
O=C([O-])C(O)CNS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017058865	0	26	-1.0	-44.17	267.38	0.24	-43.93
O=C([O-])C(O)CNS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017058866	0	26	-1.0	-42.10	278.23	-0.18	-42.28
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017058867	0	29	-1.0	-43.83	298.38	1.14	-42.69
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058868	0	37	-1.0	-49.93	331.05	1.76	-48.17
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017058869	0	37	-1.0	-45.98	316.10	2.76	-43.22
CC1(C)OC(=O)C2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C21	REAL300017058870	0	36	-1.0	-49.15	326.47	1.41	-47.74
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017058871	0	32	-1.0	-44.49	308.89	0.77	-43.72
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058872	0	31	-1.0	-43.55	297.25	0.23	-43.32
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058873	0	36	-1.0	-44.79	342.42	0.50	-44.29
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017058874	0	35	-1.0	-54.87	320.62	-0.31	-55.18
O=C([O-])C(O)CNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017058875	0	26	-1.0	-44.70	265.74	0.11	-44.59
O=C([O-])C(O)CNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017058876	0	29	-1.0	-44.97	277.54	1.36	-43.61
COC(=O)C1=C(C)SC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058877	0	32	-1.0	-44.42	312.65	0.07	-44.35
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017058878	0	33	-1.0	-47.87	293.96	1.59	-46.28
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300017058879	0	28	-1.0	-43.12	300.85	-0.06	-43.18
O=C([O-])C(O)CNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017058880	0	36	-1.0	-44.36	312.21	0.14	-44.22
CNC(=O)NC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058881	0	35	-1.0	-50.94	317.45	-2.76	-53.70
CS(=O)(=O)C1=CSC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058882	0	29	-1.0	-52.83	300.16	-3.78	-56.61
COC1=CC(F)=C(F)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058883	0	30	-1.0	-42.90	279.45	-0.31	-43.21
CN1C=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C2CCOCC2)=N1	REAL300017058884	0	40	-1.0	-47.38	344.72	-1.15	-48.53
CC(F)(F)C1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058885	0	32	-1.0	-45.21	299.69	1.26	-43.95
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017058886	0	30	-1.0	-46.47	285.73	-0.70	-47.17
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1	REAL300017058887	0	33	-1.0	-44.95	335.81	-0.35	-45.30
O=C([O-])C(O)CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017058888	0	41	-1.0	-45.14	341.74	2.40	-42.74
CC1=CC(C)=C(S(=O)(=O)NCC(O)C(=O)[O-])C2=NC=CC=C12	REAL300017058889	0	37	-1.0	-54.35	317.92	2.08	-52.27
O=C([O-])C(O)CNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017058890	0	34	-1.0	-46.16	299.85	-0.27	-46.43
CCOCC1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058891	0	36	-1.0	-46.07	323.39	0.41	-45.66
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300017058892	0	29	-1.0	-45.99	305.75	1.73	-44.26
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058895	0	36	-1.0	-46.52	326.16	0.91	-45.61
O=C([O-])C(O)CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017058896	0	39	-1.0	-47.21	332.86	0.67	-46.54
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017058897	0	37	-1.0	-45.22	335.16	2.57	-42.65
CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC(C)=C1Br	REAL300017058898	0	32	-1.0	-43.51	304.17	1.47	-42.04
O=C([O-])C(O)CNS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017058899	0	30	-1.0	-46.24	296.39	1.42	-44.82
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCC(O)C(=O)[O-])=C2	REAL300017058900	0	32	-1.0	-45.34	331.56	0.94	-44.40
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017058902	0	28	-1.0	-49.30	280.10	-1.33	-50.63
O=C([O-])C(O)CNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017058903	0	31	-1.0	-51.94	302.69	0.90	-51.04
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017058904	0	31	-1.0	-49.90	299.62	0.72	-49.18
CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C2=CC=CC=C12	REAL300017058905	0	35	-1.0	-48.52	305.21	2.61	-45.91
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058906	0	30	-1.0	-50.63	298.33	0.73	-49.90
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017058907	0	33	-1.0	-48.73	304.18	0.10	-48.63
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C21	REAL300017058908	0	40	-1.0	-47.11	350.81	1.24	-45.87
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017058909	0	26	-1.0	-47.66	266.53	0.03	-47.63
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCC(O)C(=O)[O-])O1	REAL300017058910	0	32	-1.0	-55.75	309.88	-3.98	-59.73
CN1C=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300017058911	0	36	-1.0	-46.99	313.55	0.64	-46.35
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017058912	0	32	-1.0	-48.90	314.91	-2.67	-51.57
O=C([O-])C(O)CNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017058913	0	30	-1.0	-44.57	299.67	1.52	-43.05
O=C([O-])C(O)CNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017058914	0	30	-1.0	-45.71	299.42	1.53	-44.18
COC(=O)C1CCCCN1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058915	0	37	-1.0	-48.39	308.47	0.39	-48.00
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C21	REAL300017058916	0	48	-1.0	-45.73	376.05	3.90	-41.83
N#CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017058917	0	29	-1.0	-46.32	291.92	0.53	-45.79
COC1=CC=C(C=C(C)S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058918	0	37	-1.0	-46.30	319.56	0.60	-45.70
COC(=O)C=CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058919	0	36	-1.0	-47.66	332.91	1.62	-46.04
CCOC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=NN1	REAL300017058920	0	32	-1.0	-46.52	304.69	-2.42	-48.94
COC1=CSC(S(=O)(=O)NCC(O)C(=O)[O-])=C1OC	REAL300017058921	0	31	-1.0	-45.86	295.25	-2.41	-48.27
CN(CCC1=CC=CC=C1)S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058922	0	37	-1.0	-45.41	326.50	1.63	-43.78
O=C([O-])C(O)CNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017058923	0	37	-1.0	-48.30	322.68	6.43	-41.87
O=C([O-])C(O)CNC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017058924	0	43	-1.0	-47.54	342.57	5.82	-41.72
CC(C)(C)OC(=O)N1CCN(C(=O)NCC(O)C(=O)[O-])CC1	REAL300017058925	0	44	-1.0	-47.44	347.00	2.44	-45.00
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NCC(O)C(=O)[O-]	REAL300017058926	0	45	-1.0	-49.57	361.09	2.88	-46.69
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058927	0	30	-1.0	-45.91	297.11	0.89	-45.02
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017058928	0	30	-1.0	-46.77	294.92	0.52	-46.25
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017058929	0	30	-1.0	-48.44	291.96	-0.63	-49.07
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017058930	0	29	-1.0	-46.59	275.76	1.28	-45.31
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017058931	0	35	-1.0	-45.03	325.34	0.21	-44.82
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017058932	0	23	-1.0	-41.11	271.54	-0.18	-41.29
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058933	0	39	-1.0	-48.90	337.50	2.14	-46.76
CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017058934	0	43	-1.0	-46.74	364.90	1.62	-45.12
O=C([O-])C(O)CNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017058935	0	29	-1.0	-47.23	302.73	1.14	-46.09
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017058936	0	31	-1.0	-46.92	297.69	0.36	-46.56
O=C([O-])C(O)CNS(=O)(=O)C1=C(I)C=CS1	REAL300017058937	0	23	-1.0	-44.17	260.58	-0.39	-44.56
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017058938	0	37	-1.0	-49.02	336.89	2.64	-46.38
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058939	0	32	-1.0	-50.18	283.34	1.74	-48.44
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017058940	0	31	-1.0	-50.69	301.11	-1.69	-52.38
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017058941	0	27	-1.0	-48.09	281.63	-1.41	-49.50
C=C(C)COC1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058942	0	37	-1.0	-46.10	330.15	1.35	-44.75
CCN1C=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C2CC2)=N1	REAL300017058943	0	36	-1.0	-47.88	311.39	-0.03	-47.91
CC1=C(S(=O)(=O)NCC(O)C(=O)[O-])C2=NSN=C2C=C1	REAL300017058944	0	30	-1.0	-52.89	284.24	-0.89	-53.78
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017058945	0	32	-1.0	-45.15	309.11	2.50	-42.65
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017058946	0	36	-1.0	-45.11	337.39	3.66	-41.45
CCC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1Br	REAL300017058947	0	32	-1.0	-43.27	305.52	1.59	-41.68
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058948	0	39	-1.0	-44.52	333.23	0.91	-43.61
COCCC1=CC=C(OC)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058949	0	40	-1.0	-47.73	343.32	0.06	-47.67
O=C([O-])C(O)CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017058950	0	32	-1.0	-48.95	293.58	2.03	-46.92
CN1N=C2CCOCC2=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058951	0	34	-1.0	-46.11	296.88	-2.59	-48.70
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300017058952	0	32	-1.0	-46.12	311.31	-0.45	-46.57
CC(=O)OCC1CCN(S(=O)(=O)NCC(O)C(=O)[O-])CC1	REAL300017058953	0	40	-1.0	-47.63	341.58	0.49	-47.14
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058954	0	40	-1.0	-51.54	356.08	0.39	-51.15
O=C([O-])C(O)CNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017058955	0	36	-1.0	-44.70	308.73	-2.48	-47.18
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017058956	0	41	-1.0	-45.12	348.36	0.10	-45.02
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058957	0	29	-1.0	-43.84	281.56	-2.58	-46.42
O=C([O-])C(O)CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017058958	0	25	-1.0	-44.11	273.80	-2.30	-46.41
O=C([O-])C(O)CNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017058959	0	30	-1.0	-44.39	309.10	1.84	-42.55
COC(=O)C1=NC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C	REAL300017058960	0	34	-1.0	-44.90	313.01	-0.91	-45.81
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058961	0	29	-1.0	-50.22	284.37	1.60	-48.62
O=C([O-])C(O)CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017058962	0	33	-1.0	-46.34	301.47	0.99	-45.35
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017058963	0	33	-1.0	-45.25	306.32	1.92	-43.33
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058964	0	40	-1.0	-46.03	355.03	3.29	-42.74
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017058965	0	33	-1.0	-47.09	307.75	1.96	-45.13
O=C([O-])C(O)CNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017058966	0	30	-1.0	-49.38	289.87	-0.13	-49.51
O=C([O-])C(O)CNS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017058967	0	29	-1.0	-48.38	276.67	0.35	-48.03
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058968	0	34	-1.0	-52.12	304.73	-4.46	-56.58
O=C([O-])C(O)CNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017058970	0	33	-1.0	-48.68	302.02	2.11	-46.57
CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(Cl)=C1Cl	REAL300017058971	0	29	-1.0	-48.39	281.85	0.84	-47.55
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017058972	0	30	-1.0	-44.36	290.71	-0.73	-45.09
O=C([O-])C(O)CNS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017058973	0	33	-1.0	-48.07	310.20	0.61	-47.46
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C2)C=C1	REAL300017058974	0	49	-1.0	-45.60	417.95	4.93	-40.67
COC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C(F)F)=C1	REAL300017058975	0	33	-1.0	-45.29	298.10	0.37	-44.92
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058976	0	32	-1.0	-43.21	303.70	-2.12	-45.33
CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C2=NC=CC=C12	REAL300017058977	0	34	-1.0	-53.45	296.18	1.38	-52.07
CC(C)(C)OC(=O)NC1CN(C(=O)NCC(O)C(=O)[O-])C1	REAL300017058978	0	41	-1.0	-49.44	340.99	-0.37	-49.81
O=C([O-])C(O)CNS(=O)(=O)N1CC=C(Br)CC1	REAL300017058979	0	29	-1.0	-43.61	277.68	-0.54	-44.15
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058981	0	39	-1.0	-47.39	323.58	1.61	-45.78
O=C([O-])C(O)CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017058982	0	33	-1.0	-49.84	312.11	0.36	-49.48
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1)C(C)(C)C(=O)[O-]	REAL300017058983	0	40	-1.0	-45.56	313.90	2.66	-42.90
CC1=CC=C(S(=O)(=O)NC(C(C)C)C(C)(C)C(=O)[O-])C=C1	REAL300017058988	0	43	-1.0	-46.16	332.81	5.92	-40.24
CC(C)C(NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(C)(C)C(=O)[O-]	REAL300017058989	0	40	-1.0	-44.34	333.76	5.72	-38.62
CC1=CC=C(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1F	REAL300017085782	0	38	-1.0	-51.86	333.79	5.61	-46.25
N#CCC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085783	0	36	-1.0	-54.36	325.50	5.37	-48.99
COC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC(F)=C1F	REAL300017085784	0	38	-1.0	-51.87	349.17	4.92	-46.95
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C1	REAL300017085785	0	44	-1.0	-52.70	367.92	5.62	-47.08
O=C([O-])CC1CC(NS(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300017085786	0	50	-1.0	-46.37	370.63	5.85	-40.52
CC1=NC2=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=CC=C2C=C1	REAL300017085787	0	40	-1.0	-55.47	336.02	5.98	-49.49
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300017085788	0	40	-1.0	-62.02	347.78	6.05	-55.97
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300017085789	0	43	-1.0	-52.00	360.72	2.74	-49.26
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085790	0	46	-1.0	-51.74	395.89	5.32	-46.42
CCCN1C=NC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085791	0	38	-1.0	-53.69	330.10	5.00	-48.69
N#CC1=CC(F)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Br	REAL300017085792	0	33	-1.0	-47.70	329.56	5.13	-42.57
N#CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=CS1	REAL300017085793	0	30	-1.0	-53.08	294.44	3.55	-49.53
O=C([O-])CC1CC(NS(=O)(=O)CC2CCC(F)CC2)C1	REAL300017085794	0	41	-1.0	-49.00	331.07	5.34	-43.66
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1Cl	REAL300017085795	0	35	-1.0	-48.47	318.71	5.30	-43.17
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300017085796	0	38	-1.0	-53.73	331.63	5.17	-48.56
CC1=CSC(C2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C2)=N1	REAL300017085797	0	41	-1.0	-51.16	369.48	5.66	-45.50
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1F	REAL300017085798	0	38	-1.0	-50.66	350.76	5.08	-45.58
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085799	0	41	-1.0	-52.06	356.14	5.23	-46.83
CC1=C(Br)C=CC=C1CS(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085800	0	38	-1.0	-49.78	340.83	5.99	-43.79
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300017085801	0	35	-1.0	-49.51	326.94	5.41	-44.10
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300017085802	0	32	-1.0	-46.81	321.58	5.32	-41.49
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085803	0	39	-1.0	-54.89	339.48	1.62	-53.27
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085804	0	57	-1.0	-49.94	463.58	9.12	-40.82
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085805	0	47	-1.0	-53.41	393.11	6.54	-46.87
CCC1CCN(S(=O)(=O)NC2CC(CC(=O)[O-])C2)CC1	REAL300017085806	0	43	-1.0	-47.71	340.37	4.67	-43.04
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300017085807	0	38	-1.0	-50.00	335.27	5.75	-44.25
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300017085808	0	38	-1.0	-51.24	334.42	5.72	-45.52
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300017085809	0	38	-1.0	-50.22	341.52	6.05	-44.17
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085810	0	36	-1.0	-47.62	338.52	4.63	-42.99
COC1=CC2=C(C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1)C(=O)NCCC2	REAL300017085811	0	47	-1.0	-56.00	387.64	3.06	-52.94
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)S2)C1	REAL300017085812	0	43	-1.0	-57.13	373.77	4.60	-52.53
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300017085813	0	39	-1.0	-53.38	358.54	6.77	-46.61
COC1CCN(S(=O)(=O)NC2CC(CC(=O)[O-])C2)CC1	REAL300017085814	0	41	-1.0	-50.88	331.45	2.27	-48.61
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300017085815	0	35	-1.0	-49.24	330.17	5.52	-43.72
CCC(C)OC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085816	0	45	-1.0	-50.08	373.29	5.85	-44.23
CC(CC(F)(F)F)CS(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085817	0	37	-1.0	-58.46	318.31	4.38	-54.08
O=C([O-])CC1CC(NS(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C1	REAL300017085818	0	39	-1.0	-57.60	347.88	5.97	-51.63
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=C2)=N1	REAL300017085819	0	44	-1.0	-51.19	375.98	4.17	-47.02
COC1=CC(F)=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085820	0	36	-1.0	-49.54	317.95	4.05	-45.49
COC(=O)C1=C(C)C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)O1	REAL300017085821	0	38	-1.0	-52.12	340.96	3.56	-48.56
CCC1=NC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CN1CC1CC1	REAL300017085822	0	45	-1.0	-54.25	381.44	6.20	-48.05
CC(=O)N1CC2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C2C1	REAL300017085823	0	43	-1.0	-54.66	368.54	4.75	-49.91
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300017085824	0	35	-1.0	-50.12	323.00	3.70	-46.42
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300017085825	0	35	-1.0	-60.30	333.44	3.97	-56.33
CCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(C)C	REAL300017085826	0	51	-1.0	-49.42	414.72	7.24	-42.18
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300017085827	0	40	-1.0	-54.71	346.35	6.64	-48.07
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085828	0	39	-1.0	-50.75	326.72	3.92	-46.83
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300017085829	0	45	-1.0	-50.90	384.20	6.52	-44.38
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300017085830	0	46	-1.0	-51.45	400.73	7.55	-43.90
COC(CS(=O)(=O)NC1CC(CC(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300017085831	0	42	-1.0	-49.90	365.42	5.30	-44.60
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C1	REAL300017085832	0	44	-1.0	-53.25	367.61	5.63	-47.62
COC(=O)NC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Cl	REAL300017085833	0	40	-1.0	-51.63	365.15	3.09	-48.54
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=CC=C12	REAL300017085834	0	44	-1.0	-51.33	374.30	7.05	-44.28
COC(=O)NC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C	REAL300017085835	0	43	-1.0	-52.17	367.95	3.28	-48.89
O=C([O-])CC1CC(NS(=O)(=O)CC2(C(F)F)CCCC2)C1	REAL300017085836	0	41	-1.0	-47.18	331.45	5.48	-41.70
CCOC1(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)CCOCC1	REAL300017085837	0	46	-1.0	-48.73	361.19	2.95	-45.78
CCOC(CS(=O)(=O)NC1CC(CC(=O)[O-])C1)C1CC1	REAL300017085838	0	42	-1.0	-50.72	347.78	4.69	-46.03
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1F	REAL300017085839	0	38	-1.0	-50.77	340.43	4.64	-46.13
CC(=O)N1CCC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=C(Cl)C=C21	REAL300017085840	0	43	-1.0	-60.68	375.98	5.81	-54.87
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085841	0	35	-1.0	-49.09	323.84	2.86	-46.23
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300017085842	0	43	-1.0	-50.27	383.87	8.29	-41.98
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085843	0	35	-1.0	-45.67	325.56	5.66	-40.01
CC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1Br	REAL300017085844	0	35	-1.0	-50.92	317.88	5.50	-45.42
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085845	0	38	-1.0	-59.91	340.46	5.21	-54.70
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300017085846	0	40	-1.0	-50.48	341.59	1.94	-48.54
COC1=CC(Br)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085847	0	36	-1.0	-48.76	334.34	4.11	-44.65
COC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017085848	0	38	-1.0	-52.73	338.78	4.94	-47.79
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085849	0	38	-1.0	-46.87	336.65	6.09	-40.78
COCCN1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300017085850	0	39	-1.0	-52.37	343.29	1.81	-50.56
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085851	0	45	-1.0	-50.54	369.96	5.55	-44.99
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300017085852	0	39	-1.0	-55.12	347.60	4.74	-50.38
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1C	REAL300017085853	0	59	-1.0	-52.70	469.85	8.73	-43.97
O=C([O-])CC1CC(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300017085854	0	40	-1.0	-53.66	357.07	6.36	-47.30
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(F)C(Br)=C2)C1	REAL300017085855	0	32	-1.0	-49.63	310.25	4.86	-44.77
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=C(F)C=C2F)C1	REAL300017085856	0	35	-1.0	-51.82	318.79	5.00	-46.82
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300017085857	0	39	-1.0	-61.44	347.85	2.06	-59.38
CCN1C(=O)OC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C21	REAL300017085858	0	41	-1.0	-56.64	359.18	5.15	-51.49
CC1=C(Br)C=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085859	0	35	-1.0	-49.12	316.00	5.59	-43.53
COCC1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085860	0	39	-1.0	-49.68	329.62	4.33	-45.35
COC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1Br	REAL300017085861	0	36	-1.0	-49.51	333.16	4.16	-45.35
CS(=O)(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C(Cl)S1	REAL300017085862	0	35	-1.0	-57.23	352.34	1.29	-55.94
O=C([O-])CC1CC(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300017085863	0	35	-1.0	-54.64	327.51	3.26	-51.38
CC1(C)CC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C2O1	REAL300017085864	0	43	-1.0	-49.44	360.98	5.44	-44.00
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1F	REAL300017085865	0	40	-1.0	-52.97	362.21	0.97	-52.00
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1F	REAL300017085866	0	43	-1.0	-52.06	383.67	1.86	-50.20
CCC(=O)NCC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1OC	REAL300017085867	0	49	-1.0	-54.90	414.17	3.36	-51.54
CCC1=CC=C(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085868	0	41	-1.0	-56.92	349.70	6.31	-50.61
COC1=CC=C(Br)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085869	0	36	-1.0	-50.20	329.16	4.24	-45.96
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300017085870	0	47	-1.0	-54.78	397.01	4.63	-50.15
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085871	0	41	-1.0	-54.94	365.42	2.61	-52.33
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C1	REAL300017085872	0	34	-1.0	-49.20	331.82	4.09	-45.11
CC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1Br	REAL300017085873	0	37	-1.0	-51.59	340.82	5.23	-46.36
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085874	0	37	-1.0	-59.68	339.45	5.25	-54.43
N#CC1=CC(Br)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085875	0	33	-1.0	-48.38	325.67	5.19	-43.19
CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Br	REAL300017085876	0	39	-1.0	-49.27	355.02	5.09	-44.18
O=C([O-])CC1CC(NS(=O)(=O)CCNC(=O)OCC2=CC=CC=C2)C1	REAL300017085877	0	46	-1.0	-59.54	400.57	3.56	-55.98
O=C([O-])CC1CC(NS(=O)(=O)CC2=C(F)C=CC=C2F)C1	REAL300017085878	0	35	-1.0	-56.22	317.70	4.92	-51.30
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085879	0	45	-1.0	-51.89	394.95	5.76	-46.13
CC1(C)CN(S(=O)(=O)NC2CC(CC(=O)[O-])C2)CCO1	REAL300017085880	0	41	-1.0	-50.22	329.28	2.33	-47.89
COC1=C(C)C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C	REAL300017085881	0	42	-1.0	-50.67	354.53	4.99	-45.68
CC(C)CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085882	0	48	-1.0	-50.01	395.16	6.52	-43.49
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300017085883	0	46	-1.0	-50.01	377.90	6.41	-43.60
CC(C)COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085884	0	45	-1.0	-50.10	376.20	5.91	-44.19
CCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085885	0	42	-1.0	-50.08	356.09	5.22	-44.86
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Cl	REAL300017085886	0	36	-1.0	-51.85	328.77	4.05	-47.80
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300017085887	0	36	-1.0	-51.03	338.53	4.32	-46.71
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C	REAL300017085888	0	39	-1.0	-50.73	332.82	4.24	-46.49
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1OC(C)C	REAL300017085889	0	45	-1.0	-50.56	372.60	5.78	-44.78
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1	REAL300017085890	0	39	-1.0	-49.58	327.40	4.37	-45.21
COCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085891	0	43	-1.0	-52.37	368.22	3.69	-48.68
COCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C	REAL300017085892	0	46	-1.0	-52.48	388.30	4.43	-48.05
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=CC=C2F)C1	REAL300017085893	0	35	-1.0	-53.45	312.37	4.94	-48.51
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085894	0	43	-1.0	-54.60	374.01	3.86	-50.74
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300017085895	0	47	-1.0	-56.01	387.92	3.64	-52.37
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085896	0	42	-1.0	-54.46	355.42	4.05	-50.41
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(Br)=C1	REAL300017085897	0	35	-1.0	-50.56	321.17	5.59	-44.97
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085898	0	38	-1.0	-56.39	357.03	2.29	-54.10
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085899	0	38	-1.0	-51.76	343.99	6.20	-45.56
N#CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Cl	REAL300017085900	0	33	-1.0	-51.18	319.46	5.00	-46.18
CC1=CC(Br)=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085901	0	35	-1.0	-46.96	319.23	5.69	-41.27
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1C	REAL300017085902	0	40	-1.0	-58.86	335.03	7.10	-51.76
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085903	0	38	-1.0	-55.72	351.47	5.41	-50.31
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085904	0	41	-1.0	-54.88	358.61	2.61	-52.27
N#CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300017085905	0	36	-1.0	-52.91	326.39	6.05	-46.86
N#CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1Cl	REAL300017085906	0	33	-1.0	-51.84	319.48	5.00	-46.84
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085907	0	48	-1.0	-56.25	395.47	5.96	-50.29
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300017085908	0	44	-1.0	-55.45	392.25	2.04	-53.41
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085909	0	40	-1.0	-55.94	359.85	0.36	-55.58
CC(=O)NCCC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300017085910	0	42	-1.0	-59.44	379.78	3.11	-56.33
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)O1	REAL300017085911	0	35	-1.0	-51.97	323.07	2.98	-48.99
CC1=NC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300017085912	0	34	-1.0	-49.75	308.47	2.75	-47.00
O=C([O-])CC1CC(NS(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300017085913	1	34	-1.0	-58.19	308.65	5.90	-52.29
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300017085914	0	35	-1.0	-49.20	340.53	5.91	-43.29
CCOC(=O)C1=C(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C(C)N1	REAL300017085915	0	45	-1.0	-50.72	377.80	4.83	-45.89
O=C([O-])CC1CC(NS(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300017085916	0	32	-1.0	-53.22	298.16	4.92	-48.30
CC1=NC(C2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)S2)=CS1	REAL300017085917	0	38	-1.0	-52.57	363.43	4.72	-47.85
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300017085918	0	52	-1.0	-50.15	417.83	7.81	-42.34
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(C(=O)NCC(F)(F)F)=C2)C1	REAL300017085919	0	42	-1.0	-53.04	380.52	3.77	-49.27
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085920	0	41	-1.0	-50.41	352.62	5.73	-44.68
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C1	REAL300017085921	0	34	-1.0	-51.72	318.10	6.17	-45.55
COC1=CC(F)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1OC	REAL300017085922	0	40	-1.0	-50.62	339.81	3.16	-47.46
COC1=CC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1OC	REAL300017085923	0	43	-1.0	-49.82	357.23	4.20	-45.62
O=C([O-])CC1CC(NS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300017085924	1	34	-1.0	-51.45	331.74	6.88	-44.57
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085925	0	40	-1.0	-55.07	336.20	6.07	-49.00
O=C([O-])CC1CC(NS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C1	REAL300017085926	0	35	-1.0	-53.48	321.26	5.05	-48.43
CN1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(N)=O	REAL300017085927	0	37	-1.0	-53.39	325.54	0.36	-53.03
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085928	0	35	-1.0	-47.02	314.67	5.59	-41.43
CCOC(=O)C1CCCN1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085929	0	43	-1.0	-53.34	358.34	4.93	-48.41
CNC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CN1C	REAL300017085930	0	40	-1.0	-53.68	347.42	1.84	-51.84
COC1=CC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1	REAL300017085931	0	42	-1.0	-49.63	338.85	5.07	-44.56
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=C(C=C2Cl)CCC(=O)N3)C1	REAL300017085932	0	40	-1.0	-56.60	356.54	3.94	-52.66
COC(=O)C1=CC=C(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085933	0	41	-1.0	-60.23	361.62	5.54	-54.69
COC(=O)C1CCN(S(=O)(=O)NC2CC(CC(=O)[O-])C2)CC1	REAL300017085934	0	43	-1.0	-51.54	355.96	4.04	-47.50
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C1	REAL300017085935	0	43	-1.0	-51.31	359.00	4.31	-47.00
COC(=O)C1=CC=CC(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085936	0	41	-1.0	-54.23	361.88	5.56	-48.67
CCOC(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)O1	REAL300017085937	0	38	-1.0	-51.94	344.93	3.91	-48.03
COC(=O)CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085938	0	45	-1.0	-52.66	390.06	5.26	-47.40
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CCOC(=O)CCCS(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085941	0	40	-1.0	-59.78	345.99	4.34	-55.44
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CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300017085948	0	40	-1.0	-52.71	329.09	5.39	-47.32
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CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085954	0	41	-1.0	-55.26	363.71	2.66	-52.60
CCN1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300017085955	0	37	-1.0	-62.93	333.26	5.06	-57.87
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CCOC(=O)N1CCN(S(=O)(=O)NC2CC(CC(=O)[O-])C2)CC1	REAL300017085963	0	45	-1.0	-52.33	368.84	2.96	-49.37
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CC(C)CCN(CCC(C)C)S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085967	0	54	-1.0	-50.09	416.45	6.92	-43.17
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CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=CC=CC=C12	REAL300017085971	0	45	-1.0	-51.99	374.40	6.83	-45.16
CCOC1=CC=C(C)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085972	0	42	-1.0	-51.33	345.42	5.61	-45.72
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CCOCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085977	0	46	-1.0	-52.40	390.07	4.65	-47.75
CCCCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017085978	0	48	-1.0	-50.01	399.09	6.78	-43.23
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COC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1F	REAL300017085980	0	38	-1.0	-51.78	342.58	4.87	-46.91
COC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300017085981	0	38	-1.0	-48.70	363.59	5.82	-42.88
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085982	0	42	-1.0	-52.43	366.22	4.62	-47.81
COC(=O)CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300017085983	0	38	-1.0	-52.74	352.61	4.80	-47.94
COC(=O)C1=CSC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085984	0	35	-1.0	-53.50	331.29	3.86	-49.64
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085985	0	44	-1.0	-49.93	370.04	6.17	-43.76
COC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1Cl	REAL300017085986	0	38	-1.0	-50.53	350.56	5.23	-45.30
COC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1C	REAL300017085987	0	41	-1.0	-52.31	354.08	5.38	-46.93
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085988	0	38	-1.0	-52.46	335.86	4.59	-47.87
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CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C2S1	REAL300017085995	0	46	-1.0	-51.11	396.54	6.13	-44.98
COC(=O)CC1(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)CC1	REAL300017085996	0	41	-1.0	-50.87	347.59	4.65	-46.22
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085997	0	37	-1.0	-52.11	340.85	4.28	-47.83
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C(F)C=C1F	REAL300017085998	0	35	-1.0	-47.65	307.83	4.65	-43.00
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085999	0	39	-1.0	-49.73	351.33	5.15	-44.58
CC(C)N1N=CC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C21	REAL300017086000	0	44	-1.0	-51.64	374.26	5.72	-45.92
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CC1=CC(Br)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086082	0	35	-1.0	-47.60	326.26	5.46	-42.14
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086083	0	43	-1.0	-53.04	336.44	2.18	-50.86
CSC1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086084	0	36	-1.0	-55.26	319.69	5.26	-50.00
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086085	0	43	-1.0	-60.21	363.91	4.08	-56.13
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COC1=C(F)C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017086087	0	38	-1.0	-50.75	347.02	5.01	-45.74
COC(=O)NC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017086088	0	42	-1.0	-53.73	373.97	3.55	-50.18
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C1	REAL300017086089	0	43	-1.0	-61.50	382.22	6.02	-55.48
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(OC)=C1	REAL300017086090	0	42	-1.0	-52.94	366.28	4.65	-48.29
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086091	0	35	-1.0	-45.61	325.54	5.67	-39.94
CC1=CC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017086092	0	40	-1.0	-48.09	342.60	6.15	-41.94
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CN1C(=O)N(C)C2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C21	REAL300017086095	0	42	-1.0	-53.66	363.35	5.11	-48.55
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COC1=CC(F)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(F)=C1	REAL300017086097	0	36	-1.0	-50.10	320.12	3.73	-46.37
CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1	REAL300017086098	0	42	-1.0	-49.29	349.88	5.23	-44.06
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086099	0	40	-1.0	-54.64	359.86	0.36	-54.28
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086100	0	41	-1.0	-57.83	353.40	5.90	-51.93
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CSC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086102	0	36	-1.0	-50.31	323.44	5.21	-45.10
CCCOC(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086103	0	44	-1.0	-51.46	381.37	6.57	-44.89
CCC(=O)NC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086104	0	42	-1.0	-56.52	359.90	3.90	-52.62
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CCN(CC1=CC=CC=C1)S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086106	0	43	-1.0	-47.83	361.48	6.12	-41.71
CCN1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)N=C1C	REAL300017086107	0	38	-1.0	-54.54	328.41	4.03	-50.51
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O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300017086111	0	44	-1.0	-52.08	377.26	6.17	-45.91
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(F)=C2F)C1	REAL300017086112	0	32	-1.0	-50.70	287.42	4.01	-46.69
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CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(F)(F)F	REAL300017086114	0	38	-1.0	-51.11	337.68	5.71	-45.40
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CC1=NOC2=NC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C12	REAL300017086118	0	36	-1.0	-53.51	322.99	1.17	-52.34
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COCC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086120	0	39	-1.0	-50.43	338.33	3.91	-46.52
O=C([O-])CC1CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)C1	REAL300017086121	0	34	-1.0	-53.02	328.67	5.57	-47.45
COC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C(C(=O)OC)S1	REAL300017086122	0	41	-1.0	-52.51	378.64	5.41	-47.10
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086123	0	38	-1.0	-51.95	333.67	5.74	-46.21
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300017086124	0	35	-1.0	-51.90	320.62	5.34	-46.56
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300017086125	0	44	-1.0	-61.24	379.83	2.70	-58.54
O=C([O-])CC1CC(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300017086126	0	39	-1.0	-57.36	352.81	4.67	-52.69
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300017086127	0	32	-1.0	-51.35	318.04	5.38	-45.97
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CN=C21	REAL300017086128	0	40	-1.0	-50.72	352.60	1.66	-49.06
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1F	REAL300017086161	0	41	-1.0	-51.50	364.45	5.80	-45.70
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300017086162	0	40	-1.0	-57.41	347.52	4.84	-52.57
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(F)=CC=C2Cl)C1	REAL300017086163	0	32	-1.0	-51.81	303.14	4.82	-46.99
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086164	0	51	-1.0	-57.33	414.67	7.32	-50.01
O=C([O-])CC1CC(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300017086165	0	35	-1.0	-53.68	334.12	5.74	-47.94
N#CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(Cl)=C1	REAL300017086166	0	33	-1.0	-50.80	317.17	5.16	-45.64
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Cl	REAL300017086167	0	39	-1.0	-53.94	350.97	3.48	-50.46
CC1CC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C2O1	REAL300017086168	0	40	-1.0	-49.49	340.46	4.77	-44.72
COC1=CC(Cl)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Cl	REAL300017086169	0	36	-1.0	-48.28	341.83	4.63	-43.65
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086170	0	44	-1.0	-50.00	340.58	7.40	-42.60
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086171	0	44	-1.0	-51.17	370.92	3.13	-48.04
COC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CS1	REAL300017086172	0	35	-1.0	-53.23	330.81	3.86	-49.37
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086173	0	41	-1.0	-51.51	365.97	6.69	-44.82
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300017086174	0	43	-1.0	-51.71	388.66	7.55	-44.16
O=C([O-])CC1CC(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300017086175	0	38	-1.0	-51.27	341.93	4.42	-46.85
O=C([O-])CC1CC(NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300017086176	0	38	-1.0	-49.27	358.63	4.94	-44.33
COC(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1C	REAL300017086177	0	41	-1.0	-54.66	347.27	5.59	-49.07
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300017086178	0	34	-1.0	-49.59	333.07	5.48	-44.11
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086179	0	36	-1.0	-48.36	339.69	4.79	-43.57
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086180	0	44	-1.0	-50.91	359.72	4.79	-46.12
CCOC(=O)N1CCC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)CC1	REAL300017086181	0	46	-1.0	-52.69	378.86	4.16	-48.53
CC1=NC(C2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C2)=CO1	REAL300017086182	0	41	-1.0	-55.84	359.64	3.26	-52.58
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)C1	REAL300017086183	0	31	-1.0	-48.07	310.64	3.26	-44.81
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300017086184	0	35	-1.0	-53.07	313.29	4.57	-48.50
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300017086185	0	35	-1.0	-50.73	309.59	2.84	-47.89
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300017086186	0	40	-1.0	-50.13	337.24	4.81	-45.32
COC1=CC=C(Cl)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086187	0	36	-1.0	-53.75	326.23	4.05	-49.70
COC(=O)C1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=CC=CC=C2S1	REAL300017086188	0	41	-1.0	-54.56	363.22	7.17	-47.39
COC(=O)CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086189	0	41	-1.0	-53.87	360.20	5.64	-48.23
O=C([O-])CC1CC(NS(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300017086190	0	39	-1.0	-53.68	322.60	5.73	-47.95
CC1=CC=C(N2C=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=N2)C=C1	REAL300017086191	0	42	-1.0	-52.59	365.51	5.98	-46.61
O=C([O-])CC1CC(NS(=O)(=O)[C@@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017086192	0	50	-1.0	-58.68	422.21	6.27	-52.41
O=C([O-])CC1CC(NS(=O)(=O)[C@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017086193	0	50	-1.0	-55.66	414.01	5.81	-49.85
O=C([O-])CC1CC(NS(=O)(=O)C2CN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017086194	0	47	-1.0	-58.99	403.57	5.33	-53.66
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300017086195	0	34	-1.0	-50.72	323.27	4.55	-46.17
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C21	REAL300017086196	0	43	-1.0	-64.44	363.76	5.31	-59.13
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(Cl)=C2Br)C1	REAL300017086197	0	32	-1.0	-51.72	314.52	5.37	-46.35
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C1	REAL300017086198	0	32	-1.0	-49.25	319.38	5.27	-43.98
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086199	0	42	-1.0	-52.54	342.03	5.75	-46.79
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1C#N	REAL300017086200	0	36	-1.0	-49.93	323.23	5.08	-44.85
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1F	REAL300017086201	0	38	-1.0	-54.79	342.57	4.88	-49.91
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086202	0	36	-1.0	-50.80	320.02	4.58	-46.22
COC1=CC=C(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086203	0	39	-1.0	-49.20	327.38	4.38	-44.82
N#CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Br	REAL300017086204	0	33	-1.0	-51.11	323.75	5.09	-46.02
COC1=CC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Cl	REAL300017086205	0	39	-1.0	-47.57	344.03	4.85	-42.72
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300017086206	0	38	-1.0	-47.86	353.80	4.70	-43.16
CC(=O)NC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1F	REAL300017086207	0	39	-1.0	-53.95	344.16	3.21	-50.74
COC1=CC(Cl)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1OC	REAL300017086208	0	40	-1.0	-50.68	355.02	3.97	-46.71
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300017086209	0	36	-1.0	-51.35	328.73	3.84	-47.51
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C1	REAL300017086210	0	35	-1.0	-50.36	327.57	5.25	-45.11
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C	REAL300017086211	0	43	-1.0	-55.68	374.58	1.28	-54.40
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C2S1	REAL300017086212	0	44	-1.0	-50.85	398.17	7.23	-43.62
N#CCC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086213	0	36	-1.0	-54.70	325.51	5.36	-49.34
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(Br)=C1	REAL300017086214	0	36	-1.0	-51.29	329.22	4.22	-47.07
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300017086215	0	37	-1.0	-61.30	340.31	-0.20	-61.50
CC1=CC2=C(C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1)OCO2	REAL300017086216	0	38	-1.0	-49.11	323.94	3.75	-45.36
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086217	0	38	-1.0	-57.82	333.79	5.31	-52.51
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300017086218	0	32	-1.0	-48.94	313.15	5.28	-43.66
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086219	0	38	-1.0	-47.43	315.95	5.85	-41.58
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300017086220	0	32	-1.0	-47.78	316.42	5.45	-42.33
COC1=CC2=C(C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1)OCC(=O)N2	REAL300017086221	0	42	-1.0	-52.05	362.26	1.18	-50.87
N#CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300017086222	0	30	-1.0	-51.98	296.41	3.72	-48.26
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300017086223	0	33	-1.0	-52.51	301.12	2.67	-49.84
COC1=CN=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086224	0	35	-1.0	-50.59	308.11	1.66	-48.93
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(Br)=C2F)C1	REAL300017086225	0	32	-1.0	-49.77	301.73	4.56	-45.21
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1OC	REAL300017086226	0	42	-1.0	-53.08	365.34	4.90	-48.18
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086227	0	36	-1.0	-52.74	334.79	1.47	-51.27
CCOC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086228	0	39	-1.0	-50.22	334.62	4.42	-45.80
CC1(C)CC2=CC=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=C2O1	REAL300017086229	0	43	-1.0	-51.89	361.44	5.39	-46.50
N#CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300017086230	0	36	-1.0	-52.79	339.91	5.38	-47.41
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086268	0	33	-1.0	-58.87	316.78	4.90	-53.97
CC1=CC=C(C#N)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086269	0	36	-1.0	-48.45	318.70	5.47	-42.98
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300017086270	0	46	-1.0	-56.52	386.68	3.60	-52.92
CC1CC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC(Cl)=C2O1	REAL300017086271	0	40	-1.0	-49.83	357.32	5.31	-44.52
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017086272	0	37	-1.0	-50.48	327.48	5.38	-45.10
CC1=CC=C(Br)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086273	0	35	-1.0	-50.37	321.11	5.59	-44.78
COC(=O)C1=COC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086274	0	35	-1.0	-52.53	323.41	2.93	-49.60
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300017086275	0	43	-1.0	-56.00	370.99	4.96	-51.04
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300017086276	0	34	-1.0	-51.88	315.54	3.67	-48.21
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086277	0	42	-1.0	-60.34	361.50	4.85	-55.49
COC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)SC=C1	REAL300017086278	0	33	-1.0	-52.29	303.56	3.23	-49.06
CC(=O)NC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1C	REAL300017086279	0	42	-1.0	-62.44	358.14	3.99	-58.45
O=C([O-])CC1CC(NS(=O)(=O)CCCC(F)(F)F)C1	REAL300017086280	0	34	-1.0	-56.36	308.30	3.77	-52.59
O=C([O-])CC1CC(NS(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300017086281	0	37	-1.0	-56.93	330.41	4.24	-52.69
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C1	REAL300017086282	0	38	-1.0	-54.48	330.59	1.74	-52.74
CN1CCCC2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C21	REAL300017086283	0	44	-1.0	-52.21	357.47	4.74	-47.47
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300017086284	0	34	-1.0	-50.71	318.25	3.43	-47.28
CC1=CC=C(Cl)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086285	0	35	-1.0	-53.08	318.16	5.41	-47.67
COC1=CC=CC(OC)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086286	0	40	-1.0	-52.92	336.03	4.73	-48.19
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CN=C1Cl	REAL300017086287	0	34	-1.0	-48.82	314.21	3.40	-45.42
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C1	REAL300017086288	0	38	-1.0	-53.49	334.93	3.24	-50.25
O=C([O-])CC1CC(NS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C1	REAL300017086289	0	31	-1.0	-50.14	304.70	3.94	-46.20
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300017086290	0	41	-1.0	-51.33	356.97	5.81	-45.52
CC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1C#N	REAL300017086291	0	36	-1.0	-58.04	320.49	4.99	-53.05
COC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC(OC)=C1	REAL300017086292	0	40	-1.0	-51.47	342.52	2.79	-48.68
N#CC1=CC=C(Cl)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086293	0	33	-1.0	-54.33	317.54	5.14	-49.19
CN1C=NC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C21	REAL300017086294	0	38	-1.0	-58.44	331.52	5.53	-52.91
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017086295	0	40	-1.0	-54.38	335.34	6.07	-48.31
CCC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1CC	REAL300017086296	0	44	-1.0	-49.86	360.25	6.76	-43.10
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086297	0	40	-1.0	-48.40	337.20	6.36	-42.04
CC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1Cl	REAL300017086298	0	35	-1.0	-53.54	315.48	5.33	-48.21
COC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C(C)O1	REAL300017086299	0	38	-1.0	-55.19	343.57	3.69	-51.50
CC1=C(C)SC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086300	0	35	-1.0	-51.68	317.63	4.58	-47.10
CC1=CC=CC(F)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086301	0	35	-1.0	-52.84	298.23	5.03	-47.81
NC1=NC=C(Cl)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086302	0	33	-1.0	-50.54	306.16	2.04	-48.50
CCC1=NC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300017086303	0	34	-1.0	-50.66	313.99	2.75	-47.91
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COC(=O)C1=NSC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086305	0	34	-1.0	-56.20	315.64	3.04	-53.16
COC(=O)C1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)SC=N1	REAL300017086306	1	34	-1.0	-53.66	324.16	1.93	-51.73
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC(C)=C1F	REAL300017086307	0	38	-1.0	-48.84	330.27	5.53	-43.31
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COC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CN1C	REAL300017086310	0	39	-1.0	-53.42	344.71	4.29	-49.13
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CC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1F	REAL300017086312	0	35	-1.0	-50.33	301.43	4.60	-45.73
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086313	0	43	-1.0	-53.50	365.71	6.02	-47.48
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CC1=CC(F)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086317	0	35	-1.0	-47.98	311.37	4.92	-43.06
COC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CN=C1Cl	REAL300017086318	0	35	-1.0	-49.68	324.39	2.16	-47.52
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COC(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300017086320	0	37	-1.0	-51.47	334.29	3.02	-48.45
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COCC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086322	0	39	-1.0	-50.38	338.32	3.92	-46.46
COC1=CC(C#N)=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086323	0	37	-1.0	-50.83	332.33	4.38	-46.45
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086324	0	38	-1.0	-49.69	355.06	5.35	-44.34
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CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300017086326	0	38	-1.0	-50.16	332.57	1.81	-48.35
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CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C21	REAL300017086329	0	46	-1.0	-59.24	376.51	5.83	-53.41
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COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086332	0	42	-1.0	-61.29	363.97	1.58	-59.71
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COC(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(F)(F)F	REAL300017086334	0	41	-1.0	-54.87	368.19	5.66	-49.21
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086335	0	41	-1.0	-52.42	356.98	6.67	-45.75
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COCCNC(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086338	0	46	-1.0	-55.08	394.80	2.39	-52.69
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086339	0	45	-1.0	-52.09	388.09	5.54	-46.55
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1C	REAL300017086340	0	44	-1.0	-52.27	375.95	6.30	-45.97
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086341	0	44	-1.0	-53.87	382.08	6.55	-47.32
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1OC	REAL300017086342	0	43	-1.0	-53.93	379.47	3.94	-49.99
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C(F)C=C1C	REAL300017086343	0	44	-1.0	-49.37	373.74	6.07	-43.30
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CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086345	0	41	-1.0	-52.16	357.72	5.52	-46.64
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CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086347	0	46	-1.0	-55.31	402.40	1.99	-53.32
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CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CN1C	REAL300017086349	0	44	-1.0	-52.39	385.55	5.40	-46.99
O=C([O-])CC1CC(NS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300017086350	0	36	-1.0	-50.66	329.47	5.08	-45.58
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CC1=NC(Cl)=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086352	0	34	-1.0	-50.13	310.79	3.67	-46.46
CC1=NC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C(Br)N1C	REAL300017086353	0	35	-1.0	-52.55	324.31	3.64	-48.91
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COC(=O)C(C)(C)CS(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086355	0	40	-1.0	-53.79	331.96	4.07	-49.72
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086356	0	45	-1.0	-54.52	377.22	5.05	-49.47
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(F)=C1	REAL300017086357	0	38	-1.0	-50.83	335.84	4.61	-46.22
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086358	0	43	-1.0	-54.62	381.56	3.47	-51.15
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300017086359	0	47	-1.0	-52.51	396.18	7.02	-45.49
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086360	0	44	-1.0	-57.75	386.91	3.41	-54.34
COC(=O)C1(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)CCCC1	REAL300017086361	0	44	-1.0	-51.47	357.43	5.27	-46.20
COCC1=CC(Cl)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086362	0	39	-1.0	-49.90	355.35	4.42	-45.48
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300017086363	0	38	-1.0	-48.63	337.67	5.70	-42.93
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COC(=O)CC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086365	0	41	-1.0	-54.13	360.21	5.63	-48.50
O=C([O-])CC1CC(NS(=O)(=O)CC23CCC(CC2)C3)C1	REAL300017086366	0	42	-1.0	-47.68	332.28	5.57	-42.11
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COC(=O)C1(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)CCC1	REAL300017086368	0	41	-1.0	-52.79	342.60	4.62	-48.17
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COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086370	0	45	-1.0	-53.30	393.40	4.55	-48.75
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086371	0	48	-1.0	-53.14	415.26	5.48	-47.66
COC(=O)C1(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)CCCCC1	REAL300017086372	0	47	-1.0	-52.39	370.03	5.96	-46.43
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086373	0	40	-1.0	-53.47	352.14	5.21	-48.26
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=N1	REAL300017086374	1	34	-1.0	-55.45	311.10	3.11	-52.34
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CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC1CC(CC(=O)[O-])C1)=C2	REAL300017086376	0	45	-1.0	-54.16	383.40	8.02	-46.14
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COC1=CC=C(Br)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1F	REAL300017086379	0	36	-1.0	-53.70	327.02	4.26	-49.44
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086380	0	42	-1.0	-49.40	359.32	6.41	-42.99
CC(C)(CCS(=O)(=O)NC1CC(CC(=O)[O-])C1)C1CC1	REAL300017086381	0	44	-1.0	-55.65	347.33	5.60	-50.05
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CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C(C(N)=O)O1	REAL300017086385	0	36	-1.0	-57.79	325.25	-0.26	-58.05
CCCC1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086389	0	41	-1.0	-48.17	336.31	6.71	-41.46
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CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086393	0	48	-1.0	-51.70	399.76	7.06	-44.64
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CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C21	REAL300017086395	0	52	-1.0	-57.24	409.00	6.59	-50.65
COC(=O)C1=CN(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086396	0	39	-1.0	-57.42	341.37	4.37	-53.05
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C21	REAL300017086397	0	46	-1.0	-51.90	378.77	4.27	-47.63
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CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C21	REAL300017086399	0	46	-1.0	-64.24	384.08	6.13	-58.11
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CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086463	0	50	-1.0	-47.81	392.98	8.06	-39.75
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CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086469	0	45	-1.0	-56.74	373.04	2.60	-54.14
COC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017086470	0	41	-1.0	-58.71	347.09	5.54	-53.17
CCCC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086471	0	41	-1.0	-49.26	347.65	6.40	-42.86
COC(=O)C1=NN(C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086472	0	38	-1.0	-54.21	340.25	2.52	-51.69
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CN1N=C2CCCC2=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086474	0	39	-1.0	-52.22	327.75	3.67	-48.55
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COC(=O)C1=CC2=CC=C(S(=O)(=O)NC3CC(CC(=O)[O-])C3)C=C2C=C1	REAL300017086476	0	44	-1.0	-52.70	384.22	7.10	-45.60
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086477	0	41	-1.0	-50.44	330.09	4.13	-46.31
CC(C)(C)N1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300017086478	0	41	-1.0	-50.80	348.03	3.90	-46.90
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CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300017086480	0	37	-1.0	-49.30	334.45	4.00	-45.30
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CCCC(=O)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086488	0	43	-1.0	-53.61	367.84	6.23	-47.38
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CC1(C)OC(=O)C2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C21	REAL300017086490	0	42	-1.0	-54.29	363.78	5.87	-48.42
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COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086494	0	42	-1.0	-49.93	379.43	4.96	-44.97
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COC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=CS1	REAL300017086498	0	33	-1.0	-49.39	305.85	2.61	-46.78
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COC(=O)C1=C(C)SC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086500	0	38	-1.0	-51.19	348.95	4.48	-46.71
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CCC(C)N1N=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086503	0	41	-1.0	-50.02	343.20	4.10	-45.92
CNC(=O)NC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086504	0	41	-1.0	-57.53	354.46	1.71	-55.82
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COC1=CC(F)=C(F)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086507	0	36	-1.0	-47.92	324.22	4.08	-43.84
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CC(F)(F)C1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086509	0	38	-1.0	-50.04	336.48	5.72	-44.32
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COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300017086512	0	33	-1.0	-49.15	307.03	2.64	-46.51
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CCN1N=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1Cl	REAL300017086524	0	35	-1.0	-49.37	325.33	3.07	-46.30
O=C([O-])CC1CC(NS(=O)(=O)C=CC2=CC=CC=C2Br)C1	REAL300017086525	0	36	-1.0	-49.04	333.70	5.89	-43.15
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC1CC(CC(=O)[O-])C1)=C2	REAL300017086526	0	38	-1.0	-50.43	368.34	5.42	-45.01
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300017086528	0	34	-1.0	-50.33	316.72	3.16	-47.17
O=C([O-])CC1CC(NS(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C1	REAL300017086529	0	37	-1.0	-56.25	339.72	5.38	-50.87
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C1	REAL300017086530	0	37	-1.0	-57.87	336.37	5.20	-52.67
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=CC=CC=C12	REAL300017086531	0	41	-1.0	-52.47	341.93	7.08	-45.39
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086532	0	36	-1.0	-54.15	333.50	5.21	-48.94
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OCCF)C=C2)C1	REAL300017086533	0	39	-1.0	-52.44	341.17	4.56	-47.88
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C21	REAL300017086534	0	46	-1.0	-51.55	388.13	5.70	-45.85
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300017086535	0	32	-1.0	-49.19	311.13	4.79	-44.40
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)O1	REAL300017086536	0	38	-1.0	-60.65	347.18	0.48	-60.17
CN1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300017086537	0	42	-1.0	-55.87	356.68	5.62	-50.25
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C1	REAL300017086538	0	38	-1.0	-50.24	352.19	1.77	-48.47
O=C([O-])CC1CC(NS(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300017086539	0	36	-1.0	-49.69	321.56	5.45	-44.24
O=C([O-])CC1CC(NS(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300017086540	0	36	-1.0	-48.17	336.73	5.99	-42.18
O=C([O-])CC1CC(NS(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300017086541	0	36	-1.0	-49.24	336.44	6.01	-43.23
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300017086542	0	36	-1.0	-48.85	327.06	5.51	-43.34
COC(=O)C1CCCCN1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086543	0	43	-1.0	-53.83	343.42	4.78	-49.05
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C21	REAL300017086544	0	54	-1.0	-50.07	412.82	8.37	-41.70
N#CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017086545	0	35	-1.0	-52.97	328.70	5.00	-47.97
COC1=CC=C(C=C(C)S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086546	0	43	-1.0	-49.54	356.75	5.04	-44.50
COC(=O)C=CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086547	0	42	-1.0	-52.79	369.91	6.09	-46.70
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=NN1	REAL300017086548	0	38	-1.0	-50.15	343.19	1.99	-48.16
COC1=CSC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1OC	REAL300017086549	0	37	-1.0	-50.76	337.13	2.87	-47.89
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)NC1CC(CC(=O)[O-])C1)C2	REAL300017086550	0	49	-1.0	-52.20	349.69	8.79	-43.41
O=C([O-])CC1CC(NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300017086551	0	44	-1.0	-46.77	343.60	4.63	-42.14
CN(CCC1=CC=CC=C1)S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086552	0	43	-1.0	-48.11	362.11	6.03	-42.08
O=C([O-])CC1CC(NC(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300017086553	0	43	-1.0	-52.50	357.71	10.98	-41.52
O=C([O-])CC1CC(NC(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300017086554	0	49	-1.0	-49.81	378.59	10.41	-39.40
CC(C)(C)OC(=O)N1CCN(C(=O)NC2CC(CC(=O)[O-])C2)CC1	REAL300017086555	0	50	-1.0	-51.37	383.34	6.96	-44.41
CN(C(=O)NC1CC(CC(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300017086556	0	39	-1.0	-55.62	320.12	2.89	-52.73
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NC1CC(CC(=O)[O-])C1	REAL300017086557	0	51	-1.0	-51.89	397.48	7.49	-44.40
COC(=O)C1CN(C(=O)NC2CC(CC(=O)[O-])C2)CCO1	REAL300017086558	0	40	-1.0	-52.56	327.41	5.25	-47.31
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086559	0	36	-1.0	-48.94	335.98	5.40	-43.54
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300017086560	0	36	-1.0	-52.62	332.01	4.94	-47.68
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300017086561	0	36	-1.0	-50.95	328.73	3.84	-47.11
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086562	0	38	-1.0	-52.58	326.64	4.20	-48.38
CN1C=CC2=CC(S(=O)(=O)NC3CC(CC(=O)[O-])C3)=CC=C21	REAL300017086563	0	39	-1.0	-52.55	337.25	5.94	-46.61
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C1	REAL300017086564	0	35	-1.0	-55.95	312.68	5.71	-50.24
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300017086565	0	41	-1.0	-49.41	362.41	4.68	-44.73
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300017086566	0	29	-1.0	-48.10	309.05	4.27	-43.83
CN1N=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1Cl	REAL300017086567	0	32	-1.0	-49.49	293.53	1.86	-47.63
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086568	0	45	-1.0	-54.48	374.69	6.54	-47.94
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300017086569	0	49	-1.0	-52.35	401.58	6.11	-46.24
O=C([O-])CC1CC(NS(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300017086570	0	35	-1.0	-52.61	337.78	5.50	-47.11
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C1	REAL300017086571	0	37	-1.0	-52.53	335.92	4.87	-47.66
COC(=O)[C@@H]1CCCN1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086572	0	40	-1.0	-60.80	335.05	3.92	-56.88
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300017086573	0	43	-1.0	-50.97	373.67	7.12	-43.85
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086574	0	38	-1.0	-53.74	318.07	6.11	-47.63
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C1	REAL300017086575	0	37	-1.0	-51.66	338.41	2.76	-48.90
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300017086576	0	33	-1.0	-51.63	325.10	2.96	-48.67
COCN1N=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086577	0	36	-1.0	-53.24	316.34	0.44	-52.80
CC1=CC(Cl)=NC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086578	0	34	-1.0	-51.69	311.07	3.66	-48.03
C=C(C)COC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086579	0	43	-1.0	-50.43	366.93	5.82	-44.61
CCN1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C2CC2)=N1	REAL300017086580	0	42	-1.0	-52.71	362.31	4.89	-47.82
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=NSN=C2C=C1	REAL300017086581	0	36	-1.0	-58.11	321.99	3.56	-54.55
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300017086582	0	38	-1.0	-49.31	346.18	6.97	-42.34
CC(=O)OC1CCN(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C1	REAL300017086583	0	40	-1.0	-53.48	341.35	3.26	-50.22
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300017086584	0	42	-1.0	-49.22	374.47	8.12	-41.10
CCC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1Br	REAL300017086585	0	38	-1.0	-48.37	342.31	6.07	-42.30
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086586	0	45	-1.0	-50.65	370.01	5.34	-45.31
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300017086587	0	29	-1.0	-48.03	292.05	3.71	-44.32
COCCC1=CC=C(OC)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086588	0	46	-1.0	-52.33	379.86	4.56	-47.77
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300017086589	0	38	-1.0	-52.15	342.08	7.04	-45.11
CN1N=C2CCOCC2=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086590	0	40	-1.0	-51.85	330.66	1.84	-50.01
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300017086591	0	39	-1.0	-49.03	326.44	6.40	-42.63
CC1(C)CCN(S(=O)(=O)NC2CC(CC(=O)[O-])C2)CC1	REAL300017086592	0	43	-1.0	-48.02	333.26	4.15	-43.87
CC(=O)OCC1CCN(S(=O)(=O)NC2CC(CC(=O)[O-])C2)CC1	REAL300017086593	0	46	-1.0	-54.77	376.13	4.84	-49.93
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086594	0	46	-1.0	-55.31	391.84	4.86	-50.45
O=C([O-])CC1CC(NS(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300017086595	0	42	-1.0	-51.28	339.24	1.53	-49.75
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=N1	REAL300017086596	0	38	-1.0	-49.52	326.01	1.67	-47.85
COC1=NC=C(C)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086597	0	38	-1.0	-51.13	331.06	1.97	-49.16
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300017086598	0	47	-1.0	-50.78	385.14	4.57	-46.21
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086599	0	35	-1.0	-48.84	326.36	1.81	-47.03
COC1=NC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C	REAL300017086600	0	38	-1.0	-49.56	330.87	1.60	-47.96
CC(C)CN1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=N1	REAL300017086601	0	41	-1.0	-52.28	350.95	4.29	-47.99
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086602	0	41	-1.0	-52.29	333.79	3.43	-48.86
O=C([O-])CC1CC(NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300017086603	0	31	-1.0	-53.22	308.67	2.29	-50.93
N#CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)SC=C1	REAL300017086604	0	30	-1.0	-57.28	293.58	3.37	-53.91
O=C([O-])CC1CC(NS(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C1	REAL300017086605	0	36	-1.0	-47.49	346.40	6.31	-41.18
CC(C)N1N=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086606	0	38	-1.0	-50.55	325.69	3.44	-47.11
COC(=O)C1=NC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C	REAL300017086607	0	40	-1.0	-50.98	350.35	3.56	-47.42
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086608	0	35	-1.0	-56.15	321.39	6.07	-50.08
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300017086609	0	39	-1.0	-50.00	331.50	4.10	-45.90
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300017086610	0	39	-1.0	-54.19	334.42	5.49	-48.70
COC1=NOC(CS(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086611	0	35	-1.0	-53.07	314.99	0.47	-52.60
O=C([O-])CC1CC(NS(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300017086612	0	37	-1.0	-56.10	318.36	4.59	-51.51
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=NN1C(C)C	REAL300017086613	0	41	-1.0	-49.18	346.49	3.99	-45.19
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300017086614	0	39	-1.0	-50.14	343.12	6.39	-43.75
O=C([O-])CC1CC(NS(=O)(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300017086615	0	34	-1.0	-51.04	310.88	3.22	-47.82
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086616	0	46	-1.0	-50.67	392.84	7.76	-42.91
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300017086617	0	39	-1.0	-50.88	344.77	6.43	-44.45
O=C([O-])CC1CC(NC(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300017086618	0	39	-1.0	-49.04	317.84	7.12	-41.92
O=C([O-])CC1CC(NS(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)C1	REAL300017086619	0	36	-1.0	-52.77	334.43	4.63	-48.14
O=C([O-])CC1CC(NC(=O)N2CC=C(Br)CC2)C1	REAL300017086620	0	34	-1.0	-49.17	293.81	6.74	-42.43
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(F)F)=CC=C2F)C1	REAL300017086621	0	35	-1.0	-52.56	323.31	5.16	-47.40
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086622	0	40	-1.0	-57.31	339.72	-0.04	-57.35
O=C([O-])CC1CC(NS(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300017086623	0	39	-1.0	-48.56	314.53	2.32	-46.24
N#CC1CCN(S(=O)(=O)NC2CC(CC(=O)[O-])C2)CC1	REAL300017086624	0	38	-1.0	-51.43	321.52	3.69	-47.74
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C1	REAL300017086626	0	39	-1.0	-50.55	338.86	6.56	-43.99
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(Cl)=C1Cl	REAL300017086627	0	35	-1.0	-52.73	330.66	5.80	-46.93
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300017086628	0	36	-1.0	-47.13	327.10	3.74	-43.39
O=C([O-])CC1CC(NS(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C1	REAL300017086629	0	39	-1.0	-51.72	346.81	5.09	-46.63
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C(F)F)=C1	REAL300017086630	0	39	-1.0	-49.31	331.59	4.06	-45.25
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086631	0	38	-1.0	-48.79	348.74	2.32	-46.47
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C2=NC=CC=C12	REAL300017086632	0	40	-1.0	-55.50	332.70	5.94	-49.56
O=C([O-])CC1CC(NC(=O)N2CC(OCC3=CC=CC=C3)C2)C1	REAL300017086633	0	44	-1.0	-50.80	366.18	7.52	-43.28
CC(C)(C)OC(=O)NC1CN(C(=O)NC2CC(CC(=O)[O-])C2)C1	REAL300017086634	0	47	-1.0	-53.03	377.03	4.30	-48.73
CC(=O)OCC1CCN(C(=O)NC2CC(CC(=O)[O-])C2)CC1	REAL300017086635	0	45	-1.0	-52.83	357.55	7.79	-45.04
O=C([O-])CC1CC(NS(=O)(=O)N2CC=C(Br)CC2)C1	REAL300017086636	0	35	-1.0	-48.91	311.67	3.76	-45.15
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086638	0	45	-1.0	-51.29	363.01	6.34	-44.95
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C(Cl)S1	REAL300017086639	0	32	-1.0	-45.71	308.99	4.64	-41.07
O=C([O-])CC1CC(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)C1	REAL300017086640	0	39	-1.0	-53.13	356.33	5.13	-48.00
O=C([O-])CC1CC(NS(=O)(=O)C2=C3CCCCN3N=C2)C1	REAL300017086641	0	39	-1.0	-52.09	327.70	3.52	-48.57
CC(C)COC[C@H](NS(=O)(=O)C1=CN(C)N=C1)C(=O)[O-]	REAL300017086642	0	38	-1.0	-47.45	334.19	1.57	-45.88
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086647	0	41	-1.0	-46.59	351.06	4.53	-42.06
CC(C)COC[C@H](NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300017086648	0	38	-1.0	-41.54	352.79	4.45	-37.09
CC(C)COC[C@H](NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21)C(=O)[O-]	REAL300017086666	0	52	-1.0	-56.83	430.62	10.53	-46.30
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300017086667	0	43	-1.0	-53.07	385.80	-1.15	-54.22
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=CC=C1C#N)C(=O)[O-]	REAL300017086668	0	42	-1.0	-51.98	369.27	4.75	-47.23
CC1=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017086669	0	46	-1.0	-46.37	391.31	5.59	-40.78
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1C	REAL300017086670	0	46	-1.0	-44.44	389.93	5.95	-38.49
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300017086671	0	44	-1.0	-49.44	374.13	3.01	-46.43
CC(C)COC[C@H](NS(=O)(=O)C=CC1=CC=CC=C1)C(=O)[O-]	REAL300017086672	0	42	-1.0	-50.23	363.47	5.08	-45.15
CC(C)COC[C@H](NS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300017086673	0	44	-1.0	-54.68	377.36	2.90	-51.78
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086674	0	44	-1.0	-50.81	367.98	2.93	-47.88
CC1=NNC(C)=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086675	0	41	-1.0	-48.31	347.63	1.72	-46.59
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300017086676	0	41	-1.0	-45.19	361.40	1.36	-43.83
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=CC=C1)C(=O)[O-]	REAL300017086677	0	41	-1.0	-46.54	350.90	4.51	-42.03
COC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086678	0	42	-1.0	-47.54	361.06	3.19	-44.35
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017086679	0	40	-1.0	-53.31	348.90	5.37	-47.94
CCOC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086680	0	45	-1.0	-47.47	382.91	4.12	-43.35
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300017086681	0	38	-1.0	-45.89	329.80	3.59	-42.30
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300017086682	0	38	-1.0	-43.81	337.97	3.96	-39.85
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1)C(=O)[O-]	REAL300017086683	0	38	-1.0	-44.20	336.06	3.93	-40.27
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1C	REAL300017086684	0	50	-1.0	-46.66	390.19	6.50	-40.16
CC1=CC(C)=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C(C)=C1	REAL300017086685	0	47	-1.0	-47.40	378.72	6.10	-41.30
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086686	0	53	-1.0	-45.47	417.01	6.96	-38.51
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017086687	0	38	-1.0	-42.24	361.58	4.84	-37.40
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300017086688	0	38	-1.0	-43.34	342.36	3.98	-39.36
CC(C)COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300017086689	0	38	-1.0	-56.18	361.87	4.95	-51.23
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017086690	0	41	-1.0	-43.82	368.39	4.86	-38.96
CC1=CC=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086691	0	41	-1.0	-47.67	352.97	4.56	-43.11
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017086692	0	41	-1.0	-46.63	351.29	5.26	-41.37
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)[O-]	REAL300017086693	0	38	-1.0	-49.62	323.39	3.53	-46.09
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017086694	0	38	-1.0	-44.00	346.38	4.38	-39.62
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086695	0	43	-1.0	-48.83	370.88	4.28	-44.55
CC1=CC=C(C)C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086696	0	44	-1.0	-45.14	362.20	5.30	-39.84
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1C	REAL300017086697	0	44	-1.0	-48.22	369.74	5.10	-43.12
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300017086698	0	39	-1.0	-42.45	356.37	4.29	-38.16
CC(C)COC[C@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	REAL300017086699	0	48	-1.0	-43.80	384.32	3.09	-40.71
CC1=CC(C)=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])S1	REAL300017086700	0	41	-1.0	-47.32	361.67	4.52	-42.80
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300017086701	0	47	-1.0	-48.93	394.49	5.46	-43.47
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300017086702	0	39	-1.0	-50.05	352.31	3.52	-46.53
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017086703	0	44	-1.0	-47.26	388.06	5.51	-41.75
CC(C)COC[C@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300017086704	0	41	-1.0	-50.62	366.35	2.75	-47.87
CC1=CC=CC(C)=C1CS(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086705	0	47	-1.0	-46.46	380.87	5.76	-40.70
CC(C)COC[C@H](NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017086706	0	40	-1.0	-42.83	366.16	5.83	-37.00
COC(=O)C1=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C(F)C=C1C	REAL300017086707	0	47	-1.0	-46.64	395.36	4.75	-41.89
CC(C)COC[C@H](NS(=O)(=O)C1=C(F)C=CS1)C(=O)[O-]	REAL300017086708	0	35	-1.0	-40.26	317.07	2.58	-37.68
CC(C)COC[C@H](NS(=O)(=O)CCC1CCOC1)C(=O)[O-]	REAL300017086709	0	45	-1.0	-45.45	369.43	2.36	-43.09
COC(CS(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300017086710	0	48	-1.0	-47.60	405.53	4.90	-42.70
CC(C)COC[C@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300017086711	0	47	-1.0	-49.66	383.90	5.03	-44.63
CC(C)COC[C@H](NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300017086712	0	48	-1.0	-48.46	409.41	4.63	-43.83
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300017086713	0	43	-1.0	-48.94	369.18	5.33	-43.61
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086714	0	50	-1.0	-46.18	430.56	6.17	-40.01
CC(C)COC[C@H](NS(=O)(=O)CC1CC(F)(F)C1)C(=O)[O-]	REAL300017086715	0	41	-1.0	-41.94	354.43	3.80	-38.14
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086716	0	45	-1.0	-45.09	398.20	4.17	-40.92
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300017086717	0	45	-1.0	-46.35	378.87	5.96	-40.39
COC1=CC=C2C=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])CCC2=C1	REAL300017086718	0	50	-1.0	-49.02	415.40	5.59	-43.43
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300017086719	0	46	-1.0	-48.29	392.08	4.86	-43.43
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017086720	0	38	-1.0	-43.39	354.17	4.46	-38.93
CC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086721	0	43	-1.0	-52.99	374.33	4.37	-48.62
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C(C)=C1	REAL300017086722	0	44	-1.0	-46.36	365.94	5.42	-40.94
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017086723	0	38	-1.0	-55.51	360.33	4.90	-50.61
COC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017086724	0	44	-1.0	-47.23	385.16	4.60	-42.63
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300017086725	0	50	-1.0	-46.85	405.87	6.18	-40.67
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300017086726	0	47	-1.0	-46.54	389.88	5.79	-40.75
CCC(C)C1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086727	0	50	-1.0	-46.05	408.33	6.45	-39.60
CC(C)COC[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017086728	0	38	-1.0	-46.50	351.73	5.11	-41.39
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300017086729	0	35	-1.0	-43.47	340.53	3.51	-39.96
CCCC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086730	0	47	-1.0	-46.85	395.95	6.11	-40.74
COC1=CC=CC=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086731	0	42	-1.0	-47.27	343.78	3.70	-43.57
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086732	0	49	-1.0	-54.27	400.31	2.75	-51.52
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300017086733	0	38	-1.0	-49.29	337.17	3.68	-45.61
CC(C)COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300017086734	0	38	-1.0	-41.82	363.11	4.89	-36.93
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC=C1Cl)C(=O)[O-]	REAL300017086735	0	38	-1.0	-45.55	339.46	4.34	-41.21
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300017086736	0	38	-1.0	-43.98	350.94	4.48	-39.50
CC(C)COC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017086737	1	38	-1.0	-50.06	339.71	4.16	-45.90
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300017086738	0	37	-1.0	-44.52	341.51	2.51	-42.01
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300017086739	0	39	-1.0	-44.42	352.40	4.28	-40.14
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300017086740	0	39	-1.0	-42.62	350.48	4.25	-38.37
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300017086741	0	38	-1.0	-45.56	340.13	4.05	-41.51
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC=C1C#N)C(=O)[O-]	REAL300017086742	0	39	-1.0	-49.82	349.48	4.18	-45.64
CC1=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=CC=C1Br	REAL300017086743	0	41	-1.0	-43.61	369.16	5.04	-38.57
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300017086744	0	38	-1.0	-44.96	342.34	4.50	-40.46
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017086745	0	42	-1.0	-43.33	377.55	3.68	-39.65
CC1=C(C)C(C)=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C(C)=C1C	REAL300017086746	0	53	-1.0	-49.78	405.28	6.95	-42.83
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300017086747	0	47	-1.0	-47.22	394.37	3.83	-43.39
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017086748	0	43	-1.0	-49.71	375.76	5.08	-44.63
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300017086749	0	35	-1.0	-43.63	345.16	3.62	-40.01
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086750	0	56	-1.0	-47.61	433.53	7.75	-39.86
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300017086751	0	54	-1.0	-47.37	433.43	7.70	-39.67
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300017086752	0	41	-1.0	-43.32	370.29	4.89	-38.43
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300017086753	0	48	-1.0	-48.72	394.29	6.38	-42.34
COC1=CC=C(OC)C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086754	0	46	-1.0	-47.65	371.12	3.28	-44.37
COC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1OC	REAL300017086755	0	46	-1.0	-50.21	390.30	3.10	-47.11
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300017086756	0	45	-1.0	-47.92	375.16	5.77	-42.15
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086757	0	40	-1.0	-46.82	344.64	2.86	-43.96
COC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C(OC)=C1	REAL300017086758	0	46	-1.0	-48.42	373.13	2.99	-45.43
CC(C)COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300017086759	0	46	-1.0	-49.13	385.95	6.29	-42.84
CC1=CC(Cl)=C(C)C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1Cl	REAL300017086760	0	44	-1.0	-44.85	386.47	6.22	-38.63
CCC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086761	0	44	-1.0	-46.23	372.55	5.30	-40.93
CC(C)COC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300017086762	0	38	-1.0	-45.33	330.94	3.61	-41.72
COC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086763	0	45	-1.0	-47.72	365.39	4.54	-43.18
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086764	0	41	-1.0	-43.46	365.19	5.36	-38.10
COC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1NC(C)=O	REAL300017086765	0	49	-1.0	-56.48	416.19	2.20	-54.28
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300017086766	0	46	-1.0	-45.55	389.47	3.05	-42.50
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)NC2=C1)C(=O)[O-]	REAL300017086767	0	42	-1.0	-46.24	367.31	0.71	-45.53
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CC2=C1)C(=O)[O-]	REAL300017086768	0	43	-1.0	-45.84	373.34	2.35	-43.49
CCOC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1OCC	REAL300017086769	0	52	-1.0	-49.58	432.09	4.90	-44.68
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300017086770	0	38	-1.0	-44.12	348.30	4.41	-39.71
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300017086771	0	38	-1.0	-44.12	352.86	4.52	-39.60
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017086772	0	40	-1.0	-43.04	359.79	4.56	-38.48
CC(C)COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300017086773	0	44	-1.0	-49.76	377.26	6.18	-43.58
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300017086774	0	38	-1.0	-46.83	331.55	3.89	-42.94
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086775	0	45	-1.0	-50.91	386.03	2.73	-48.18
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017086776	0	40	-1.0	-47.21	357.87	4.53	-42.68
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086777	0	43	-1.0	-43.15	369.15	5.31	-37.84
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CS1)C(=O)[O-]	REAL300017086778	0	35	-1.0	-45.56	323.25	2.90	-42.66
CC(C)COC[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017086779	0	41	-1.0	-49.11	367.74	4.34	-44.77
CC(C)COC[C@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300017086780	0	41	-1.0	-46.75	371.13	5.52	-41.23
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017086781	0	47	-1.0	-53.66	411.59	2.03	-51.63
CC(C)COC[C@H](NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300017086782	0	41	-1.0	-50.79	346.84	4.03	-46.76
CC(C)COC[C@H](NS(=O)(=O)CCC1CCCC1)C(=O)[O-]	REAL300017086783	0	47	-1.0	-44.87	379.68	4.94	-39.93
CC(C)COC[C@H](NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300017086784	0	50	-1.0	-45.28	396.18	5.53	-39.75
CC(C)COC[C@H](NS(=O)(=O)C1=CNN=C1Cl)C(=O)[O-]	REAL300017086785	0	35	-1.0	-49.15	313.51	0.13	-49.02
CC1=CC2=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C2C=C1	REAL300017086786	0	47	-1.0	-49.56	396.94	6.80	-42.76
CC(C)COC[C@H](NS(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300017086787	0	35	-1.0	-39.59	326.77	2.99	-36.60
CC1=CSC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086788	0	38	-1.0	-46.00	345.13	3.55	-42.45
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C(=O)[O-]	REAL300017086789	0	51	-1.0	-50.74	427.57	4.25	-46.49
CC(C)COC[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017086790	0	41	-1.0	-50.57	369.69	4.99	-45.58
CC(C)COC[C@H](NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300017086791	0	44	-1.0	-53.50	368.34	5.77	-47.73
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C(CC)=C1	REAL300017086792	0	56	-1.0	-45.01	425.03	8.25	-36.76
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300017086793	0	43	-1.0	-50.19	367.37	3.74	-46.45
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086794	0	46	-1.0	-45.72	385.08	5.80	-39.92
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300017086795	0	45	-1.0	-52.05	387.56	3.66	-48.39
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300017086796	0	40	-1.0	-47.38	377.83	3.78	-43.60
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1Cl	REAL300017086797	0	46	-1.0	-44.74	387.15	3.86	-40.88
COC1=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=CC=C1Cl	REAL300017086798	0	42	-1.0	-45.82	377.10	3.75	-42.07
CC(C)COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300017086799	0	41	-1.0	-43.52	355.09	1.04	-42.48
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300017086800	0	41	-1.0	-50.27	370.62	2.95	-47.32
CC1=CC=CC(Cl)=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086801	0	41	-1.0	-45.67	352.91	5.24	-40.43
CC(C)COC[C@H](NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300017086802	0	45	-1.0	-46.84	378.90	5.92	-40.92
CC(C)COC[C@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300017086803	0	51	-1.0	-46.35	411.89	4.26	-42.09
CC(C)COC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300017086804	0	42	-1.0	-42.94	357.49	4.12	-38.82
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300017086805	0	43	-1.0	-50.96	354.54	3.79	-47.17
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1F	REAL300017086806	0	47	-1.0	-48.92	413.97	5.38	-43.54
CC1=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300017086807	0	47	-1.0	-49.25	395.94	6.78	-42.47
CC1=CC(F)=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C(F)=C1	REAL300017086808	0	41	-1.0	-48.96	359.21	4.81	-44.15
CC(C)COC[C@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-]	REAL300017086809	0	45	-1.0	-46.99	381.18	3.16	-43.83
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300017086810	0	42	-1.0	-43.68	371.76	4.91	-38.77
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1)C(=O)[O-]	REAL300017086811	0	48	-1.0	-50.97	402.22	3.73	-47.24
COC1=CC=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086812	0	42	-1.0	-48.98	361.06	3.19	-45.79
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017086813	0	41	-1.0	-45.64	370.53	5.08	-40.56
CC(C)COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017086814	0	38	-1.0	-45.10	340.14	4.05	-41.05
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300017086815	0	49	-1.0	-56.59	419.62	3.87	-52.72
COC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086816	0	42	-1.0	-43.48	348.07	4.06	-39.42
CCC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017086817	0	46	-1.0	-50.00	394.12	5.73	-44.27
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300017086818	0	43	-1.0	-52.72	368.47	4.41	-48.31
CC(=O)NC1=NC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])S1	REAL300017086819	0	41	-1.0	-54.01	376.51	1.40	-52.61
COC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=N1	REAL300017086820	0	41	-1.0	-46.23	356.82	0.56	-45.67
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])O1	REAL300017086821	0	38	-1.0	-48.99	335.92	2.73	-46.26
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)C2=C1)C(=O)[O-]	REAL300017086823	0	46	-1.0	-46.24	394.54	2.94	-43.30
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300017086824	0	44	-1.0	-48.13	382.30	1.12	-47.01
CC(C)CCC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086825	0	53	-1.0	-46.64	435.02	7.40	-39.24
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=CC=C21	REAL300017086826	0	49	-1.0	-56.32	410.21	4.93	-51.39
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300017086827	0	43	-1.0	-47.63	365.57	3.71	-43.92
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300017086828	0	49	-1.0	-55.47	407.46	4.98	-50.49
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017086829	0	42	-1.0	-42.20	386.32	5.04	-37.16
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C)C(=O)[O-]	REAL300017086830	0	46	-1.0	-47.47	394.86	4.35	-43.12
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300017086831	0	43	-1.0	-46.16	377.34	5.36	-40.80
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300017086832	0	44	-1.0	-50.21	385.70	3.85	-46.36
CC(C)COC[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300017086833	0	43	-1.0	-48.94	389.40	4.72	-44.22
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300017086834	0	42	-1.0	-43.93	377.56	3.68	-40.25
CC(C)COC[C@H](NS(=O)(=O)C1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300017086835	0	38	-1.0	-42.15	342.46	3.99	-38.16
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])S1	REAL300017086836	0	38	-1.0	-45.64	343.47	3.67	-41.97
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017086837	0	40	-1.0	-42.48	372.34	5.13	-37.35
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])S1	REAL300017086838	0	45	-1.0	-49.01	404.23	2.04	-46.97
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086839	0	48	-1.0	-59.79	402.38	3.72	-56.07
CC(C)COC[C@H](NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017086840	0	35	-1.0	-52.59	354.87	4.01	-48.58
CC(=O)N1CCCC2=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=CC=C21	REAL300017086841	0	52	-1.0	-58.89	421.20	5.41	-53.48
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086842	0	44	-1.0	-47.43	386.34	4.55	-42.88
CNC(=O)C1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086843	0	45	-1.0	-51.51	388.00	2.17	-49.34
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300017086844	0	42	-1.0	-49.77	364.16	0.64	-49.13
CC(=O)N1C2=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C2CC1C	REAL300017086845	0	52	-1.0	-57.09	424.02	5.43	-51.66
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])S1	REAL300017086846	0	41	-1.0	-45.46	379.43	3.65	-41.81
CC(C)COC[C@H](NS(=O)(=O)N1CCCCCC1)C(=O)[O-]	REAL300017086847	0	46	-1.0	-44.84	364.37	3.99	-40.85
CCOC(=O)C1=CNN=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086848	0	44	-1.0	-56.04	384.43	2.48	-53.56
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300017086849	0	44	-1.0	-46.35	386.21	0.85	-45.50
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CN=C1Cl)C(=O)[O-]	REAL300017086850	0	37	-1.0	-55.76	340.01	2.60	-53.16
CC1=CC2=CC=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C2N=C1	REAL300017086851	0	46	-1.0	-53.76	376.20	5.54	-48.22
COC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300017086852	0	44	-1.0	-52.32	374.36	4.61	-47.71
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086853	0	42	-1.0	-44.27	360.42	4.21	-40.06
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017086854	0	42	-1.0	-45.85	355.39	4.36	-41.49
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300017086855	0	43	-1.0	-53.92	383.90	-1.19	-55.11
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017086856	0	43	-1.0	-43.09	382.11	5.24	-37.85
CC(C)COC[C@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-]	REAL300017086857	0	41	-1.0	-40.98	326.17	0.30	-40.68
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017086858	0	41	-1.0	-43.55	359.26	4.62	-38.93
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C(Cl)=C1	REAL300017086859	0	41	-1.0	-47.32	365.53	5.13	-42.19
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300017086860	0	44	-1.0	-50.15	387.05	0.28	-49.87
CC(C)COC[C@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300017086861	0	38	-1.0	-52.81	362.71	3.97	-48.84
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017086862	0	44	-1.0	-56.29	390.35	1.38	-54.91
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300017086863	0	45	-1.0	-46.98	397.16	3.16	-43.82
CC(C)COC[C@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017086864	0	46	-1.0	-49.77	399.77	5.24	-44.53
CC(C)COC[C@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-]	REAL300017086865	0	43	-1.0	-56.49	348.21	2.96	-53.53
CC1=CC(F)=CC=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086866	0	41	-1.0	-42.67	350.55	4.80	-37.87
CC(C)COC[C@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300017086867	0	47	-1.0	-46.79	388.39	5.21	-41.58
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C2=CC=CN=C12	REAL300017086868	0	46	-1.0	-49.16	382.69	5.00	-44.16
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1C	REAL300017086869	0	46	-1.0	-52.68	381.43	6.57	-46.11
CCOC(=O)C1CCCN(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C1	REAL300017086870	0	52	-1.0	-49.22	425.72	4.67	-44.55
CC(C)COC[C@H](NS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	REAL300017086871	0	46	-1.0	-45.02	370.40	3.71	-41.31
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300017086872	0	38	-1.0	-44.54	351.66	4.49	-40.05
CC(C)COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017086873	0	40	-1.0	-48.24	365.71	5.89	-42.35
CC(C)COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C#N)C(=O)[O-]	REAL300017086874	0	39	-1.0	-48.66	366.92	4.65	-44.01
CC(C)COC[C@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300017086875	0	50	-1.0	-57.20	417.25	3.24	-53.96
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017086876	0	44	-1.0	-59.95	392.27	1.41	-58.54
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300017086877	0	48	-1.0	-48.92	394.89	7.67	-41.25
CC(C)COC[C@H](NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300017086878	0	49	-1.0	-46.16	387.56	4.40	-41.76
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086879	0	47	-1.0	-49.31	408.21	5.47	-43.84
CC(C)COC[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300017086881	0	43	-1.0	-52.22	379.11	-0.12	-52.34
COC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C(C)=C1C	REAL300017086882	0	48	-1.0	-46.00	385.54	4.55	-41.45
CC(C)COC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017086883	0	38	-1.0	-43.62	354.93	4.66	-38.96
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300017086884	0	49	-1.0	-45.13	412.95	3.37	-41.76
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300017086885	0	41	-1.0	-43.17	374.15	5.18	-37.99
CC(C)COC[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300017086886	0	43	-1.0	-51.76	372.53	4.29	-47.47
COC1=CC(F)=CC(F)=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086887	0	42	-1.0	-46.33	366.51	4.34	-41.99
CC1=CC(C#N)=CC=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086888	0	42	-1.0	-42.13	363.41	5.07	-37.06
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300017086889	0	39	-1.0	-45.97	345.25	3.95	-42.02
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300017086890	0	42	-1.0	-45.06	388.20	5.18	-39.88
COC(=O)C1=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=CC=C1OC	REAL300017086891	0	48	-1.0	-49.84	411.74	4.56	-45.28
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1C	REAL300017086892	0	47	-1.0	-46.53	400.45	5.05	-41.48
COC(=O)CCN(C)S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086893	0	45	-1.0	-48.94	385.66	2.78	-46.16
CC(C)COC[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300017086894	0	48	-1.0	-56.96	404.35	-0.40	-57.36
CC(C)COC[C@H](NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300017086895	0	47	-1.0	-43.33	371.98	1.79	-41.54
CC(C)COC[C@H](NS(=O)(=O)N1CC2CCC1C2)C(=O)[O-]	REAL300017086896	0	44	-1.0	-46.56	357.34	3.38	-43.18
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300017086897	0	47	-1.0	-54.68	400.25	3.96	-50.72
CC1=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300017086898	0	47	-1.0	-54.57	403.55	5.20	-49.37
CCN1N=C(C)C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1C	REAL300017086899	0	47	-1.0	-50.40	389.78	3.80	-46.60
CC(C)COC[C@H](NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300017086900	0	44	-1.0	-50.47	376.32	2.99	-47.48
CC(C)COC[C@H](NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300017086901	0	47	-1.0	-52.48	395.87	5.16	-47.32
CC(C)COC[C@H](NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300017086902	0	44	-1.0	-54.29	377.00	4.28	-50.01
CC(C)COC[C@H](NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300017086903	0	44	-1.0	-58.18	369.83	2.83	-55.35
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300017086904	0	50	-1.0	-49.00	379.55	6.13	-42.87
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300017086905	0	46	-1.0	-52.98	396.12	3.26	-49.72
CC1=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C(N)=NO1	REAL300017086906	0	39	-1.0	-46.52	338.00	1.30	-45.22
CC(C)COC[C@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300017086907	0	51	-1.0	-45.35	430.91	5.41	-39.94
CC(C)COC[C@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300017086908	0	42	-1.0	-57.89	370.48	3.92	-53.97
CC(C)COC[C@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300017086909	0	40	-1.0	-50.19	347.15	3.70	-46.49
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=N1	REAL300017086910	0	40	-1.0	-49.11	348.17	2.72	-46.39
CC(C)COC[C@H](NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017086911	1	38	-1.0	-47.75	353.49	4.74	-43.01
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C(Cl)=N1	REAL300017086912	0	40	-1.0	-48.40	356.32	3.05	-45.35
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300017086913	0	42	-1.0	-47.83	378.68	4.87	-42.96
CC(C)COC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300017086914	0	37	-1.0	-41.98	349.05	2.59	-39.39
COC1=NC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1Cl	REAL300017086915	0	41	-1.0	-44.07	372.90	1.10	-42.97
CC1=CC(C)=CC(CS(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086916	0	47	-1.0	-46.82	393.72	5.84	-40.98
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086917	0	49	-1.0	-50.04	399.04	3.61	-46.43
CNC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086918	0	48	-1.0	-49.71	409.33	2.84	-46.87
CC1=CC(F)=CC=C1CS(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086919	0	44	-1.0	-43.68	376.07	5.22	-38.46
CC(C)COC[C@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017086920	0	38	-1.0	-42.08	358.06	5.17	-36.91
CC(C)COC[C@H](NS(=O)(=O)C1CCOC(C)C1)C(=O)[O-]	REAL300017086921	0	45	-1.0	-59.94	368.46	2.54	-57.40
CC(C)COC[C@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300017086922	0	54	-1.0	-43.64	430.69	5.24	-38.40
CCOCC(C)CS(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086923	0	47	-1.0	-43.48	386.00	3.15	-40.33
CC(C)COC[C@H](NS(=O)(=O)N(C)C(C)CC#N)C(=O)[O-]	REAL300017086924	0	43	-1.0	-49.02	360.70	2.91	-46.11
COCCN(CCC#N)S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086925	0	47	-1.0	-41.34	394.61	2.34	-39.00
CC(C)COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300017086927	0	43	-1.0	-52.77	372.75	4.26	-48.51
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300017086928	0	41	-1.0	-45.88	375.09	5.18	-40.70
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017086929	0	41	-1.0	-48.93	362.51	4.61	-44.32
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086930	0	54	-1.0	-47.20	417.85	6.30	-40.90
CCN(CC(C)C#N)S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086931	0	46	-1.0	-45.82	377.27	3.43	-42.39
CC(C)COC[C@H](NS(=O)(=O)N(C)CC(C)C#N)C(=O)[O-]	REAL300017086932	0	43	-1.0	-45.53	366.62	3.16	-42.37
CC(C)COC[C@H](NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300017086933	0	41	-1.0	-45.13	362.81	4.40	-40.73
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086934	0	46	-1.0	-67.36	408.01	5.73	-61.63
CC1=CC=C(CS(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1C	REAL300017086935	0	47	-1.0	-46.91	389.32	5.72	-41.19
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300017086936	0	41	-1.0	-43.12	371.16	2.99	-40.13
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086937	0	48	-1.0	-52.18	403.99	2.75	-49.43
CC(C)COC[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300017086938	0	49	-1.0	-47.69	411.36	5.19	-42.50
CC(C)COC[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	REAL300017086939	0	42	-1.0	-50.54	360.88	4.04	-46.50
CC(C)COC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300017086940	0	46	-1.0	-49.90	402.71	2.46	-47.44
CC(C)COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300017086941	0	44	-1.0	-50.53	392.17	5.44	-45.09
CC(C)COC[C@H](NS(=O)(=O)C1=CN=NN1C)C(=O)[O-]	REAL300017086942	0	37	-1.0	-53.70	326.89	0.27	-53.43
CC1=CC=C(CS(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C(F)=C1	REAL300017086943	0	44	-1.0	-49.01	377.63	5.22	-43.79
CC(C)COC[C@H](NS(=O)(=O)C(C)C(=O)N(C)C)C(=O)[O-]	REAL300017086944	0	44	-1.0	-68.89	367.34	1.82	-67.07
CC(C)COC[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017086945	0	51	-1.0	-46.62	418.97	7.15	-39.47
CC(C)COC[C@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300017086946	0	49	-1.0	-47.92	412.01	4.59	-43.33
CC(C)COC[C@H](NS(=O)(=O)CCC1CCC1)C(=O)[O-]	REAL300017086947	0	44	-1.0	-44.97	363.71	4.41	-40.56
CC(C)COC[C@H](NS(=O)(=O)CCCC(C)(C)C)C(=O)[O-]	REAL300017086948	0	49	-1.0	-44.36	392.21	4.80	-39.56
CC(C)COC[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300017086949	0	47	-1.0	-51.03	390.24	1.02	-50.01
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086950	0	47	-1.0	-57.82	409.07	6.66	-51.16
CC1=C(CCS(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])SC=N1	REAL300017086951	0	43	-1.0	-45.94	375.92	3.02	-42.92
COCC1(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])CC1	REAL300017086952	0	42	-1.0	-44.26	348.64	2.99	-41.27
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300017086953	0	44	-1.0	-49.18	367.59	6.08	-43.10
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017086954	0	43	-1.0	-56.08	374.58	5.76	-50.32
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017086955	0	48	-1.0	-48.21	403.83	7.27	-40.94
CC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086956	0	41	-1.0	-43.00	347.19	4.70	-38.30
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086957	0	53	-1.0	-47.75	422.01	6.68	-41.07
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1Cl	REAL300017086958	0	41	-1.0	-45.42	367.03	5.00	-40.42
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300017086959	0	48	-1.0	-46.45	398.92	4.71	-41.74
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017086960	0	38	-1.0	-45.52	344.70	4.15	-41.37
CC(C)COC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300017086961	0	38	-1.0	-40.46	348.63	4.04	-36.42
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C(F)=C1	REAL300017086962	0	41	-1.0	-50.78	345.91	4.22	-46.56
CC1=CC=CC=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086963	0	41	-1.0	-45.44	342.69	4.70	-40.74
CC1=NC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=CN1C	REAL300017086964	0	41	-1.0	-55.10	354.85	2.80	-52.30
CC(C)COC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300017086965	0	41	-1.0	-44.18	362.16	4.53	-39.65
CC(C)COC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017086966	0	38	-1.0	-41.95	337.20	3.67	-38.28
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300017086967	0	39	-1.0	-53.54	335.49	2.55	-50.99
CC1=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=CC=C1F	REAL300017086968	0	41	-1.0	-43.81	356.38	4.56	-39.25
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017086969	0	41	-1.0	-42.15	375.89	4.95	-37.20
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017086970	0	43	-1.0	-53.18	354.61	4.90	-48.28
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300017086971	0	41	-1.0	-43.31	358.09	5.39	-37.92
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300017086972	0	38	-1.0	-49.51	340.78	4.07	-45.44
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300017086973	0	38	-1.0	-43.85	354.99	4.67	-39.18
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086974	0	44	-1.0	-42.92	371.91	4.35	-38.57
CC1=CC=C(F)C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086975	0	41	-1.0	-49.65	344.82	4.19	-45.46
COC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1F	REAL300017086976	0	42	-1.0	-47.26	365.38	3.23	-44.03
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1F	REAL300017086977	0	41	-1.0	-45.23	356.37	4.57	-40.66
CC(C)COC[C@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017086978	1	38	-1.0	-44.11	346.06	4.22	-39.89
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300017086979	0	38	-1.0	-44.05	358.58	4.56	-39.49
CC(C)COC[C@H](NS(=O)(=O)C1=CN(C)C=N1)C(=O)[O-]	REAL300017086980	0	38	-1.0	-53.59	335.33	3.00	-50.59
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CN=C1)C(=O)[O-]	REAL300017086981	0	37	-1.0	-47.80	326.55	2.12	-45.68
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1Cl	REAL300017086982	0	45	-1.0	-48.05	399.82	3.38	-44.67
CC(C)COC[C@H](NS(=O)(=O)N1CCCCC1C)C(=O)[O-]	REAL300017086983	0	46	-1.0	-45.35	357.52	3.73	-41.62
CCCN(CCC)S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086984	0	48	-1.0	-45.30	386.97	4.09	-41.21
CC(C)COC[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)[O-]	REAL300017086985	0	40	-1.0	-45.66	351.13	2.52	-43.14
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300017086986	0	42	-1.0	-47.32	374.76	4.96	-42.36
CC(C)COC[C@H](NS(=O)(=O)CCC1=CC=CC=C1)C(=O)[O-]	REAL300017086987	0	44	-1.0	-45.20	372.39	5.29	-39.91
CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1Cl	REAL300017086988	0	41	-1.0	-46.26	368.49	5.65	-40.61
CC(C)COC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017086989	0	41	-1.0	-43.06	385.81	5.54	-37.52
COC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C2=CC=CC=C12	REAL300017086990	0	48	-1.0	-51.87	401.49	5.55	-46.32
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1C(N)=O	REAL300017086991	0	45	-1.0	-46.10	380.25	1.31	-44.79
COC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1C(N)=O	REAL300017086992	0	46	-1.0	-49.52	391.47	1.24	-48.28
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086993	0	43	-1.0	-41.25	369.61	5.32	-35.93
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C(F)=C1	REAL300017086994	0	45	-1.0	-64.11	380.54	2.45	-61.66
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086995	0	43	-1.0	-46.19	366.28	5.22	-40.97
CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])CC1	REAL300017086996	0	52	-1.0	-44.87	426.38	4.67	-40.20
CC(C)COC[C@H](NS(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300017086997	0	38	-1.0	-52.04	348.43	3.43	-48.61
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1	REAL300017086998	0	51	-1.0	-53.21	435.25	3.69	-49.52
CCCCN(C)S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086999	0	45	-1.0	-44.35	373.29	3.56	-40.79
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017087000	0	46	-1.0	-43.75	388.48	6.26	-37.49
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300017101064	0	38	-1.0	-44.29	334.73	3.65	-40.64
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300017101065	0	36	-1.0	-47.58	328.72	3.46	-44.12
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC(F)=C1F	REAL300017101066	0	38	-1.0	-43.46	352.08	3.04	-40.42
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300017101067	0	44	-1.0	-48.24	370.91	3.75	-44.49
CO[C@H](C)[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300017101068	0	50	-1.0	-44.86	373.80	3.96	-40.90
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300017101069	0	40	-1.0	-52.38	329.23	3.75	-48.63
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101070	0	40	-1.0	-52.96	347.08	4.08	-48.88
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300017101071	0	43	-1.0	-48.31	363.87	0.83	-47.48
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101072	0	46	-1.0	-44.59	390.89	3.31	-41.28
CCCN1C=NC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101073	0	38	-1.0	-52.50	334.04	3.04	-49.46
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017101074	0	33	-1.0	-40.06	320.20	2.84	-37.22
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C#N)SC=C1)C(=O)[O-]	REAL300017101075	0	30	-1.0	-46.36	278.91	0.99	-45.37
CO[C@H](C)[C@H](NS(=O)(=O)CC1CCC(F)CC1)C(=O)[O-]	REAL300017101076	0	41	-1.0	-41.19	331.37	3.39	-37.80
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017101077	0	35	-1.0	-43.59	322.18	3.38	-40.21
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300017101078	0	38	-1.0	-53.60	334.56	3.28	-50.32
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300017101079	0	41	-1.0	-48.63	372.96	3.75	-44.88
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1F	REAL300017101080	0	38	-1.0	-50.88	349.38	3.07	-47.81
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101081	0	41	-1.0	-48.07	354.60	3.21	-44.86
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017101082	0	38	-1.0	-43.97	343.02	4.04	-39.93
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017101083	0	35	-1.0	-43.87	325.93	3.42	-40.45
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300017101084	0	32	-1.0	-40.46	322.84	3.37	-37.09
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017101085	0	39	-1.0	-53.06	342.64	-0.29	-53.35
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101086	0	47	-1.0	-48.50	396.59	4.62	-43.88
CCC1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300017101087	0	43	-1.0	-43.87	343.97	2.75	-41.12
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017101088	0	38	-1.0	-43.94	336.95	3.81	-40.13
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300017101089	0	38	-1.0	-47.52	335.07	3.77	-43.75
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017101090	0	38	-1.0	-45.99	342.18	4.10	-41.89
COC1=CC2=C(C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(=O)NCCC2	REAL300017101091	0	47	-1.0	-48.85	372.85	1.44	-47.41
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300017101092	0	43	-1.0	-47.93	376.26	2.72	-45.21
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300017101093	0	39	-1.0	-46.34	361.30	4.89	-41.45
CO[C@H](C)[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-]	REAL300017101094	0	41	-1.0	-42.67	337.35	0.49	-42.18
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017101095	0	35	-1.0	-43.57	329.16	3.54	-40.03
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101096	0	45	-1.0	-47.12	374.83	3.90	-43.22
CO[C@H](C)[C@H](NS(=O)(=O)CC(C)CC(F)(F)F)C(=O)[O-]	REAL300017101097	0	37	-1.0	-40.93	320.63	2.47	-38.46
CO[C@H](C)[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C(=O)[O-]	REAL300017101098	0	39	-1.0	-51.58	348.81	4.43	-47.15
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300017101099	0	44	-1.0	-48.24	376.75	2.21	-46.03
COC1=CC(F)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101100	0	36	-1.0	-42.70	303.22	2.44	-40.26
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)O1	REAL300017101101	0	38	-1.0	-47.44	342.23	1.65	-45.79
CCC1=NC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CN1CC1CC1	REAL300017101102	0	45	-1.0	-55.86	385.17	4.25	-51.61
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300017101103	0	43	-1.0	-53.48	371.70	2.85	-50.63
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300017101104	0	35	-1.0	-46.17	326.46	1.79	-44.38
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300017101105	0	35	-1.0	-54.88	332.80	1.98	-52.90
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C(C)C	REAL300017101106	0	51	-1.0	-46.13	416.28	5.29	-40.84
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017101107	0	40	-1.0	-46.09	343.17	4.41	-41.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300017101108	0	39	-1.0	-45.38	329.07	2.04	-43.34
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300017101109	0	45	-1.0	-46.72	389.15	4.56	-42.16
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300017101110	0	46	-1.0	-48.97	404.20	5.63	-43.34
COC(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C1=CC=C(F)C=C1	REAL300017101111	0	42	-1.0	-43.81	364.11	3.30	-40.51
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300017101112	0	44	-1.0	-47.76	369.04	3.68	-44.08
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1Cl	REAL300017101113	0	40	-1.0	-47.36	366.70	1.14	-46.22
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=CC=C12	REAL300017101114	0	44	-1.0	-48.04	377.18	5.12	-42.92
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300017101115	0	43	-1.0	-48.60	371.42	1.37	-47.23
CO[C@H](C)[C@H](NS(=O)(=O)CC1(C(F)F)CCCC1)C(=O)[O-]	REAL300017101116	0	41	-1.0	-41.08	331.61	3.39	-37.69
CCOC1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CCOCC1	REAL300017101117	0	46	-1.0	-44.01	362.96	1.01	-43.00
CCOC(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C1CC1	REAL300017101118	0	42	-1.0	-45.50	349.33	2.55	-42.95
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1F	REAL300017101119	0	38	-1.0	-50.17	337.93	2.60	-47.57
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300017101120	0	43	-1.0	-61.44	376.25	3.78	-57.66
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300017101121	0	35	-1.0	-44.23	328.32	0.90	-43.33
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017101122	0	43	-1.0	-48.46	385.48	6.37	-42.09
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300017101123	0	35	-1.0	-40.47	325.69	3.63	-36.84
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300017101124	0	35	-1.0	-45.61	320.43	3.58	-42.03
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101125	0	38	-1.0	-48.61	340.32	3.91	-44.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300017101126	0	40	-1.0	-45.16	342.86	-0.01	-45.17
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101127	0	36	-1.0	-44.27	335.60	2.16	-42.11
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1[N+](=O)[O-]	REAL300017101128	0	38	-1.0	-44.62	342.25	3.02	-41.60
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300017101129	0	38	-1.0	-41.16	334.82	4.03	-37.13
COCCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=N1	REAL300017101130	0	39	-1.0	-46.79	344.55	-0.14	-46.93
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(CC2CC2)N=C1C)C(=O)[O-]	REAL300017101131	0	45	-1.0	-49.29	376.61	3.74	-45.55
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300017101132	0	39	-1.0	-48.67	350.82	2.83	-45.84
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017101133	0	40	-1.0	-44.10	355.78	4.36	-39.74
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300017101134	0	32	-1.0	-41.27	311.81	2.91	-38.36
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300017101135	0	35	-1.0	-44.27	319.73	3.04	-41.23
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300017101136	0	39	-1.0	-62.68	349.40	0.11	-62.57
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C21	REAL300017101137	0	41	-1.0	-46.07	360.73	3.21	-42.86
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017101138	0	35	-1.0	-43.13	316.84	3.50	-39.63
COCC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101139	0	39	-1.0	-45.67	328.46	2.29	-43.38
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1Br	REAL300017101140	0	36	-1.0	-44.60	336.65	2.25	-42.35
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017101141	0	35	-1.0	-43.22	350.38	-0.69	-43.91
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300017101142	0	35	-1.0	-48.59	330.67	1.36	-47.23
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300017101143	0	43	-1.0	-47.33	362.24	3.50	-43.83
CCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101144	0	38	-1.0	-46.31	329.61	3.71	-42.60
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017101145	0	40	-1.0	-49.90	365.68	-0.95	-50.85
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1F	REAL300017101146	0	43	-1.0	-47.80	385.23	-0.09	-47.89
CCC(=O)NCC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1OC	REAL300017101147	0	49	-1.0	-52.55	417.63	1.44	-51.11
CCC1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101148	0	41	-1.0	-45.81	351.93	4.40	-41.41
COC1=CC=C(Br)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101149	0	36	-1.0	-46.17	333.31	2.30	-43.87
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300017101150	0	47	-1.0	-48.47	400.47	2.72	-45.75
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101151	0	41	-1.0	-55.69	368.88	0.70	-54.99
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300017101152	0	34	-1.0	-43.88	334.98	2.20	-41.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300017101153	0	37	-1.0	-43.83	343.50	3.30	-40.53
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300017101154	0	37	-1.0	-50.58	343.18	3.33	-47.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300017101155	0	33	-1.0	-40.83	328.59	3.29	-37.54
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1Br	REAL300017101156	0	39	-1.0	-46.33	358.48	3.18	-43.15
CO[C@H](C)[C@H](NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017101157	0	46	-1.0	-44.94	402.53	1.67	-43.27
CO[C@H](C)[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017101158	0	35	-1.0	-50.97	318.63	3.01	-47.96
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101159	0	45	-1.0	-47.16	395.98	3.91	-43.25
CO[C@H](C)[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300017101160	0	41	-1.0	-45.33	332.88	0.50	-44.83
COC1=C(C)C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300017101161	0	42	-1.0	-46.85	358.38	3.12	-43.73
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300017101162	0	48	-1.0	-45.11	398.38	4.62	-40.49
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300017101163	0	46	-1.0	-44.98	378.86	4.43	-40.55
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300017101164	0	45	-1.0	-45.30	379.41	4.01	-41.29
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101165	0	42	-1.0	-45.85	359.55	3.30	-42.55
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1Cl	REAL300017101166	0	36	-1.0	-45.25	330.33	2.10	-43.15
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017101167	0	36	-1.0	-45.71	340.08	2.37	-43.34
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300017101168	0	39	-1.0	-45.73	334.38	2.28	-43.45
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300017101169	0	45	-1.0	-46.79	376.08	3.87	-42.92
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C)=C1	REAL300017101170	0	39	-1.0	-45.28	327.37	2.38	-42.90
COCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101171	0	43	-1.0	-47.50	371.68	1.77	-45.73
COCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300017101172	0	46	-1.0	-50.40	391.77	2.51	-47.89
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300017101173	0	35	-1.0	-48.35	313.31	2.97	-45.38
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101174	0	43	-1.0	-52.31	377.46	1.94	-50.37
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300017101175	0	47	-1.0	-50.85	392.82	1.79	-49.06
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017101176	0	42	-1.0	-53.80	356.60	2.09	-51.71
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300017101177	0	35	-1.0	-44.09	319.03	3.54	-40.55
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300017101178	0	38	-1.0	-54.85	361.19	0.36	-54.49
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101179	0	38	-1.0	-46.21	341.71	4.16	-42.05
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300017101180	0	33	-1.0	-40.81	321.02	3.04	-37.77
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300017101181	0	35	-1.0	-41.82	320.93	3.75	-38.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300017101182	0	40	-1.0	-51.46	332.67	5.02	-46.44
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101183	0	38	-1.0	-45.59	354.17	3.51	-42.08
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300017101184	0	41	-1.0	-46.54	356.78	0.55	-45.99
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300017101185	0	36	-1.0	-41.69	326.89	4.05	-37.64
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300017101186	0	33	-1.0	-42.73	322.96	3.08	-39.65
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101187	0	48	-1.0	-50.40	397.68	4.02	-46.38
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300017101188	0	44	-1.0	-50.84	395.66	0.13	-50.71
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101189	0	40	-1.0	-51.34	363.32	-1.55	-52.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CCNC(C)=O)S1)C(=O)[O-]	REAL300017101190	0	42	-1.0	-51.42	382.80	1.21	-50.21
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)O1	REAL300017101191	0	35	-1.0	-48.14	326.26	1.08	-47.06
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300017101192	0	34	-1.0	-45.57	310.98	0.88	-44.69
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101193	1	34	-1.0	-52.08	312.17	3.98	-48.10
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300017101194	0	35	-1.0	-41.47	342.51	3.97	-37.50
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C(C)N1	REAL300017101195	0	45	-1.0	-49.94	378.97	2.86	-47.08
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017101196	0	32	-1.0	-46.89	301.97	3.08	-43.81
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300017101197	0	38	-1.0	-48.59	366.11	2.83	-45.76
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300017101198	0	52	-1.0	-46.04	421.28	5.90	-40.14
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017101199	0	42	-1.0	-49.26	383.97	1.86	-47.40
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101200	0	41	-1.0	-45.89	350.80	3.67	-42.22
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101201	0	34	-1.0	-47.62	321.00	4.29	-43.33
COC1=CC(F)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1OC	REAL300017101202	0	40	-1.0	-47.62	337.25	1.13	-46.49
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1OC	REAL300017101203	0	43	-1.0	-46.97	358.08	2.33	-44.64
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101204	1	34	-1.0	-43.06	333.26	4.91	-38.15
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300017101205	0	40	-1.0	-51.97	331.23	3.94	-48.03
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300017101206	0	35	-1.0	-55.25	325.53	3.18	-52.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300017101207	0	37	-1.0	-47.86	327.05	-1.60	-49.46
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300017101208	0	35	-1.0	-41.78	316.33	3.66	-38.12
CCOC(=O)C1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101209	0	43	-1.0	-54.53	364.27	2.46	-52.07
CNC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CN1C	REAL300017101210	0	40	-1.0	-49.41	350.90	-0.07	-49.48
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C)=C1	REAL300017101211	0	42	-1.0	-45.28	340.40	3.07	-42.21
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300017101212	0	40	-1.0	-45.47	354.50	1.90	-43.57
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101213	0	41	-1.0	-45.31	363.85	3.63	-41.68
COC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300017101214	0	43	-1.0	-46.59	344.96	1.68	-44.91
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300017101215	0	43	-1.0	-46.04	360.30	2.38	-43.66
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101216	0	41	-1.0	-49.68	362.82	3.60	-46.08
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)O1	REAL300017101217	0	38	-1.0	-48.33	348.12	2.01	-46.32
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101218	0	45	-1.0	-48.88	393.27	3.36	-45.52
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300017101219	0	42	-1.0	-45.57	348.67	3.15	-42.42
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300017101220	0	36	-1.0	-53.47	325.01	2.65	-50.82
CCOC(=O)CCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101221	0	40	-1.0	-44.38	347.96	2.45	-41.93
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017101222	0	35	-1.0	-46.27	323.10	4.35	-41.92
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101223	0	34	-1.0	-47.55	325.55	4.39	-43.16
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101224	0	37	-1.0	-52.19	318.53	4.61	-47.58
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300017101225	0	34	-1.0	-41.83	332.05	3.67	-38.16
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017101226	0	29	-1.0	-57.15	286.76	1.47	-55.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300017101227	0	36	-1.0	-44.80	321.59	2.58	-42.22
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300017101228	0	40	-1.0	-48.88	330.21	3.41	-45.47
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300017101229	0	34	-1.0	-41.96	319.72	1.59	-40.37
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300017101230	0	40	-1.0	-48.87	338.39	1.11	-47.76
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017101231	0	31	-1.0	-50.57	313.03	1.43	-49.14
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300017101232	0	34	-1.0	-44.50	307.87	2.61	-41.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017101233	0	34	-1.0	-40.92	331.13	3.41	-37.51
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101234	0	41	-1.0	-53.23	359.01	1.09	-52.14
CCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C([N+](=O)[O-])=N1	REAL300017101235	0	37	-1.0	-56.65	337.24	3.16	-53.49
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101236	0	34	-1.0	-55.10	318.04	3.95	-51.15
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017101237	0	34	-1.0	-41.52	321.10	3.03	-38.49
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300017101238	0	39	-1.0	-44.93	357.63	2.97	-41.96
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101239	0	34	-1.0	-46.05	321.49	4.31	-41.74
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017101240	0	46	-1.0	-47.36	397.96	5.56	-41.80
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017101241	0	40	-1.0	-49.23	355.76	-1.47	-50.70
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101242	0	40	-1.0	-51.49	349.80	3.55	-47.94
CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300017101243	0	45	-1.0	-41.52	359.71	0.69	-40.83
COC1=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C2=CC=C(Cl)N=C2C=C1	REAL300017101244	0	41	-1.0	-48.78	365.51	3.53	-45.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017101245	0	42	-1.0	-49.19	372.45	3.85	-45.34
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300017101246	0	35	-1.0	-62.12	314.41	1.48	-60.64
CO[C@H](C)[C@H](NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300017101247	0	54	-1.0	-43.27	418.48	5.06	-38.21
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300017101248	0	38	-1.0	-46.46	330.45	3.63	-42.83
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017101249	0	40	-1.0	-51.75	360.03	-1.00	-52.75
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017101250	0	35	-1.0	-45.08	315.45	3.03	-42.05
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1C)C(=O)[O-]	REAL300017101251	0	38	-1.0	-46.21	323.38	3.60	-42.61
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017101252	0	38	-1.0	-45.66	349.91	-0.22	-45.88
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C2=CC=CC=C12	REAL300017101253	0	45	-1.0	-48.54	372.87	4.74	-43.80
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101254	0	42	-1.0	-46.21	337.56	3.82	-42.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300017101255	0	37	-1.0	-55.36	335.04	2.47	-52.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017101256	0	39	-1.0	-50.19	345.37	3.37	-46.82
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017101257	0	34	-1.0	-45.28	331.12	3.41	-41.87
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300017101258	0	33	-1.0	-48.34	305.69	2.39	-45.95
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101259	0	46	-1.0	-47.06	393.29	2.75	-44.31
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101260	0	48	-1.0	-45.67	402.55	4.86	-40.81
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101261	0	34	-1.0	-50.60	318.87	4.49	-46.11
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1F	REAL300017101262	0	38	-1.0	-45.17	344.14	2.92	-42.25
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101263	0	42	-1.0	-46.25	351.45	3.03	-43.22
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S1	REAL300017101264	0	38	-1.0	-48.34	356.07	2.89	-45.45
COC(=O)C1=CSC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101265	0	35	-1.0	-45.00	332.93	1.95	-43.05
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101266	0	44	-1.0	-47.08	372.37	4.16	-42.92
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1Cl	REAL300017101267	0	38	-1.0	-45.53	354.04	3.32	-42.21
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1C	REAL300017101268	0	41	-1.0	-45.05	355.64	3.42	-41.63
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101269	0	38	-1.0	-47.21	334.39	2.58	-44.63
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300017101270	0	42	-1.0	-45.89	337.00	4.80	-41.09
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017101271	0	38	-1.0	-48.96	332.63	4.04	-44.92
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300017101272	0	31	-1.0	-42.68	303.05	1.08	-41.60
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300017101273	0	36	-1.0	-42.23	341.19	3.70	-38.53
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300017101274	0	37	-1.0	-45.66	320.78	1.54	-44.12
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300017101275	0	37	-1.0	-43.42	335.48	-2.28	-45.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300017101276	0	46	-1.0	-48.92	399.72	4.23	-44.69
COC(=O)CC1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300017101277	0	41	-1.0	-49.88	348.16	2.69	-47.19
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101278	0	37	-1.0	-49.20	342.50	2.38	-46.82
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300017101279	0	35	-1.0	-45.29	307.22	2.68	-42.61
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101280	0	39	-1.0	-43.45	336.27	3.56	-39.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300017101281	0	44	-1.0	-47.67	375.54	3.78	-43.89
CCCCCCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(=O)NC1=O	REAL300017101282	0	50	-1.0	-53.69	411.47	2.73	-50.96
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300017101283	0	42	-1.0	-46.32	368.40	4.10	-42.22
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S1	REAL300017101284	0	39	-1.0	-42.81	351.90	1.00	-41.81
CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101285	0	39	-1.0	-49.69	349.14	-3.01	-52.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300017101286	0	35	-1.0	-44.16	305.33	2.63	-41.53
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300017101287	0	37	-1.0	-56.87	343.09	4.00	-52.87
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017101288	0	29	-1.0	-45.76	291.09	1.01	-44.75
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017101289	0	38	-1.0	-50.22	337.12	3.86	-46.36
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017101290	0	29	-1.0	-51.78	312.03	2.42	-49.36
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1)C(=O)[O-]	REAL300017101291	0	35	-1.0	-44.20	330.14	3.77	-40.43
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300017101292	0	35	-1.0	-44.94	342.11	4.24	-40.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017101293	0	38	-1.0	-44.92	352.10	5.12	-39.80
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017101294	0	35	-1.0	-47.47	340.77	4.13	-43.34
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300017101295	0	38	-1.0	-49.58	332.95	5.10	-44.48
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017101296	0	38	-1.0	-47.66	339.36	4.95	-42.71
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CN1C	REAL300017101297	0	42	-1.0	-53.01	369.75	3.32	-49.69
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C2O1	REAL300017101298	0	46	-1.0	-50.47	398.30	4.48	-45.99
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017101299	0	38	-1.0	-54.13	351.82	-0.18	-54.31
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300017101300	0	41	-1.0	-48.14	373.43	2.15	-45.99
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300017101301	0	45	-1.0	-50.88	393.26	3.81	-47.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1)C(=O)[O-]	REAL300017101302	0	38	-1.0	-49.40	344.21	4.49	-44.91
CO[C@H](C)[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300017101303	0	43	-1.0	-48.36	385.28	-0.70	-49.06
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017101304	1	33	-1.0	-42.73	315.56	2.93	-39.80
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300017101305	0	43	-1.0	-45.42	359.41	2.89	-42.53
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Cl)N1C)C(=O)[O-]	REAL300017101306	0	32	-1.0	-44.30	301.69	1.23	-43.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300017101307	0	37	-1.0	-40.71	339.37	4.02	-36.69
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300017101308	0	36	-1.0	-45.10	340.01	3.71	-41.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)C(Cl)=N1)C(=O)[O-]	REAL300017101309	0	32	-1.0	-52.08	306.90	1.11	-50.97
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300017101310	0	35	-1.0	-52.60	324.39	2.77	-49.83
CO[C@H](C)[C@H](NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017101311	0	44	-1.0	-50.90	386.37	4.73	-46.17
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(N(C)C)=CC=C1Br)C(=O)[O-]	REAL300017101312	0	40	-1.0	-46.39	353.35	3.40	-42.99
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300017101313	0	37	-1.0	-46.51	340.58	1.91	-44.60
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101314	0	38	-1.0	-47.36	346.92	4.27	-43.09
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101315	0	44	-1.0	-49.43	362.95	2.75	-46.68
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C12	REAL300017101316	0	39	-1.0	-48.36	347.95	-0.01	-48.37
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017101317	0	37	-1.0	-45.46	339.76	3.60	-41.86
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101318	0	38	-1.0	-47.18	336.59	3.84	-43.34
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300017101319	0	35	-1.0	-60.67	320.79	2.06	-58.61
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300017101320	0	40	-1.0	-50.47	350.50	0.29	-50.18
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017101321	0	31	-1.0	-39.44	307.20	1.33	-38.11
COC(=O)C1CCCCC1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101322	0	44	-1.0	-42.78	347.93	3.53	-39.25
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C2)CC1	REAL300017101323	0	45	-1.0	-49.07	385.06	4.91	-44.16
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300017101324	0	39	-1.0	-59.04	326.96	2.81	-56.23
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300017101325	0	36	-1.0	-48.26	344.14	3.70	-44.56
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300017101326	0	38	-1.0	-43.62	355.31	0.37	-43.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300017101327	0	41	-1.0	-46.85	351.67	6.01	-40.84
CCC1=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C(C(=O)OC)O1	REAL300017101328	0	41	-1.0	-44.98	364.62	2.60	-42.38
CO[C@H](C)[C@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300017101329	0	49	-1.0	-62.21	392.40	3.84	-58.37
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C)=C1F	REAL300017101330	0	39	-1.0	-45.85	330.09	2.35	-43.50
CO[C@H](C)[C@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017101331	0	52	-1.0	-46.11	402.92	3.83	-42.28
CO[C@H](C)[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017101332	0	46	-1.0	-41.62	373.02	2.30	-39.32
CO[C@H](C)[C@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300017101333	0	43	-1.0	-41.19	378.71	2.83	-38.36
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101334	0	40	-1.0	-45.75	358.39	4.43	-41.32
CO[C@H](C)[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300017101335	0	42	-1.0	-45.07	340.30	3.15	-41.92
CO[C@H](C)[C@H](NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300017101336	0	44	-1.0	-44.03	335.12	3.75	-40.28
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300017101337	0	41	-1.0	-48.52	341.77	3.60	-44.92
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300017101338	0	35	-1.0	-48.09	322.73	1.14	-46.95
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1F	REAL300017101339	0	36	-1.0	-45.04	322.45	1.65	-43.39
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101340	0	43	-1.0	-45.43	348.33	3.18	-42.25
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101341	0	46	-1.0	-47.46	403.01	3.55	-43.91
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300017101342	0	41	-1.0	-44.06	333.24	4.17	-39.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300017101343	0	46	-1.0	-43.13	380.77	5.75	-37.38
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C2O1	REAL300017101344	0	47	-1.0	-46.52	410.17	4.97	-41.55
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101345	0	44	-1.0	-45.72	372.66	4.60	-41.12
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017101346	0	32	-1.0	-50.30	318.77	3.23	-47.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300017101347	0	32	-1.0	-43.04	315.70	2.50	-40.54
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(F)=C1	REAL300017101348	0	36	-1.0	-49.25	308.03	1.21	-48.04
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101349	0	40	-1.0	-51.93	343.06	5.28	-46.65
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300017101350	0	38	-1.0	-45.11	347.70	4.06	-41.05
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017101351	0	42	-1.0	-40.50	369.78	5.17	-35.33
CCC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101352	0	38	-1.0	-44.28	315.48	3.94	-40.34
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101353	0	40	-1.0	-47.65	353.89	0.50	-47.15
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300017101354	0	40	-1.0	-47.61	337.31	2.66	-44.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300017101355	0	38	-1.0	-48.22	332.12	2.79	-45.43
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017101357	0	35	-1.0	-47.77	318.97	3.17	-44.60
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017101358	0	35	-1.0	-40.89	342.26	3.82	-37.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017101359	0	35	-1.0	-44.69	318.43	2.94	-41.75
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300017101360	0	35	-1.0	-43.65	329.18	3.57	-40.08
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101361	0	43	-1.0	-42.70	333.83	0.25	-42.45
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300017101362	0	36	-1.0	-46.27	317.28	3.22	-43.05
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017101363	0	43	-1.0	-53.58	360.14	2.61	-50.97
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017101364	0	44	-1.0	-51.28	373.86	2.65	-48.63
COC1=C(F)C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1[N+](=O)[O-]	REAL300017101365	0	38	-1.0	-42.42	348.27	3.07	-39.35
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1[N+](=O)[O-]	REAL300017101366	0	42	-1.0	-45.78	375.53	1.60	-44.18
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(OC)=C1	REAL300017101367	0	42	-1.0	-46.83	353.53	2.73	-44.10
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300017101368	0	35	-1.0	-38.97	321.50	3.51	-35.46
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017101369	0	40	-1.0	-43.98	343.33	4.29	-39.69
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017101370	0	40	-1.0	-55.00	345.95	3.44	-51.56
CO[C@H](C)[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017101371	0	38	-1.0	-65.85	325.28	-1.54	-67.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017101372	0	42	-1.0	-47.58	365.05	3.15	-44.43
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017101373	0	37	-1.0	-45.93	334.74	2.47	-43.46
COC1=CC(F)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(F)=C1	REAL300017101374	0	36	-1.0	-47.11	324.28	1.84	-45.27
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C)=C1	REAL300017101375	0	42	-1.0	-45.26	349.23	3.31	-41.95
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101376	0	40	-1.0	-44.98	361.42	-1.59	-46.57
CO[C@H](C)[C@H](NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-]	REAL300017101377	0	34	-1.0	-57.05	309.78	-2.57	-59.62
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101378	0	41	-1.0	-52.64	354.12	4.38	-48.26
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017101379	0	36	-1.0	-45.65	305.81	2.26	-43.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300017101380	0	36	-1.0	-44.76	325.01	3.26	-41.50
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101381	0	44	-1.0	-44.53	384.60	4.68	-39.85
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101382	0	42	-1.0	-50.56	363.36	1.98	-48.58
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017101383	0	38	-1.0	-44.93	347.77	3.95	-40.98
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101384	0	43	-1.0	-44.77	353.94	3.95	-40.82
CCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)N=C1C	REAL300017101385	0	38	-1.0	-55.62	332.28	2.08	-53.54
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017101386	0	31	-1.0	-43.48	306.96	1.25	-42.23
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017101387	0	38	-1.0	-49.76	329.02	1.93	-47.83
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300017101388	0	37	-1.0	-48.73	322.61	2.76	-45.97
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017101389	0	44	-1.0	-47.91	374.74	4.13	-43.78
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017101390	0	32	-1.0	-51.31	285.97	2.01	-49.30
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017101391	0	32	-1.0	-43.62	299.85	2.53	-41.09
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017101392	0	38	-1.0	-43.25	339.31	3.78	-39.47
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017101393	0	38	-1.0	-47.29	359.54	3.02	-44.27
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300017101394	0	40	-1.0	-47.57	351.11	1.97	-45.60
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017101395	0	35	-1.0	-44.30	334.62	3.60	-40.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300017101396	0	36	-1.0	-49.14	326.47	-0.74	-49.88
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017101397	0	41	-1.0	-46.45	368.25	5.12	-41.33
COCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101398	0	39	-1.0	-46.68	341.78	2.00	-44.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017101399	0	34	-1.0	-41.64	332.05	3.67	-37.97
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C(C(=O)OC)S1	REAL300017101400	0	41	-1.0	-48.13	381.80	3.51	-44.62
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101401	0	38	-1.0	-47.42	336.16	3.82	-43.60
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017101402	0	35	-1.0	-47.25	322.60	3.40	-43.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017101403	0	44	-1.0	-62.20	383.28	0.79	-61.41
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017101404	0	39	-1.0	-41.34	352.05	2.70	-38.64
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017101405	0	32	-1.0	-42.00	320.72	3.48	-38.52
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017101406	0	40	-1.0	-43.36	354.48	-0.34	-43.70
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1F	REAL300017101436	0	41	-1.0	-46.64	367.92	3.88	-42.76
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017101437	0	40	-1.0	-49.52	341.76	2.82	-46.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017101438	0	32	-1.0	-42.14	305.84	2.92	-39.22
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101439	0	51	-1.0	-55.93	412.36	6.09	-49.84
CO[C@H](C)[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017101440	0	35	-1.0	-48.09	335.06	3.84	-44.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017101441	0	33	-1.0	-43.30	321.23	3.23	-40.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300017101442	0	39	-1.0	-55.14	348.68	1.42	-53.72
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017101443	0	40	-1.0	-47.58	343.64	2.87	-44.71
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1Cl	REAL300017101444	0	36	-1.0	-41.95	340.20	2.58	-39.37
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101445	0	44	-1.0	-43.31	337.37	5.20	-38.11
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300017101446	0	44	-1.0	-43.68	368.84	1.11	-42.57
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CS1	REAL300017101447	0	35	-1.0	-47.01	332.09	1.92	-45.09
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101448	0	41	-1.0	-46.95	369.20	4.77	-42.18
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017101449	0	43	-1.0	-45.79	390.21	5.60	-40.19
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017101450	0	38	-1.0	-50.22	352.90	2.97	-47.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017101451	0	38	-1.0	-47.23	369.86	3.48	-43.75
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1C	REAL300017101452	0	41	-1.0	-49.14	348.33	3.51	-45.63
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017101453	0	34	-1.0	-42.40	336.23	3.57	-38.83
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300017101454	0	44	-1.0	-49.42	360.13	2.74	-46.68
CCOC(=O)N1CCC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300017101455	0	46	-1.0	-47.09	377.22	2.15	-44.94
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300017101456	0	41	-1.0	-49.75	361.19	1.32	-48.43
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017101457	0	31	-1.0	-40.31	311.91	1.33	-38.98
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017101458	0	35	-1.0	-52.93	316.48	2.66	-50.27
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300017101459	0	35	-1.0	-46.69	312.75	0.94	-45.75
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2CCCN21)C(=O)[O-]	REAL300017101460	0	36	-1.0	-52.38	314.45	1.73	-50.65
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017101461	0	40	-1.0	-48.40	340.42	2.91	-45.49
COC1=CC=C(Cl)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101462	0	36	-1.0	-46.81	329.96	2.14	-44.67
COC(=O)C1=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C2=CC=CC=C2S1	REAL300017101463	0	41	-1.0	-53.84	372.61	4.70	-49.14
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101464	0	41	-1.0	-48.27	361.77	3.69	-44.58
CO[C@H](C)[C@H](NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017101465	0	39	-1.0	-58.59	327.78	3.98	-54.61
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300017101466	0	42	-1.0	-49.87	368.44	4.07	-45.80
CO[C@H](C)[C@H](NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017101467	0	47	-1.0	-45.99	403.34	3.36	-42.63
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300017101468	0	34	-1.0	-42.28	322.93	2.59	-39.69
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017101469	0	43	-1.0	-63.41	365.54	3.31	-60.10
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017101470	0	32	-1.0	-44.31	317.63	3.46	-40.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017101471	0	32	-1.0	-42.45	322.85	3.36	-39.09
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101472	0	42	-1.0	-50.40	345.37	3.83	-46.57
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C(C)=C1)C(=O)[O-]	REAL300017101473	0	36	-1.0	-42.43	326.70	3.17	-39.26
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1F	REAL300017101474	0	38	-1.0	-47.81	346.03	2.97	-44.84
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101475	0	36	-1.0	-42.51	313.54	2.90	-39.61
COC1=CC=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101476	0	39	-1.0	-46.07	327.67	2.39	-43.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017101477	0	33	-1.0	-40.70	325.30	3.14	-37.56
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1Cl	REAL300017101478	0	39	-1.0	-43.95	344.17	2.82	-41.13
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S1	REAL300017101479	0	38	-1.0	-38.59	352.26	2.71	-35.88
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1)C(=O)[O-]	REAL300017101480	0	39	-1.0	-47.35	345.99	1.26	-46.09
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1OC	REAL300017101481	0	40	-1.0	-55.27	355.76	1.94	-53.33
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017101482	0	36	-1.0	-46.28	330.27	1.89	-44.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017101483	0	35	-1.0	-40.37	329.13	3.30	-37.07
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300017101484	0	43	-1.0	-46.39	378.06	-0.63	-47.02
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300017101485	0	36	-1.0	-47.88	328.97	3.44	-44.44
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(Br)=C1	REAL300017101486	0	36	-1.0	-45.43	331.36	2.30	-43.13
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017101487	0	37	-1.0	-58.17	343.49	-2.10	-60.27
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300017101488	0	38	-1.0	-44.11	323.90	1.75	-42.36
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101489	0	38	-1.0	-50.09	336.01	3.38	-46.71
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017101490	0	32	-1.0	-42.24	316.18	3.36	-38.88
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300017101491	0	38	-1.0	-43.10	319.22	3.91	-39.19
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017101492	0	32	-1.0	-41.45	318.62	3.52	-37.93
COC1=CC2=C(C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)OCC(=O)N2	REAL300017101493	0	42	-1.0	-44.99	347.45	-0.40	-45.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300017101494	0	30	-1.0	-41.50	299.22	1.83	-39.67
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017101495	0	33	-1.0	-48.95	298.31	0.64	-48.31
COC1=CN=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101496	0	35	-1.0	-46.06	309.39	-0.28	-46.34
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017101497	0	32	-1.0	-47.57	299.18	2.52	-45.05
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1OC	REAL300017101498	0	42	-1.0	-47.66	366.89	2.95	-44.71
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017101499	0	36	-1.0	-50.40	337.96	-0.43	-50.83
CCOC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101500	0	39	-1.0	-47.76	338.07	2.50	-45.26
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300017101501	0	43	-1.0	-51.90	363.35	3.49	-48.41
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300017101502	0	36	-1.0	-40.54	343.13	3.47	-37.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300017101539	0	33	-1.0	-47.02	315.19	2.77	-44.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1C)C(=O)[O-]	REAL300017101540	0	36	-1.0	-41.93	318.96	3.48	-38.45
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C(=O)N(C)C	REAL300017101541	0	46	-1.0	-53.88	386.72	2.04	-51.84
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017101542	0	40	-1.0	-46.90	360.49	3.40	-43.50
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017101543	0	37	-1.0	-42.49	330.93	3.46	-39.03
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300017101544	0	35	-1.0	-45.63	324.97	3.67	-41.96
COC(=O)C1=COC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101545	0	35	-1.0	-48.64	326.60	1.03	-47.61
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=N1	REAL300017101546	0	43	-1.0	-55.98	374.45	3.04	-52.94
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300017101547	0	34	-1.0	-47.41	316.79	1.75	-45.66
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300017101548	0	42	-1.0	-57.61	364.71	2.94	-54.67
COC1=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)SC=C1	REAL300017101549	0	33	-1.0	-49.15	307.03	1.31	-47.84
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017101550	0	42	-1.0	-60.12	361.63	2.08	-58.04
CO[C@H](C)[C@H](NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-]	REAL300017101551	0	34	-1.0	-40.32	307.27	1.83	-38.49
CO[C@H](C)[C@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300017101552	0	37	-1.0	-49.41	332.39	2.30	-47.11
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2)C(=O)[O-]	REAL300017101553	0	38	-1.0	-49.26	333.99	-0.16	-49.42
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300017101554	0	44	-1.0	-48.68	360.93	2.83	-45.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300017101555	0	34	-1.0	-43.48	321.19	1.53	-41.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300017101556	0	35	-1.0	-57.13	317.82	3.37	-53.76
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101557	0	40	-1.0	-53.30	339.91	2.82	-50.48
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017101558	0	34	-1.0	-43.42	317.12	1.51	-41.91
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300017101559	0	38	-1.0	-46.09	338.09	1.34	-44.75
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017101560	0	31	-1.0	-41.73	307.89	2.04	-39.69
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017101561	0	41	-1.0	-46.73	359.71	3.93	-42.80
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C)=C1C#N)C(=O)[O-]	REAL300017101562	0	36	-1.0	-48.05	318.87	2.86	-45.19
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC(OC)=C1	REAL300017101563	0	40	-1.0	-49.07	343.78	0.85	-48.22
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300017101564	0	33	-1.0	-42.26	320.20	3.24	-39.02
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300017101565	0	38	-1.0	-53.61	333.08	3.59	-50.02
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017101566	0	40	-1.0	-54.31	338.51	4.03	-50.28
CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1CC	REAL300017101567	0	44	-1.0	-47.74	363.86	4.85	-42.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300017101568	0	40	-1.0	-42.62	341.75	4.51	-38.11
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300017101569	0	35	-1.0	-46.11	318.14	3.43	-42.68
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C(C)O1	REAL300017101570	0	38	-1.0	-45.16	344.39	1.80	-43.36
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300017101571	0	35	-1.0	-45.57	317.02	2.62	-42.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC=C1F)C(=O)[O-]	REAL300017101572	0	35	-1.0	-48.05	306.31	3.27	-44.78
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300017101573	0	33	-1.0	-43.30	309.57	0.13	-43.17
CCC1=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S1	REAL300017101574	0	34	-1.0	-44.88	316.73	0.87	-44.01
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300017101575	0	38	-1.0	-50.94	330.23	4.08	-46.86
COC(=O)C1=NSC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101576	0	34	-1.0	-49.88	319.12	1.14	-48.74
COC(=O)C1=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)SC=N1	REAL300017101577	1	34	-1.0	-50.93	326.88	0.04	-50.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300017101578	0	38	-1.0	-43.19	331.84	3.58	-39.61
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300017101579	0	40	-1.0	-52.96	344.39	0.69	-52.27
CO[C@H](C)[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-]	REAL300017101580	0	43	-1.0	-46.00	350.35	0.40	-45.60
COC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CN1C	REAL300017101581	0	39	-1.0	-49.06	345.98	2.34	-46.72
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300017101582	0	31	-1.0	-42.80	298.48	0.97	-41.83
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C)=C1F)C(=O)[O-]	REAL300017101583	0	35	-1.0	-49.29	298.87	2.56	-46.73
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300017101584	0	43	-1.0	-45.74	369.09	4.14	-41.60
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017101585	0	35	-1.0	-44.95	328.10	3.45	-41.50
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017101586	0	35	-1.0	-41.53	330.61	3.50	-38.03
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017101587	0	32	-1.0	-47.19	299.35	2.98	-44.21
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300017101588	0	35	-1.0	-44.57	314.53	3.01	-41.56
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CN=C1Cl	REAL300017101589	0	35	-1.0	-44.04	327.58	0.24	-43.80
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300017101590	0	36	-1.0	-45.99	332.21	3.32	-42.67
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=N1	REAL300017101591	0	37	-1.0	-45.28	337.45	1.11	-44.17
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017101592	0	31	-1.0	-46.15	302.28	1.60	-44.55
COCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101593	0	39	-1.0	-45.13	339.88	1.97	-43.16
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101594	0	37	-1.0	-42.20	319.56	2.47	-39.73
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101595	0	38	-1.0	-44.21	356.33	3.40	-40.81
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C(=O)[O-]	REAL300017101596	0	35	-1.0	-56.02	328.08	0.22	-55.80
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=N1	REAL300017101597	0	38	-1.0	-45.59	335.50	-0.09	-45.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017101598	0	41	-1.0	-56.49	371.50	0.49	-56.00
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017101599	0	39	-1.0	-51.15	348.74	1.28	-49.87
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017101600	0	46	-1.0	-61.28	378.34	3.86	-57.42
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300017101601	0	35	-1.0	-50.39	312.33	0.90	-49.49
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300017101602	0	38	-1.0	-41.26	338.36	4.13	-37.13
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101603	0	42	-1.0	-48.92	357.51	-0.11	-49.03
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300017101604	0	49	-1.0	-52.05	399.65	4.26	-47.79
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C(F)(F)F	REAL300017101605	0	41	-1.0	-46.95	371.66	3.74	-43.21
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300017101606	0	41	-1.0	-45.22	359.68	4.77	-40.45
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300017101607	0	35	-1.0	-45.46	318.64	3.48	-41.98
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017101608	0	35	-1.0	-42.16	322.69	4.16	-38.00
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101609	0	46	-1.0	-52.89	396.34	0.44	-52.45
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101610	0	45	-1.0	-45.97	373.33	3.95	-42.02
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1C	REAL300017101611	0	44	-1.0	-46.08	379.42	4.39	-41.69
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101612	0	44	-1.0	-48.09	383.62	4.60	-43.49
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1OC	REAL300017101613	0	43	-1.0	-52.16	380.29	2.05	-50.11
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C(F)C=C1C	REAL300017101614	0	44	-1.0	-45.63	372.28	4.06	-41.57
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017101615	0	38	-1.0	-43.65	346.24	4.24	-39.41
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101616	0	41	-1.0	-46.83	356.25	3.52	-43.31
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017101617	0	42	-1.0	-48.62	359.01	5.65	-42.97
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101618	0	46	-1.0	-50.15	405.62	0.08	-50.07
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017101619	0	35	-1.0	-47.09	325.83	3.51	-43.58
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CN1C	REAL300017101620	0	44	-1.0	-48.10	388.73	3.50	-44.60
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017101621	0	36	-1.0	-46.64	333.44	3.17	-43.47
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017101622	0	35	-1.0	-45.58	320.88	3.21	-42.37
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300017101623	0	34	-1.0	-43.56	310.02	1.67	-41.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017101624	0	35	-1.0	-51.92	325.63	1.67	-50.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017101625	0	33	-1.0	-43.28	310.11	1.13	-42.15
COC(=O)C(C)(C)CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101626	0	40	-1.0	-49.67	334.30	2.17	-47.50
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101627	0	45	-1.0	-53.31	378.86	3.12	-50.19
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(F)=C1	REAL300017101628	0	38	-1.0	-49.00	333.27	2.58	-46.42
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101629	0	43	-1.0	-52.89	368.95	1.59	-51.30
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300017101630	0	47	-1.0	-46.51	399.66	5.10	-41.41
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300017101631	0	38	-1.0	-46.06	330.45	3.64	-42.42
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101632	0	44	-1.0	-54.61	390.37	1.49	-53.12
COC(=O)C1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CCCC1	REAL300017101633	0	44	-1.0	-44.95	359.52	3.35	-41.60
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101634	0	39	-1.0	-44.02	358.52	2.51	-41.51
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017101635	0	38	-1.0	-41.95	339.31	3.77	-38.18
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300017101636	0	43	-1.0	-44.87	392.12	5.64	-39.23
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101637	0	41	-1.0	-49.53	363.67	3.71	-45.82
CO[C@H](C)[C@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300017101638	0	42	-1.0	-43.47	330.99	3.58	-39.89
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300017101639	0	38	-1.0	-45.79	345.70	4.17	-41.62
COC(=O)C1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CCC1	REAL300017101640	0	41	-1.0	-44.70	344.65	2.58	-42.12
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300017101641	0	32	-1.0	-40.91	317.38	2.45	-38.46
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101642	0	45	-1.0	-47.84	396.32	2.65	-45.19
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101643	0	48	-1.0	-47.80	418.18	3.58	-44.22
COC(=O)C1(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CCCCC1	REAL300017101644	0	47	-1.0	-46.35	371.07	4.00	-42.35
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101645	0	40	-1.0	-49.13	354.49	3.27	-45.86
CO[C@H](C)[C@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101646	1	34	-1.0	-52.30	308.08	1.03	-51.27
CO[C@H](C)[C@H](NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300017101647	0	36	-1.0	-50.30	305.78	1.73	-48.57
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300017101648	0	45	-1.0	-52.86	384.66	6.08	-46.78
CO[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300017101649	0	35	-1.0	-46.36	331.47	3.54	-42.82
CO[C@H](C)[C@H](NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300017101650	0	42	-1.0	-42.61	358.82	4.54	-38.07
CO[C@H](C)[C@H](NS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300017101651	0	44	-1.0	-42.91	348.52	3.67	-39.24
CO[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017101652	0	36	-1.0	-46.81	332.62	3.90	-42.91
CO[C@H](C)[C@H](NS(=O)(=O)CCCC(C)(F)F)C(=O)[O-]	REAL300017101653	0	37	-1.0	-42.24	321.76	2.35	-39.89
CO[C@H](C)[C@H](NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300017101654	0	41	-1.0	-43.53	351.00	4.51	-39.02
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300017101656	0	36	-1.0	-46.51	325.79	-2.15	-48.66
CCCC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101660	0	41	-1.0	-43.77	335.57	4.66	-39.11
CO[C@H](C)[C@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300017101661	0	41	-1.0	-48.62	344.43	2.89	-45.73
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300017101662	0	32	-1.0	-45.46	295.99	2.40	-43.06
CO[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017101663	0	38	-1.0	-44.60	336.95	3.81	-40.79
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017101664	0	48	-1.0	-50.08	404.46	5.19	-44.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300017101665	0	37	-1.0	-51.08	322.71	2.83	-48.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300017101666	0	52	-1.0	-59.39	412.17	4.69	-54.70
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101667	0	39	-1.0	-49.59	346.06	2.48	-47.11
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300017101668	0	46	-1.0	-44.64	380.36	2.32	-42.32
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300017101669	0	47	-1.0	-61.14	397.41	4.93	-56.21
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C21	REAL300017101670	0	46	-1.0	-63.49	387.54	4.22	-59.27
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300017101671	0	39	-1.0	-48.52	334.70	1.93	-46.59
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300017101672	0	39	-1.0	-46.29	328.78	2.00	-44.29
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300017101673	0	42	-1.0	-44.97	351.66	2.75	-42.22
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300017101681	0	38	-1.0	-48.84	353.56	3.19	-45.65
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300017101682	0	38	-1.0	-46.56	337.44	-0.49	-47.05
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017101683	1	29	-1.0	-42.89	281.25	1.39	-41.50
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2CCCCN21)C(=O)[O-]	REAL300017101684	0	39	-1.0	-56.93	325.07	2.04	-54.89
COC1=C(F)C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1F	REAL300017101685	0	36	-1.0	-44.07	332.59	1.82	-42.25
COC1=CC(F)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1F	REAL300017101686	0	36	-1.0	-44.44	315.34	1.31	-43.13
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300017101687	0	48	-1.0	-45.02	381.49	4.29	-40.73
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300017101688	0	42	-1.0	-45.78	360.22	3.67	-42.11
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300017101689	0	35	-1.0	-43.80	307.44	2.85	-40.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300017101690	0	40	-1.0	-51.06	342.47	2.83	-48.23
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017101691	0	40	-1.0	-46.32	355.39	1.95	-44.37
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300017101692	0	40	-1.0	-45.36	353.04	4.46	-40.90
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101693	0	36	-1.0	-46.73	320.90	2.90	-43.83
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300017101694	0	35	-1.0	-43.62	326.48	3.57	-40.05
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300017101695	0	49	-1.0	-59.47	393.45	4.28	-55.19
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300017101696	0	38	-1.0	-50.19	336.93	2.80	-47.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C)C(=O)[O-]	REAL300017101697	0	46	-1.0	-60.60	386.15	3.89	-56.71
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC=C1Cl)C(=O)[O-]	REAL300017101698	0	29	-1.0	-54.49	289.54	1.59	-52.90
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300017101699	0	32	-1.0	-43.54	305.74	0.38	-43.16
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017101700	0	34	-1.0	-42.65	320.61	1.44	-41.21
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300017101701	0	37	-1.0	-59.85	327.08	1.89	-57.96
CO[C@H](C)[C@H](NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300017101702	0	41	-1.0	-45.96	332.22	2.22	-43.74
CO[C@H](C)[C@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300017101703	0	36	-1.0	-47.63	326.96	2.32	-45.31
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300017101704	0	33	-1.0	-42.09	299.68	1.03	-41.06
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300017101705	0	35	-1.0	-48.98	325.31	3.73	-45.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CNC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300017101706	0	36	-1.0	-46.17	326.42	2.28	-43.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300017101707	0	35	-1.0	-55.25	328.23	1.87	-53.38
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300017101708	0	39	-1.0	-46.77	336.60	1.92	-44.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300017101709	0	41	-1.0	-44.27	336.65	4.49	-39.78
COC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1OC	REAL300017101710	0	40	-1.0	-51.42	343.33	2.13	-49.29
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300017101711	0	41	-1.0	-59.05	355.04	-0.50	-59.55
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300017101712	0	33	-1.0	-42.64	327.25	3.18	-39.46
CO[C@H](C)[C@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300017101713	0	35	-1.0	-47.67	302.05	2.04	-45.63
COC1=CC=C(F)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1OC	REAL300017101714	0	40	-1.0	-51.82	345.77	2.59	-49.23
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300017101715	0	45	-1.0	-48.77	369.70	3.02	-45.75
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300017101716	0	36	-1.0	-47.25	335.97	4.15	-43.10
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300017101717	0	39	-1.0	-49.88	343.10	2.16	-47.72
CO[C@H](C)[C@H](NC(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017101718	0	34	-1.0	-55.33	318.82	6.29	-49.04
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300017101719	0	36	-1.0	-48.80	325.95	1.86	-46.94
CO[C@H](C)[C@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300017101720	0	36	-1.0	-49.40	328.74	2.40	-47.00
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017101721	0	35	-1.0	-50.24	315.54	1.48	-48.76
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300017101722	0	37	-1.0	-58.57	318.21	0.67	-57.90
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300017101724	0	38	-1.0	-43.43	339.86	4.15	-39.28
CO[C@H](C)[C@H](NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300017101725	0	43	-1.0	-44.20	341.08	2.69	-41.51
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300017101726	0	38	-1.0	-41.90	349.13	3.27	-38.63
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300017101727	0	35	-1.0	-46.52	320.88	2.67	-43.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300017101728	0	42	-1.0	-49.22	358.18	2.63	-46.59
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300017101729	0	50	-1.0	-45.94	396.03	6.15	-39.79
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300017101730	0	38	-1.0	-42.21	356.01	4.11	-38.10
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)SC=C1)C(=O)[O-]	REAL300017101731	0	29	-1.0	-54.54	289.76	1.69	-52.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300017101732	0	42	-1.0	-49.22	360.71	2.93	-46.29
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300017101733	0	36	-1.0	-46.79	323.45	3.47	-43.32
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300017101734	0	43	-1.0	-43.75	367.21	5.00	-38.75
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300017101735	0	45	-1.0	-52.94	376.53	0.68	-52.26
COC1=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C2=NC=CC=C2C=C1	REAL300017101736	0	41	-1.0	-58.86	349.35	3.54	-55.32
CCCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101737	0	41	-1.0	-46.17	351.10	4.49	-41.68
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101738	0	38	-1.0	-49.04	342.00	0.68	-48.36
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300017101739	0	33	-1.0	-43.26	306.19	2.42	-40.84
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300017101740	0	39	-1.0	-49.09	331.39	1.85	-47.24
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017101741	0	36	-1.0	-39.84	342.92	3.63	-36.21
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C2C=C1	REAL300017101742	0	44	-1.0	-47.38	385.49	5.16	-42.22
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC=C1C)C(=O)[O-]	REAL300017101743	0	38	-1.0	-45.86	313.55	3.88	-41.98
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300017101744	0	41	-1.0	-44.66	327.52	2.06	-42.60
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300017101745	0	41	-1.0	-48.52	351.21	1.99	-46.53
CO[C@H](C)[C@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300017101746	0	39	-1.0	-46.75	333.67	1.27	-45.48
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017101747	0	37	-1.0	-43.25	337.64	2.09	-41.16
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017101748	0	35	-1.0	-41.44	332.18	3.36	-38.08
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CF)C=C1)C(=O)[O-]	REAL300017101749	0	35	-1.0	-44.74	314.46	3.11	-41.63
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300017101750	0	32	-1.0	-43.08	302.46	2.64	-40.44
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017101751	0	32	-1.0	-41.12	318.46	2.38	-38.74
CO[C@H](C)[C@H](NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300017101752	0	37	-1.0	-38.05	301.67	1.17	-36.88
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017101753	0	35	-1.0	-40.13	336.71	3.66	-36.47
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C)=C1C)C(=O)[O-]	REAL300017101754	0	38	-1.0	-44.27	313.96	3.60	-40.67
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300017101755	0	35	-1.0	-46.29	303.50	3.45	-42.84
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101756	0	43	-1.0	-50.20	369.38	4.28	-45.92
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300017101757	0	43	-1.0	-47.99	355.85	5.31	-42.68
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300017101758	0	42	-1.0	-48.96	365.04	3.93	-45.03
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300017101759	0	38	-1.0	-43.45	343.30	3.17	-40.28
CO[C@H](C)[C@H](NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017101760	0	38	-1.0	-47.16	328.14	2.71	-44.45
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300017101761	0	37	-1.0	-40.93	324.59	2.95	-37.98
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1)C(=O)[O-]	REAL300017101762	0	41	-1.0	-58.73	360.84	2.25	-56.48
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300017101763	0	32	-1.0	-43.63	301.12	2.51	-41.12
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300017101764	0	39	-1.0	-45.62	334.02	4.35	-41.27
COC1=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=CS1	REAL300017101765	0	33	-1.0	-44.08	295.77	1.01	-43.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017101766	0	35	-1.0	-42.29	312.36	3.71	-38.58
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101767	0	38	-1.0	-44.60	351.69	2.60	-42.00
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300017101768	0	39	-1.0	-48.62	327.77	4.01	-44.61
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300017101769	0	42	-1.0	-46.44	344.25	2.67	-43.77
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101770	0	41	-1.0	-45.07	344.76	2.12	-42.95
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101771	0	41	-1.0	-51.30	357.92	-0.21	-51.51
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300017101772	0	35	-1.0	-54.26	338.81	-1.23	-55.49
CO[C@H](C)[C@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300017101773	0	46	-1.0	-43.67	350.63	3.11	-40.56
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101774	0	36	-1.0	-40.14	311.46	2.19	-37.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300017101775	0	46	-1.0	-48.77	376.63	1.38	-47.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300017101776	0	38	-1.0	-46.27	338.01	3.77	-42.50
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300017101777	0	36	-1.0	-47.92	325.97	1.86	-46.06
CO[C@H](C)[C@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017101778	0	47	-1.0	-43.87	382.10	4.96	-38.91
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)S1	REAL300017101779	0	33	-1.0	-45.06	310.50	0.73	-44.33
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300017101780	0	43	-1.0	-56.49	353.62	4.36	-52.13
CO[C@H](C)[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300017101781	0	40	-1.0	-41.36	342.25	2.40	-38.96
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300017101782	0	35	-1.0	-45.78	317.47	0.95	-44.83
CCOCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101783	0	42	-1.0	-45.57	361.72	2.93	-42.64
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300017101786	0	42	-1.0	-49.19	364.49	3.40	-45.79
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300017101787	0	45	-1.0	-48.14	371.19	3.20	-44.94
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017101788	0	43	-1.0	-47.30	375.40	5.13	-42.17
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300017101789	0	35	-1.0	-43.72	303.62	3.24	-40.48
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300017101790	0	38	-1.0	-44.51	344.42	4.02	-40.49
CCN1N=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1Cl	REAL300017101791	0	35	-1.0	-43.38	311.95	0.63	-42.75
CO[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017101792	0	36	-1.0	-46.68	336.64	3.98	-42.70
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C2	REAL300017101793	0	38	-1.0	-44.06	369.90	3.50	-40.56
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017101795	0	34	-1.0	-49.37	315.25	1.11	-48.26
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017101796	0	37	-1.0	-51.24	343.17	3.47	-47.77
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017101797	0	37	-1.0	-48.89	334.88	3.11	-45.78
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300017101798	0	41	-1.0	-50.14	345.52	5.16	-44.98
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300017101799	0	39	-1.0	-46.62	344.39	2.66	-43.96
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300017101800	0	46	-1.0	-45.56	391.30	3.80	-41.76
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017101801	0	32	-1.0	-45.85	301.78	2.50	-43.35
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C(=O)[O-]	REAL300017101802	0	38	-1.0	-60.18	348.45	-1.43	-61.61
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300017101803	0	42	-1.0	-52.40	357.74	3.61	-48.79
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300017101804	0	38	-1.0	-46.73	357.91	-0.32	-47.05
CO[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017101805	0	36	-1.0	-45.17	323.12	3.51	-41.66
CO[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300017101806	0	36	-1.0	-44.04	338.00	4.06	-39.98
CO[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300017101807	0	36	-1.0	-44.84	338.00	4.07	-40.77
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300017101808	0	36	-1.0	-46.99	330.53	3.59	-43.40
COC(=O)C1CCCCN1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101809	0	43	-1.0	-51.87	348.68	2.88	-48.99
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300017101810	0	54	-1.0	-49.16	416.41	6.46	-42.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017101811	0	35	-1.0	-43.89	330.27	3.05	-40.84
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101812	0	43	-1.0	-45.80	354.74	3.06	-42.74
COC(=O)C=CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1	REAL300017101813	0	42	-1.0	-46.30	373.13	4.19	-42.11
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=NN1	REAL300017101814	0	38	-1.0	-47.94	346.92	0.09	-47.85
COC1=CSC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1OC	REAL300017101815	0	37	-1.0	-41.98	326.88	-0.08	-42.06
CO[C@H](C)[C@H](NC(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C)C(=O)[O-]	REAL300017101816	0	49	-1.0	-59.98	352.58	7.16	-52.82
CO[C@H](C)[C@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300017101817	0	44	-1.0	-44.64	340.49	2.62	-42.02
CO[C@H](C)[C@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300017101818	0	43	-1.0	-44.14	366.85	4.19	-39.95
CO[C@H](C)[C@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300017101819	0	43	-1.0	-60.44	362.06	9.36	-51.08
CO[C@H](C)[C@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017101820	0	49	-1.0	-58.30	381.88	8.75	-49.55
CO[C@H](C)[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300017101821	0	50	-1.0	-56.69	386.69	5.29	-51.40
COC(=O)C1CCN(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CC1	REAL300017101822	0	42	-1.0	-62.07	338.20	5.21	-56.86
CO[C@H](C)[C@H](NC(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300017101823	0	39	-1.0	-65.01	322.82	1.21	-63.80
CO[C@H](C)[C@H](NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)C(=O)[O-]	REAL300017101824	0	51	-1.0	-57.29	400.74	5.77	-51.52
COC(=O)C1CN(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)CCO1	REAL300017101825	0	40	-1.0	-56.46	330.31	3.58	-52.88
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300017101826	0	36	-1.0	-47.42	333.91	3.07	-44.35
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300017101827	0	36	-1.0	-47.17	330.29	1.89	-45.28
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300017101828	0	38	-1.0	-50.59	331.11	2.23	-48.36
CO[C@H](C)[C@H](NC(=O)N1CCC(OC(C)=O)CC1)C(=O)[O-]	REAL300017101829	0	42	-1.0	-57.87	339.37	5.45	-52.42
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300017101830	0	39	-1.0	-51.18	338.52	4.01	-47.17
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300017101831	0	35	-1.0	-47.34	312.95	3.69	-43.65
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300017101832	0	41	-1.0	-44.82	365.53	2.77	-42.05
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017101833	0	29	-1.0	-39.90	311.78	2.38	-37.52
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)N(C)N=C1)C(=O)[O-]	REAL300017101834	0	32	-1.0	-43.12	289.95	-0.26	-43.38
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017101835	0	45	-1.0	-51.58	379.37	4.66	-46.92
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300017101836	0	49	-1.0	-46.37	405.15	4.19	-42.18
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300017101837	0	35	-1.0	-47.91	340.36	3.62	-44.29
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300017101838	0	37	-1.0	-47.44	339.14	2.97	-44.47
COC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101839	0	40	-1.0	-45.75	343.50	1.69	-44.06
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017101840	0	43	-1.0	-51.41	377.11	5.21	-46.20
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300017101841	0	38	-1.0	-48.06	316.87	4.03	-44.03
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300017101842	0	37	-1.0	-44.64	341.58	0.86	-43.78
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300017101843	0	33	-1.0	-45.85	315.02	1.13	-44.72
CO[C@H](C)[C@H](NC(=O)N1CCCC(OC(C)=O)C1)C(=O)[O-]	REAL300017101844	0	42	-1.0	-67.47	339.53	5.39	-62.08
COCN1N=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101845	0	36	-1.0	-48.72	309.74	-0.50	-49.22
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1C)C(=O)[O-]	REAL300017101846	0	34	-1.0	-41.74	311.51	1.74	-40.00
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101847	0	43	-1.0	-48.16	370.38	3.90	-44.26
CCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C2CC2)=N1	REAL300017101848	0	42	-1.0	-50.15	363.90	3.06	-47.09
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300017101849	0	36	-1.0	-50.89	324.72	1.67	-49.22
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300017101850	0	38	-1.0	-44.68	347.44	5.03	-39.65
CO[C@H](C)[C@H](NS(=O)(=O)N1CCC(OC(C)=O)C1)C(=O)[O-]	REAL300017101851	0	40	-1.0	-45.29	345.63	1.50	-43.79
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017101852	0	42	-1.0	-46.27	377.39	6.22	-40.05
CCC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC=C1Br	REAL300017101853	0	38	-1.0	-42.95	343.86	4.12	-38.83
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300017101854	0	45	-1.0	-48.21	373.49	3.43	-44.78
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300017101855	0	29	-1.0	-40.88	293.68	1.79	-39.09
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101856	0	46	-1.0	-45.49	373.38	2.87	-42.62
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300017101857	0	38	-1.0	-57.40	343.06	5.00	-52.40
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300017101858	0	40	-1.0	-50.04	335.58	-0.09	-50.13
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300017101859	0	39	-1.0	-45.76	327.59	4.43	-41.33
CO[C@H](C)[C@H](NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300017101860	0	43	-1.0	-44.05	339.39	2.39	-41.66
CO[C@H](C)[C@H](NS(=O)(=O)N1CCC(COC(C)=O)CC1)C(=O)[O-]	REAL300017101861	0	46	-1.0	-46.50	381.81	3.08	-43.42
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101862	0	46	-1.0	-44.40	389.79	3.24	-41.16
CO[C@H](C)[C@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300017101863	0	42	-1.0	-40.91	338.78	-0.23	-41.14
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C)=N1	REAL300017101864	0	38	-1.0	-45.03	325.33	-0.27	-45.30
COC1=NC=C(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101865	0	38	-1.0	-48.34	318.17	0.03	-48.31
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300017101866	0	47	-1.0	-47.46	388.60	2.66	-44.80
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101867	0	35	-1.0	-43.61	313.48	-0.11	-43.72
COC1=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300017101868	0	38	-1.0	-45.41	333.78	-0.29	-45.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300017101869	0	41	-1.0	-46.93	347.76	2.39	-44.54
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300017101870	0	41	-1.0	-48.61	350.05	1.87	-46.74
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300017101871	0	31	-1.0	-44.27	314.05	0.26	-44.01
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C#N)C=CS1)C(=O)[O-]	REAL300017101872	0	30	-1.0	-43.93	294.28	1.63	-42.30
CO[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017101873	0	36	-1.0	-43.44	349.58	4.41	-39.03
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300017101874	0	38	-1.0	-54.86	323.40	1.23	-53.63
COC(=O)C1=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C	REAL300017101875	0	40	-1.0	-45.51	353.49	1.65	-43.86
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101876	0	35	-1.0	-46.46	324.80	4.16	-42.30
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300017101877	0	39	-1.0	-45.67	335.44	2.46	-43.21
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300017101878	0	39	-1.0	-50.11	336.00	3.49	-46.62
COC1=NOC(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101879	0	35	-1.0	-41.54	313.99	-1.53	-43.07
CO[C@H](C)[C@H](NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300017101880	0	37	-1.0	-50.77	321.47	2.70	-48.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300017101881	0	41	-1.0	-45.95	347.69	1.99	-43.96
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300017101882	0	39	-1.0	-47.33	346.59	4.48	-42.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300017101883	0	34	-1.0	-41.70	312.16	1.27	-40.43
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300017101884	0	46	-1.0	-46.68	394.38	5.81	-40.87
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300017101885	0	39	-1.0	-50.60	348.22	4.52	-46.08
CO[C@H](C)[C@H](NC(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300017101886	0	39	-1.0	-57.71	321.05	5.53	-52.18
CO[C@H](C)[C@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300017101887	0	36	-1.0	-47.54	322.37	2.22	-45.32
CO[C@H](C)[C@H](NC(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300017101888	0	34	-1.0	-55.71	297.16	5.08	-50.63
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300017101889	0	35	-1.0	-49.72	313.81	2.87	-46.85
CO[C@H](C)[C@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300017101890	0	40	-1.0	-44.47	340.37	-2.05	-46.52
CO[C@H](C)[C@H](NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300017101891	0	39	-1.0	-46.05	318.18	0.42	-45.63
CO[C@H](C)[C@H](NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300017101892	0	38	-1.0	-44.55	310.51	1.33	-43.22
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300017101894	0	39	-1.0	-44.21	339.29	4.56	-39.65
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl)C(=O)[O-]	REAL300017101895	0	35	-1.0	-54.27	331.05	3.75	-50.52
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300017101896	0	36	-1.0	-43.66	325.62	1.73	-41.93
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017101897	0	39	-1.0	-50.32	344.14	2.96	-47.36
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C(C(F)F)=C1	REAL300017101898	0	39	-1.0	-44.70	338.05	2.56	-42.14
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101899	0	38	-1.0	-42.40	333.79	0.71	-41.69
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300017101900	0	40	-1.0	-53.05	328.89	3.89	-49.16
CO[C@H](C)[C@H](NC(=O)N1CC(OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017101901	0	44	-1.0	-57.18	369.58	5.73	-51.45
CO[C@H](C)[C@H](NC(=O)N1CC(NC(=O)OC(C)(C)C)C1)C(=O)[O-]	REAL300017101902	0	47	-1.0	-58.09	380.45	2.55	-55.54
CO[C@H](C)[C@H](NC(=O)N1CCC(COC(C)=O)CC1)C(=O)[O-]	REAL300017101903	0	45	-1.0	-61.68	360.75	6.19	-55.49
COC(=O)C1CCCN(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C1	REAL300017101904	0	42	-1.0	-56.22	337.97	5.17	-51.05
CO[C@H](C)[C@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300017101905	0	35	-1.0	-41.23	318.25	2.01	-39.22
CO[C@H](C)[C@H](NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300017101907	0	34	-1.0	-40.99	303.56	0.75	-40.24
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300017101908	0	45	-1.0	-48.21	362.70	4.36	-43.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC(Cl)=C1)C(=O)[O-]	REAL300017101909	0	32	-1.0	-40.44	309.58	2.69	-37.75
CO[C@H](C)[C@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300017101910	0	39	-1.0	-47.30	344.29	2.71	-44.59
CO[C@H](C)[C@H](NS(=O)(=O)C1=C2CCCCN2N=C1)C(=O)[O-]	REAL300017101911	0	39	-1.0	-48.00	327.73	1.57	-46.43
CN1C=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=N1	REAL300017101912	0	36	-1.0	-60.25	316.92	4.89	-55.36
CC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300017101914	0	39	-1.0	-54.23	334.19	7.85	-46.38
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC(F)=CC(Cl)=C3)CCC2=C1	REAL300017101915	0	36	-1.0	-55.41	335.51	7.76	-47.65
O=C([O-])C1=CC=C2CN(C(=O)OCC3C4=CC=CC=C4C4=CC=CC=C43)CCC2=C1	REAL300017101932	0	50	-1.0	-55.29	412.04	14.20	-41.09
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300017101933	0	41	-1.0	-62.74	366.92	2.13	-60.61
N#CC1=CC=CC=C1CS(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300017101934	0	40	-1.0	-58.92	354.96	8.13	-50.79
CC1=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=CC([N+](=O)[O-])=C1C	REAL300017101935	0	44	-1.0	-59.82	373.45	8.89	-50.93
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=C1C	REAL300017101936	0	44	-1.0	-60.84	365.30	8.78	-52.06
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C4OCCOC4=C3)CCC2=C1	REAL300017101937	0	42	-1.0	-57.36	357.26	6.34	-51.02
O=C([O-])C1=CC=C2CN(S(=O)(=O)C=CC3=CC=CC=C3)CCC2=C1	REAL300017101938	0	40	-1.0	-57.70	344.29	8.35	-49.35
CN1C=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C(=O)N(C)C1=O	REAL300017101939	0	42	-1.0	-64.38	357.69	5.97	-58.41
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300017101940	0	42	-1.0	-59.30	348.07	6.18	-53.12
CC1=NNC(C)=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300017101941	0	39	-1.0	-58.21	325.95	4.92	-53.29
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C4NC(=O)OC4=C3)CCC2=C1	REAL300017101942	0	39	-1.0	-62.45	344.11	4.68	-57.77
O=C([O-])C1=CC=C2CN(S(=O)(=O)CC3=CC=CC=C3)CCC2=C1	REAL300017101943	0	39	-1.0	-61.04	336.12	7.92	-53.12
COC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300017101944	0	40	-1.0	-55.23	342.26	6.48	-48.75
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CCC2=C1	REAL300017101945	0	38	-1.0	-70.82	332.84	9.00	-61.82
CCOC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300017101946	0	43	-1.0	-55.02	364.12	7.40	-47.62
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C(F)C=C3F)CCC2=C1	REAL300017101947	0	36	-1.0	-55.92	320.63	7.16	-48.76
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C(F)C=C3)CCC2=C1	REAL300017101948	0	36	-1.0	-54.51	319.18	7.25	-47.26
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=CC(F)=C3)CCC2=C1	REAL300017101949	0	36	-1.0	-55.28	319.18	7.25	-48.03
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=C1C	REAL300017101950	0	48	-1.0	-53.62	367.86	9.50	-44.12
CC1=CC(C)=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C(C)=C1	REAL300017101951	0	45	-1.0	-55.75	356.75	9.24	-46.51
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300017101952	0	51	-1.0	-53.26	401.73	10.14	-43.12
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C(Cl)C(Cl)=C3)CCC2=C1	REAL300017101953	0	36	-1.0	-54.30	344.70	8.16	-46.14
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C(F)C(F)=C3)CCC2=C1	REAL300017101954	0	36	-1.0	-55.61	325.48	7.30	-48.31
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC(Cl)=CC=C3Cl)CCC2=C1	REAL300017101955	0	36	-1.0	-55.78	335.99	8.00	-47.78
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=CC(C(F)(F)F)=C3)CCC2=C1	REAL300017101956	0	39	-1.0	-55.61	351.85	8.19	-47.42
CC1=CC=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=C1	REAL300017101957	0	39	-1.0	-54.14	334.19	7.84	-46.30
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=CC=C3C(F)(F)F)CCC2=C1	REAL300017101958	0	39	-1.0	-62.82	340.54	8.66	-54.16
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=CC=C3F)CCC2=C1	REAL300017101959	0	36	-1.0	-57.98	314.25	7.11	-50.87
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=CC(Cl)=C3)CCC2=C1	REAL300017101960	0	36	-1.0	-54.63	329.51	7.70	-46.93
CC(=O)C1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300017101961	0	41	-1.0	-58.06	354.00	7.60	-50.46
CC1=CC=C(C)C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=C1	REAL300017101962	0	42	-1.0	-53.28	347.61	8.55	-44.73
CC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1C	REAL300017101963	0	42	-1.0	-54.35	351.20	8.38	-45.97
C=CCCCS(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300017101964	0	39	-1.0	-60.02	331.99	6.99	-53.03
N#CC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1F	REAL300017101965	0	37	-1.0	-58.58	339.48	7.61	-50.97
O=C([O-])C1=CC=C2CN(S(=O)(=O)CCC3CCOCC3)CCC2=C1	REAL300017101966	0	46	-1.0	-61.38	369.51	6.46	-54.92
CC1=CC(C)=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)S1	REAL300017101967	0	39	-1.0	-53.63	342.42	7.58	-46.05
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C4C(=O)CCCC4=C3)CCC2=C1	REAL300017101968	0	45	-1.0	-60.04	377.20	8.78	-51.26
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C(Cl)C4=NON=C43)CCC2=C1	REAL300017101969	0	37	-1.0	-58.83	344.15	6.50	-52.33
O=C([O-])C1=CC=C2CN(S(=O)(=O)CC3=CC=C(C(F)F)C=C3)CCC2=C1	REAL300017101970	0	42	-1.0	-63.19	368.31	8.79	-54.40
CN1C=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C(C(F)(F)F)=N1	REAL300017101971	0	39	-1.0	-60.05	341.15	5.61	-54.44
CC1=CC=CC(C)=C1CS(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300017101972	0	45	-1.0	-60.12	366.14	9.12	-51.00
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=C(F)C=CS3)CCC2=C1	REAL300017101973	0	33	-1.0	-57.75	308.99	6.30	-51.45
O=C([O-])C1=CC=C2CN(S(=O)(=O)CCC3CCOC3)CCC2=C1	REAL300017101974	0	43	-1.0	-55.50	352.09	5.69	-49.81
COC(CS(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1)C1=CC=CC=C1	REAL300017101975	0	46	-1.0	-60.20	387.73	8.20	-52.00
O=C([O-])C1=CC=C2CN(S(=O)(=O)CC3CCCCC3(F)F)CCC2=C1	REAL300017101976	0	45	-1.0	-55.25	365.82	8.32	-46.93
O=C([O-])C1=CC=C2CN(S(=O)(=O)CCOCC3=CC=CC=C3)CCC2=C1	REAL300017101977	0	46	-1.0	-59.94	391.61	7.95	-51.99
O=C([O-])C1=CC=C2CN(S(=O)(=O)CC3CC(F)(F)C3)CCC2=C1	REAL300017101978	0	39	-1.0	-62.84	337.64	7.15	-55.69
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C(C4CC4)C=C3)CCC2=C1	REAL300017101979	0	43	-1.0	-54.15	362.00	9.29	-44.86
COC1=CC=C2C=C(S(=O)(=O)N3CCC4=CC(C(=O)[O-])=CC=C4C3)CCC2=C1	REAL300017101980	0	48	-1.0	-56.00	395.30	8.83	-47.17
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C(OC4CC4)C=C3)CCC2=C1	REAL300017101981	0	44	-1.0	-55.78	373.27	8.13	-47.65
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C(F)C(Cl)=C3)CCC2=C1	REAL300017101982	0	36	-1.0	-54.83	335.37	7.75	-47.08
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=C1	REAL300017101983	0	41	-1.0	-60.36	354.03	7.59	-52.77
CC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C(C)=C1	REAL300017101984	0	42	-1.0	-57.05	340.46	8.18	-48.87
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=CC(Cl)=C3Cl)CCC2=C1	REAL300017101985	0	36	-1.0	-55.21	330.07	7.78	-47.43
COC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1[N+](=O)[O-]	REAL300017101986	0	42	-1.0	-60.93	368.29	7.92	-53.01
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300017101987	0	48	-1.0	-53.87	388.95	9.49	-44.38
CC(C)C1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300017101988	0	45	-1.0	-53.84	373.00	9.11	-44.73
CCC(C)C1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300017101989	0	48	-1.0	-53.93	391.45	9.77	-44.16
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=C(Cl)C=CC=C3Cl)CCC2=C1	REAL300017101990	0	36	-1.0	-57.05	333.70	8.41	-48.64
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C(Cl)S3)CCC2=C1	REAL300017101991	0	33	-1.0	-53.41	321.70	6.78	-46.63
CCCC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300017101992	0	45	-1.0	-53.76	377.13	9.38	-44.38
COC1=CC=CC=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300017101993	0	40	-1.0	-58.72	336.29	7.00	-51.72
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C(F)C(F)=C3F)CCC2=C1	REAL300017101994	0	36	-1.0	-57.53	326.82	7.24	-50.29
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3)CCC2=C1	REAL300017101995	0	36	-1.0	-55.21	345.83	8.20	-47.01
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=CC=C3Cl)CCC2=C1	REAL300017101996	0	36	-1.0	-57.19	317.73	7.37	-49.82
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=CC(Br)=C3)CCC2=C1	REAL300017101997	0	36	-1.0	-54.53	334.07	7.80	-46.73
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=C(F)C=CC=C3F)CCC2=C1	REAL300017101998	0	36	-1.0	-59.62	320.88	7.45	-52.17
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C(Cl)N=C3)CCC2=C1	REAL300017101999	0	35	-1.0	-57.51	324.20	5.79	-51.72
N#CC1=CC=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=C1	REAL300017102000	0	37	-1.0	-57.96	333.61	7.57	-50.39
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C(F)=C1	REAL300017130036	0	40	-1.0	-57.34	345.88	7.14	-50.20
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300017130037	0	38	-1.0	-51.49	338.36	6.85	-44.64
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1	REAL300017130038	0	40	-1.0	-54.01	359.09	6.27	-47.74
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017130039	0	46	-1.0	-55.91	380.11	7.14	-48.77
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017130040	0	52	-1.0	-46.11	382.03	7.29	-38.82
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300017130041	0	42	-1.0	-54.62	352.80	7.37	-47.25
CCN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017130042	0	42	-1.0	-63.82	360.32	7.61	-56.21
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017130043	0	45	-1.0	-55.15	373.77	4.21	-50.94
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300017130044	0	48	-1.0	-51.04	414.34	6.95	-44.09
CCCN1C=NC(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130045	0	40	-1.0	-50.10	343.92	6.43	-43.67
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017130046	0	35	-1.0	-45.82	338.94	6.57	-39.25
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C#N)SC=C1	REAL300017130047	0	32	-1.0	-58.96	296.19	4.69	-54.27
CCN(CCCC(=O)[O-])S(=O)(=O)CC1CCC(F)CC1	REAL300017130048	0	43	-1.0	-49.34	342.88	6.88	-42.46
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300017130049	0	37	-1.0	-51.47	331.49	6.77	-44.70
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017130050	0	40	-1.0	-50.60	344.13	6.66	-43.94
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300017130051	0	43	-1.0	-54.58	382.24	7.14	-47.44
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300017130052	0	40	-1.0	-57.21	363.46	6.56	-50.65
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F	REAL300017130053	0	43	-1.0	-57.92	368.81	6.72	-51.20
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1C	REAL300017130054	0	40	-1.0	-48.31	351.58	7.61	-40.70
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017130055	0	37	-1.0	-48.31	339.02	6.97	-41.34
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017130056	0	34	-1.0	-51.33	331.50	6.67	-44.66
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300017130057	0	41	-1.0	-60.29	351.98	3.11	-57.18
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1	REAL300017130058	0	59	-1.0	-47.90	476.44	10.62	-37.28
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1	REAL300017130059	0	49	-1.0	-57.31	405.88	8.02	-49.29
CCC1CCN(S(=O)(=O)N(CC)CCCC(=O)[O-])CC1	REAL300017130060	0	45	-1.0	-45.67	352.06	6.07	-39.60
CCN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017130061	0	40	-1.0	-48.05	347.07	7.29	-40.76
CCN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1F	REAL300017130062	0	40	-1.0	-57.61	346.22	7.25	-50.36
CCN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017130063	0	40	-1.0	-56.71	353.34	7.58	-49.13
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1OC	REAL300017130064	0	38	-1.0	-49.00	347.73	6.32	-42.68
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O	REAL300017130065	0	49	-1.0	-56.20	396.83	4.74	-51.46
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1	REAL300017130066	0	45	-1.0	-60.17	383.80	6.03	-54.14
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1	REAL300017130067	0	41	-1.0	-49.37	374.20	8.30	-41.07
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC(OC)CC1	REAL300017130068	0	43	-1.0	-52.77	342.73	3.72	-49.05
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017130069	0	37	-1.0	-48.02	342.27	7.08	-40.94
CCC(C)OC1=CC=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130070	0	47	-1.0	-53.36	386.05	7.33	-46.03
CCN(CCCC(=O)[O-])S(=O)(=O)CC(C)CC(F)(F)F	REAL300017130071	0	39	-1.0	-59.76	327.80	5.80	-53.96
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017130072	0	41	-1.0	-54.99	362.87	7.41	-47.58
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C	REAL300017130073	0	46	-1.0	-54.46	381.99	5.23	-49.23
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1OC	REAL300017130074	0	38	-1.0	-53.67	327.15	5.70	-47.97
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300017130075	0	40	-1.0	-48.82	354.00	5.07	-43.75
CCC1=NC(S(=O)(=O)N(CC)CCCC(=O)[O-])=CN1CC1CC1	REAL300017130076	0	47	-1.0	-59.43	387.59	7.35	-52.08
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1	REAL300017130077	0	45	-1.0	-51.48	379.83	6.18	-45.30
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017130078	0	37	-1.0	-50.70	336.35	5.16	-45.54
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017130079	0	37	-1.0	-49.85	339.52	5.23	-44.62
CCCOC1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1C(C)C	REAL300017130080	0	53	-1.0	-53.15	427.48	8.72	-44.43
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300017130081	0	42	-1.0	-49.77	352.64	7.71	-42.06
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300017130082	0	41	-1.0	-51.63	339.99	5.51	-46.12
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017130083	0	47	-1.0	-52.29	393.76	7.89	-44.40
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017130084	0	48	-1.0	-54.21	413.50	9.03	-45.18
CCN(CCCC(=O)[O-])S(=O)(=O)CC(OC)C1=CC=C(F)C=C1	REAL300017130085	0	44	-1.0	-49.96	377.21	6.82	-43.14
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017130086	0	46	-1.0	-56.51	379.97	7.13	-49.38
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1	REAL300017130087	0	42	-1.0	-53.45	377.92	4.56	-48.89
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12	REAL300017130088	0	46	-1.0	-53.21	384.67	8.61	-44.60
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1	REAL300017130089	0	45	-1.0	-57.86	380.72	4.76	-53.10
CCN(CCCC(=O)[O-])S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017130090	0	43	-1.0	-55.45	341.80	6.77	-48.68
CCOC1(CS(=O)(=O)N(CC)CCCC(=O)[O-])CCOCC1	REAL300017130091	0	48	-1.0	-58.15	373.00	4.45	-53.70
CCOC(CS(=O)(=O)N(CC)CCCC(=O)[O-])C1CC1	REAL300017130092	0	44	-1.0	-46.76	359.48	6.02	-40.74
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300017130093	0	40	-1.0	-57.23	353.13	6.12	-51.11
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2	REAL300017130094	0	45	-1.0	-56.48	381.77	7.05	-49.43
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300017130095	0	37	-1.0	-50.11	334.46	4.20	-45.91
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017130096	0	45	-1.0	-48.33	396.65	9.77	-38.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1C	REAL300017130097	0	37	-1.0	-48.24	331.23	6.81	-41.43
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1Br	REAL300017130098	0	37	-1.0	-57.62	331.14	7.06	-50.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(=O)OC	REAL300017130099	0	40	-1.0	-63.91	353.45	6.68	-57.23
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017130100	0	42	-1.0	-53.69	354.68	3.42	-50.27
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300017130101	0	38	-1.0	-48.29	346.82	5.59	-42.70
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300017130102	0	40	-1.0	-53.39	351.54	6.42	-46.97
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300017130103	0	40	-1.0	-56.53	339.77	7.00	-49.53
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CCOC)N=C1	REAL300017130104	0	41	-1.0	-52.99	356.44	3.29	-49.70
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)N(CC2CC2)N=C1C	REAL300017130105	0	47	-1.0	-54.59	380.78	6.93	-47.66
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017130106	0	41	-1.0	-50.39	360.46	6.23	-44.16
CCN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017130107	0	42	-1.0	-50.93	368.87	7.89	-43.04
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017130108	0	34	-1.0	-50.55	323.02	6.33	-44.22
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017130109	0	37	-1.0	-46.50	330.88	6.54	-39.96
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017130110	0	41	-1.0	-69.08	360.71	3.55	-65.53
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC	REAL300017130111	0	43	-1.0	-48.24	371.94	6.65	-41.59
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300017130112	0	37	-1.0	-54.94	330.19	7.06	-47.88
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300017130113	0	41	-1.0	-57.05	341.89	5.76	-51.29
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300017130114	0	38	-1.0	-51.82	345.95	5.64	-46.18
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017130115	0	37	-1.0	-57.61	359.86	2.67	-54.94
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017130116	0	37	-1.0	-56.17	340.59	4.74	-51.43
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017130117	0	45	-1.0	-54.71	370.92	6.79	-47.92
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300017130118	0	42	-1.0	-57.79	374.97	2.45	-55.34
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300017130119	0	45	-1.0	-56.88	396.44	3.34	-53.54
CCC(=O)NCC1=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=CC=C1OC	REAL300017130120	0	51	-1.0	-59.22	426.93	4.84	-54.38
CCC1=CC=C(CS(=O)(=O)N(CC)CCCC(=O)[O-])C=C1	REAL300017130121	0	43	-1.0	-56.99	362.04	7.87	-49.12
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1Br	REAL300017130122	0	38	-1.0	-48.61	332.86	5.27	-43.34
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017130123	0	49	-1.0	-56.77	409.77	6.11	-50.66
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300017130124	0	43	-1.0	-50.92	378.19	4.08	-46.84
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017130125	0	36	-1.0	-47.90	344.29	5.58	-42.32
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1	REAL300017130126	0	39	-1.0	-52.57	353.59	6.71	-45.86
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl	REAL300017130127	0	39	-1.0	-53.49	344.10	6.42	-47.07
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300017130128	0	35	-1.0	-48.61	338.13	6.67	-41.94
CCOC1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1Br	REAL300017130129	0	41	-1.0	-52.61	367.79	6.56	-46.05
CCN(CCCC(=O)[O-])S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017130130	0	48	-1.0	-61.37	412.65	5.14	-56.23
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017130131	0	37	-1.0	-58.65	329.79	6.49	-52.16
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130132	0	47	-1.0	-50.28	404.01	7.43	-42.85
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1	REAL300017130133	0	43	-1.0	-46.84	342.34	3.90	-42.94
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300017130134	0	44	-1.0	-52.86	369.60	6.56	-46.30
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300017130135	0	50	-1.0	-48.05	408.01	8.01	-40.04
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017130136	0	48	-1.0	-54.47	387.56	7.73	-46.74
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300017130137	0	47	-1.0	-47.91	389.05	7.41	-40.50
CCCOC1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1	REAL300017130138	0	44	-1.0	-48.07	368.95	6.71	-41.36
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300017130139	0	38	-1.0	-52.94	341.53	5.52	-47.42
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017130140	0	38	-1.0	-53.86	351.29	5.80	-48.06
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300017130141	0	41	-1.0	-53.90	345.59	5.72	-48.18
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300017130142	0	47	-1.0	-53.51	385.36	7.27	-46.24
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300017130143	0	41	-1.0	-53.29	333.50	5.44	-47.85
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300017130144	0	45	-1.0	-49.21	381.07	5.18	-44.03
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C(C)=C1	REAL300017130145	0	48	-1.0	-55.54	401.07	5.91	-49.63
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300017130146	0	37	-1.0	-52.71	324.46	6.47	-46.24
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130147	0	45	-1.0	-61.78	386.77	5.34	-56.44
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017130148	0	49	-1.0	-55.56	400.68	5.13	-50.43
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300017130149	0	44	-1.0	-65.70	365.31	5.36	-60.34
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1Br	REAL300017130150	0	37	-1.0	-59.08	330.85	6.99	-52.09
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300017130151	0	40	-1.0	-62.41	364.21	3.55	-58.86
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC	REAL300017130152	0	40	-1.0	-53.76	359.55	7.89	-45.87
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017130153	0	35	-1.0	-52.05	332.22	6.48	-45.57
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300017130154	0	37	-1.0	-47.30	334.69	7.17	-40.13
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300017130155	0	42	-1.0	-58.02	335.94	7.94	-50.08
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl	REAL300017130156	0	40	-1.0	-50.81	356.14	6.59	-44.22
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300017130157	0	43	-1.0	-64.87	361.42	3.52	-61.35
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300017130158	0	38	-1.0	-58.13	344.37	7.43	-50.70
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300017130159	0	35	-1.0	-53.88	332.25	6.48	-47.40
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1	REAL300017130160	0	50	-1.0	-51.56	407.06	7.42	-44.14
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017130161	0	46	-1.0	-56.44	405.05	3.52	-52.92
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300017130162	0	42	-1.0	-55.06	372.72	1.85	-53.21
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(C)=O)S1	REAL300017130163	0	44	-1.0	-53.65	392.32	4.63	-49.02
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300017130164	0	37	-1.0	-55.44	333.02	4.34	-51.10
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)N=C(C)S1	REAL300017130165	0	36	-1.0	-49.88	316.67	4.07	-45.81
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017130166	0	36	-1.0	-51.11	319.46	7.33	-43.78
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017130167	0	37	-1.0	-56.08	352.61	7.45	-48.63
CCOC(=O)C1=C(C)C(S(=O)(=O)N(CC)CCCC(=O)[O-])=C(C)N1	REAL300017130168	0	47	-1.0	-54.26	389.06	6.28	-47.98
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017130169	0	34	-1.0	-56.60	311.85	6.50	-50.10
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300017130170	0	40	-1.0	-51.90	375.95	6.25	-45.65
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017130171	0	54	-1.0	-48.18	430.68	9.30	-38.88
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017130172	0	44	-1.0	-57.31	393.28	5.25	-52.06
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1C	REAL300017130173	0	43	-1.0	-53.55	358.97	6.80	-46.75
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017130174	0	36	-1.0	-63.32	332.96	7.90	-55.42
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1F	REAL300017130175	0	42	-1.0	-50.43	357.22	4.87	-45.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300017130176	0	45	-1.0	-52.75	362.90	5.35	-47.40
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017130177	0	36	-1.0	-53.26	335.21	7.77	-45.49
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300017130178	0	42	-1.0	-59.27	350.01	7.15	-52.12
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017130179	0	37	-1.0	-58.28	334.64	6.54	-51.74
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300017130180	0	39	-1.0	-56.98	338.61	1.83	-55.15
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300017130181	0	37	-1.0	-47.32	330.13	7.07	-40.25
CCOC(=O)C1CCCN1S(=O)(=O)N(CC)CCCC(=O)[O-]	REAL300017130182	0	45	-1.0	-49.49	372.19	6.12	-43.37
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300017130183	0	42	-1.0	-56.91	360.55	3.32	-53.59
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300017130184	0	44	-1.0	-48.18	346.15	6.28	-41.90
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017130185	0	42	-1.0	-50.58	360.98	5.11	-45.47
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(C(=O)OC)C=C1	REAL300017130186	0	43	-1.0	-59.59	373.97	7.10	-52.49
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC(C(=O)OC)CC1	REAL300017130187	0	45	-1.0	-55.09	364.94	5.35	-49.74
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017130188	0	45	-1.0	-51.78	371.52	5.81	-45.97
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(=O)OC)=C1	REAL300017130189	0	43	-1.0	-63.03	373.97	7.09	-55.94
CCOC(=O)C1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])O1	REAL300017130190	0	40	-1.0	-55.23	354.88	5.27	-49.96
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1	REAL300017130191	0	47	-1.0	-53.19	402.91	6.76	-46.43
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300017130192	0	44	-1.0	-50.78	361.81	6.56	-44.22
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017130193	0	38	-1.0	-64.10	331.83	5.91	-58.19
CCOC(=O)CCCS(=O)(=O)N(CC)CCCC(=O)[O-]	REAL300017130194	0	42	-1.0	-64.39	355.24	5.78	-58.61
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017130195	0	37	-1.0	-48.82	323.61	7.20	-41.62
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017130196	0	36	-1.0	-62.99	337.52	8.00	-54.99
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300017130197	0	39	-1.0	-57.60	315.27	7.05	-50.55
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017130198	0	36	-1.0	-49.09	332.01	6.65	-42.44
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Br)C=CS1	REAL300017130199	0	31	-1.0	-55.48	304.69	5.22	-50.26
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017130200	0	38	-1.0	-54.57	328.56	5.89	-48.68
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300017130201	0	42	-1.0	-54.90	334.41	6.57	-48.33
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017130202	0	36	-1.0	-49.26	330.87	5.08	-44.18
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017130203	0	42	-1.0	-57.12	358.32	4.85	-52.27
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017130204	0	33	-1.0	-46.07	319.43	4.75	-41.32
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017130205	0	36	-1.0	-52.21	326.77	6.34	-45.87
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017130206	0	36	-1.0	-50.88	340.42	6.79	-44.09
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(CC)CCCC(=O)[O-]	REAL300017130207	0	43	-1.0	-55.27	375.51	4.29	-50.98
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300017130208	0	39	-1.0	-67.01	349.79	6.56	-60.45
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017130209	0	36	-1.0	-67.91	329.75	6.97	-60.94
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017130210	0	36	-1.0	-53.47	328.09	6.27	-47.20
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017130211	0	41	-1.0	-54.54	366.93	6.36	-48.18
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017130212	0	36	-1.0	-51.73	337.49	8.01	-43.72
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017130213	0	48	-1.0	-54.19	407.27	8.95	-45.24
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300017130214	0	42	-1.0	-62.09	372.06	2.38	-59.71
CCC(=O)C1=CC=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130215	0	42	-1.0	-59.67	359.09	6.94	-52.73
CCOC(=O)N1CCN(S(=O)(=O)N(CC)CCCC(=O)[O-])CC1	REAL300017130216	0	47	-1.0	-56.05	379.17	4.34	-51.71
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21	REAL300017130217	0	43	-1.0	-50.04	371.15	6.75	-43.29
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017130218	0	44	-1.0	-54.95	382.60	7.23	-47.72
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017130219	0	37	-1.0	-52.64	318.13	4.62	-48.02
CCN(CCCC(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300017130220	0	56	-1.0	-54.34	430.52	8.45	-45.89
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300017130221	0	42	-1.0	-58.15	369.67	2.40	-55.75
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1	REAL300017130222	0	37	-1.0	-58.29	325.57	6.50	-51.79
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300017130223	0	40	-1.0	-61.70	361.12	3.22	-58.48
CCOC1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C2=CC=CC=C12	REAL300017130224	0	47	-1.0	-58.92	387.52	8.40	-50.52
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC)CCCC(=O)[O-]	REAL300017130225	0	44	-1.0	-50.68	363.87	7.22	-43.46
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017130226	0	39	-1.0	-63.28	344.30	5.84	-57.44
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017130227	0	41	-1.0	-55.76	357.17	6.78	-48.98
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017130228	0	36	-1.0	-52.29	340.43	6.80	-45.49
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300017130229	0	35	-1.0	-60.08	312.69	5.86	-54.22
CCOCCOC1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1	REAL300017130230	0	48	-1.0	-49.20	402.93	6.15	-43.05
CCCCCOC1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1	REAL300017130231	0	50	-1.0	-47.90	411.94	8.27	-39.63
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017130232	0	36	-1.0	-49.36	326.31	7.83	-41.53
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1	REAL300017130233	0	40	-1.0	-54.70	355.36	6.35	-48.35
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl	REAL300017130234	0	40	-1.0	-49.55	368.42	6.97	-42.58
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC	REAL300017130235	0	44	-1.0	-55.91	375.41	6.30	-49.61
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)OC)S1	REAL300017130236	0	40	-1.0	-50.89	365.88	6.30	-44.59
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CS1	REAL300017130237	0	37	-1.0	-54.93	344.51	5.35	-49.58
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C	REAL300017130238	0	46	-1.0	-58.69	372.20	7.18	-51.51
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(=O)OC)=C1	REAL300017130239	0	40	-1.0	-53.61	363.34	6.71	-46.90
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1	REAL300017130240	0	43	-1.0	-54.55	366.84	6.86	-47.69
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1F	REAL300017130241	0	40	-1.0	-51.98	353.27	6.31	-45.67
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017130242	0	44	-1.0	-56.51	351.74	8.39	-48.12
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017130243	0	40	-1.0	-52.96	343.82	7.52	-45.44
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300017130244	0	33	-1.0	-50.77	312.39	4.48	-46.29
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017130245	0	38	-1.0	-48.67	352.48	7.15	-41.52
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2COCC2=C1	REAL300017130246	0	39	-1.0	-48.64	332.03	4.97	-43.67
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017130247	0	39	-1.0	-52.17	346.72	1.13	-51.04
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300017130248	0	48	-1.0	-53.59	409.05	7.63	-45.96
CCN(CCCC(=O)[O-])S(=O)(=O)CC1(CC(=O)OC)CC1	REAL300017130249	0	43	-1.0	-56.18	362.37	6.22	-49.96
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC	REAL300017130250	0	39	-1.0	-49.71	352.24	5.97	-43.74
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300017130251	0	37	-1.0	-52.10	325.25	6.37	-45.73
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300017130252	0	41	-1.0	-50.85	360.22	6.83	-44.02
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300017130253	0	46	-1.0	-55.12	386.75	7.21	-47.91
CCCCCCN1C=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C(=O)NC1=O	REAL300017130254	0	52	-1.0	-60.87	430.48	6.45	-54.42
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1	REAL300017130255	0	44	-1.0	-59.15	380.63	7.71	-51.44
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1	REAL300017130256	0	41	-1.0	-58.16	370.04	4.76	-53.40
CCN(CCCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC	REAL300017130257	0	41	-1.0	-65.09	356.43	0.32	-64.77
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300017130258	0	37	-1.0	-47.89	325.25	6.37	-41.52
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl	REAL300017130259	0	39	-1.0	-49.35	347.22	7.20	-42.15
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300017130260	0	31	-1.0	-53.85	297.86	4.28	-49.57
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300017130261	0	40	-1.0	-53.65	345.20	6.87	-46.78
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017130262	0	31	-1.0	-50.05	312.05	5.53	-44.52
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017130263	0	37	-1.0	-52.72	341.75	7.19	-45.53
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017130264	0	37	-1.0	-52.56	352.07	7.63	-44.93
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300017130265	0	40	-1.0	-50.25	357.33	8.37	-41.88
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017130266	0	37	-1.0	-53.78	344.31	7.43	-46.35
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017130267	0	40	-1.0	-56.24	339.54	8.40	-47.84
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017130268	0	40	-1.0	-61.94	354.05	8.62	-53.32
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300017130269	0	45	-1.0	-56.60	401.36	4.61	-51.99
CCOC(=O)C1=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=CN1C	REAL300017130270	0	44	-1.0	-59.56	379.63	6.69	-52.87
CCOC(=O)C1CC2=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=CC=C2O1	REAL300017130271	0	48	-1.0	-56.71	409.52	7.91	-48.80
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300017130272	0	40	-1.0	-58.55	361.12	3.22	-55.33
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300017130273	0	43	-1.0	-59.78	381.15	5.33	-54.45
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300017130274	0	47	-1.0	-58.61	403.44	7.24	-51.37
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1	REAL300017130275	0	40	-1.0	-49.65	352.10	7.68	-41.97
CCN(CCCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017130276	0	45	-1.0	-61.57	395.41	2.77	-58.80
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017130277	0	35	-1.0	-47.29	324.01	6.31	-40.98
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300017130278	0	45	-1.0	-53.26	370.63	6.33	-46.93
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)N1C	REAL300017130279	0	34	-1.0	-46.81	308.64	4.59	-42.22
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C	REAL300017130280	0	39	-1.0	-51.63	344.90	7.19	-44.44
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300017130281	0	38	-1.0	-52.40	351.23	7.14	-45.26
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300017130282	0	34	-1.0	-59.16	316.78	4.50	-54.66
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300017130283	0	37	-1.0	-69.70	338.61	6.54	-63.16
CCN(CCCC(=O)[O-])S(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017130284	0	46	-1.0	-56.35	396.48	8.20	-48.15
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(N(C)C)=CC=C1Br	REAL300017130285	0	42	-1.0	-48.68	355.87	6.39	-42.29
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1	REAL300017130286	0	39	-1.0	-54.48	353.79	5.48	-49.00
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC	REAL300017130287	0	40	-1.0	-64.59	357.17	7.90	-56.69
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CC)CCCC(=O)[O-]	REAL300017130288	0	46	-1.0	-47.98	365.83	6.02	-41.96
CCC1=NOC2=NC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C12	REAL300017130289	0	41	-1.0	-56.17	357.33	3.34	-52.83
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300017130290	0	39	-1.0	-56.26	346.52	6.86	-49.40
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C(=O)OC	REAL300017130291	0	40	-1.0	-64.61	346.84	7.46	-57.15
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017130292	0	37	-1.0	-53.30	314.61	4.78	-48.52
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017130293	0	37	-1.0	-45.58	352.60	7.52	-38.06
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300017130294	0	42	-1.0	-57.37	372.37	3.95	-53.42
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017130295	0	33	-1.0	-46.32	315.02	4.66	-41.66
CCN(CCCC(=O)[O-])S(=O)(=O)C1CCCCC1C(=O)OC	REAL300017130296	0	46	-1.0	-47.23	359.56	6.39	-40.84
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1	REAL300017130297	0	47	-1.0	-51.24	394.35	8.30	-42.94
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300017130298	0	41	-1.0	-61.04	342.39	5.71	-55.33
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300017130299	0	38	-1.0	-54.51	354.17	7.19	-47.32
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017130300	0	40	-1.0	-52.02	364.66	3.72	-48.30
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1OC	REAL300017130301	0	38	-1.0	-49.37	347.72	6.31	-43.06
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017130302	0	43	-1.0	-63.93	362.54	9.43	-54.50
CCC1=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C(C(=O)OC)O1	REAL300017130303	0	43	-1.0	-53.69	365.57	5.65	-48.04
CCN(CCCC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017130304	0	51	-1.0	-60.21	402.69	7.44	-52.77
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300017130305	0	41	-1.0	-49.76	338.66	5.48	-44.28
CCN(CCCC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017130306	0	54	-1.0	-62.46	412.04	7.28	-55.18
CCN(CCCC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017130307	0	48	-1.0	-60.17	385.67	5.82	-54.35
CCN(CCCC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017130308	0	45	-1.0	-58.87	391.28	6.35	-52.52
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC	REAL300017130309	0	42	-1.0	-63.64	368.64	8.06	-55.58
CCN(CCCC(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1	REAL300017130310	0	44	-1.0	-52.89	350.41	6.62	-46.27
CCN(CCCC(=O)[O-])S(=O)(=O)CC1(C)CCCCC1	REAL300017130311	0	46	-1.0	-46.01	345.24	7.22	-38.79
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017130312	0	43	-1.0	-54.89	355.36	7.02	-47.87
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017130313	0	37	-1.0	-52.30	335.76	4.53	-47.77
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300017130314	0	38	-1.0	-52.45	331.75	5.05	-47.40
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300017130315	0	45	-1.0	-52.75	380.12	6.00	-46.75
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300017130316	0	48	-1.0	-51.31	408.01	7.03	-44.28
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300017130317	0	43	-1.0	-57.03	350.82	7.78	-49.25
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017130318	0	48	-1.0	-49.59	406.57	9.18	-40.41
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=CC=C2O1	REAL300017130319	0	49	-1.0	-54.93	417.17	8.22	-46.71
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130320	0	46	-1.0	-53.52	380.83	7.72	-45.80
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017130321	0	34	-1.0	-46.20	331.41	6.94	-39.26
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300017130322	0	34	-1.0	-51.37	325.50	5.93	-45.44
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1F	REAL300017130323	0	38	-1.0	-55.27	328.01	4.96	-50.31
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300017130324	0	42	-1.0	-60.56	345.91	8.44	-52.12
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017130325	0	40	-1.0	-48.35	357.10	7.46	-40.89
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300017130326	0	44	-1.0	-47.94	383.69	8.62	-39.32
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C=C1	REAL300017130327	0	42	-1.0	-49.31	363.28	3.90	-45.41
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300017130328	0	42	-1.0	-50.02	347.14	6.05	-43.97
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017130329	0	40	-1.0	-54.45	337.47	6.08	-48.37
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017130331	0	37	-1.0	-52.95	328.22	6.53	-46.42
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017130332	0	37	-1.0	-51.73	348.93	7.05	-44.68
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017130333	0	37	-1.0	-53.50	332.50	6.44	-47.06
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300017130334	0	37	-1.0	-52.87	336.18	6.82	-46.05
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC)CCCC(=O)[O-]	REAL300017130335	0	45	-1.0	-66.44	371.86	4.64	-61.80
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300017130336	0	38	-1.0	-62.80	328.86	6.69	-56.11
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300017130337	0	45	-1.0	-74.69	379.42	5.62	-69.07
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017130338	0	46	-1.0	-59.49	390.63	5.37	-54.12
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1	REAL300017130339	0	40	-1.0	-53.20	359.49	6.50	-46.70
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300017130340	0	44	-1.0	-54.82	386.72	5.03	-49.79
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300017130341	0	44	-1.0	-55.64	375.43	6.31	-49.33
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1C	REAL300017130342	0	37	-1.0	-48.04	331.22	6.82	-41.22
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300017130343	0	42	-1.0	-54.80	353.86	7.70	-47.10
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017130344	0	42	-1.0	-61.72	359.05	6.97	-54.75
CCN(CCCC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017130345	0	40	-1.0	-65.50	335.35	2.03	-63.47
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300017130346	0	44	-1.0	-50.85	376.25	6.60	-44.25
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017130347	0	39	-1.0	-59.55	344.29	5.85	-53.70
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300017130348	0	38	-1.0	-50.28	332.73	5.21	-45.07
CCOC1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C(C)=C1	REAL300017130349	0	44	-1.0	-53.02	355.35	6.37	-46.65
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300017130350	0	42	-1.0	-61.20	372.64	1.84	-59.36
CCN(CCCC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O	REAL300017130351	0	36	-1.0	-63.94	320.06	0.84	-63.10
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1C(=O)OC	REAL300017130352	0	43	-1.0	-63.80	368.17	7.49	-56.31
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017130353	0	38	-1.0	-55.27	330.51	5.90	-49.37
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C=C1	REAL300017130354	0	38	-1.0	-47.72	336.30	6.71	-41.01
CCCOC(=O)C1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1	REAL300017130355	0	46	-1.0	-48.39	394.22	8.07	-40.32
CCC(=O)NC1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1	REAL300017130356	0	44	-1.0	-51.02	372.76	5.39	-45.63
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017130357	0	40	-1.0	-58.67	358.22	7.45	-51.22
CCN(CCCC(=O)[O-])S(=O)(=O)N(CC)CC1=CC=CC=C1	REAL300017130358	0	45	-1.0	-47.41	363.56	7.34	-40.07
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC)C(C)=N1	REAL300017130359	0	40	-1.0	-58.64	343.47	5.60	-53.04
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017130360	0	33	-1.0	-47.37	314.72	4.58	-42.79
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017130361	0	40	-1.0	-56.61	335.53	5.42	-51.19
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017130362	0	39	-1.0	-55.18	321.00	5.60	-49.58
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017130363	0	46	-1.0	-56.23	385.70	7.53	-48.70
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017130364	0	34	-1.0	-56.41	304.84	5.72	-50.69
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017130365	0	34	-1.0	-47.03	319.84	6.29	-40.74
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300017130366	0	40	-1.0	-53.99	350.45	7.20	-46.79
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017130367	0	40	-1.0	-55.98	369.04	6.47	-49.51
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300017130368	0	42	-1.0	-50.69	362.39	5.40	-45.29
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017130369	0	37	-1.0	-46.39	345.77	7.10	-39.29
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300017130370	0	38	-1.0	-49.62	335.84	2.67	-46.95
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017130371	0	43	-1.0	-48.82	377.65	8.52	-40.30
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300017130372	0	41	-1.0	-49.66	351.09	5.39	-44.27
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017130373	0	36	-1.0	-48.18	331.61	6.64	-41.54
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1	REAL300017130374	0	43	-1.0	-61.20	395.23	6.90	-54.30
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(=O)OC	REAL300017130375	0	40	-1.0	-54.54	349.23	7.44	-47.10
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017130376	0	37	-1.0	-50.93	332.73	6.89	-44.04
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017130377	0	46	-1.0	-69.21	390.10	4.04	-65.17
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017130378	0	41	-1.0	-56.79	365.15	6.23	-50.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017130379	0	34	-1.0	-46.16	322.74	6.56	-39.60
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017130380	0	42	-1.0	-52.98	365.72	3.08	-49.90
CCOC(=O)C1=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=CC=C1F	REAL300017130411	0	43	-1.0	-54.52	377.22	7.28	-47.24
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017130412	0	42	-1.0	-53.44	359.35	6.52	-46.92
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017130413	0	34	-1.0	-46.69	307.84	6.00	-40.69
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(CC)CCCC(=O)[O-]	REAL300017130414	0	53	-1.0	-64.17	418.09	9.25	-54.92
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017130415	0	37	-1.0	-55.96	346.06	7.33	-48.63
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017130416	0	35	-1.0	-58.30	327.57	6.75	-51.55
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300017130417	0	41	-1.0	-52.93	368.38	5.19	-47.74
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300017130418	0	42	-1.0	-53.65	353.08	6.29	-47.36
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl	REAL300017130419	0	38	-1.0	-49.44	354.86	6.24	-43.20
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CC)CCCC(=O)[O-]	REAL300017130420	0	46	-1.0	-47.18	349.10	8.52	-38.66
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300017130421	0	46	-1.0	-58.64	377.41	4.24	-54.40
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300017130422	0	37	-1.0	-55.04	343.54	5.37	-49.67
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC	REAL300017130423	0	43	-1.0	-54.66	380.63	8.37	-46.29
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017130424	0	45	-1.0	-53.85	401.44	9.03	-44.82
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017130425	0	40	-1.0	-55.07	363.99	6.53	-48.54
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017130426	0	40	-1.0	-55.64	379.37	6.93	-48.71
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300017130427	0	43	-1.0	-59.01	361.57	7.03	-51.98
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017130428	0	36	-1.0	-53.19	342.99	6.83	-46.36
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(F)=C1OC	REAL300017130429	0	38	-1.0	-46.59	348.80	6.47	-40.12
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300017130430	0	46	-1.0	-53.60	372.54	6.19	-47.41
CCOC(=O)N1CCC(S(=O)(=O)N(CC)CCCC(=O)[O-])CC1	REAL300017130431	0	48	-1.0	-59.65	383.14	5.63	-54.02
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300017130432	0	43	-1.0	-56.88	372.39	4.74	-52.14
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017130433	0	33	-1.0	-47.76	323.15	4.72	-43.04
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017130434	0	37	-1.0	-51.34	326.25	6.09	-45.25
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017130435	0	37	-1.0	-54.18	322.10	4.34	-49.84
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCN12	REAL300017130436	0	38	-1.0	-56.51	326.38	5.23	-51.28
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017130437	0	42	-1.0	-51.34	349.71	6.30	-45.04
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300017130438	0	38	-1.0	-48.98	330.91	5.23	-43.75
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21	REAL300017130439	0	43	-1.0	-49.82	375.85	8.21	-41.61
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)OC)C=C1	REAL300017130440	0	43	-1.0	-52.04	373.06	7.12	-44.92
CCN(CCCC(=O)[O-])S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017130441	0	41	-1.0	-48.09	338.54	7.51	-40.58
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300017130442	0	44	-1.0	-51.09	378.62	7.46	-43.63
CCN(CCCC(=O)[O-])S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017130443	0	52	-1.0	-51.50	432.42	7.79	-43.71
CCN(CCCC(=O)[O-])S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017130444	0	52	-1.0	-53.95	433.17	7.76	-46.19
CCN(CCCC(=O)[O-])S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017130445	0	49	-1.0	-58.39	415.86	6.83	-51.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300017130446	0	36	-1.0	-52.30	335.80	6.07	-46.23
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300017130447	0	45	-1.0	-57.54	376.52	6.79	-50.75
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017130448	0	34	-1.0	-57.24	327.76	6.95	-50.29
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017130449	0	34	-1.0	-50.37	332.15	6.74	-43.63
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300017130450	0	44	-1.0	-56.44	353.76	7.22	-49.22
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300017130451	0	38	-1.0	-52.82	335.99	6.57	-46.25
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300017130452	0	40	-1.0	-55.94	355.32	6.37	-49.57
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300017130453	0	38	-1.0	-50.25	337.48	6.16	-44.09
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1C	REAL300017130454	0	41	-1.0	-51.01	333.53	5.44	-45.57
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017130455	0	35	-1.0	-51.89	336.50	6.57	-45.32
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300017130456	0	41	-1.0	-50.77	349.71	6.00	-44.77
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1	REAL300017130457	0	40	-1.0	-53.48	370.39	6.46	-47.02
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1	REAL300017130458	0	41	-1.0	-56.19	356.91	4.69	-51.50
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300017130459	0	42	-1.0	-50.85	368.07	5.60	-45.25
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017130460	0	38	-1.0	-54.20	341.49	5.32	-48.88
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017130461	0	37	-1.0	-51.74	340.35	6.73	-45.01
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300017130462	0	45	-1.0	-57.25	387.88	2.64	-54.61
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=CC=C2S1	REAL300017130463	0	46	-1.0	-48.84	410.62	8.73	-40.11
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017130464	0	38	-1.0	-49.28	338.28	6.83	-42.45
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1Br	REAL300017130465	0	38	-1.0	-56.65	342.39	5.81	-50.84
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017130466	0	39	-1.0	-63.38	352.88	1.25	-62.13
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300017130467	0	40	-1.0	-52.42	339.38	5.23	-47.19
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300017130468	0	40	-1.0	-54.82	341.96	6.93	-47.89
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017130469	0	34	-1.0	-54.27	325.87	6.89	-47.38
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300017130470	0	40	-1.0	-46.79	323.11	7.08	-39.71
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017130471	0	34	-1.0	-45.92	320.12	6.49	-39.43
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2	REAL300017130472	0	44	-1.0	-53.67	371.41	2.87	-50.80
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)S1	REAL300017130473	0	32	-1.0	-45.57	308.95	5.24	-40.33
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017130474	0	35	-1.0	-58.23	319.12	4.23	-54.00
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=CC(OC)=C1	REAL300017130475	0	37	-1.0	-53.35	320.64	3.14	-50.21
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017130476	0	34	-1.0	-55.28	319.15	6.26	-49.02
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300017130477	0	44	-1.0	-55.61	378.09	6.40	-49.21
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017130478	0	38	-1.0	-55.74	347.26	2.96	-52.78
CCOC1=CC=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130479	0	41	-1.0	-52.73	347.39	5.90	-46.83
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017130480	0	45	-1.0	-51.73	371.98	7.11	-44.62
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017130481	0	38	-1.0	-54.36	352.68	6.86	-47.50
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017130519	0	35	-1.0	-58.99	322.18	6.23	-52.76
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300017130520	0	38	-1.0	-49.81	324.96	6.52	-43.29
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1	REAL300017130521	0	48	-1.0	-56.75	394.71	5.91	-50.84
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300017130522	0	42	-1.0	-46.60	369.81	6.80	-39.80
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300017130523	0	39	-1.0	-51.80	340.23	6.86	-44.94
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Br	REAL300017130524	0	37	-1.0	-47.22	325.20	6.66	-40.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300017130525	0	37	-1.0	-50.46	338.07	4.51	-45.95
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300017130526	0	45	-1.0	-60.30	381.22	6.30	-54.00
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017130527	0	36	-1.0	-53.91	328.06	5.15	-48.76
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300017130528	0	44	-1.0	-60.56	363.47	5.90	-54.66
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CS1	REAL300017130529	0	35	-1.0	-49.38	315.65	4.76	-44.62
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300017130530	0	44	-1.0	-65.96	370.92	5.46	-60.50
CCN(CCCC(=O)[O-])S(=O)(=O)CCCC(F)(F)F	REAL300017130531	0	36	-1.0	-60.29	317.55	5.22	-55.07
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017130532	0	39	-1.0	-56.02	342.51	5.78	-50.24
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017130533	0	40	-1.0	-50.95	342.91	3.37	-47.58
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017130534	0	46	-1.0	-55.22	370.24	6.23	-48.99
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017130535	0	36	-1.0	-52.30	330.79	4.90	-47.40
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300017130536	0	37	-1.0	-47.42	322.59	6.59	-40.83
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300017130537	0	42	-1.0	-52.17	348.06	6.20	-45.97
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300017130538	0	36	-1.0	-51.11	326.71	4.86	-46.25
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017130539	0	40	-1.0	-56.44	347.39	4.74	-51.70
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017130540	0	33	-1.0	-52.44	317.45	5.45	-46.99
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017130541	0	43	-1.0	-47.46	369.51	7.34	-40.12
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300017130542	0	38	-1.0	-64.15	333.12	6.62	-57.53
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300017130543	0	42	-1.0	-55.44	355.00	4.28	-51.16
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017130544	0	35	-1.0	-47.85	322.20	6.32	-41.53
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017130545	0	40	-1.0	-60.13	344.26	7.02	-53.11
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300017130546	0	42	-1.0	-54.49	343.08	7.14	-47.35
CCC1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1CC	REAL300017130547	0	46	-1.0	-53.49	373.09	8.24	-45.25
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300017130548	0	42	-1.0	-48.10	344.94	7.67	-40.43
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300017130549	0	37	-1.0	-57.86	327.88	6.96	-50.90
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)OC(C(=O)OC)=C1	REAL300017130550	0	40	-1.0	-54.46	349.55	5.12	-49.34
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)S1	REAL300017130551	0	37	-1.0	-53.78	329.52	6.09	-47.69
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1F	REAL300017130552	0	37	-1.0	-50.82	309.14	6.40	-44.42
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017130553	0	35	-1.0	-52.27	318.27	3.61	-48.66
CCC1=NC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])S1	REAL300017130554	0	36	-1.0	-52.31	326.61	4.24	-48.07
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017130555	0	40	-1.0	-66.23	348.46	7.18	-59.05
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSN=C1C(=O)OC	REAL300017130556	0	36	-1.0	-64.39	333.42	4.54	-59.85
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300017130557	0	36	-1.0	-58.68	332.08	3.97	-54.71
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300017130558	0	40	-1.0	-51.48	343.04	7.01	-44.47
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017130559	0	42	-1.0	-61.81	355.60	4.13	-57.68
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017130560	0	45	-1.0	-48.74	358.97	3.67	-45.07
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)OC)=C1	REAL300017130561	0	41	-1.0	-59.87	357.77	5.77	-54.10
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017130562	0	33	-1.0	-50.87	307.82	4.38	-46.49
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1F	REAL300017130563	0	37	-1.0	-56.24	318.86	6.31	-49.93
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300017130564	0	45	-1.0	-54.30	378.62	7.52	-46.78
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017130565	0	37	-1.0	-49.66	341.20	6.98	-42.68
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017130566	0	37	-1.0	-58.04	341.75	6.99	-51.05
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017130567	0	34	-1.0	-56.79	309.30	6.38	-50.41
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300017130568	0	37	-1.0	-53.10	321.29	6.27	-46.83
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(OC)=C1	REAL300017130569	0	37	-1.0	-51.43	336.92	3.60	-47.83
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017130570	0	38	-1.0	-50.98	345.33	6.86	-44.12
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)N=C1	REAL300017130571	0	39	-1.0	-53.38	346.79	4.50	-48.88
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017130572	0	33	-1.0	-54.20	309.16	4.94	-49.26
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300017130573	0	41	-1.0	-49.00	351.18	5.41	-43.59
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300017130574	0	39	-1.0	-55.06	341.48	6.05	-49.01
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1	REAL300017130575	0	40	-1.0	-54.23	364.98	6.70	-47.53
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017130576	0	37	-1.0	-52.23	332.86	3.43	-48.80
CCOC1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=N1	REAL300017130577	0	40	-1.0	-51.81	345.09	3.25	-48.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017130578	0	43	-1.0	-59.09	381.14	3.88	-55.21
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1	REAL300017130579	0	41	-1.0	-61.17	358.02	4.68	-56.49
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1	REAL300017130580	0	48	-1.0	-67.68	388.99	7.32	-60.36
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017130581	0	37	-1.0	-56.15	318.35	4.33	-51.82
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300017130582	0	40	-1.0	-47.41	352.15	7.55	-39.86
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300017130583	0	44	-1.0	-53.57	381.45	3.17	-50.40
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1	REAL300017130584	0	51	-1.0	-52.22	409.20	7.65	-44.57
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1	REAL300017130585	0	43	-1.0	-53.93	380.96	7.14	-46.79
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300017130586	0	43	-1.0	-47.49	361.67	7.85	-39.64
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017130587	0	37	-1.0	-53.61	321.24	6.61	-47.00
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017130588	0	37	-1.0	-57.53	338.56	7.56	-49.97
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1	REAL300017130589	0	48	-1.0	-63.55	407.56	3.87	-59.68
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130590	0	47	-1.0	-55.91	397.27	7.22	-48.69
CCOC(=O)C1=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=CC=C1C	REAL300017130591	0	46	-1.0	-53.46	388.71	7.78	-45.68
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130592	0	46	-1.0	-51.02	394.84	8.04	-42.98
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC	REAL300017130593	0	45	-1.0	-51.44	388.17	5.52	-45.92
CCOC(=O)C1=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=C(F)C=C1C	REAL300017130594	0	46	-1.0	-49.11	391.15	7.79	-41.32
CCN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017130595	0	40	-1.0	-49.24	357.39	7.73	-41.51
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130596	0	43	-1.0	-51.85	375.13	7.24	-44.61
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017130597	0	44	-1.0	-49.33	370.22	9.09	-40.24
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1	REAL300017130598	0	48	-1.0	-54.47	415.26	3.47	-51.00
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300017130599	0	37	-1.0	-50.60	335.94	7.01	-43.59
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=CN1C	REAL300017130600	0	46	-1.0	-57.78	398.61	6.87	-50.91
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017130601	0	38	-1.0	-56.59	342.16	6.52	-50.07
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017130602	0	37	-1.0	-49.93	328.30	6.55	-43.38
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300017130603	0	36	-1.0	-53.59	325.66	5.17	-48.42
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300017130604	0	37	-1.0	-52.78	340.82	5.20	-47.58
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017130605	0	35	-1.0	-50.92	319.44	4.53	-46.39
CCN(CCCC(=O)[O-])S(=O)(=O)CC(C)(C)C(=O)OC	REAL300017130606	0	42	-1.0	-54.88	341.49	5.51	-49.37
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130607	0	47	-1.0	-62.73	388.16	6.51	-56.22
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1F	REAL300017130608	0	40	-1.0	-55.26	353.24	6.34	-48.92
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC	REAL300017130609	0	45	-1.0	-55.04	390.56	5.19	-49.85
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1	REAL300017130610	0	49	-1.0	-54.60	408.95	8.50	-46.10
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1	REAL300017130611	0	46	-1.0	-57.66	399.77	4.89	-52.77
CCN(CCCC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCC1	REAL300017130612	0	46	-1.0	-49.14	369.84	6.78	-42.36
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300017130613	0	41	-1.0	-54.24	365.27	5.77	-48.47
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300017130614	0	40	-1.0	-51.15	350.45	7.19	-43.96
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017130615	0	45	-1.0	-52.97	401.42	9.04	-43.93
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)OC)=C1	REAL300017130616	0	43	-1.0	-51.09	372.98	7.11	-43.98
CCN(CCCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	REAL300017130617	0	44	-1.0	-46.62	340.07	7.18	-39.44
CCN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017130618	0	40	-1.0	-56.43	356.85	7.66	-48.77
CCN(CCCC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCC1	REAL300017130619	0	43	-1.0	-62.28	353.51	6.10	-56.18
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017130620	0	34	-1.0	-44.70	329.08	5.89	-38.81
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1	REAL300017130621	0	47	-1.0	-57.64	403.32	5.90	-51.74
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130622	0	50	-1.0	-57.31	425.18	6.83	-50.48
CCN(CCCC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCCC1	REAL300017130623	0	49	-1.0	-61.26	376.81	7.81	-53.45
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F	REAL300017130624	0	42	-1.0	-58.70	364.56	6.68	-52.02
CCN(CCCC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017130625	0	36	-1.0	-60.25	320.62	4.57	-55.68
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017130626	0	38	-1.0	-57.54	326.83	5.56	-51.98
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300017130627	0	47	-1.0	-52.57	395.83	9.52	-43.05
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017130628	0	37	-1.0	-47.39	350.69	7.45	-39.94
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017130629	0	37	-1.0	-47.76	341.57	7.05	-40.71
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Br)C=CC(OC)=C1F	REAL300017130630	0	38	-1.0	-58.46	340.79	5.81	-52.65
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=C(C)C=C(C#N)C=C1C	REAL300017130631	0	44	-1.0	-47.38	369.98	8.03	-39.35
CCN(CCCC(=O)[O-])S(=O)(=O)CCC(C)(C)C1CC1	REAL300017130632	0	46	-1.0	-55.81	359.68	7.15	-48.66
CCN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017130633	0	38	-1.0	-54.69	344.40	7.38	-47.31
CCN(CCCC(=O)[O-])S(=O)(=O)CCCC(C)(F)F	REAL300017130634	0	39	-1.0	-61.90	332.03	5.74	-56.16
CCN(CCCC(=O)[O-])S(=O)(=O)CCCC1=CC=CC=C1	REAL300017130635	0	43	-1.0	-57.81	362.15	7.99	-49.82
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300017130637	0	38	-1.0	-56.97	331.22	1.17	-55.80
CCCC1=CC=CC=C1S(=O)(=O)N(CC)CCCC(=O)[O-]	REAL300017130641	0	43	-1.0	-55.47	350.82	8.20	-47.27
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017130642	0	43	-1.0	-50.60	357.52	6.44	-44.16
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)F	REAL300017130643	0	34	-1.0	-61.40	314.66	5.85	-55.55
CCN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017130644	0	40	-1.0	-50.21	347.06	7.29	-42.92
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300017130645	0	50	-1.0	-54.59	406.93	8.33	-46.26
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017130646	0	39	-1.0	-62.58	332.63	6.33	-56.25
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O	REAL300017130647	0	54	-1.0	-59.81	421.47	8.08	-51.73
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CN1C	REAL300017130648	0	41	-1.0	-56.67	359.64	6.02	-50.65
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017130649	0	48	-1.0	-55.23	391.57	5.75	-49.48
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017130650	0	49	-1.0	-57.02	406.69	8.33	-48.69
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C21	REAL300017130651	0	48	-1.0	-57.24	396.83	7.61	-49.63
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017130652	0	41	-1.0	-56.31	343.37	5.23	-51.08
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300017130653	0	41	-1.0	-52.22	340.46	5.42	-46.80
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017130654	0	44	-1.0	-49.72	364.00	6.37	-43.35
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017130662	0	40	-1.0	-53.46	363.43	6.56	-46.90
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017130663	0	40	-1.0	-56.41	346.73	2.91	-53.50
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Br)C=CO1	REAL300017130664	0	31	-1.0	-54.01	300.01	4.45	-49.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300017130665	0	41	-1.0	-55.16	336.10	5.64	-49.52
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300017130666	0	38	-1.0	-49.25	341.93	5.22	-44.03
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C=C1F	REAL300017130667	0	38	-1.0	-49.14	334.21	5.04	-44.10
CCCCCOC1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1C(C)C	REAL300017130668	0	59	-1.0	-52.94	470.47	10.29	-42.65
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300017130669	0	50	-1.0	-51.46	400.44	7.83	-43.63
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300017130670	0	44	-1.0	-50.49	365.78	7.22	-43.27
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)SC=C1C	REAL300017130671	0	37	-1.0	-51.47	310.31	6.08	-45.39
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300017130672	0	42	-1.0	-59.21	346.64	6.24	-52.97
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300017130673	0	42	-1.0	-52.17	365.27	5.32	-46.85
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300017130674	0	42	-1.0	-58.30	364.27	7.88	-50.42
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300017130675	0	38	-1.0	-54.04	330.69	6.30	-47.74
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)SC(C)=C1Br	REAL300017130676	0	37	-1.0	-45.09	331.35	6.75	-38.34
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(C)C=C1Br	REAL300017130677	0	37	-1.0	-53.85	337.68	7.56	-46.29
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C	REAL300017130678	0	51	-1.0	-63.20	406.03	7.77	-55.43
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017130679	0	40	-1.0	-56.19	346.33	6.22	-49.97
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C	REAL300017130680	0	48	-1.0	-56.77	395.59	7.30	-49.47
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSC=C1Cl	REAL300017130681	0	31	-1.0	-45.66	296.12	4.96	-40.70
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=NN1C	REAL300017130682	0	34	-1.0	-49.26	314.80	3.70	-45.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017130683	0	36	-1.0	-50.69	330.21	4.87	-45.82
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300017130684	0	39	-1.0	-62.63	333.40	5.16	-57.47
CCN(CCCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017130685	0	43	-1.0	-46.40	339.62	5.58	-40.82
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017130686	0	38	-1.0	-55.92	348.16	6.16	-49.76
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017130687	0	35	-1.0	-46.25	310.81	4.46	-41.79
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017130688	0	37	-1.0	-52.54	334.75	7.11	-45.43
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017130689	0	38	-1.0	-54.72	348.15	6.15	-48.57
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017130690	0	37	-1.0	-50.55	334.97	5.13	-45.42
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300017130691	0	41	-1.0	-50.49	347.43	5.47	-45.02
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300017130692	0	43	-1.0	-46.14	342.17	7.66	-38.48
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300017130693	0	42	-1.0	-54.71	347.46	5.61	-49.10
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017130694	0	43	-1.0	-61.11	364.33	2.90	-58.21
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300017130695	0	35	-1.0	-53.61	336.53	6.57	-47.04
CCN(CCCC(=O)[O-])S(=O)(=O)C1=COC2=CC=CC=C12	REAL300017130696	0	37	-1.0	-51.81	323.11	5.89	-45.92
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC(OC)=C1OC	REAL300017130697	0	42	-1.0	-56.41	353.68	5.96	-50.45
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1	REAL300017130698	0	37	-1.0	-47.88	355.17	5.08	-42.80
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300017130699	0	47	-1.0	-54.98	380.06	6.50	-48.48
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300017130700	0	38	-1.0	-46.69	343.81	7.45	-39.24
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300017130702	0	41	-1.0	-52.17	347.05	5.44	-46.73
CCN(CCCC(=O)[O-])C(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017130703	0	36	-1.0	-52.77	328.04	9.66	-43.11
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017130704	0	38	-1.0	-55.30	335.26	5.25	-50.05
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017130705	0	38	-1.0	-58.48	348.19	6.17	-52.31
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017130706	0	37	-1.0	-51.07	324.55	4.85	-46.22
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300017130707	0	39	-1.0	-65.12	339.12	4.30	-60.82
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300017130709	0	40	-1.0	-52.64	343.54	7.33	-45.31
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCCC(C)(C)C1	REAL300017130710	0	45	-1.0	-46.05	349.46	6.01	-40.04
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017130711	0	40	-1.0	-52.12	359.96	6.70	-45.42
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017130712	0	37	-1.0	-51.68	325.22	5.95	-45.73
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300017130713	0	44	-1.0	-55.35	363.68	6.00	-49.35
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300017130714	0	52	-1.0	-49.75	407.81	9.68	-40.07
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017130715	0	40	-1.0	-50.93	367.23	7.55	-43.38
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)SC=C1	REAL300017130716	0	31	-1.0	-52.04	289.92	4.81	-47.23
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017130717	0	44	-1.0	-53.96	370.62	6.32	-47.64
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017130718	0	38	-1.0	-48.92	335.27	6.96	-41.96
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017130719	0	45	-1.0	-49.74	389.32	8.61	-41.13
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300017130720	0	47	-1.0	-60.76	385.82	4.08	-56.68
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300017130721	0	43	-1.0	-56.00	359.49	6.95	-49.05
CCCC1=CC=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130722	0	43	-1.0	-48.71	360.41	7.88	-40.83
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=NN1C	REAL300017130723	0	40	-1.0	-55.66	349.06	3.93	-51.73
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300017130724	0	35	-1.0	-50.81	320.56	6.20	-44.61
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300017130725	0	41	-1.0	-50.36	336.02	5.00	-45.36
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017130726	0	38	-1.0	-50.66	352.47	7.02	-43.64
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1	REAL300017130727	0	46	-1.0	-55.91	396.65	8.58	-47.33
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300017130728	0	43	-1.0	-53.28	341.10	5.33	-47.95
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300017130729	0	43	-1.0	-48.44	361.14	5.39	-43.05
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300017130730	0	41	-1.0	-50.50	347.73	4.86	-45.64
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300017130731	0	39	-1.0	-51.64	346.98	5.45	-46.19
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017130732	0	37	-1.0	-51.77	338.61	6.61	-45.16
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CF)C=C1	REAL300017130733	0	37	-1.0	-48.32	324.10	6.50	-41.82
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017130734	0	34	-1.0	-47.05	320.79	6.06	-40.99
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017130735	0	34	-1.0	-50.91	328.02	5.79	-45.12
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC(F)(F)CC1	REAL300017130736	0	39	-1.0	-52.14	325.63	4.97	-47.17
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017130737	0	37	-1.0	-51.29	347.92	7.09	-44.20
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017130738	0	37	-1.0	-59.40	316.59	6.67	-52.73
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130739	0	45	-1.0	-59.61	380.59	7.71	-51.90
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017130740	0	45	-1.0	-54.58	361.36	8.64	-45.94
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300017130741	0	44	-1.0	-62.73	376.24	7.36	-55.37
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017130742	0	40	-1.0	-52.88	355.75	6.64	-46.24
CCN(CCCC(=O)[O-])S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017130743	0	40	-1.0	-52.98	335.76	6.04	-46.94
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300017130744	0	39	-1.0	-52.18	351.25	6.33	-45.85
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017130745	0	43	-1.0	-61.79	370.20	5.60	-56.19
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017130746	0	34	-1.0	-60.49	316.34	5.82	-54.67
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300017130747	0	41	-1.0	-53.89	345.25	7.78	-46.11
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(OC)SC=C1	REAL300017130748	0	35	-1.0	-55.14	316.40	4.32	-50.82
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017130749	0	37	-1.0	-57.59	328.23	7.11	-50.48
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(C)S1	REAL300017130750	0	40	-1.0	-52.68	362.63	6.04	-46.64
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017130751	0	41	-1.0	-54.63	347.76	7.77	-46.86
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017130752	0	44	-1.0	-50.44	364.22	6.36	-44.08
CCC(C)N1N=CC=C1S(=O)(=O)N(CC)CCCC(=O)[O-]	REAL300017130753	0	43	-1.0	-49.67	354.55	5.50	-44.17
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)NC)C=C1	REAL300017130754	0	43	-1.0	-51.97	367.32	3.20	-48.77
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300017130755	0	37	-1.0	-61.83	350.45	2.19	-59.64
CCN(CCCC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300017130756	0	48	-1.0	-53.85	363.54	6.60	-47.25
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C=C1OC	REAL300017130757	0	38	-1.0	-49.62	333.42	5.78	-43.84
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300017130758	0	48	-1.0	-52.00	389.91	4.73	-47.27
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300017130759	0	40	-1.0	-53.77	349.24	7.20	-46.57
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017130760	0	38	-1.0	-51.70	335.28	5.25	-46.45
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017130761	0	49	-1.0	-46.43	390.43	8.27	-38.16
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)S1	REAL300017130762	0	35	-1.0	-48.19	320.30	4.15	-44.04
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300017130763	0	45	-1.0	-53.63	359.91	7.75	-45.88
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017130764	0	42	-1.0	-45.34	351.72	5.78	-39.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CCF)N=C1	REAL300017130765	0	37	-1.0	-52.49	329.36	4.37	-48.12
CCOCC1=CC=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130766	0	44	-1.0	-49.75	372.95	6.36	-43.39
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300017130769	0	44	-1.0	-52.78	371.87	6.88	-45.90
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017130770	0	47	-1.0	-54.20	383.00	6.62	-47.58
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017130771	0	45	-1.0	-53.34	384.70	8.52	-44.82
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CF	REAL300017130772	0	37	-1.0	-60.42	314.10	6.53	-53.89
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300017130773	0	40	-1.0	-51.55	353.72	7.42	-44.13
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)N(CC)N=C1	REAL300017130774	0	37	-1.0	-49.87	333.89	4.50	-45.37
CCN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017130775	0	38	-1.0	-54.66	348.42	7.46	-47.20
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1	REAL300017130776	0	40	-1.0	-53.24	381.52	6.92	-46.32
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017130777	0	34	-1.0	-46.52	324.57	6.54	-39.98
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017130778	0	36	-1.0	-47.81	334.15	4.89	-42.92
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017130779	0	39	-1.0	-51.93	348.67	6.73	-45.20
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017130780	0	39	-1.0	-52.30	349.40	6.78	-45.52
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300017130781	0	43	-1.0	-60.36	355.09	8.64	-51.72
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC(Br)=C1F	REAL300017130782	0	38	-1.0	-58.81	346.29	6.68	-52.13
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017130783	0	41	-1.0	-48.76	354.03	6.06	-42.70
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300017130784	0	48	-1.0	-54.99	400.65	7.20	-47.79
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017130785	0	34	-1.0	-45.88	320.57	6.21	-39.67
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1	REAL300017130786	0	40	-1.0	-65.62	360.23	1.99	-63.63
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300017130787	0	44	-1.0	-51.34	373.09	6.82	-44.52
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017130788	0	40	-1.0	-48.92	370.46	3.14	-45.78
CCN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017130789	0	38	-1.0	-47.40	336.57	7.02	-40.38
CCN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017130790	0	38	-1.0	-47.81	351.45	7.56	-40.25
CCN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017130791	0	38	-1.0	-47.11	351.45	7.57	-39.54
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017130792	0	38	-1.0	-53.66	340.34	7.01	-46.65
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCCCC1C(=O)OC	REAL300017130793	0	45	-1.0	-56.89	350.44	6.08	-50.81
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300017130794	0	56	-1.0	-53.64	425.61	9.85	-43.79
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300017130795	0	37	-1.0	-55.26	341.46	6.49	-48.77
CCN(CCCC(=O)[O-])S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300017130796	0	45	-1.0	-49.47	373.86	6.77	-42.70
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C=CC(=O)OC)C=C1	REAL300017130797	0	44	-1.0	-50.06	382.76	7.58	-42.48
CCOC(=O)C1=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=NN1	REAL300017130798	0	40	-1.0	-54.39	358.61	3.56	-50.83
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300017130799	0	39	-1.0	-58.03	345.33	3.67	-54.36
CCN(CCCC(=O)[O-])C(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300017130800	0	51	-1.0	-55.92	350.24	9.58	-46.34
CCN(CCCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017130801	0	46	-1.0	-52.85	354.02	6.08	-46.77
CCN(CCCC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300017130802	0	45	-1.0	-55.28	373.04	7.46	-47.82
CCN(CCCC(=O)[O-])C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017130803	0	45	-1.0	-55.62	349.36	11.62	-44.00
CCN(CCCC(=O)[O-])C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017130804	0	51	-1.0	-56.07	383.96	11.26	-44.81
CCN(CCCC(=O)[O-])C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	REAL300017130805	0	52	-1.0	-56.19	386.87	7.90	-48.29
CCN(CCCC(=O)[O-])C(=O)N1CCC(C(=O)OC)CC1	REAL300017130806	0	44	-1.0	-57.14	338.95	7.82	-49.32
CCN(CCCC(=O)[O-])C(=O)N(C)C1CCS(=O)(=O)C1	REAL300017130807	0	41	-1.0	-62.26	325.88	3.71	-58.55
CCN(CCCC(=O)[O-])C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300017130808	0	53	-1.0	-57.39	400.82	8.65	-48.74
CCN(CCCC(=O)[O-])C(=O)N1CCOC(C(=O)OC)C1	REAL300017130809	0	42	-1.0	-57.47	332.15	6.05	-51.42
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC(Br)=C1OC	REAL300017130810	0	38	-1.0	-53.03	344.90	6.88	-46.15
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017130811	0	38	-1.0	-53.61	341.29	6.68	-46.93
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017130812	0	38	-1.0	-55.70	341.50	5.32	-50.38
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300017130813	0	40	-1.0	-53.42	337.07	5.53	-47.89
CCN(CCCC(=O)[O-])C(=O)N1CCC(OC(C)=O)CC1	REAL300017130814	0	44	-1.0	-57.49	340.12	8.06	-49.43
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300017130815	0	41	-1.0	-57.27	349.74	7.45	-49.82
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017130816	0	37	-1.0	-61.41	323.70	6.93	-54.48
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017130817	0	43	-1.0	-47.01	374.88	6.16	-40.85
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017130818	0	31	-1.0	-49.15	321.58	5.80	-43.35
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300017130819	0	34	-1.0	-49.56	312.10	3.63	-45.93
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300017130820	0	47	-1.0	-55.96	383.66	7.97	-47.99
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C	REAL300017130821	0	51	-1.0	-54.62	414.36	7.59	-47.03
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017130822	0	37	-1.0	-53.35	351.42	7.05	-46.30
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017130823	0	39	-1.0	-53.86	348.77	6.36	-47.50
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC[C@H]1C(=O)OC	REAL300017130824	0	42	-1.0	-62.46	347.04	5.39	-57.07
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017130825	0	45	-1.0	-48.85	386.44	8.59	-40.26
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300017130826	0	40	-1.0	-64.35	336.34	7.48	-56.87
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017130827	0	39	-1.0	-46.99	350.91	4.26	-42.73
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017130828	0	35	-1.0	-53.78	331.82	4.90	-48.88
CCN(CCCC(=O)[O-])C(=O)N1CCCC(OC(C)=O)C1	REAL300017130829	0	44	-1.0	-63.98	341.20	7.90	-56.08
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1COC	REAL300017130830	0	38	-1.0	-51.49	327.45	1.83	-49.66
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300017130831	0	36	-1.0	-49.56	316.96	4.81	-44.75
C=C(C)COC1=CC=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130832	0	45	-1.0	-53.62	379.69	7.30	-46.32
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300017130833	0	44	-1.0	-51.86	368.59	6.30	-45.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300017130834	0	38	-1.0	-48.67	326.88	4.74	-43.93
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017130835	0	40	-1.0	-53.13	358.61	8.45	-44.68
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC(OC(C)=O)C1	REAL300017130836	0	42	-1.0	-57.23	353.26	4.72	-52.51
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017130837	0	44	-1.0	-48.95	386.94	9.61	-39.34
CCC1=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=CC=C1Br	REAL300017130838	0	40	-1.0	-51.24	355.06	7.55	-43.69
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300017130839	0	47	-1.0	-51.92	376.59	6.68	-45.24
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CS1	REAL300017130840	0	31	-1.0	-47.14	305.32	5.21	-41.93
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300017130841	0	48	-1.0	-50.90	397.32	6.15	-44.75
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017130842	0	40	-1.0	-50.66	354.77	8.64	-42.02
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300017130843	0	42	-1.0	-51.62	341.10	3.19	-48.43
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300017130844	0	41	-1.0	-54.61	330.34	7.39	-47.22
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC(C)(C)CC1	REAL300017130845	0	45	-1.0	-45.80	348.58	5.77	-40.03
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC(COC(C)=O)CC1	REAL300017130846	0	48	-1.0	-49.54	390.14	6.39	-43.15
CCN(CCCC(=O)[O-])S(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC	REAL300017130847	0	48	-1.0	-66.21	406.21	6.09	-60.12
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017130848	0	44	-1.0	-55.97	355.93	3.38	-52.59
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)N=C1C	REAL300017130849	0	40	-1.0	-48.95	339.86	3.18	-45.77
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300017130850	0	40	-1.0	-55.58	340.00	3.67	-51.91
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017130851	0	49	-1.0	-51.16	397.99	6.07	-45.09
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300017130852	0	37	-1.0	-52.65	335.30	3.51	-49.14
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300017130853	0	40	-1.0	-50.98	343.37	3.05	-47.93
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300017130854	0	43	-1.0	-55.64	364.02	5.77	-49.87
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300017130855	0	43	-1.0	-57.53	363.96	5.47	-52.06
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017130856	0	33	-1.0	-45.34	323.65	3.69	-41.65
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C#N)C=CS1	REAL300017130857	0	32	-1.0	-61.37	304.27	5.02	-56.35
CCN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017130858	0	38	-1.0	-53.01	361.12	7.89	-45.12
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)C	REAL300017130859	0	40	-1.0	-49.52	335.91	4.81	-44.71
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1	REAL300017130860	0	42	-1.0	-52.38	362.83	4.99	-47.39
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300017130861	0	37	-1.0	-54.97	336.93	7.77	-47.20
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300017130862	0	41	-1.0	-51.50	343.13	5.87	-45.63
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017130863	0	41	-1.0	-50.87	350.89	6.94	-43.93
CCN(CCCC(=O)[O-])S(=O)(=O)CC1=CC(OC)=NO1	REAL300017130864	0	37	-1.0	-50.33	327.09	2.01	-48.32
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC2=CC=CN=C21	REAL300017130865	0	39	-1.0	-50.33	328.27	5.98	-44.35
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300017130866	0	43	-1.0	-56.69	351.49	5.32	-51.37
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017130867	0	41	-1.0	-48.54	355.88	7.87	-40.67
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017130868	0	36	-1.0	-52.76	323.40	4.71	-48.05
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300017130869	0	48	-1.0	-53.74	405.60	9.24	-44.50
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017130870	0	41	-1.0	-56.03	357.54	7.91	-48.12
CCN(CCCC(=O)[O-])C(=O)N1CCC(C(F)(F)F)CC1	REAL300017130871	0	41	-1.0	-55.13	321.79	8.09	-47.04
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017130872	0	38	-1.0	-55.92	343.59	6.06	-49.86
CCN(CCCC(=O)[O-])C(=O)N1CC=C(Br)CC1	REAL300017130873	0	36	-1.0	-53.59	296.11	7.60	-45.99
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017130874	0	37	-1.0	-50.76	330.72	6.54	-44.22
CCN(CCCC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300017130875	0	42	-1.0	-63.98	352.39	1.44	-62.54
CCN(CCCC(=O)[O-])S(=O)(=O)N1CC2CCC(C1)O2	REAL300017130876	0	41	-1.0	-47.59	327.70	3.81	-43.78
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC(C#N)CC1	REAL300017130877	0	40	-1.0	-47.49	333.21	5.09	-42.40
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017130879	0	41	-1.0	-54.84	340.33	7.46	-47.38
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl	REAL300017130880	0	37	-1.0	-47.95	343.29	7.43	-40.52
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017130881	0	38	-1.0	-51.63	344.51	5.46	-46.17
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017130882	0	41	-1.0	-53.84	360.82	6.64	-47.20
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300017130883	0	41	-1.0	-63.00	346.27	6.23	-56.77
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300017130884	0	40	-1.0	-52.36	357.68	4.02	-48.34
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300017130885	0	42	-1.0	-54.83	350.25	7.38	-47.45
CCN(CCCC(=O)[O-])C(=O)N1CC(OCC2=CC=CC=C2)C1	REAL300017130886	0	46	-1.0	-48.61	367.27	8.60	-40.01
CCN(CCCC(=O)[O-])C(=O)N1CC(NC(=O)OC(C)(C)C)C1	REAL300017130887	0	49	-1.0	-55.56	382.04	5.64	-49.92
CCN(CCCC(=O)[O-])C(=O)N1CCC(COC(C)=O)CC1	REAL300017130888	0	47	-1.0	-58.88	362.93	8.63	-50.25
CCN(CCCC(=O)[O-])C(=O)N1CCCC(C(=O)OC)C1	REAL300017130889	0	44	-1.0	-56.60	340.12	7.66	-48.94
CCN(CCCC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300017130890	0	37	-1.0	-45.20	326.99	5.34	-39.86
CCN(CCCC(=O)[O-])S(=O)(=O)N1CCC(F)(F)C1	REAL300017130892	0	36	-1.0	-50.29	310.94	4.08	-46.21
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300017130893	0	47	-1.0	-50.64	380.80	7.81	-42.83
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300017130894	0	34	-1.0	-47.53	315.96	5.90	-41.63
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017130895	0	41	-1.0	-56.32	365.84	6.55	-49.77
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C2CCCCN2N=C1	REAL300017130896	0	41	-1.0	-54.60	336.45	4.83	-49.77
CC1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1	REAL300017130901	0	37	-1.0	-53.73	323.78	7.15	-46.58
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C1	REAL300017130902	0	34	-1.0	-51.51	325.55	7.05	-44.46
O=C([O-])C#CC1CCCN(C(=O)OCC2C3=CC=CC=C3C3=CC=CC=C32)C1	REAL300017130920	0	48	-1.0	-55.05	402.14	13.46	-41.59
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1	REAL300017130921	0	39	-1.0	-59.63	356.64	1.43	-58.20
N#CC1=CC=CC=C1CS(=O)(=O)N1CCCC(C#CC(=O)[O-])C1	REAL300017130922	0	38	-1.0	-63.28	344.51	7.43	-55.85
CC1=CC(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300017130923	0	42	-1.0	-53.20	366.01	8.28	-44.92
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)=C1C	REAL300017130924	0	42	-1.0	-52.51	354.82	8.06	-44.45
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300017130925	0	40	-1.0	-55.12	346.90	5.62	-49.50
O=C([O-])C#CC1CCCN(S(=O)(=O)C=CC2=CC=CC=C2)C1	REAL300017130926	0	38	-1.0	-54.36	334.28	7.66	-46.70
CN1C=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C(=O)N(C)C1=O	REAL300017130927	0	40	-1.0	-56.72	348.47	5.27	-51.45
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCC(C#CC(=O)[O-])C1	REAL300017130928	0	40	-1.0	-54.00	338.09	5.49	-48.51
CC1=NNC(C)=C1S(=O)(=O)N1CCCC(C#CC(=O)[O-])C1	REAL300017130929	0	37	-1.0	-53.04	316.56	4.24	-48.80
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C1	REAL300017130930	0	37	-1.0	-60.39	334.12	3.96	-56.43
O=C([O-])C#CC1CCCN(S(=O)(=O)CC2=CC=CC=C2)C1	REAL300017130931	0	37	-1.0	-56.72	326.65	7.20	-49.52
COC1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1	REAL300017130932	0	38	-1.0	-54.54	331.87	5.77	-48.77
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300017130933	0	36	-1.0	-64.80	322.99	8.27	-56.53
CCOC1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1	REAL300017130934	0	41	-1.0	-54.37	353.75	6.70	-47.67
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(F)C=C2F)C1	REAL300017130935	0	34	-1.0	-51.21	311.22	6.46	-44.75
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(F)C=C2)C1	REAL300017130936	0	34	-1.0	-52.57	308.78	6.55	-46.02
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=CC(F)=C2)C1	REAL300017130937	0	34	-1.0	-52.36	308.82	6.53	-45.83
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)=C1C	REAL300017130938	0	46	-1.0	-53.08	359.53	8.94	-44.14
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C(C)=C1	REAL300017130939	0	43	-1.0	-52.87	345.91	8.43	-44.44
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC(C#CC(=O)[O-])C1	REAL300017130940	0	49	-1.0	-54.86	385.04	9.14	-45.72
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C1	REAL300017130941	0	34	-1.0	-51.24	334.29	7.46	-43.78
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(F)C(F)=C2)C1	REAL300017130942	0	34	-1.0	-51.82	315.08	6.59	-45.23
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C1	REAL300017130943	0	34	-1.0	-52.19	323.19	7.12	-45.07
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300017130944	0	37	-1.0	-52.25	341.48	7.48	-44.77
CC1=CC=CC(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)=C1	REAL300017130945	0	37	-1.0	-53.68	323.81	7.13	-46.55
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300017130946	0	37	-1.0	-57.98	330.78	7.94	-50.04
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=CC=C2F)C1	REAL300017130947	0	34	-1.0	-53.69	304.80	6.41	-47.28
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300017130948	0	37	-1.0	-51.36	354.31	7.89	-43.47
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300017130949	0	34	-1.0	-52.03	319.14	6.99	-45.04
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C1	REAL300017130950	0	37	-1.0	-53.05	345.19	7.62	-45.43
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1	REAL300017130951	0	39	-1.0	-58.83	343.62	6.88	-51.95
CC1=CC=C(C)C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)=C1	REAL300017130952	0	40	-1.0	-54.58	327.77	7.39	-47.19
CC1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1C	REAL300017130953	0	40	-1.0	-54.04	340.83	7.67	-46.37
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C1	REAL300017130954	0	38	-1.0	-52.17	350.67	6.21	-45.96
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)=C1	REAL300017130955	0	43	-1.0	-53.30	395.80	8.56	-44.74
O=C([O-])C#CC1CCCN(S(=O)(=O)CCC2CCOCC2)C1	REAL300017130957	0	44	-1.0	-55.29	359.61	5.76	-49.53
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)S1	REAL300017130958	0	37	-1.0	-52.13	332.00	7.09	-45.04
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300017130959	0	43	-1.0	-54.49	367.25	8.06	-46.43
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C1	REAL300017130960	0	35	-1.0	-52.50	335.25	5.76	-46.74
O=C([O-])C#CC1CCCN(S(=O)(=O)CC2=CC=C(C(F)F)C=C2)C1	REAL300017130961	0	40	-1.0	-57.36	358.33	8.06	-49.30
CN1C=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300017130962	0	37	-1.0	-54.36	334.50	4.99	-49.37
CC1=CC=CC(C)=C1CS(=O)(=O)N1CCCC(C#CC(=O)[O-])C1	REAL300017130963	0	43	-1.0	-55.03	356.30	8.41	-46.62
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300017130964	0	36	-1.0	-56.51	345.57	8.87	-47.64
COC(=O)C1=CC(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)=C(F)C=C1C	REAL300017130965	0	43	-1.0	-53.77	375.60	7.60	-46.17
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=C(F)C=CS2)C1	REAL300017130966	0	31	-1.0	-56.09	299.00	5.60	-50.49
O=C([O-])C#CC1CCCN(S(=O)(=O)CCC2CCOC2)C1	REAL300017130967	0	41	-1.0	-56.92	341.73	4.98	-51.94
CC1=CC2=CC(S(=O)(=O)N3CCCC(C#CC(=O)[O-])C3)=CC=C2N=C1Cl	REAL300017130968	0	42	-1.0	-57.30	378.89	7.86	-49.44
COC(CS(=O)(=O)N1CCCC(C#CC(=O)[O-])C1)C1=CC=CC=C1	REAL300017130969	0	44	-1.0	-59.53	367.05	7.65	-51.88
O=C([O-])C#CC1CCCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300017130970	0	43	-1.0	-53.85	355.42	7.65	-46.20
O=C([O-])C#CC1CCCN(S(=O)(=O)CCOCC2=CC=CC=C2)C1	REAL300017130971	0	44	-1.0	-55.50	381.66	7.24	-48.26
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C1	REAL300017130972	0	39	-1.0	-55.92	353.26	7.80	-48.12
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1	REAL300017130973	0	46	-1.0	-58.88	402.80	8.77	-50.11
O=C([O-])C#CC1CCCN(S(=O)(=O)CC2CC(F)(F)C2)C1	REAL300017130974	0	37	-1.0	-56.43	327.69	6.43	-50.00
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)=C1	REAL300017130975	0	41	-1.0	-53.21	370.97	6.78	-46.43
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300017130976	0	41	-1.0	-53.44	351.60	8.58	-44.86
COC1=CC=C2C=C(S(=O)(=O)N3CCCC(C#CC(=O)[O-])C3)CCC2=C1	REAL300017130977	0	46	-1.0	-55.69	386.90	8.15	-47.54
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(OC3CC3)C=C2)C1	REAL300017130978	0	42	-1.0	-54.76	362.94	7.44	-47.32
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2)C1	REAL300017130979	0	34	-1.0	-51.34	324.97	7.05	-44.29
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)=C1	REAL300017130980	0	39	-1.0	-57.82	343.69	6.87	-50.95
CC1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C(C)=C1	REAL300017130981	0	40	-1.0	-52.91	330.96	7.52	-45.39
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C1	REAL300017130982	0	34	-1.0	-52.06	323.11	7.12	-44.94
COC1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017130983	0	40	-1.0	-55.71	357.90	7.21	-48.50
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1	REAL300017130984	0	46	-1.0	-53.27	378.58	8.79	-44.48
CC(C)C1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1	REAL300017130985	0	43	-1.0	-53.27	362.61	8.40	-44.87
CCC(C)C1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1	REAL300017130986	0	46	-1.0	-53.17	381.05	9.05	-44.12
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C1	REAL300017130987	0	34	-1.0	-54.41	321.64	7.61	-46.80
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300017130988	0	31	-1.0	-50.97	311.40	6.09	-44.88
CCCC1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1	REAL300017130989	0	43	-1.0	-53.35	366.80	8.69	-44.66
COC1=CC=CC=C1S(=O)(=O)N1CCCC(C#CC(=O)[O-])C1	REAL300017130990	0	38	-1.0	-55.68	326.92	6.28	-49.40
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCCC(C#CC(=O)[O-])C1	REAL300017130991	0	45	-1.0	-66.60	381.76	5.20	-61.40
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(F)C(F)=C2F)C1	REAL300017130992	0	34	-1.0	-51.53	317.41	6.53	-45.00
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300017130993	0	34	-1.0	-51.73	336.32	7.48	-44.25
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=CC=C2Cl)C1	REAL300017130994	0	34	-1.0	-53.11	307.84	6.66	-46.45
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300017130995	0	34	-1.0	-51.94	323.71	7.09	-44.85
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=C(F)C=CC=C2F)C1	REAL300017130996	0	34	-1.0	-56.82	311.42	6.72	-50.10
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(Cl)N=C2)C1	REAL300017130997	0	33	-1.0	-52.36	314.27	5.11	-47.25
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2F)C1	REAL300017131000	0	34	-1.0	-51.10	321.55	6.92	-44.18
CC1=CC=C(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300017144825	0	38	-1.0	-65.38	320.60	6.96	-58.42
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300017144826	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	REAL300017144827	0	38	-1.0	-54.25	332.96	6.11	-48.14
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017144828	0	44	-1.0	-60.50	351.80	6.80	-53.70
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017144829	0	50	-1.0	-59.78	354.13	7.00	-52.78
CC1=NC2=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=CC=C2C=C1	REAL300017144830	0	40	-1.0	-70.30	329.22	7.20	-63.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017144831	0	40	-1.0	-68.13	337.05	7.49	-60.64
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017144832	0	43	-1.0	-59.77	346.39	3.95	-55.82
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144833	0	46	-1.0	-66.61	389.72	6.81	-59.80
CCCN1C=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017144834	0	38	-1.0	-68.38	318.91	6.45	-61.93
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017144835	0	33	-1.0	-41.54	310.24	5.66	-35.88
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C#N)SC=C1	REAL300017144836	0	30	-1.0	-44.43	272.88	3.97	-40.46
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCC(F)CC1	REAL300017144837	0	41	-1.0	-64.38	319.29	6.73	-57.65
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1Cl	REAL300017144838	0	35	-1.0	-56.67	302.90	6.47	-50.20
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017144839	0	38	-1.0	-70.95	315.57	6.35	-64.60
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)=N1	REAL300017144840	0	41	-1.0	-60.27	353.66	6.84	-53.43
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1F	REAL300017144841	0	38	-1.0	-45.70	339.70	5.90	-39.80
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017144842	0	41	-1.0	-52.27	344.49	6.09	-46.18
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144843	0	38	-1.0	-63.75	328.80	7.47	-56.28
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017144844	0	35	-1.0	-61.33	313.74	6.78	-54.55
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017144845	0	32	-1.0	-54.56	305.51	6.50	-48.06
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017144846	0	39	-1.0	-72.40	323.34	2.81	-69.59
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017144847	0	57	-1.0	-59.23	451.25	10.39	-48.84
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017144848	0	47	-1.0	-64.31	380.80	7.79	-56.52
CCC1CCN(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300017144849	0	43	-1.0	-60.01	324.27	5.78	-54.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017144850	0	38	-1.0	-61.27	321.76	7.10	-54.17
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300017144851	0	38	-1.0	-63.66	322.95	7.12	-56.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017144852	0	38	-1.0	-62.84	331.25	7.50	-55.34
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144853	0	36	-1.0	-47.86	319.22	5.33	-42.53
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])C(=O)NCCC2	REAL300017144854	0	47	-1.0	-62.07	368.20	3.73	-58.34
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])S2)C1	REAL300017144855	0	43	-1.0	-65.02	359.22	5.92	-59.10
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017144856	0	39	-1.0	-61.17	338.95	7.74	-53.43
COC1CCN(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300017144857	0	41	-1.0	-61.37	317.53	3.52	-57.85
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017144858	0	35	-1.0	-60.40	316.40	6.86	-53.54
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017144859	0	45	-1.0	-60.23	357.56	7.04	-53.19
CC(CC(F)(F)F)CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144860	0	37	-1.0	-66.58	307.89	5.73	-60.85
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017144861	0	39	-1.0	-49.08	323.95	6.46	-42.62
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=C2)=N1	REAL300017144862	0	44	-1.0	-62.88	365.34	5.40	-57.48
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144863	0	36	-1.0	-46.30	297.91	4.70	-41.60
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])O1	REAL300017144864	0	38	-1.0	-44.44	320.38	4.13	-40.31
CCC1=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN1CC1CC1	REAL300017144865	0	45	-1.0	-65.22	368.32	7.95	-57.27
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2C1	REAL300017144866	0	43	-1.0	-64.65	351.29	5.88	-58.77
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017144867	0	35	-1.0	-57.47	309.20	4.99	-52.48
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017144868	0	35	-1.0	-71.28	319.82	5.27	-66.01
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(C)C	REAL300017144869	0	51	-1.0	-59.77	398.85	8.42	-51.35
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017144870	0	40	-1.0	-64.88	335.84	7.87	-57.01
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144871	0	39	-1.0	-56.50	308.56	5.02	-51.48
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017144872	0	45	-1.0	-56.37	368.00	7.71	-48.66
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017144873	0	46	-1.0	-61.93	384.94	8.72	-53.21
COC(CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300017144874	0	42	-1.0	-46.04	348.38	6.13	-39.91
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017144875	0	44	-1.0	-61.54	351.34	6.83	-54.71
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300017144876	0	40	-1.0	-57.93	349.34	4.26	-53.67
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=CC=C12	REAL300017144877	0	44	-1.0	-61.94	355.23	8.05	-53.89
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300017144878	0	43	-1.0	-63.74	352.15	4.46	-59.28
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017144879	0	41	-1.0	-59.55	318.52	6.69	-52.86
CCOC1(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CCOCC1	REAL300017144880	0	46	-1.0	-64.90	347.72	4.23	-60.67
CCOC(CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])C1CC1	REAL300017144881	0	42	-1.0	-64.39	335.95	6.21	-58.18
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1F	REAL300017144882	0	38	-1.0	-45.90	329.37	5.46	-40.44
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=C(Cl)C=C21	REAL300017144883	0	43	-1.0	-54.20	353.05	6.18	-48.02
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144884	0	35	-1.0	-52.34	308.63	4.01	-48.33
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017144885	0	43	-1.0	-59.56	368.12	9.48	-50.08
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144886	0	35	-1.0	-56.07	314.72	6.97	-49.10
CC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1Br	REAL300017144887	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-]	REAL300017144888	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	REAL300017144889	0	40	-1.0	-60.21	328.09	3.18	-57.03
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017144890	0	36	-1.0	-58.16	318.16	5.29	-52.87
COC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017144891	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-]	REAL300017144892	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	REAL300017144893	0	39	-1.0	-43.42	322.75	2.23	-41.19
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144894	0	45	-1.0	-52.49	354.04	6.17	-46.32
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017144895	0	39	-1.0	-62.28	331.81	5.91	-56.37
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300017144896	0	59	-1.0	-57.45	450.94	9.75	-47.70
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017144897	0	40	-1.0	-63.25	343.57	7.71	-55.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017144898	0	32	-1.0	-56.39	294.41	6.02	-50.37
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017144899	0	35	-1.0	-65.01	305.60	6.36	-58.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017144900	0	39	-1.0	-71.72	332.17	3.25	-68.47
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300017144901	0	41	-1.0	-58.21	343.36	6.33	-51.88
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144902	0	35	-1.0	-63.05	305.36	6.84	-56.21
COCC1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144903	0	39	-1.0	-63.56	318.71	5.58	-57.98
COC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1Br	REAL300017144904	0	36	-1.0	-56.01	317.37	5.33	-50.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017144905	0	35	-1.0	-56.37	330.51	1.69	-54.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017144906	0	35	-1.0	-63.92	313.15	4.47	-59.45
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C2O1	REAL300017144907	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	REAL300017144908	0	40	-1.0	-61.43	346.36	2.14	-59.29
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300017144909	0	43	-1.0	-60.26	367.82	3.03	-57.23
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1OC	REAL300017144910	0	49	-1.0	-66.90	398.50	4.51	-62.39
CCC1=CC=C(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017144911	0	41	-1.0	-63.75	336.86	7.69	-56.06
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017144912	0	36	-1.0	-50.73	304.62	4.41	-46.32
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017144913	0	47	-1.0	-58.12	381.20	5.80	-52.32
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017144914	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	REAL300017144915	0	34	-1.0	-55.50	315.72	5.27	-50.23
CC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1Br	REAL300017144916	0	37	-1.0	-55.01	324.22	6.39	-48.62
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017144917	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	REAL300017144918	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	REAL300017144919	0	39	-1.0	-56.76	339.22	6.26	-50.50
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017144920	0	46	-1.0	-67.99	389.51	5.00	-62.99
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017144921	0	35	-1.0	-66.23	304.52	6.31	-59.92
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017144922	0	45	-1.0	-59.56	377.93	7.30	-52.26
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCOC(C)(C)C1	REAL300017144923	0	41	-1.0	-58.33	305.38	3.24	-55.09
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300017144924	0	42	-1.0	-59.48	341.61	6.23	-53.25
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017144925	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	REAL300017144926	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	REAL300017144927	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	REAL300017144928	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	REAL300017144929	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	REAL300017144930	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	REAL300017144931	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	REAL300017144932	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	REAL300017144933	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	REAL300017144934	0	43	-1.0	-61.79	355.89	4.95	-56.84
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300017144935	0	46	-1.0	-61.00	372.51	5.61	-55.39
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300017144936	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	REAL300017144937	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	REAL300017144938	0	47	-1.0	-60.23	372.45	4.85	-55.38
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017144939	0	42	-1.0	-65.31	340.06	5.20	-60.11
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(Br)=C1	REAL300017144940	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	REAL300017144941	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-]	REAL300017144942	0	38	-1.0	-72.52	334.47	7.48	-65.04
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017144943	0	33	-1.0	-54.21	303.64	6.18	-48.03
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144944	0	35	-1.0	-46.12	296.51	5.84	-40.28
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300017144945	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	REAL300017144946	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-]	REAL300017144947	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	REAL300017144948	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	REAL300017144949	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	REAL300017144950	0	48	-1.0	-58.88	380.10	7.12	-51.76
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017144951	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	REAL300017144952	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	REAL300017144953	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	REAL300017144954	0	35	-1.0	-58.94	311.35	4.37	-54.57
CC1=NC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300017144955	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-]	REAL300017144956	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	REAL300017144957	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	REAL300017144958	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	REAL300017144959	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	REAL300017144960	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	REAL300017144961	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	REAL300017144962	0	42	-1.0	-63.66	364.78	4.95	-58.71
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017144963	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-]	REAL300017144964	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	REAL300017144965	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	REAL300017144966	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-]	REAL300017144967	0	34	-1.0	-53.49	309.70	7.40	-46.09
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017144968	0	40	-1.0	-57.43	325.06	6.41	-51.02
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017144969	0	35	-1.0	-64.13	306.88	6.23	-57.90
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(N)=O	REAL300017144970	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-]	REAL300017144971	0	35	-1.0	-46.08	291.95	5.73	-40.35
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144972	0	43	-1.0	-70.90	341.78	5.86	-65.04
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN1C	REAL300017144973	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	REAL300017144974	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	REAL300017144975	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	REAL300017144976	0	41	-1.0	-65.58	348.78	6.91	-58.67
COC(=O)C1CCN(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300017144977	0	43	-1.0	-63.68	339.87	5.15	-58.53
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017144978	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	REAL300017144979	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	REAL300017144980	0	38	-1.0	-58.95	333.21	5.29	-53.66
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017144981	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	REAL300017144982	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	REAL300017144983	0	36	-1.0	-64.04	308.64	5.79	-58.25
CCOC(=O)CCCS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144984	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	REAL300017144985	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-]	REAL300017144986	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-]	REAL300017144987	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	REAL300017144988	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	REAL300017144989	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	REAL300017144990	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	REAL300017144991	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	REAL300017144992	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	REAL300017144993	0	40	-1.0	-46.87	329.85	3.96	-42.91
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017144994	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	REAL300017144995	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	REAL300017144996	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-]	REAL300017144997	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	REAL300017144998	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-]	REAL300017144999	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	REAL300017145000	0	34	-1.0	-52.48	302.05	6.11	-46.37
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017145122	0	35	-1.0	-67.36	301.70	6.31	-61.05
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017145123	0	35	-1.0	-54.83	323.21	6.91	-47.92
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017145124	0	35	-1.0	-42.46	308.81	5.78	-36.68
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145125	0	35	-1.0	-57.01	310.19	6.65	-50.36
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145126	0	43	-1.0	-75.50	344.51	3.84	-71.66
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145127	0	36	-1.0	-51.75	295.69	5.51	-46.24
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145128	0	43	-1.0	-71.55	345.50	5.27	-66.28
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017145129	0	44	-1.0	-50.11	348.71	4.20	-45.91
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017145130	0	38	-1.0	-52.34	330.89	6.20	-46.14
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017145131	0	42	-1.0	-54.62	358.17	4.72	-49.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017145132	0	43	-1.0	-68.25	366.30	7.18	-61.07
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(OC)=C1	REAL300017145133	0	42	-1.0	-48.06	346.17	5.30	-42.76
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145134	0	35	-1.0	-56.24	314.72	6.98	-49.26
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017145135	0	40	-1.0	-58.48	331.98	7.49	-50.99
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017145136	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	REAL300017145137	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	REAL300017145138	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	REAL300017145139	0	37	-1.0	-60.67	315.72	5.54	-55.13
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(F)=C1	REAL300017145140	0	36	-1.0	-62.34	305.88	4.95	-57.39
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1	REAL300017145141	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	REAL300017145142	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-]	REAL300017145143	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	REAL300017145144	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	REAL300017145145	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	REAL300017145146	0	44	-1.0	-56.95	365.54	7.75	-49.20
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017145147	0	42	-1.0	-65.34	346.85	5.15	-60.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017145148	0	38	-1.0	-66.50	334.73	7.29	-59.21
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145149	0	43	-1.0	-63.34	343.21	7.04	-56.30
CCN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])N=C1C	REAL300017145150	0	38	-1.0	-63.96	314.78	5.23	-58.73
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017145151	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	REAL300017145152	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	REAL300017145153	0	37	-1.0	-51.46	296.24	4.87	-46.59
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017145154	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	REAL300017145155	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	REAL300017145156	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	REAL300017145157	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	REAL300017145158	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	REAL300017145159	0	40	-1.0	-56.16	333.83	5.09	-51.07
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017145160	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	REAL300017145161	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	REAL300017145162	0	41	-1.0	-62.50	349.16	8.24	-54.26
COCC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145163	0	39	-1.0	-63.33	322.60	5.10	-58.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017145164	0	34	-1.0	-49.26	303.49	5.80	-43.46
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300017145165	0	41	-1.0	-52.30	355.20	5.53	-46.77
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145166	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	REAL300017145167	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	REAL300017145168	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	REAL300017145169	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	REAL300017145170	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	REAL300017145171	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	REAL300017145204	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	REAL300017145205	0	40	-1.0	-74.56	334.94	6.09	-68.47
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017145206	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-]	REAL300017145207	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	REAL300017145208	0	35	-1.0	-62.22	320.77	7.16	-55.06
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017145209	0	33	-1.0	-41.78	293.92	5.44	-36.34
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300017145210	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	REAL300017145211	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	REAL300017145212	0	36	-1.0	-46.90	318.79	4.92	-41.98
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145213	0	44	-1.0	-58.19	316.45	8.39	-49.80
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145214	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	REAL300017145215	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-]	REAL300017145216	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	REAL300017145217	0	43	-1.0	-59.59	374.74	8.83	-50.76
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017145218	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	REAL300017145219	0	38	-1.0	-57.54	351.36	6.66	-50.88
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300017145220	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	REAL300017145221	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-]	REAL300017145222	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-]	REAL300017145223	0	44	-1.0	-53.36	342.11	5.28	-48.08
CCOC(=O)N1CCC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300017145224	0	46	-1.0	-70.57	357.40	5.22	-65.35
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2)=CO1	REAL300017145225	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	REAL300017145226	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	REAL300017145227	0	35	-1.0	-50.01	292.67	5.15	-44.86
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017145228	0	35	-1.0	-57.57	293.56	4.04	-53.53
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017145229	0	40	-1.0	-59.74	321.11	6.00	-53.74
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145230	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	REAL300017145231	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	REAL300017145232	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	REAL300017145233	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	REAL300017145234	0	42	-1.0	-57.81	351.15	7.21	-50.60
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017145235	0	50	-1.0	-63.46	408.43	7.61	-55.85
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017145236	0	50	-1.0	-50.03	404.25	6.92	-43.11
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017145237	0	47	-1.0	-63.37	394.20	6.93	-56.44
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300017145238	0	34	-1.0	-55.03	307.56	5.81	-49.22
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C21	REAL300017145239	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)=C1Br	REAL300017145240	0	32	-1.0	-44.12	290.02	5.57	-38.55
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017145241	0	32	-1.0	-56.26	303.53	6.43	-49.83
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145242	0	42	-1.0	-65.50	326.62	6.91	-58.59
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1C#N	REAL300017145243	0	36	-1.0	-56.91	307.41	6.26	-50.65
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300017145244	0	38	-1.0	-60.71	326.68	6.05	-54.66
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145245	0	36	-1.0	-51.38	308.89	5.19	-46.19
COC1=CC=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145246	0	39	-1.0	-62.99	317.13	5.61	-57.38
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017145247	0	33	-1.0	-54.03	307.93	6.27	-47.76
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300017145248	0	39	-1.0	-60.07	333.20	6.16	-53.91
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300017145249	0	38	-1.0	-56.94	345.69	6.30	-50.64
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300017145250	0	39	-1.0	-61.70	328.57	4.39	-57.31
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1OC	REAL300017145251	0	40	-1.0	-48.75	331.68	4.25	-44.50
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017145252	0	36	-1.0	-59.11	312.93	5.01	-54.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017145253	0	35	-1.0	-52.84	311.82	6.42	-46.42
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300017145254	0	43	-1.0	-62.54	358.78	2.46	-60.08
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C2S1	REAL300017145255	0	44	-1.0	-59.05	384.89	8.48	-50.57
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017145256	0	36	-1.0	-67.88	309.67	6.54	-61.34
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(Br)=C1	REAL300017145257	0	36	-1.0	-45.92	304.72	4.43	-41.49
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017145258	0	37	-1.0	-67.61	327.17	1.03	-66.58
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])OCO2	REAL300017145259	0	38	-1.0	-59.96	313.44	4.97	-54.99
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145260	0	38	-1.0	-56.27	317.49	6.74	-49.53
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017145261	0	32	-1.0	-42.76	289.92	5.55	-37.21
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145262	0	38	-1.0	-56.44	288.63	6.69	-49.75
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017145263	0	32	-1.0	-45.67	292.00	5.65	-40.02
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])OCC(=O)N2	REAL300017145264	0	42	-1.0	-53.56	342.78	1.87	-51.69
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)S1	REAL300017145265	0	30	-1.0	-57.27	281.65	5.02	-52.25
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017145266	0	33	-1.0	-49.01	290.77	3.18	-45.83
COC1=CN=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145267	0	35	-1.0	-57.91	292.15	2.81	-55.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017145268	0	32	-1.0	-44.99	290.53	5.39	-39.60
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1OC	REAL300017145269	0	42	-1.0	-58.43	349.49	6.08	-52.35
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017145270	0	36	-1.0	-66.24	318.72	2.66	-63.58
CCOC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145271	0	39	-1.0	-60.32	318.88	5.60	-54.72
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=C2O1	REAL300017145272	0	43	-1.0	-53.85	343.28	6.12	-47.73
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017145273	0	36	-1.0	-58.08	324.15	6.54	-51.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017145311	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-]	REAL300017145312	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	REAL300017145313	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	REAL300017145314	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-]	REAL300017145315	0	37	-1.0	-54.27	314.37	6.67	-47.60
CC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145316	0	35	-1.0	-47.53	296.67	5.81	-41.72
COC(=O)C1=COC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145317	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	REAL300017145318	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	REAL300017145319	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	REAL300017145320	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	REAL300017145321	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	REAL300017145322	0	42	-1.0	-68.80	342.39	5.15	-63.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCC(F)(F)F	REAL300017145323	0	34	-1.0	-66.22	297.45	5.23	-60.99
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017145324	0	37	-1.0	-64.78	317.25	5.60	-59.18
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017145325	0	38	-1.0	-61.90	312.51	3.55	-58.35
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C21	REAL300017145326	0	44	-1.0	-62.65	342.01	5.94	-56.71
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017145327	0	34	-1.0	-53.95	305.95	4.76	-49.19
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145328	0	35	-1.0	-47.74	294.61	5.73	-42.01
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145329	0	40	-1.0	-69.38	320.97	5.86	-63.52
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN=C1Cl	REAL300017145330	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	REAL300017145331	0	38	-1.0	-60.24	318.72	4.43	-55.81
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017145332	0	31	-1.0	-53.36	289.41	5.21	-48.15
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300017145333	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	REAL300017145334	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	REAL300017145335	0	40	-1.0	-62.70	329.90	4.05	-58.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017145336	0	33	-1.0	-46.68	293.95	5.43	-41.25
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300017145337	0	38	-1.0	-69.02	315.65	6.71	-62.31
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017145338	0	40	-1.0	-72.26	315.88	7.50	-64.76
CCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1CC	REAL300017145339	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-]	REAL300017145340	0	40	-1.0	-54.64	310.52	7.27	-47.37
CC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1Cl	REAL300017145341	0	35	-1.0	-47.99	291.79	5.64	-42.35
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(C)O1	REAL300017145342	0	38	-1.0	-54.08	320.66	4.16	-49.92
CC1=C(C)SC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145343	0	35	-1.0	-60.65	301.64	5.83	-54.82
CC1=CC=CC(F)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145344	0	35	-1.0	-66.57	282.79	6.14	-60.43
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017145345	0	33	-1.0	-55.90	287.81	3.52	-52.38
CCC1=NC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300017145346	0	34	-1.0	-47.52	292.95	3.21	-44.31
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017145347	0	38	-1.0	-75.30	323.12	6.87	-68.43
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145348	0	34	-1.0	-45.68	292.61	3.17	-42.51
COC(=O)C1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])SC=N1	REAL300017145349	0	34	-1.0	-72.04	304.86	3.68	-68.36
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC(C)=C1F	REAL300017145350	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	REAL300017145351	0	40	-1.0	-67.45	327.06	3.83	-63.62
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017145352	0	43	-1.0	-60.19	330.88	3.38	-56.81
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN1C	REAL300017145353	0	39	-1.0	-67.40	330.44	5.57	-61.83
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017145354	0	31	-1.0	-54.57	279.34	4.03	-50.54
CC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1F	REAL300017145355	0	35	-1.0	-48.84	290.16	5.42	-43.42
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017145356	0	43	-1.0	-59.24	353.50	7.28	-51.96
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017145357	0	35	-1.0	-64.16	315.92	6.80	-57.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017145358	0	35	-1.0	-63.51	316.48	6.82	-56.69
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017145359	0	32	-1.0	-65.49	281.42	6.01	-59.48
CC1=CC(F)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145360	0	35	-1.0	-56.95	295.30	6.11	-50.84
COC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN=C1Cl	REAL300017145361	0	35	-1.0	-54.86	308.38	3.30	-51.56
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017145362	0	36	-1.0	-65.67	320.04	6.67	-59.00
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300017145363	0	37	-1.0	-55.92	321.17	4.27	-51.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017145364	0	31	-1.0	-59.20	282.28	4.38	-54.82
COCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017145365	0	39	-1.0	-61.04	322.69	5.12	-55.92
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145366	0	37	-1.0	-45.22	312.24	5.04	-40.18
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145367	0	38	-1.0	-57.27	338.97	6.53	-50.74
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017145368	0	35	-1.0	-47.40	304.72	2.56	-44.84
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300017145369	0	38	-1.0	-43.53	311.48	2.32	-41.21
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017145370	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	REAL300017145371	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	REAL300017145372	0	46	-1.0	-79.50	360.44	7.03	-72.47
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017145373	0	35	-1.0	-50.00	292.54	3.51	-46.49
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145374	0	38	-1.0	-45.43	314.37	6.25	-39.18
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145375	0	42	-1.0	-65.03	352.97	2.19	-62.84
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2CC1	REAL300017145376	0	49	-1.0	-66.66	380.59	7.35	-59.31
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(F)(F)F	REAL300017145377	0	41	-1.0	-55.52	352.38	6.84	-48.68
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145378	0	41	-1.0	-48.60	333.43	6.96	-41.64
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017145379	0	35	-1.0	-50.14	298.81	5.98	-44.16
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017145380	0	35	-1.0	-63.32	315.84	7.31	-56.01
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145381	0	46	-1.0	-65.75	379.06	3.57	-62.18
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145382	0	45	-1.0	-59.49	368.68	6.27	-53.22
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1C	REAL300017145383	0	44	-1.0	-57.79	360.15	7.47	-50.32
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145384	0	44	-1.0	-67.09	366.35	7.73	-59.36
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1OC	REAL300017145385	0	43	-1.0	-60.65	362.37	5.38	-55.27
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(F)C=C1C	REAL300017145386	0	44	-1.0	-48.57	362.99	6.90	-41.67
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017145387	0	38	-1.0	-63.42	334.25	7.58	-55.84
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145388	0	41	-1.0	-53.66	346.66	6.33	-47.33
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017145389	0	42	-1.0	-64.26	341.72	8.80	-55.46
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017145390	0	46	-1.0	-60.58	386.58	3.15	-57.43
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300017145391	0	35	-1.0	-61.88	310.69	6.82	-55.06
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN1C	REAL300017145392	0	44	-1.0	-64.80	371.27	6.67	-58.13
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017145393	0	36	-1.0	-64.30	315.09	6.23	-58.07
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017145394	0	35	-1.0	-58.92	301.79	6.32	-52.60
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145395	0	34	-1.0	-59.44	299.66	4.91	-54.53
CC1=NC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(Br)N1C	REAL300017145396	0	35	-1.0	-66.64	312.35	5.14	-61.50
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017145397	0	33	-1.0	-52.10	290.92	4.19	-47.91
COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145398	0	40	-1.0	-58.27	319.13	5.42	-52.85
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145399	0	45	-1.0	-66.08	360.36	6.22	-59.86
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(F)=C1	REAL300017145400	0	38	-1.0	-44.90	324.77	5.43	-39.47
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145401	0	43	-1.0	-54.36	361.80	4.20	-50.16
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300017145402	0	47	-1.0	-58.04	380.40	8.20	-49.84
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017145403	0	44	-1.0	-62.70	371.11	4.58	-58.12
COC(=O)C1(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CCCC1	REAL300017145404	0	44	-1.0	-59.65	335.52	6.64	-53.01
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145405	0	39	-1.0	-60.68	342.42	5.66	-55.02
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300017145406	0	38	-1.0	-55.70	321.86	6.88	-48.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017145407	0	43	-1.0	-57.30	372.91	8.73	-48.57
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145408	0	41	-1.0	-67.38	344.49	6.81	-60.57
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300017145409	0	42	-1.0	-66.04	321.02	6.92	-59.12
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017145410	0	38	-1.0	-62.69	334.72	7.56	-55.13
COC(=O)C1(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CCC1	REAL300017145411	0	41	-1.0	-72.15	330.87	5.96	-66.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017145412	0	32	-1.0	-56.45	301.87	5.67	-50.78
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145413	0	45	-1.0	-60.50	377.25	5.74	-54.76
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145414	0	48	-1.0	-60.04	399.12	6.66	-53.38
COC(=O)C1(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CCCCC1	REAL300017145415	0	47	-1.0	-67.21	347.68	7.83	-59.38
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145416	0	40	-1.0	-65.62	336.50	6.29	-59.33
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300017145417	0	34	-1.0	-67.72	295.64	4.28	-63.44
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017145418	0	36	-1.0	-62.64	301.77	5.36	-57.28
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])=C2	REAL300017145419	0	45	-1.0	-62.53	367.23	9.21	-53.32
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017145420	0	35	-1.0	-65.06	327.86	7.31	-57.75
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017145421	0	35	-1.0	-66.00	318.74	6.90	-59.10
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1F	REAL300017145422	0	36	-1.0	-63.76	313.84	5.33	-58.43
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145423	0	42	-1.0	-62.31	342.96	7.77	-54.54
CC(C)(CCS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])C1CC1	REAL300017145424	0	44	-1.0	-62.40	334.47	6.97	-55.43
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017145425	0	36	-1.0	-60.78	318.88	7.19	-53.59
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCC1=CC=CC=C1	REAL300017145426	0	41	-1.0	-64.32	336.87	7.81	-56.51
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C(C(N)=O)O1	REAL300017145428	0	36	-1.0	-57.37	302.29	0.26	-57.11
CCCC1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145432	0	41	-1.0	-64.47	325.33	7.91	-56.56
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017145433	0	41	-1.0	-66.13	334.57	6.30	-59.83
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC=C1C(F)F	REAL300017145434	0	32	-1.0	-71.51	289.31	5.58	-65.93
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017145435	0	38	-1.0	-64.07	323.93	7.14	-56.93
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145436	0	48	-1.0	-57.71	380.54	8.06	-49.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017145437	0	37	-1.0	-50.66	296.40	4.90	-45.76
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300017145438	0	52	-1.0	-70.75	393.95	7.80	-62.95
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145439	0	39	-1.0	-65.99	328.03	5.58	-60.41
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017145440	0	46	-1.0	-60.41	362.98	5.45	-54.96
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017145441	0	47	-1.0	-72.33	378.13	8.01	-64.32
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C21	REAL300017145442	0	46	-1.0	-80.51	368.26	7.32	-73.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017145443	0	39	-1.0	-60.18	319.10	5.09	-55.09
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300017145444	0	39	-1.0	-49.97	314.72	4.61	-45.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017145445	0	42	-1.0	-54.74	332.52	5.89	-48.85
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017145453	0	38	-1.0	-50.36	329.76	5.54	-44.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017145454	0	38	-1.0	-62.16	318.00	2.60	-59.56
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C=CO1	REAL300017145455	0	29	-1.0	-46.99	268.45	4.19	-42.80
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300017145456	0	39	-1.0	-56.28	308.53	4.67	-51.61
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300017145457	0	36	-1.0	-54.48	316.49	4.98	-49.50
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300017145458	0	36	-1.0	-47.94	305.82	4.15	-43.79
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(C)C	REAL300017145459	0	57	-1.0	-58.40	441.90	9.97	-48.43
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300017145460	0	48	-1.0	-65.32	375.53	7.59	-57.73
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145461	0	42	-1.0	-64.47	342.50	7.11	-57.36
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(C)C	REAL300017145462	0	55	-1.0	-61.93	432.83	7.84	-54.09
CC1=CSC(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145463	0	35	-1.0	-44.32	283.03	5.33	-38.99
CC1CC2=CC=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=C2O1	REAL300017145464	0	40	-1.0	-52.73	323.41	5.47	-47.26
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300017145465	0	40	-1.0	-48.52	331.60	4.29	-44.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300017145466	0	40	-1.0	-62.68	335.86	7.60	-55.08
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145467	0	36	-1.0	-60.76	303.59	6.03	-54.73
CC1=C(Br)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(C)S1	REAL300017145468	0	35	-1.0	-55.16	303.00	6.41	-48.75
CC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(Br)=C1	REAL300017145469	0	35	-1.0	-60.38	308.90	7.12	-53.26
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C21	REAL300017145470	0	49	-1.0	-71.16	376.10	7.41	-63.75
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017145471	0	38	-1.0	-63.07	317.56	5.80	-57.27
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C21	REAL300017145472	0	46	-1.0	-60.16	364.56	6.84	-53.32
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC=C1Cl	REAL300017145473	0	29	-1.0	-44.04	266.67	4.06	-39.98
CN1N=C(Br)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145474	0	32	-1.0	-52.79	290.01	3.61	-49.18
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017145475	0	34	-1.0	-54.81	301.69	4.57	-50.24
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145476	0	37	-1.0	-55.31	301.90	4.25	-51.06
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017145477	0	41	-1.0	-60.18	312.67	5.30	-54.88
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017145478	0	36	-1.0	-46.68	321.10	5.28	-41.40
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017145479	0	33	-1.0	-52.39	282.11	4.16	-48.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017145480	0	35	-1.0	-61.61	307.89	6.88	-54.73
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017145481	0	36	-1.0	-48.05	321.28	5.29	-42.76
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017145482	0	35	-1.0	-71.92	315.25	5.17	-66.75
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145483	0	39	-1.0	-55.36	319.92	5.21	-50.15
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1F	REAL300017145484	0	41	-1.0	-58.96	315.13	6.97	-51.99
COC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1OC	REAL300017145485	0	40	-1.0	-50.88	321.16	4.68	-46.20
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017145486	0	41	-1.0	-65.13	335.81	2.60	-62.53
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300017145487	0	33	-1.0	-54.00	307.95	6.26	-47.74
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=COC2=CC=CC=C12	REAL300017145488	0	35	-1.0	-50.56	296.51	5.12	-45.44
COC1=CC=C(F)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1OC	REAL300017145489	0	40	-1.0	-64.19	326.60	5.69	-58.50
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145490	0	35	-1.0	-42.83	321.64	4.14	-38.69
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2CCCC2)=N1	REAL300017145491	0	45	-1.0	-59.45	350.55	6.12	-53.33
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300017145492	0	36	-1.0	-66.18	315.55	7.07	-59.11
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2CC2)=N1	REAL300017145494	0	39	-1.0	-58.81	322.01	5.19	-53.62
C[C@]1(C(=O)[O-])CCCN1C(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017145495	0	34	-1.0	-58.95	305.49	9.44	-49.51
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017145496	0	36	-1.0	-62.21	310.16	5.04	-57.17
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017145497	0	36	-1.0	-47.77	321.31	5.31	-42.46
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017145498	0	35	-1.0	-64.30	294.64	4.56	-59.74
CN1N=NC2=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=CC=C21	REAL300017145499	0	37	-1.0	-54.08	310.98	3.27	-50.81
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Br	REAL300017145501	0	38	-1.0	-60.18	326.88	7.50	-52.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCCC(C)(C)C1	REAL300017145502	0	43	-1.0	-61.02	321.46	5.68	-55.34
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017145503	0	38	-1.0	-56.17	338.97	6.60	-49.57
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017145504	0	35	-1.0	-49.74	296.05	4.98	-44.76
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2CCC2)=N1	REAL300017145505	0	42	-1.0	-59.09	339.06	5.78	-53.31
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145506	0	50	-1.0	-65.61	386.21	9.49	-56.12
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017145507	0	38	-1.0	-60.57	338.61	7.25	-53.32
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC=C1	REAL300017145508	0	29	-1.0	-44.94	267.52	4.13	-40.81
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017145509	0	42	-1.0	-43.79	337.05	5.26	-38.53
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017145510	0	36	-1.0	-62.39	303.69	6.58	-55.81
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017145511	0	43	-1.0	-64.38	366.29	8.52	-55.86
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017145512	0	45	-1.0	-68.36	360.73	3.85	-64.51
COC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017145513	0	41	-1.0	-77.55	332.11	7.09	-70.46
CCCC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145514	0	41	-1.0	-60.60	331.93	7.59	-53.01
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145515	0	38	-1.0	-53.91	321.47	3.12	-50.79
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300017145516	0	33	-1.0	-45.57	283.79	4.84	-40.73
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145517	0	39	-1.0	-58.15	310.29	4.77	-53.38
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017145518	0	36	-1.0	-53.01	327.38	6.79	-46.22
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C2C=C1	REAL300017145519	0	44	-1.0	-59.91	367.97	8.28	-51.63
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145520	0	41	-1.0	-56.28	311.16	5.09	-51.19
CC(C)(C)N1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300017145521	0	41	-1.0	-57.89	333.67	5.13	-52.76
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300017145522	0	39	-1.0	-58.23	313.01	4.38	-53.85
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300017145523	0	37	-1.0	-52.68	318.47	5.20	-47.48
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017145524	0	35	-1.0	-54.56	312.90	6.46	-48.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CF)C=C1	REAL300017145525	0	35	-1.0	-61.15	295.60	6.21	-54.94
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017145526	0	32	-1.0	-66.41	295.53	5.77	-60.64
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017145527	0	32	-1.0	-57.53	299.81	5.50	-52.03
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(F)(F)CC1	REAL300017145528	0	37	-1.0	-58.59	296.53	4.58	-54.01
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017145529	0	35	-1.0	-52.81	319.40	6.78	-46.03
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017145530	0	35	-1.0	-73.77	293.97	6.71	-67.06
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145531	0	43	-1.0	-65.45	352.09	7.41	-58.04
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017145532	0	43	-1.0	-62.92	338.48	8.51	-54.41
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300017145533	0	42	-1.0	-69.52	347.63	7.05	-62.47
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017145534	0	38	-1.0	-58.18	333.18	6.50	-51.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017145535	0	38	-1.0	-59.38	311.87	5.88	-53.50
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300017145536	0	37	-1.0	-50.39	322.66	5.35	-45.04
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017145537	0	42	-1.0	-56.89	363.82	6.16	-50.73
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017145538	0	41	-1.0	-66.57	343.91	5.47	-61.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017145539	0	32	-1.0	-47.39	286.65	5.01	-42.38
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300017145540	0	39	-1.0	-61.53	316.76	7.47	-54.06
COC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=CS1	REAL300017145541	0	33	-1.0	-50.30	287.87	3.32	-46.98
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017145542	0	35	-1.0	-63.24	305.51	6.87	-56.37
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145543	0	38	-1.0	-56.74	335.41	5.83	-50.91
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017145544	0	39	-1.0	-48.14	319.31	6.89	-41.25
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017145545	0	42	-1.0	-55.83	333.55	6.04	-49.79
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145546	0	41	-1.0	-55.82	329.13	5.35	-50.47
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017145547	0	41	-1.0	-63.80	338.32	2.92	-60.88
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300017145548	0	35	-1.0	-49.67	316.81	1.24	-48.43
CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145549	0	46	-1.0	-61.48	332.38	6.10	-55.38
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145550	0	36	-1.0	-48.66	304.92	4.80	-43.86
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2CCOCC2)=N1	REAL300017145551	0	46	-1.0	-59.38	361.55	4.44	-54.94
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145552	0	38	-1.0	-61.28	320.60	6.88	-54.40
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017145553	0	36	-1.0	-59.50	306.78	4.96	-54.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017145554	0	47	-1.0	-59.79	360.49	7.90	-51.89
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300017145555	0	33	-1.0	-58.76	293.18	3.93	-54.83
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=NC=CC=C12	REAL300017145556	0	43	-1.0	-71.88	333.29	8.04	-63.84
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017145557	0	40	-1.0	-60.72	322.50	5.42	-55.30
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300017145558	0	35	-1.0	-60.05	301.92	4.12	-55.93
CCOCC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145559	0	42	-1.0	-61.95	344.41	6.06	-55.89
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145562	0	42	-1.0	-56.50	346.54	6.57	-49.93
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017145563	0	45	-1.0	-59.44	355.64	6.37	-53.07
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017145564	0	43	-1.0	-58.14	356.28	8.23	-49.91
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300017145565	0	35	-1.0	-68.25	292.44	6.47	-61.78
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC(C)=C1Br	REAL300017145566	0	38	-1.0	-57.80	328.32	7.19	-50.61
CCN1N=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1Cl	REAL300017145567	0	35	-1.0	-48.22	305.66	3.57	-44.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017145568	0	36	-1.0	-60.63	322.90	7.28	-53.35
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])=C2	REAL300017145569	0	38	-1.0	-57.52	354.29	6.70	-50.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017145570	0	32	-1.0	-59.16	297.44	6.26	-52.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017145571	0	34	-1.0	-41.54	304.70	3.92	-37.62
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017145572	0	37	-1.0	-68.81	321.21	6.41	-62.40
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017145573	0	37	-1.0	-49.73	313.30	5.42	-44.31
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300017145574	0	41	-1.0	-54.70	318.84	7.31	-47.39
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145575	0	36	-1.0	-67.63	319.44	6.37	-61.26
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017145576	0	39	-1.0	-62.00	328.85	5.83	-56.17
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300017145577	0	46	-1.0	-61.04	374.46	6.92	-54.12
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017145578	0	32	-1.0	-40.82	292.19	5.33	-35.49
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])O1	REAL300017145579	0	38	-1.0	-66.64	335.60	1.88	-64.76
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300017145580	0	42	-1.0	-71.75	352.78	6.85	-64.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017145581	0	38	-1.0	-47.84	338.30	2.46	-45.38
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017145582	0	36	-1.0	-43.74	304.41	6.13	-37.61
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017145583	0	36	-1.0	-60.58	325.87	7.39	-53.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017145584	0	36	-1.0	-43.66	319.28	6.69	-36.97
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017145585	0	36	-1.0	-46.30	306.68	6.06	-40.24
COC(=O)C1CCCCN1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145586	0	43	-1.0	-49.49	321.17	5.37	-44.12
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300017145587	0	54	-1.0	-61.54	397.03	9.55	-51.99
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300017145588	0	35	-1.0	-61.51	312.91	6.18	-55.33
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017145589	0	43	-1.0	-49.10	343.88	5.85	-43.25
COC(=O)C=CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017145590	0	42	-1.0	-62.15	354.03	7.26	-54.89
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=NN1	REAL300017145591	0	38	-1.0	-59.45	328.89	3.54	-55.91
COC1=CSC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1OC	REAL300017145592	0	37	-1.0	-64.35	323.16	3.45	-60.90
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCC[C@]1(C)C(=O)[O-])C2	REAL300017145593	0	49	-1.0	-64.97	334.95	9.10	-55.87
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017145594	0	44	-1.0	-61.02	329.27	5.89	-55.13
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145595	0	43	-1.0	-60.46	343.67	7.09	-53.37
C[C@]1(C(=O)[O-])CCCN1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017145596	0	43	-1.0	-64.75	330.54	11.12	-53.63
C[C@]1(C(=O)[O-])CCCN1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017145597	0	49	-1.0	-61.90	363.68	10.62	-51.28
CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300017145598	0	50	-1.0	-59.47	368.40	7.12	-52.35
CN(C(=O)N1CCC[C@]1(C)C(=O)[O-])C1CCS(=O)(=O)C1	REAL300017145599	0	39	-1.0	-69.87	303.76	3.39	-66.48
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145600	0	51	-1.0	-65.96	380.50	8.58	-57.38
COC(=O)C1CN(C(=O)N2CCC[C@]2(C)C(=O)[O-])CCO1	REAL300017145601	0	40	-1.0	-60.94	312.04	5.86	-55.08
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145602	0	36	-1.0	-60.30	317.79	6.59	-53.71
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017145603	0	36	-1.0	-59.23	316.95	6.48	-52.75
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017145604	0	36	-1.0	-62.02	311.45	4.96	-57.06
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145605	0	38	-1.0	-58.21	306.99	5.11	-53.10
CN1C=CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300017145606	0	39	-1.0	-63.55	321.17	7.14	-56.41
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017145607	0	35	-1.0	-71.24	303.77	6.79	-64.45
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017145608	0	41	-1.0	-58.34	346.34	5.85	-52.49
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017145609	0	29	-1.0	-52.89	294.48	5.58	-47.31
CN1N=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1Cl	REAL300017145610	0	32	-1.0	-48.12	283.70	2.69	-45.43
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145611	0	45	-1.0	-55.15	355.08	7.06	-48.09
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017145612	0	49	-1.0	-59.92	385.87	7.27	-52.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017145613	0	35	-1.0	-57.84	323.69	6.74	-51.10
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017145614	0	37	-1.0	-58.77	318.92	6.01	-52.76
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145615	0	40	-1.0	-70.12	325.24	4.77	-65.35
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017145616	0	43	-1.0	-59.35	356.21	8.22	-51.13
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145617	0	38	-1.0	-76.20	310.89	7.23	-68.97
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017145618	0	37	-1.0	-63.77	322.42	3.97	-59.80
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017145619	0	33	-1.0	-46.48	307.19	3.73	-42.75
COCN1N=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145620	0	36	-1.0	-48.98	296.45	1.09	-47.89
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145621	0	34	-1.0	-57.11	299.35	4.93	-52.18
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145622	0	43	-1.0	-60.60	351.20	7.00	-53.60
CCN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C2CC2)=N1	REAL300017145623	0	42	-1.0	-60.62	342.18	6.08	-54.54
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300017145624	0	36	-1.0	-68.70	299.04	4.80	-63.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017145625	0	38	-1.0	-58.36	329.94	8.14	-50.22
CC(=O)OC1CCN(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300017145626	0	40	-1.0	-61.55	328.85	4.61	-56.94
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017145627	0	42	-1.0	-58.50	358.33	9.29	-49.21
CCC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1Br	REAL300017145628	0	38	-1.0	-56.43	326.55	7.24	-49.19
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145629	0	45	-1.0	-51.44	354.33	5.88	-45.56
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300017145630	0	29	-1.0	-43.82	271.68	4.26	-39.56
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145631	0	46	-1.0	-53.82	368.86	5.16	-48.66
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017145632	0	38	-1.0	-50.37	318.69	7.30	-43.07
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145633	0	40	-1.0	-55.90	314.43	2.83	-53.07
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300017145634	0	39	-1.0	-63.64	303.97	7.23	-56.41
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C)(C)CC1	REAL300017145635	0	43	-1.0	-59.82	319.50	5.36	-54.46
CC(=O)OCC1CCN(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300017145636	0	46	-1.0	-64.36	362.24	6.09	-58.27
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145637	0	46	-1.0	-73.59	380.63	5.78	-67.81
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017145638	0	42	-1.0	-61.59	323.14	2.59	-59.00
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=N1	REAL300017145639	0	38	-1.0	-60.45	314.94	2.98	-57.47
COC1=NC=C(C)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145640	0	38	-1.0	-50.23	311.47	2.70	-47.53
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017145641	0	47	-1.0	-60.82	372.63	5.84	-54.98
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145642	0	35	-1.0	-47.04	306.63	2.53	-44.51
COC1=NC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300017145643	0	38	-1.0	-57.05	314.86	2.75	-54.30
CC(C)CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300017145644	0	41	-1.0	-61.31	336.65	5.52	-55.79
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145645	0	41	-1.0	-48.80	325.19	4.16	-44.64
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017145646	0	31	-1.0	-62.31	298.56	3.72	-58.59
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C#N)C=CS1	REAL300017145647	0	30	-1.0	-61.31	278.52	4.82	-56.49
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017145648	0	36	-1.0	-58.10	335.60	7.71	-50.39
CC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145649	0	38	-1.0	-48.25	308.08	3.94	-44.31
COC(=O)C1=NC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C	REAL300017145650	0	40	-1.0	-56.38	334.21	4.69	-51.69
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300017145651	0	35	-1.0	-74.48	312.09	7.40	-67.08
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300017145652	0	39	-1.0	-55.74	317.76	5.60	-50.14
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017145653	0	39	-1.0	-60.23	327.25	6.62	-53.61
COC1=NOC(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145654	0	35	-1.0	-63.17	301.78	1.82	-61.35
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300017145655	0	37	-1.0	-64.58	301.38	5.74	-58.84
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=NN1C(C)C	REAL300017145656	0	41	-1.0	-53.48	325.78	4.44	-49.04
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017145657	0	39	-1.0	-62.95	328.92	7.60	-55.35
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017145658	0	34	-1.0	-59.93	296.82	4.45	-55.48
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300017145659	0	46	-1.0	-59.61	376.47	8.93	-50.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017145660	0	39	-1.0	-62.52	330.30	7.61	-54.91
C[C@]1(C(=O)[O-])CCCN1C(=O)N1CCC(C(F)(F)F)CC1	REAL300017145661	0	39	-1.0	-63.11	302.82	7.67	-55.44
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017145662	0	36	-1.0	-46.71	316.53	5.18	-41.53
C[C@]1(C(=O)[O-])CCCN1C(=O)N1CC=C(Br)CC1	REAL300017145663	0	34	-1.0	-59.04	278.97	6.84	-52.20
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017145664	0	35	-1.0	-54.38	304.26	5.71	-48.67
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145665	0	40	-1.0	-69.81	326.91	1.18	-68.63
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300017145666	0	39	-1.0	-58.70	298.43	3.41	-55.29
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C#N)CC1	REAL300017145667	0	38	-1.0	-64.44	305.30	4.79	-59.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017145669	0	39	-1.0	-47.40	309.91	6.58	-40.82
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(Cl)=C1Cl	REAL300017145670	0	35	-1.0	-44.79	307.23	6.11	-38.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017145671	0	36	-1.0	-42.95	316.04	4.56	-38.39
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017145672	0	39	-1.0	-50.45	335.65	5.84	-44.61
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C(F)F)=C1	REAL300017145673	0	39	-1.0	-42.33	316.06	4.83	-37.50
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145674	0	38	-1.0	-47.14	328.91	3.01	-44.13
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C2=NC=CC=C12	REAL300017145675	0	40	-1.0	-57.99	321.40	6.29	-51.70
C[C@]1(C(=O)[O-])CCCN1C(=O)N1CC(OCC2=CC=CC=C2)C1	REAL300017145676	0	44	-1.0	-61.83	351.04	8.33	-53.50
CC(C)(C)OC(=O)NC1CN(C(=O)N2CCC[C@]2(C)C(=O)[O-])C1	REAL300017145677	0	47	-1.0	-65.60	361.98	5.30	-60.30
CC(=O)OCC1CCN(C(=O)N2CCC[C@]2(C)C(=O)[O-])CC1	REAL300017145678	0	45	-1.0	-67.16	342.52	8.34	-58.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300017145679	0	35	-1.0	-57.90	298.53	5.01	-52.89
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145681	0	45	-1.0	-65.51	357.71	7.71	-57.80
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C(Cl)S1	REAL300017145682	0	32	-1.0	-56.90	298.34	5.93	-50.97
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017145683	0	39	-1.0	-46.06	338.45	5.67	-40.39
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2CCCCN2N=C1	REAL300017145684	0	39	-1.0	-63.67	311.67	4.75	-58.92
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300017145689	0	32	-1.0	-54.41	290.63	5.94	-48.47
C[C@@]1(C(=O)[O-])CCCN1C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21	REAL300017145709	0	46	-1.0	-60.44	373.16	12.33	-48.11
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300017145710	0	37	-1.0	-63.16	324.83	0.41	-62.75
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1C#N	REAL300017145711	0	36	-1.0	-64.43	312.31	6.49	-57.94
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017145712	0	40	-1.0	-57.38	334.16	7.25	-50.13
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300017145713	0	40	-1.0	-66.57	322.96	7.16	-59.41
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300017145714	0	38	-1.0	-62.97	314.98	4.60	-58.37
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(=O)N(C)C1=O	REAL300017145715	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-]	REAL300017145716	0	38	-1.0	-59.11	300.81	4.23	-54.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300017145717	0	35	-1.0	-62.86	299.21	2.88	-59.98
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300017145718	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-]	REAL300017145719	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	REAL300017145720	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	REAL300017145721	0	32	-1.0	-56.40	280.17	5.53	-50.87
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300017145722	0	44	-1.0	-59.25	323.12	7.80	-51.45
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1	REAL300017145723	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-]	REAL300017145724	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	REAL300017145725	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	REAL300017145726	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	REAL300017145727	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	REAL300017145728	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	REAL300017145729	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	REAL300017145730	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	REAL300017145731	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	REAL300017145732	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	REAL300017145733	0	37	-1.0	-60.29	310.54	5.82	-54.47
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300017145734	0	36	-1.0	-56.94	319.44	5.25	-51.69
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017145735	0	41	-1.0	-60.28	360.86	7.47	-52.81
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300017145736	0	33	-1.0	-55.55	297.17	5.87	-49.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CCOCC1	REAL300017145737	0	42	-1.0	-64.62	329.67	4.88	-59.74
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300017145738	0	48	-1.0	-70.98	405.26	7.44	-63.54
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017145739	0	35	-1.0	-46.14	292.18	5.39	-40.75
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300017145740	0	41	-1.0	-62.85	334.91	7.04	-55.81
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300017145741	0	33	-1.0	-55.48	302.66	4.92	-50.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300017145742	0	38	-1.0	-65.09	326.12	7.13	-57.96
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300017145743	0	35	-1.0	-55.67	299.18	3.92	-51.75
CC1=CC=CC(C)=C1CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145744	0	41	-1.0	-63.14	323.54	7.47	-55.67
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017145745	0	34	-1.0	-46.74	306.05	6.94	-39.80
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(F)C=C1C	REAL300017145746	0	41	-1.0	-59.97	344.32	6.64	-53.33
CC1=CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2N=C1Cl	REAL300017145747	0	40	-1.0	-60.36	346.49	6.82	-53.54
COC(CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=CC=C1	REAL300017145748	0	42	-1.0	-65.60	348.49	6.33	-59.27
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300017145749	0	41	-1.0	-60.74	325.83	6.72	-54.02
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300017145750	0	42	-1.0	-61.45	351.45	6.34	-55.11
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C(C)C)=C1	REAL300017145751	0	59	-1.0	-44.62	407.32	9.99	-34.63
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300017145752	0	37	-1.0	-64.19	322.56	7.02	-57.17
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017145753	0	44	-1.0	-64.15	370.60	7.85	-56.30
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017145754	0	39	-1.0	-57.30	336.06	5.67	-51.63
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300017145755	0	39	-1.0	-60.69	319.39	7.54	-53.15
COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])CCC2=C1	REAL300017145756	0	44	-1.0	-48.31	348.83	6.50	-41.81
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300017145757	0	40	-1.0	-60.88	331.56	6.42	-54.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300017145758	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	REAL300017145759	0	37	-1.0	-66.85	312.90	5.91	-60.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300017145760	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-]	REAL300017145761	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	REAL300017145762	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	REAL300017145763	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	REAL300017145764	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	REAL300017145765	0	43	-1.0	-61.66	366.25	3.45	-58.21
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300017145766	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	REAL300017145767	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	REAL300017145768	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	REAL300017145769	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	REAL300017145770	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-]	REAL300017145771	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	REAL300017145772	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	REAL300017145773	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	REAL300017145774	0	32	-1.0	-60.20	276.45	5.77	-54.43
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300017145775	0	32	-1.0	-58.06	291.45	6.05	-52.01
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017145776	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	REAL300017145777	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	REAL300017145778	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	REAL300017145779	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	REAL300017145780	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	REAL300017145781	0	35	-1.0	-57.54	309.63	6.61	-50.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300017145782	0	32	-1.0	-59.91	278.49	5.88	-54.03
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300017145783	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	REAL300017145784	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	REAL300017145785	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-]	REAL300017145786	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	REAL300017145787	0	29	-1.0	-54.94	282.34	5.16	-49.78
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145788	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-]	REAL300017145789	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	REAL300017145790	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	REAL300017145791	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	REAL300017145792	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	REAL300017145793	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	REAL300017145794	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	REAL300017145795	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	REAL300017145796	0	39	-1.0	-60.58	313.03	7.28	-53.30
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(OC)=C1	REAL300017145797	0	40	-1.0	-62.89	325.41	4.68	-58.21
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300017145798	0	40	-1.0	-60.68	317.82	7.63	-53.05
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Cl	REAL300017145799	0	38	-1.0	-45.10	317.64	6.96	-38.14
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1F	REAL300017145800	0	32	-1.0	-60.70	280.16	5.53	-55.17
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145801	0	39	-1.0	-65.72	317.29	6.04	-59.68
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145802	0	35	-1.0	-61.79	299.23	6.59	-55.20
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1NC(C)=O	REAL300017145803	0	43	-1.0	-69.59	354.64	3.77	-65.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300017145804	0	40	-1.0	-62.75	329.95	4.61	-58.14
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300017145805	0	36	-1.0	-61.34	303.22	2.19	-59.15
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300017145806	0	37	-1.0	-60.76	309.54	3.83	-56.93
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1OCC	REAL300017145807	0	46	-1.0	-61.39	372.93	6.50	-54.89
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300017145808	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	REAL300017145809	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	REAL300017145810	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	REAL300017145811	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	REAL300017145812	0	39	-1.0	-64.25	326.45	4.31	-59.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300017145813	0	34	-1.0	-65.17	298.38	6.10	-59.07
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145814	0	37	-1.0	-67.50	305.99	6.62	-60.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017145815	0	35	-1.0	-50.01	301.03	6.04	-43.97
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017145816	0	35	-1.0	-49.78	316.71	6.90	-42.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300017145817	0	35	-1.0	-62.77	323.33	6.99	-55.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300017145818	0	41	-1.0	-79.08	356.65	3.80	-75.28
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300017145819	0	31	-1.0	-52.51	301.87	4.63	-47.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300017145820	0	35	-1.0	-65.13	297.09	5.85	-59.28
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CCCCC1	REAL300017145821	0	44	-1.0	-63.30	338.53	7.26	-56.04
CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2C=C1	REAL300017145822	0	41	-1.0	-61.98	337.75	8.37	-53.61
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CS1	REAL300017145823	0	29	-1.0	-63.78	279.42	5.01	-58.77
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017145824	0	41	-1.0	-62.95	346.72	7.04	-55.91
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300017145825	0	47	-1.0	-69.23	391.72	5.98	-63.25
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017145826	0	45	-1.0	-68.45	366.38	5.78	-62.67
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300017145827	0	35	-1.0	-63.49	312.82	6.74	-56.75
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300017145828	0	38	-1.0	-62.62	318.85	7.72	-54.90
CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(CC)=C1	REAL300017145829	0	50	-1.0	-43.77	353.71	8.71	-35.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300017145830	0	37	-1.0	-60.98	305.93	5.24	-55.74
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017145831	0	40	-1.0	-55.02	322.24	7.12	-47.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300017145832	0	39	-1.0	-63.21	326.06	5.19	-58.02
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300017145833	0	34	-1.0	-61.95	318.59	5.36	-56.59
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300017145834	0	40	-1.0	-64.71	341.57	5.27	-59.44
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1Cl	REAL300017145835	0	36	-1.0	-57.39	316.02	5.31	-52.08
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300017145836	0	35	-1.0	-60.75	305.27	2.96	-57.79
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145837	0	45	-1.0	-52.64	357.74	5.40	-47.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300017145838	0	35	-1.0	-59.81	309.08	4.64	-55.17
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(F)C=C1Br	REAL300017145839	0	35	-1.0	-56.53	313.09	6.65	-49.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300017145840	0	37	-1.0	-49.19	322.16	7.37	-41.82
CC1=CC=CC(Cl)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145841	0	35	-1.0	-63.54	287.49	6.41	-57.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300017145842	0	39	-1.0	-64.01	321.78	7.69	-56.32
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCOCC1CCCC1	REAL300017145843	0	45	-1.0	-60.11	356.91	6.04	-54.07
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300017145844	0	36	-1.0	-61.61	312.49	5.75	-55.86
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300017145845	0	37	-1.0	-66.78	305.11	5.47	-61.31
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300017145846	0	41	-1.0	-67.25	352.53	6.92	-60.33
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300017145847	0	41	-1.0	-51.60	330.27	7.44	-44.16
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300017145848	0	36	-1.0	-61.10	322.82	6.19	-54.91
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300017145849	0	38	-1.0	-60.57	321.20	8.02	-52.55
CC1=CC(F)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1	REAL300017145850	0	35	-1.0	-65.61	298.10	6.31	-59.30
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300017145851	0	46	-1.0	-63.57	378.24	8.49	-55.08
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(C#N)C=C1	REAL300017145852	0	36	-1.0	-63.60	314.79	6.65	-56.95
CN(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017145853	0	42	-1.0	-63.23	342.11	5.30	-57.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300017145854	0	35	-1.0	-65.41	312.67	6.80	-58.61
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017145855	0	32	-1.0	-60.02	290.49	5.98	-54.04
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300017145856	0	43	-1.0	-73.94	358.19	5.40	-68.54
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145857	0	36	-1.0	-65.58	302.68	5.49	-60.09
CCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017145858	0	40	-1.0	-65.26	333.29	7.27	-57.99
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300017145859	0	37	-1.0	-62.82	300.08	5.75	-57.07
CC(=O)NC1=NC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017145860	0	35	-1.0	-49.18	307.28	2.27	-46.91
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300017145861	0	35	-1.0	-57.81	297.35	2.10	-55.71
CC1C(=O)NC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C21	REAL300017145863	0	40	-1.0	-60.06	330.49	4.41	-55.65
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300017145864	0	38	-1.0	-59.93	321.22	2.68	-57.25
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017145865	0	47	-1.0	-60.97	373.58	8.94	-52.03
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300017145866	0	43	-1.0	-70.27	349.07	6.46	-63.81
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)=C1	REAL300017145867	0	46	-1.0	-60.00	381.00	8.99	-51.01
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300017145868	0	37	-1.0	-60.41	306.06	5.28	-55.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300017145869	0	43	-1.0	-69.63	347.88	6.54	-63.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300017145870	0	36	-1.0	-59.20	327.13	6.62	-52.58
CN1C(=O)CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300017145871	0	40	-1.0	-60.94	330.36	5.79	-55.15
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300017145872	0	37	-1.0	-59.18	318.20	6.94	-52.24
CN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300017145873	0	38	-1.0	-64.71	324.15	5.39	-59.32
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1	REAL300017145874	0	37	-1.0	-60.82	328.28	6.26	-54.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300017145875	0	36	-1.0	-59.54	316.14	5.22	-54.32
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(I)=C1	REAL300017145876	0	32	-1.0	-57.92	297.94	6.53	-51.39
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300017145877	0	32	-1.0	-54.67	280.32	5.51	-49.16
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300017145878	0	34	-1.0	-51.59	304.66	6.45	-45.14
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017145879	0	39	-1.0	-61.10	343.31	3.59	-57.51
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017145880	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	REAL300017145881	0	29	-1.0	-55.02	288.40	5.43	-49.59
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017145882	0	48	-1.0	-62.97	385.51	6.34	-56.63
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300017145883	0	46	-1.0	-67.82	363.47	7.07	-60.75
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017145884	0	38	-1.0	-59.92	324.85	6.09	-53.83
CNC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017145885	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	REAL300017145886	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	REAL300017145887	0	46	-1.0	-65.74	365.62	7.03	-58.71
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017145888	0	35	-1.0	-56.76	316.42	5.18	-51.58
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145889	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	REAL300017145890	0	38	-1.0	-64.41	326.93	2.42	-61.99
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300017145891	0	38	-1.0	-59.32	327.04	3.02	-56.30
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CN=C1Cl	REAL300017145892	0	31	-1.0	-56.83	271.54	3.93	-52.90
CC1=CC2=CC=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=C2N=C1	REAL300017145893	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	REAL300017145894	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-]	REAL300017145895	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	REAL300017145896	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	REAL300017145897	0	37	-1.0	-67.91	324.69	0.40	-67.51
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300017145898	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	REAL300017145899	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	REAL300017145900	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	REAL300017145901	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	REAL300017145902	0	38	-1.0	-61.35	325.55	1.82	-59.53
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300017145903	0	32	-1.0	-53.41	291.06	4.61	-48.80
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300017145904	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	REAL300017145905	0	39	-1.0	-60.62	333.06	4.64	-55.98
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145906	0	40	-1.0	-60.49	334.51	6.78	-53.71
CC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145907	0	35	-1.0	-57.01	283.59	6.03	-50.98
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300017145908	0	41	-1.0	-59.92	326.11	6.67	-53.25
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CN=C12	REAL300017145909	0	40	-1.0	-61.43	320.05	6.44	-54.99
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300017145910	0	40	-1.0	-57.50	321.91	7.56	-49.94
CCOC(=O)C1CCCN(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300017145911	0	46	-1.0	-63.24	361.56	6.03	-57.21
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017145912	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	REAL300017145913	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-]	REAL300017145914	0	34	-1.0	-52.68	300.16	6.90	-45.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C#N	REAL300017145915	0	33	-1.0	-60.08	297.55	6.09	-53.99
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300017145916	0	44	-1.0	-64.13	348.82	4.07	-60.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300017145917	0	38	-1.0	-65.16	330.83	2.95	-62.21
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300017145918	0	42	-1.0	-53.42	335.70	8.55	-44.87
CC1CC(C)CN(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300017145919	0	43	-1.0	-60.38	326.87	5.70	-54.68
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017145920	0	41	-1.0	-61.63	346.78	7.01	-54.62
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017145921	0	32	-1.0	-52.46	294.08	5.80	-46.66
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCS(C)(=O)=O	REAL300017145922	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	REAL300017145923	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	REAL300017145924	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	REAL300017145925	0	43	-1.0	-59.81	353.73	4.95	-54.86
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300017145926	0	37	-1.0	-64.74	326.27	6.10	-58.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300017145927	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	REAL300017145928	0	32	-1.0	-54.61	306.62	6.52	-48.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300017145929	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-]	REAL300017145930	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-]	REAL300017145931	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	REAL300017145932	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	REAL300017145933	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	REAL300017145934	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	REAL300017145935	0	41	-1.0	-59.42	341.13	6.63	-52.79
COC(=O)CCN(C)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145936	0	39	-1.0	-62.74	322.09	4.14	-58.60
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300017145937	0	42	-1.0	-64.98	338.52	0.96	-64.02
CN(C1CCOCC1)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145938	0	41	-1.0	-60.50	312.27	3.30	-57.20
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300017145939	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	REAL300017145940	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	REAL300017145941	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	REAL300017145942	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	REAL300017145943	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	REAL300017145944	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	REAL300017145945	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-]	REAL300017145946	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	REAL300017145947	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	REAL300017145948	0	40	-1.0	-74.64	336.61	4.84	-69.80
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300017145949	0	45	-1.0	-67.26	372.95	7.13	-60.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300017145950	0	36	-1.0	-64.89	302.03	5.34	-59.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300017145951	0	34	-1.0	-66.43	299.74	5.30	-61.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017145952	0	32	-1.0	-64.10	287.39	6.09	-58.01
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(Cl)=N1	REAL300017145953	0	34	-1.0	-56.67	293.46	4.55	-52.12
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300017145954	0	36	-1.0	-61.29	318.72	6.56	-54.73
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300017145955	0	31	-1.0	-52.20	288.29	4.12	-48.08
COC1=NC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300017145956	0	35	-1.0	-54.39	313.80	2.66	-51.73
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017145957	0	50	-1.0	-65.07	409.42	7.61	-57.46
CC1=CC(C)=CC(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017145958	0	41	-1.0	-65.68	339.11	7.64	-58.04
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017145959	0	43	-1.0	-67.13	351.02	5.10	-62.03
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017145960	0	42	-1.0	-66.87	350.41	4.54	-62.33
CC1=CC(F)=CC=C1CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145961	0	38	-1.0	-61.70	312.93	6.90	-54.80
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017145962	0	32	-1.0	-54.99	291.57	6.45	-48.54
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145963	0	48	-1.0	-65.56	373.61	6.91	-58.65
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300017145964	0	32	-1.0	-54.39	295.26	6.39	-48.00
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145965	0	41	-1.0	-57.32	330.30	4.03	-53.29
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017145966	0	32	-1.0	-58.56	288.90	5.76	-52.80
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300017145967	0	37	-1.0	-59.21	311.71	5.81	-53.40
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300017145968	0	35	-1.0	-65.34	317.24	6.91	-58.43
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(F)=C1F	REAL300017145969	0	35	-1.0	-65.05	307.86	6.41	-58.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300017145970	0	34	-1.0	-50.88	311.58	4.95	-45.93
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145971	0	48	-1.0	-67.27	372.09	7.80	-59.47
CCN(CC(C)C#N)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145972	0	40	-1.0	-61.31	303.82	5.22	-56.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300017145973	0	38	-1.0	-61.66	317.37	4.36	-57.30
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CS1	REAL300017145974	0	35	-1.0	-61.83	307.65	6.16	-55.67
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017145975	0	40	-1.0	-71.59	339.38	7.05	-64.54
CC1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300017145976	0	41	-1.0	-65.73	334.34	7.50	-58.23
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300017145977	0	38	-1.0	-66.71	341.00	3.37	-63.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300017145978	0	35	-1.0	-53.88	310.07	4.54	-49.34
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145979	0	42	-1.0	-57.99	339.07	4.24	-53.75
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300017145980	0	36	-1.0	-62.68	326.31	2.84	-59.84
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300017145981	0	43	-1.0	-64.45	353.33	6.91	-57.54
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300017145982	0	35	-1.0	-60.36	326.82	7.30	-53.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300017145983	0	40	-1.0	-54.40	341.37	4.00	-50.40
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300017145984	0	43	-1.0	-49.36	359.04	4.41	-44.95
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300017145985	0	38	-1.0	-69.55	324.47	6.77	-62.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300017145986	0	35	-1.0	-61.68	328.75	7.32	-54.36
CC1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1	REAL300017145987	0	38	-1.0	-67.31	320.65	6.97	-60.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300017145988	0	45	-1.0	-65.09	360.94	8.87	-56.22
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=NO1	REAL300017145989	0	43	-1.0	-67.53	352.05	6.26	-61.27
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300017145990	0	41	-1.0	-68.50	331.36	2.65	-65.85
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017145991	0	41	-1.0	-60.66	340.77	7.99	-52.67
CC1=C(CCS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])SC=N1	REAL300017145992	0	37	-1.0	-62.52	320.96	4.79	-57.73
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300017145993	0	32	-1.0	-57.12	297.91	6.53	-50.59
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300017145994	0	38	-1.0	-63.77	304.92	7.54	-56.23
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300017145995	0	37	-1.0	-64.89	314.59	7.42	-57.47
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300017145996	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	REAL300017145997	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-]	REAL300017145998	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	REAL300017145999	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	REAL300017146000	0	47	-1.0	-60.40	360.55	8.22	-52.18
CC1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300017146072	0	38	-1.0	-66.53	323.04	7.03	-59.50
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300017146073	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	REAL300017146074	0	38	-1.0	-54.63	336.11	6.19	-48.44
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017146075	0	44	-1.0	-61.53	354.73	6.87	-54.66
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017146076	0	50	-1.0	-60.50	357.21	7.07	-53.43
CC1=NC2=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=CC=C2C=C1	REAL300017146077	0	40	-1.0	-57.57	325.63	6.35	-51.22
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017146078	0	40	-1.0	-73.53	336.98	7.48	-66.05
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017146079	0	43	-1.0	-50.07	340.11	3.13	-46.94
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146080	0	46	-1.0	-52.53	386.10	6.00	-46.53
CCCN1C=NC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146081	0	38	-1.0	-62.83	320.31	6.34	-56.49
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017146082	0	33	-1.0	-55.15	314.06	6.37	-48.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C#N)SC=C1	REAL300017146083	0	30	-1.0	-59.97	276.60	4.78	-55.19
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCC(F)CC1	REAL300017146084	0	41	-1.0	-63.25	319.24	6.69	-56.56
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1Cl	REAL300017146085	0	35	-1.0	-57.62	305.60	6.52	-51.10
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017146086	0	38	-1.0	-71.75	318.17	6.42	-65.33
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)=N1	REAL300017146087	0	41	-1.0	-59.60	356.85	6.92	-52.68
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1F	REAL300017146088	0	38	-1.0	-58.02	343.26	6.58	-51.44
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146089	0	41	-1.0	-66.01	348.70	6.73	-59.28
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146090	0	38	-1.0	-62.89	327.34	7.31	-55.58
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017146091	0	35	-1.0	-61.35	313.81	6.78	-54.57
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017146092	0	32	-1.0	-54.57	305.52	6.49	-48.08
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146093	0	39	-1.0	-66.38	323.39	2.81	-63.57
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146094	0	57	-1.0	-59.87	450.97	10.38	-49.49
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146095	0	47	-1.0	-64.41	379.98	7.77	-56.64
CCC1CCN(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300017146096	0	43	-1.0	-59.71	323.03	5.66	-54.05
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017146097	0	38	-1.0	-62.59	324.20	7.18	-55.41
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300017146098	0	38	-1.0	-66.16	322.88	7.10	-59.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017146099	0	38	-1.0	-64.85	331.18	7.49	-57.36
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146100	0	36	-1.0	-59.79	322.82	6.04	-53.75
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])C(=O)NCCC2	REAL300017146101	0	47	-1.0	-76.64	371.85	4.45	-72.19
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])S2)C1	REAL300017146102	0	43	-1.0	-48.70	352.46	5.24	-43.46
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017146103	0	39	-1.0	-49.84	336.80	7.23	-42.61
COC1CCN(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300017146104	0	41	-1.0	-59.16	316.49	3.45	-55.71
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017146105	0	35	-1.0	-60.46	316.51	6.86	-53.60
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146106	0	45	-1.0	-61.12	360.29	7.09	-54.03
CC(CC(F)(F)F)CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146107	0	37	-1.0	-66.06	308.58	5.74	-60.32
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017146108	0	39	-1.0	-60.45	326.54	7.06	-53.39
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=C2)=N1	REAL300017146109	0	44	-1.0	-66.99	355.91	5.08	-61.91
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146110	0	36	-1.0	-59.86	302.36	5.45	-54.41
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])O1	REAL300017146111	0	38	-1.0	-51.79	322.32	4.98	-46.81
CCC1=NC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1CC1CC1	REAL300017146112	0	45	-1.0	-64.17	371.85	7.50	-56.67
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2C1	REAL300017146113	0	43	-1.0	-69.74	353.92	5.94	-63.80
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017146114	0	35	-1.0	-43.63	302.06	4.28	-39.35
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017146115	0	35	-1.0	-61.17	314.76	4.52	-56.65
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(C)C	REAL300017146116	0	51	-1.0	-60.74	401.95	8.49	-52.25
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017146117	0	40	-1.0	-55.71	326.22	7.52	-48.19
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146118	0	39	-1.0	-46.96	307.44	4.46	-42.50
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017146119	0	45	-1.0	-48.36	366.69	7.00	-41.36
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017146120	0	46	-1.0	-58.79	387.96	8.80	-49.99
COC(CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300017146121	0	42	-1.0	-64.85	354.90	6.39	-58.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017146122	0	44	-1.0	-62.94	354.70	6.86	-56.08
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300017146123	0	40	-1.0	-59.12	349.17	4.23	-54.89
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=CC=C12	REAL300017146124	0	44	-1.0	-61.78	354.94	8.06	-53.72
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300017146125	0	43	-1.0	-61.03	354.20	4.55	-56.48
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017146126	0	41	-1.0	-42.88	314.13	6.16	-36.72
CCOC1(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CCOCC1	REAL300017146127	0	46	-1.0	-64.89	347.77	4.25	-60.64
CCOC(CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])C1CC1	REAL300017146128	0	42	-1.0	-64.74	336.88	5.79	-58.95
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1F	REAL300017146129	0	38	-1.0	-58.18	332.94	6.14	-52.04
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=C(Cl)C=C21	REAL300017146130	0	43	-1.0	-64.10	355.69	6.83	-57.27
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146131	0	35	-1.0	-54.32	315.11	4.14	-50.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017146132	0	43	-1.0	-60.14	370.47	9.53	-50.61
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146133	0	35	-1.0	-58.81	304.75	6.61	-52.20
CC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Br	REAL300017146134	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-]	REAL300017146135	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	REAL300017146136	0	40	-1.0	-46.49	321.00	2.35	-44.14
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146137	0	36	-1.0	-58.61	321.31	5.36	-53.25
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017146138	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-]	REAL300017146139	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	REAL300017146140	0	39	-1.0	-49.57	322.66	2.21	-47.36
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146141	0	45	-1.0	-57.98	354.37	6.74	-51.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017146142	0	39	-1.0	-65.32	334.47	5.97	-59.35
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300017146143	0	59	-1.0	-61.27	452.00	9.78	-51.49
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017146144	0	40	-1.0	-64.71	346.01	7.78	-56.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017146145	0	32	-1.0	-54.52	297.49	6.11	-48.41
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017146146	0	35	-1.0	-65.00	305.66	6.36	-58.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017146147	0	39	-1.0	-56.11	327.10	2.59	-53.52
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300017146148	0	41	-1.0	-59.37	346.39	6.40	-52.97
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146149	0	35	-1.0	-57.60	295.85	6.47	-51.13
COCC1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146150	0	39	-1.0	-48.72	306.29	4.52	-44.20
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1Br	REAL300017146151	0	36	-1.0	-57.20	320.41	5.42	-51.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017146152	0	35	-1.0	-63.74	334.21	2.40	-61.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017146153	0	35	-1.0	-51.50	306.97	3.66	-47.84
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2O1	REAL300017146154	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	REAL300017146155	0	40	-1.0	-61.39	349.46	2.22	-59.17
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300017146156	0	43	-1.0	-60.31	370.92	3.11	-57.20
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1OC	REAL300017146157	0	49	-1.0	-66.57	401.50	4.60	-61.97
CCC1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146158	0	41	-1.0	-63.77	336.83	7.70	-56.07
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146159	0	36	-1.0	-61.90	307.97	5.18	-56.72
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017146160	0	47	-1.0	-63.45	384.23	5.88	-57.57
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146161	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	REAL300017146162	0	34	-1.0	-56.32	318.77	5.35	-50.97
CC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1Br	REAL300017146163	0	37	-1.0	-57.25	329.53	6.56	-50.69
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146164	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	REAL300017146165	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	REAL300017146166	0	39	-1.0	-57.68	342.25	6.34	-51.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017146167	0	46	-1.0	-68.07	389.42	5.00	-63.07
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017146168	0	35	-1.0	-66.25	304.55	6.31	-59.94
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146169	0	45	-1.0	-59.45	377.17	7.28	-52.17
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCOC(C)(C)C1	REAL300017146170	0	41	-1.0	-59.15	316.64	3.61	-55.54
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300017146171	0	42	-1.0	-58.71	340.98	6.26	-52.45
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146172	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	REAL300017146173	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	REAL300017146174	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	REAL300017146175	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	REAL300017146176	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	REAL300017146177	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	REAL300017146178	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	REAL300017146179	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	REAL300017146180	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	REAL300017146181	0	43	-1.0	-62.93	355.61	4.94	-57.99
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300017146182	0	46	-1.0	-63.10	375.55	5.69	-57.41
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300017146183	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	REAL300017146184	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	REAL300017146185	0	47	-1.0	-62.60	375.09	4.93	-57.67
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146186	0	42	-1.0	-67.85	343.40	5.30	-62.55
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(Br)=C1	REAL300017146187	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	REAL300017146188	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-]	REAL300017146189	0	38	-1.0	-54.51	326.76	6.87	-47.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017146190	0	33	-1.0	-55.29	306.68	6.25	-49.04
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146191	0	35	-1.0	-57.14	298.49	6.57	-50.57
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300017146192	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	REAL300017146193	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-]	REAL300017146194	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	REAL300017146195	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	REAL300017146196	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	REAL300017146197	0	48	-1.0	-62.13	383.16	7.20	-54.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017146198	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	REAL300017146199	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	REAL300017146200	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	REAL300017146201	0	35	-1.0	-50.82	304.43	4.40	-46.42
CC1=NC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017146202	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-]	REAL300017146203	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	REAL300017146204	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	REAL300017146205	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	REAL300017146206	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	REAL300017146207	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	REAL300017146208	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	REAL300017146209	0	42	-1.0	-64.46	367.39	5.00	-59.46
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146210	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-]	REAL300017146211	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	REAL300017146212	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	REAL300017146213	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-]	REAL300017146214	0	34	-1.0	-65.50	297.25	7.30	-58.20
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146215	0	40	-1.0	-69.26	329.56	7.18	-62.08
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017146216	0	35	-1.0	-56.35	298.41	5.41	-50.94
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(N)=O	REAL300017146217	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-]	REAL300017146218	0	35	-1.0	-57.29	293.93	6.46	-50.83
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146219	0	43	-1.0	-70.90	347.60	6.02	-64.88
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1C	REAL300017146220	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	REAL300017146221	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	REAL300017146222	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	REAL300017146223	0	41	-1.0	-64.43	348.74	6.93	-57.50
COC(=O)C1CCN(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300017146224	0	43	-1.0	-62.16	338.63	5.03	-57.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017146225	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	REAL300017146226	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	REAL300017146227	0	38	-1.0	-51.29	326.29	5.33	-45.96
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146228	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	REAL300017146229	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	REAL300017146230	0	36	-1.0	-70.55	305.74	5.73	-64.82
CCOC(=O)CCCS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146231	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	REAL300017146232	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-]	REAL300017146233	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-]	REAL300017146234	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	REAL300017146235	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	REAL300017146236	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	REAL300017146237	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	REAL300017146238	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	REAL300017146239	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	REAL300017146240	0	40	-1.0	-60.95	333.49	4.64	-56.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017146241	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	REAL300017146242	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	REAL300017146243	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-]	REAL300017146244	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	REAL300017146245	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-]	REAL300017146246	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	REAL300017146247	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	REAL300017146248	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-]	REAL300017146249	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	REAL300017146250	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	REAL300017146251	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	REAL300017146252	0	40	-1.0	-66.62	333.21	6.69	-59.93
CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300017146253	0	45	-1.0	-58.63	354.82	4.16	-54.47
COC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017146254	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	REAL300017146255	0	42	-1.0	-58.67	355.13	6.99	-51.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017146256	0	35	-1.0	-69.68	293.38	3.93	-65.75
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146257	0	54	-1.0	-60.68	404.56	8.26	-52.42
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300017146258	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	REAL300017146259	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	REAL300017146260	0	38	-1.0	-67.44	335.59	2.99	-64.45
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300017146261	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-]	REAL300017146262	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	REAL300017146263	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	REAL300017146264	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	REAL300017146265	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	REAL300017146266	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	REAL300017146267	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	REAL300017146268	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-]	REAL300017146269	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	REAL300017146270	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	REAL300017146271	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	REAL300017146272	0	42	-1.0	-72.15	350.47	6.05	-66.10
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017146273	0	38	-1.0	-65.00	338.12	6.04	-58.96
COC(=O)C1=CSC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146274	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	REAL300017146275	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=C1Cl	REAL300017146276	0	38	-1.0	-56.37	337.79	6.48	-49.89
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1C	REAL300017146277	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	REAL300017146278	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	REAL300017146279	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	REAL300017146280	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	REAL300017146281	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	REAL300017146282	0	36	-1.0	-56.47	327.01	6.91	-49.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300017146283	0	37	-1.0	-61.15	306.11	4.73	-56.42
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017146284	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	REAL300017146285	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	REAL300017146286	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-]	REAL300017146287	0	37	-1.0	-51.22	322.84	4.95	-46.27
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(F)C=C1F	REAL300017146288	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-]	REAL300017146289	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	REAL300017146290	0	44	-1.0	-60.94	360.77	6.97	-53.97
CCCCCCN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(=O)NC1=O	REAL300017146291	0	50	-1.0	-58.42	405.61	6.33	-52.09
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2F)N=C1	REAL300017146292	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	REAL300017146293	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-]	REAL300017146294	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	REAL300017146295	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-]	REAL300017146296	0	37	-1.0	-61.80	320.72	6.94	-54.86
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300017146297	0	29	-1.0	-48.49	269.26	4.30	-44.19
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300017146298	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	REAL300017146299	0	29	-1.0	-54.79	293.04	5.55	-49.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017146300	0	35	-1.0	-58.12	315.64	6.96	-51.16
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017146301	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	REAL300017146302	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	REAL300017146303	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	REAL300017146304	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	REAL300017146305	0	38	-1.0	-51.15	318.03	7.33	-43.82
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017146306	0	43	-1.0	-47.49	367.79	3.68	-43.81
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1C	REAL300017146307	0	42	-1.0	-58.25	345.89	5.76	-52.49
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2O1	REAL300017146308	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	REAL300017146309	0	38	-1.0	-61.28	335.59	2.99	-58.29
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300017146310	0	41	-1.0	-56.35	354.65	4.54	-51.81
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146311	0	45	-1.0	-65.31	377.53	7.01	-58.30
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])SC2=CC=CC(F)=C12	REAL300017146312	0	38	-1.0	-63.68	332.66	7.64	-56.04
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017146313	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	REAL300017146314	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	REAL300017146315	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-]	REAL300017146316	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-]	REAL300017146317	0	37	-1.0	-62.95	318.55	6.99	-55.96
CSC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300017146318	0	36	-1.0	-57.53	325.69	6.91	-50.62
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])N=C1Cl	REAL300017146319	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	REAL300017146320	0	35	-1.0	-60.16	305.44	5.99	-54.17
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017146321	0	44	-1.0	-61.67	373.25	8.07	-53.60
CN(C)C1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146322	0	40	-1.0	-60.21	329.62	6.29	-53.92
CC1=NN2C=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=NC2=C1Cl	REAL300017146323	0	37	-1.0	-54.68	332.85	5.46	-49.22
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146324	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-]	REAL300017146325	0	44	-1.0	-60.31	339.70	5.64	-54.67
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C12	REAL300017146326	0	39	-1.0	-41.45	323.74	2.43	-39.02
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017146327	0	37	-1.0	-52.51	320.54	6.69	-45.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017146328	0	38	-1.0	-59.58	337.66	8.32	-51.26
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146329	0	38	-1.0	-52.06	316.61	6.46	-45.60
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017146330	0	35	-1.0	-68.39	294.56	4.22	-64.17
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017146331	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	REAL300017146332	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	REAL300017146333	0	31	-1.0	-52.85	289.12	4.41	-48.44
COC(=O)C1CCCCC1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146334	0	44	-1.0	-72.70	339.86	6.89	-65.81
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)CC1	REAL300017146335	0	45	-1.0	-63.88	368.49	8.06	-55.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300017146336	0	39	-1.0	-60.76	310.46	5.40	-55.36
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300017146337	0	36	-1.0	-61.07	329.03	7.01	-54.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017146338	0	38	-1.0	-56.75	338.78	3.50	-53.25
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146339	0	36	-1.0	-60.12	322.81	6.03	-54.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017146340	0	41	-1.0	-56.83	328.85	8.04	-48.79
CCC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300017146341	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	REAL300017146342	0	49	-1.0	-64.55	384.50	7.40	-57.15
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1F	REAL300017146343	0	39	-1.0	-57.29	312.08	5.29	-52.00
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017146344	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	REAL300017146345	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	REAL300017146346	0	43	-1.0	-64.72	369.80	6.41	-58.31
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146347	0	40	-1.0	-49.18	338.23	7.04	-42.14
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CCCCC1	REAL300017146348	0	42	-1.0	-74.68	325.19	6.42	-68.26
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C)CCCCC1	REAL300017146349	0	44	-1.0	-64.59	322.25	7.03	-57.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017146350	0	41	-1.0	-49.31	326.98	6.21	-43.10
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017146351	0	35	-1.0	-51.84	300.83	3.49	-48.35
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1F	REAL300017146352	0	36	-1.0	-57.68	306.21	4.83	-52.85
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146353	0	43	-1.0	-55.41	354.22	4.97	-50.44
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146354	0	46	-1.0	-53.22	378.90	6.04	-47.18
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146355	0	41	-1.0	-49.52	311.16	6.43	-43.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017146356	0	46	-1.0	-50.68	378.36	8.20	-42.48
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2O1	REAL300017146357	0	47	-1.0	-57.96	393.75	8.12	-49.84
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146358	0	44	-1.0	-70.02	354.46	7.53	-62.49
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017146359	0	32	-1.0	-52.04	298.50	6.32	-45.72
CC1=C(Cl)SC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146360	0	32	-1.0	-42.17	291.18	4.99	-37.18
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1	REAL300017146361	0	36	-1.0	-59.67	303.22	4.76	-54.91
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300017146362	0	40	-1.0	-76.42	318.81	8.18	-68.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017146363	0	38	-1.0	-63.06	331.09	7.21	-55.85
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017146364	0	42	-1.0	-44.67	345.19	7.31	-37.36
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146365	0	40	-1.0	-65.36	337.19	3.71	-61.65
CN(C)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146366	0	40	-1.0	-61.86	319.50	5.80	-56.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017146367	0	38	-1.0	-47.83	310.60	5.31	-42.52
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017146369	0	35	-1.0	-61.70	302.35	6.30	-55.40
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017146370	0	35	-1.0	-54.88	322.94	6.87	-48.01
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017146371	0	35	-1.0	-55.57	312.51	6.46	-49.11
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146372	0	35	-1.0	-60.04	313.21	6.72	-53.32
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146373	0	43	-1.0	-58.91	341.40	3.83	-55.08
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146374	0	36	-1.0	-64.68	299.06	6.13	-58.55
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146375	0	43	-1.0	-66.07	346.47	4.43	-61.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017146376	0	44	-1.0	-48.66	358.59	4.49	-44.17
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017146377	0	38	-1.0	-51.68	330.92	6.18	-45.50
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017146378	0	42	-1.0	-59.31	361.64	4.83	-54.48
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017146379	0	43	-1.0	-68.89	369.35	7.26	-61.63
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(OC)=C1	REAL300017146380	0	42	-1.0	-60.56	350.62	6.05	-54.51
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146381	0	35	-1.0	-58.41	304.74	6.61	-51.80
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017146382	0	40	-1.0	-55.68	317.07	6.37	-49.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017146383	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	REAL300017146384	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	REAL300017146385	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	REAL300017146386	0	37	-1.0	-65.56	318.38	5.61	-59.95
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1	REAL300017146387	0	36	-1.0	-63.36	306.18	4.93	-58.43
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1	REAL300017146388	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	REAL300017146389	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-]	REAL300017146390	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	REAL300017146391	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	REAL300017146392	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	REAL300017146393	0	44	-1.0	-59.15	368.21	7.81	-51.34
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146394	0	42	-1.0	-69.16	347.04	5.13	-64.03
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017146395	0	38	-1.0	-66.45	335.01	7.31	-59.14
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146396	0	43	-1.0	-63.58	339.59	7.22	-56.36
CCN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])N=C1C	REAL300017146397	0	38	-1.0	-50.13	308.47	4.37	-45.76
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017146398	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	REAL300017146399	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	REAL300017146400	0	37	-1.0	-60.79	299.94	5.62	-55.17
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017146401	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	REAL300017146402	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	REAL300017146403	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	REAL300017146404	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	REAL300017146405	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	REAL300017146406	0	40	-1.0	-57.17	336.90	5.17	-52.00
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017146407	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	REAL300017146408	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	REAL300017146409	0	41	-1.0	-63.44	351.67	8.27	-55.17
COCC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146410	0	39	-1.0	-64.11	325.22	5.15	-58.96
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017146411	0	34	-1.0	-61.23	306.65	6.55	-54.68
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300017146412	0	41	-1.0	-52.46	354.71	5.50	-46.96
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146413	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	REAL300017146414	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	REAL300017146415	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	REAL300017146416	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	REAL300017146417	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	REAL300017146418	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	REAL300017146451	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	REAL300017146452	0	40	-1.0	-55.83	327.97	5.53	-50.30
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017146453	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-]	REAL300017146454	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	REAL300017146455	0	35	-1.0	-62.27	320.99	7.15	-55.12
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017146456	0	33	-1.0	-55.38	297.12	6.17	-49.21
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300017146457	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	REAL300017146458	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	REAL300017146459	0	36	-1.0	-57.92	321.89	5.64	-52.28
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146460	0	44	-1.0	-43.66	312.97	7.61	-36.05
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146461	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	REAL300017146462	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-]	REAL300017146463	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	REAL300017146464	0	43	-1.0	-57.65	377.30	8.87	-48.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017146465	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	REAL300017146466	0	38	-1.0	-58.79	356.56	6.75	-52.04
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300017146467	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	REAL300017146468	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-]	REAL300017146469	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-]	REAL300017146470	0	44	-1.0	-61.69	342.76	5.79	-55.90
CCOC(=O)N1CCC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300017146471	0	46	-1.0	-68.38	362.42	5.38	-63.00
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)=CO1	REAL300017146472	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	REAL300017146473	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	REAL300017146474	0	35	-1.0	-55.62	294.59	5.97	-49.65
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017146475	0	35	-1.0	-61.34	296.18	4.09	-57.25
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017146476	0	40	-1.0	-61.11	323.85	6.06	-55.05
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146477	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	REAL300017146478	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	REAL300017146479	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	REAL300017146480	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	REAL300017146481	0	42	-1.0	-47.77	344.90	6.40	-41.37
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017146482	0	50	-1.0	-48.35	402.40	6.83	-41.52
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017146483	0	50	-1.0	-64.73	408.66	7.59	-57.14
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017146484	0	47	-1.0	-62.44	387.41	6.59	-55.85
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017146485	0	34	-1.0	-37.98	301.45	5.14	-32.84
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C21	REAL300017146486	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)=C1Br	REAL300017146487	0	32	-1.0	-56.27	293.39	6.33	-49.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017146488	0	32	-1.0	-54.65	306.62	6.52	-48.13
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146489	0	42	-1.0	-52.73	323.24	6.61	-46.12
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1C#N	REAL300017146490	0	36	-1.0	-58.10	310.45	6.34	-51.76
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300017146491	0	38	-1.0	-57.15	329.77	6.13	-51.02
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146492	0	36	-1.0	-64.77	313.02	5.95	-58.82
COC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146493	0	39	-1.0	-65.79	307.41	5.26	-60.53
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017146494	0	33	-1.0	-55.11	310.96	6.34	-48.77
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300017146495	0	39	-1.0	-62.89	323.23	5.79	-57.10
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017146496	0	38	-1.0	-43.64	338.09	5.61	-38.03
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300017146497	0	39	-1.0	-62.20	329.29	4.41	-57.79
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1OC	REAL300017146498	0	40	-1.0	-58.42	335.07	4.99	-53.43
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017146499	0	36	-1.0	-58.40	315.95	5.09	-53.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017146500	0	35	-1.0	-56.90	314.82	6.50	-50.40
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300017146501	0	43	-1.0	-62.16	362.80	2.42	-59.74
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2S1	REAL300017146502	0	44	-1.0	-61.34	384.67	8.47	-52.87
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017146503	0	36	-1.0	-68.78	312.40	6.59	-62.19
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(Br)=C1	REAL300017146504	0	36	-1.0	-57.41	307.92	5.17	-52.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017146505	0	37	-1.0	-62.69	326.95	1.05	-61.64
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])OCO2	REAL300017146506	0	38	-1.0	-62.54	303.87	4.62	-57.92
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146507	0	38	-1.0	-45.25	314.25	5.94	-39.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017146508	0	32	-1.0	-54.75	293.21	6.29	-48.46
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146509	0	38	-1.0	-52.46	298.01	6.91	-45.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017146510	0	32	-1.0	-57.82	295.21	6.39	-51.43
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])OCC(=O)N2	REAL300017146511	0	42	-1.0	-65.58	347.08	2.67	-62.91
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)S1	REAL300017146512	0	30	-1.0	-55.46	281.08	4.98	-50.48
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017146513	0	33	-1.0	-63.14	293.52	4.01	-59.13
COC1=CN=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146514	0	35	-1.0	-59.35	295.19	2.92	-56.43
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017146515	0	32	-1.0	-58.82	294.14	6.07	-52.75
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1OC	REAL300017146516	0	42	-1.0	-60.58	352.53	6.16	-54.42
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017146517	0	36	-1.0	-62.89	321.75	2.73	-60.16
CCOC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146518	0	39	-1.0	-61.05	321.52	5.65	-55.40
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=C2O1	REAL300017146519	0	43	-1.0	-66.70	346.45	6.86	-59.84
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017146520	0	36	-1.0	-58.89	327.15	6.62	-52.27
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017146558	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-]	REAL300017146559	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	REAL300017146560	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	REAL300017146561	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-]	REAL300017146562	0	37	-1.0	-55.22	317.31	6.75	-48.47
CC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146563	0	35	-1.0	-59.93	299.90	6.54	-53.39
COC(=O)C1=COC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146564	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	REAL300017146565	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	REAL300017146566	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	REAL300017146567	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	REAL300017146568	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	REAL300017146569	0	42	-1.0	-77.09	341.46	5.09	-72.00
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCC(F)(F)F	REAL300017146570	0	34	-1.0	-66.30	297.15	5.21	-61.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017146571	0	37	-1.0	-64.88	317.29	5.60	-59.28
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017146572	0	38	-1.0	-61.02	310.07	3.21	-57.81
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C21	REAL300017146573	0	44	-1.0	-63.10	344.77	6.01	-57.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017146574	0	34	-1.0	-56.52	305.68	4.73	-51.79
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146575	0	35	-1.0	-60.23	297.85	6.44	-53.79
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146576	0	40	-1.0	-69.76	321.26	5.86	-63.90
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN=C1Cl	REAL300017146577	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	REAL300017146578	0	38	-1.0	-62.00	321.88	4.51	-57.49
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017146579	0	31	-1.0	-36.63	283.84	4.58	-32.05
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017146580	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	REAL300017146581	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	REAL300017146582	0	40	-1.0	-62.06	326.46	3.97	-58.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017146583	0	33	-1.0	-60.79	297.19	6.17	-54.62
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300017146584	0	38	-1.0	-69.72	318.69	6.79	-62.93
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017146585	0	40	-1.0	-60.05	312.08	6.27	-53.78
CCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1CC	REAL300017146586	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-]	REAL300017146587	0	40	-1.0	-52.39	316.83	7.37	-45.02
CC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Cl	REAL300017146588	0	35	-1.0	-60.16	295.33	6.37	-53.79
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(C)O1	REAL300017146589	0	38	-1.0	-62.97	325.48	4.86	-58.11
CC1=C(C)SC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146590	0	35	-1.0	-45.62	294.38	5.13	-40.49
CC1=CC=CC(F)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146591	0	35	-1.0	-66.61	282.27	6.12	-60.49
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017146592	0	33	-1.0	-55.71	287.42	3.41	-52.30
CCC1=NC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017146593	0	34	-1.0	-42.58	292.31	3.35	-39.23
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017146594	0	38	-1.0	-54.58	315.97	6.06	-48.52
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146595	0	34	-1.0	-46.41	292.99	3.20	-43.21
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])SC=N1	REAL300017146596	0	34	-1.0	-73.32	307.19	3.73	-69.59
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC(C)=C1F	REAL300017146597	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	REAL300017146598	0	40	-1.0	-75.64	329.70	3.88	-71.76
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017146599	0	43	-1.0	-59.88	330.75	3.38	-56.50
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1C	REAL300017146600	0	39	-1.0	-58.23	324.08	4.83	-53.40
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017146601	0	31	-1.0	-55.59	282.37	4.15	-51.44
CC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1F	REAL300017146602	0	35	-1.0	-62.48	293.86	6.11	-56.37
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146603	0	43	-1.0	-59.22	352.69	7.26	-51.96
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017146604	0	35	-1.0	-64.09	315.98	6.80	-57.29
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017146605	0	35	-1.0	-62.92	318.91	6.88	-56.04
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017146606	0	32	-1.0	-65.10	280.78	6.04	-59.06
CC1=CC(F)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146607	0	35	-1.0	-60.57	298.32	6.18	-54.39
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN=C1Cl	REAL300017146608	0	35	-1.0	-40.52	303.35	2.67	-37.85
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017146609	0	36	-1.0	-65.64	320.11	6.67	-58.97
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300017146610	0	37	-1.0	-55.95	321.22	4.28	-51.67
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017146611	0	31	-1.0	-57.81	280.95	4.53	-53.28
COCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146612	0	39	-1.0	-61.85	325.72	5.18	-56.67
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146613	0	37	-1.0	-60.58	316.67	5.78	-54.80
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146614	0	38	-1.0	-60.72	338.99	6.54	-54.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017146615	0	35	-1.0	-59.13	308.22	3.29	-55.84
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300017146616	0	38	-1.0	-57.59	319.21	3.04	-54.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017146617	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	REAL300017146618	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	REAL300017146619	0	46	-1.0	-78.36	363.24	7.11	-71.25
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017146620	0	35	-1.0	-61.98	295.54	4.20	-57.78
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146621	0	38	-1.0	-57.22	317.02	6.98	-50.24
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146622	0	42	-1.0	-73.36	356.63	2.90	-70.46
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2CC1	REAL300017146623	0	49	-1.0	-66.99	382.87	7.31	-59.68
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(F)(F)F	REAL300017146624	0	41	-1.0	-61.45	355.42	6.90	-54.55
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146625	0	41	-1.0	-60.35	336.66	7.69	-52.66
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017146626	0	35	-1.0	-59.54	301.97	6.69	-52.85
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017146627	0	35	-1.0	-56.15	300.13	7.06	-49.09
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146628	0	46	-1.0	-66.95	381.67	3.62	-63.33
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146629	0	45	-1.0	-71.78	372.34	6.98	-64.80
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1C	REAL300017146630	0	44	-1.0	-61.50	362.69	7.56	-53.94
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146631	0	44	-1.0	-67.93	368.97	7.78	-60.15
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1OC	REAL300017146632	0	43	-1.0	-60.41	363.40	5.41	-55.00
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(F)C=C1C	REAL300017146633	0	44	-1.0	-60.08	366.18	7.57	-52.51
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017146634	0	38	-1.0	-62.18	334.16	7.58	-54.60
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146635	0	41	-1.0	-66.27	350.35	7.03	-59.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017146636	0	42	-1.0	-65.05	344.31	8.85	-56.20
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146637	0	46	-1.0	-61.64	389.27	3.22	-58.42
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300017146638	0	35	-1.0	-63.20	310.10	6.79	-56.41
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1C	REAL300017146639	0	44	-1.0	-54.45	364.92	5.94	-48.51
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017146640	0	36	-1.0	-64.79	315.68	6.22	-58.57
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017146641	0	35	-1.0	-62.27	304.29	6.36	-55.91
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146642	0	34	-1.0	-54.02	289.77	4.58	-49.44
CC1=NC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(Br)N1C	REAL300017146643	0	35	-1.0	-64.45	316.75	4.90	-59.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017146644	0	33	-1.0	-52.83	293.57	4.28	-48.55
COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146645	0	40	-1.0	-58.30	319.26	5.42	-52.88
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146646	0	45	-1.0	-67.95	364.91	6.31	-61.64
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1	REAL300017146647	0	38	-1.0	-58.07	328.50	6.12	-51.95
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146648	0	43	-1.0	-64.61	366.32	5.05	-59.56
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300017146649	0	47	-1.0	-61.73	382.93	8.27	-53.46
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146650	0	44	-1.0	-63.60	374.32	4.67	-58.93
COC(=O)C1(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CCCC1	REAL300017146651	0	44	-1.0	-56.07	338.05	6.57	-49.50
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146652	0	39	-1.0	-58.64	339.31	5.60	-53.04
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300017146653	0	38	-1.0	-56.64	324.95	6.96	-49.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017146654	0	43	-1.0	-59.43	376.22	8.83	-50.60
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146655	0	41	-1.0	-68.27	347.11	6.87	-61.40
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300017146656	0	42	-1.0	-66.00	321.15	6.94	-59.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017146657	0	38	-1.0	-64.46	334.66	7.55	-56.91
COC(=O)C1(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CCC1	REAL300017146658	0	41	-1.0	-48.72	329.50	5.35	-43.37
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017146659	0	32	-1.0	-53.97	301.32	5.62	-48.35
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146660	0	45	-1.0	-66.42	377.35	5.73	-60.69
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146661	0	48	-1.0	-64.48	399.19	6.66	-57.82
COC(=O)C1(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CCCCC1	REAL300017146662	0	47	-1.0	-68.60	350.05	7.57	-61.03
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146663	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	REAL300017146664	0	34	-1.0	-72.68	301.18	4.24	-68.44
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017146665	0	36	-1.0	-62.83	301.74	5.36	-57.47
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])=C2	REAL300017146666	0	45	-1.0	-65.35	367.26	9.21	-56.14
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017146667	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	REAL300017146668	0	35	-1.0	-62.79	318.74	6.91	-55.88
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1F	REAL300017146669	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-]	REAL300017146670	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	REAL300017146671	0	44	-1.0	-63.78	336.45	7.01	-56.77
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017146672	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	REAL300017146673	0	41	-1.0	-65.71	338.92	7.85	-57.86
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(C(N)=O)O1	REAL300017146675	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-]	REAL300017146679	0	41	-1.0	-50.42	315.42	6.88	-43.54
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017146680	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	REAL300017146681	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	REAL300017146682	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-]	REAL300017146683	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	REAL300017146684	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	REAL300017146685	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	REAL300017146686	0	39	-1.0	-61.28	335.03	5.74	-55.54
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017146687	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	REAL300017146688	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	REAL300017146689	0	46	-1.0	-81.27	371.29	7.39	-73.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017146690	0	39	-1.0	-51.13	312.87	4.28	-46.85
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300017146691	0	39	-1.0	-48.93	313.43	4.59	-44.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017146692	0	42	-1.0	-47.85	335.51	5.30	-42.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017146700	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	REAL300017146701	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	REAL300017146702	0	29	-1.0	-46.53	267.90	4.15	-42.38
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300017146703	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	REAL300017146704	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	REAL300017146705	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	REAL300017146706	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	REAL300017146707	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-]	REAL300017146708	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	REAL300017146709	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-]	REAL300017146710	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	REAL300017146711	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	REAL300017146712	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	REAL300017146713	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-]	REAL300017146714	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	REAL300017146715	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	REAL300017146716	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	REAL300017146717	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	REAL300017146718	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	REAL300017146719	0	46	-1.0	-71.36	366.91	6.98	-64.38
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC=C1Cl	REAL300017146720	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-]	REAL300017146721	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	REAL300017146722	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-]	REAL300017146723	0	37	-1.0	-69.97	307.57	5.44	-64.53
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017146724	0	41	-1.0	-59.42	311.32	5.32	-54.10
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017146725	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	REAL300017146726	0	33	-1.0	-55.87	285.19	4.22	-51.65
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017146727	0	35	-1.0	-60.22	309.17	6.90	-53.32
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017146728	0	36	-1.0	-59.69	323.06	5.95	-53.74
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017146729	0	35	-1.0	-61.52	310.20	4.42	-57.10
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146730	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	REAL300017146731	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	REAL300017146732	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	REAL300017146733	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	REAL300017146734	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	REAL300017146735	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	REAL300017146736	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	REAL300017146737	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	REAL300017146738	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	REAL300017146739	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	REAL300017146741	0	39	-1.0	-50.35	318.20	4.44	-45.91
C[C@@]1(C(=O)[O-])CCCN1C(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017146742	0	34	-1.0	-58.96	305.46	9.44	-49.52
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017146743	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	REAL300017146744	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	REAL300017146745	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	REAL300017146746	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	REAL300017146748	0	38	-1.0	-50.72	313.17	6.43	-44.29
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCCC(C)(C)C1	REAL300017146749	0	43	-1.0	-61.73	324.53	5.78	-55.95
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017146750	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	REAL300017146751	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	REAL300017146752	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	REAL300017146753	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	REAL300017146754	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	REAL300017146755	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	REAL300017146756	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	REAL300017146757	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	REAL300017146758	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	REAL300017146759	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	REAL300017146760	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	REAL300017146761	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	REAL300017146762	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	REAL300017146763	0	33	-1.0	-60.82	287.24	5.64	-55.18
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146764	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	REAL300017146765	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	REAL300017146766	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-]	REAL300017146767	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	REAL300017146768	0	41	-1.0	-51.50	327.41	4.31	-47.19
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300017146769	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	REAL300017146770	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	REAL300017146771	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	REAL300017146772	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	REAL300017146773	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	REAL300017146774	0	32	-1.0	-38.17	294.45	4.92	-33.25
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(F)(F)CC1	REAL300017146775	0	37	-1.0	-58.49	296.43	4.59	-53.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017146776	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	REAL300017146777	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	REAL300017146778	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	REAL300017146779	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	REAL300017146780	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	REAL300017146781	0	38	-1.0	-45.50	327.43	5.81	-39.69
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017146782	0	38	-1.0	-59.38	312.03	5.87	-53.51
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300017146783	0	37	-1.0	-63.03	326.82	6.09	-56.94
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146784	0	42	-1.0	-57.76	366.85	6.22	-51.54
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017146785	0	41	-1.0	-68.53	344.17	5.46	-63.07
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017146786	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	REAL300017146787	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	REAL300017146788	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	REAL300017146789	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	REAL300017146790	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	REAL300017146791	0	39	-1.0	-60.36	322.98	7.57	-52.79
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017146792	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-]	REAL300017146793	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	REAL300017146794	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	REAL300017146795	0	35	-1.0	-47.55	316.16	1.27	-46.28
CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146796	0	46	-1.0	-60.16	339.27	6.35	-53.81
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146797	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	REAL300017146798	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	REAL300017146799	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	REAL300017146800	0	36	-1.0	-62.04	309.40	5.01	-57.03
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017146801	0	47	-1.0	-60.17	361.40	7.87	-52.30
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017146802	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	REAL300017146803	0	43	-1.0	-55.32	329.31	7.27	-48.05
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017146804	0	40	-1.0	-61.65	325.87	5.53	-56.12
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300017146805	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	REAL300017146806	0	42	-1.0	-64.27	347.08	6.12	-58.15
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146809	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	REAL300017146810	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	REAL300017146811	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	REAL300017146812	0	35	-1.0	-59.85	279.03	5.93	-53.92
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC(C)=C1Br	REAL300017146813	0	38	-1.0	-56.90	325.10	7.11	-49.79
CCN1N=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Cl	REAL300017146814	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	REAL300017146815	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	REAL300017146816	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	REAL300017146817	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	REAL300017146818	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	REAL300017146819	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	REAL300017146820	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	REAL300017146821	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-]	REAL300017146822	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	REAL300017146823	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	REAL300017146824	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	REAL300017146825	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	REAL300017146826	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	REAL300017146827	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	REAL300017146828	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	REAL300017146829	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	REAL300017146830	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	REAL300017146831	0	36	-1.0	-47.76	319.21	6.70	-41.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017146832	0	36	-1.0	-45.70	306.09	6.09	-39.61
COC(=O)C1CCCCN1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146833	0	43	-1.0	-67.52	328.77	6.08	-61.44
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300017146834	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	REAL300017146835	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	REAL300017146836	0	43	-1.0	-60.95	348.25	6.60	-54.35
COC(=O)C=CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017146837	0	42	-1.0	-63.02	356.74	7.32	-55.70
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=NN1	REAL300017146838	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	REAL300017146839	0	37	-1.0	-44.40	312.11	3.51	-40.89
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCC[C@@]1(C)C(=O)[O-])C2	REAL300017146840	0	49	-1.0	-62.31	329.35	8.98	-53.33
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017146841	0	44	-1.0	-60.25	329.22	5.90	-54.35
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146842	0	43	-1.0	-63.37	348.03	7.16	-56.21
C[C@@]1(C(=O)[O-])CCCN1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017146843	0	43	-1.0	-64.96	330.84	10.96	-54.00
C[C@@]1(C(=O)[O-])CCCN1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017146844	0	49	-1.0	-45.76	346.57	9.94	-35.82
CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300017146845	0	50	-1.0	-46.73	354.48	6.50	-40.23
CN(C(=O)N1CCC[C@@]1(C)C(=O)[O-])C1CCS(=O)(=O)C1	REAL300017146846	0	39	-1.0	-66.65	303.59	3.34	-63.31
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146847	0	51	-1.0	-61.39	380.44	8.55	-52.84
COC(=O)C1CN(C(=O)N2CCC[C@@]2(C)C(=O)[O-])CCO1	REAL300017146848	0	40	-1.0	-60.27	312.19	5.53	-54.74
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146849	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	REAL300017146850	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	REAL300017146851	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-]	REAL300017146852	0	38	-1.0	-48.14	304.50	4.50	-43.64
CN1C=CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300017146853	0	39	-1.0	-65.79	323.79	7.19	-58.60
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017146854	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	REAL300017146855	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	REAL300017146856	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	REAL300017146857	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-]	REAL300017146858	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	REAL300017146859	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	REAL300017146860	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	REAL300017146861	0	37	-1.0	-62.61	322.49	6.11	-56.50
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146862	0	40	-1.0	-50.22	322.78	4.38	-45.84
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017146863	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-]	REAL300017146864	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	REAL300017146865	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	REAL300017146866	0	33	-1.0	-59.14	310.28	4.49	-54.65
COCN1N=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146867	0	36	-1.0	-47.30	295.95	0.93	-46.37
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146868	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	REAL300017146869	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	REAL300017146870	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	REAL300017146871	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	REAL300017146872	0	38	-1.0	-59.81	333.10	8.22	-51.59
CC(=O)OC1CCN(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300017146873	0	40	-1.0	-62.01	328.79	4.58	-57.43
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017146874	0	42	-1.0	-58.68	358.41	9.31	-49.37
CCC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1Br	REAL300017146875	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	REAL300017146876	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	REAL300017146877	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	REAL300017146878	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	REAL300017146879	0	38	-1.0	-60.51	321.89	8.03	-52.48
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146880	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	REAL300017146881	0	39	-1.0	-51.04	303.52	6.58	-44.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C)(C)CC1	REAL300017146882	0	43	-1.0	-59.45	318.14	5.33	-54.12
CC(=O)OCC1CCN(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300017146883	0	46	-1.0	-64.36	362.27	6.09	-58.27
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146884	0	46	-1.0	-76.59	381.21	5.81	-70.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017146885	0	42	-1.0	-60.69	322.63	2.58	-58.11
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=N1	REAL300017146886	0	38	-1.0	-56.69	305.37	2.63	-54.06
COC1=NC=C(C)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146887	0	38	-1.0	-61.23	315.21	3.41	-57.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017146888	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-]	REAL300017146889	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	REAL300017146890	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	REAL300017146891	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-]	REAL300017146892	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	REAL300017146893	0	31	-1.0	-55.19	300.69	3.50	-51.69
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(C#N)C=CS1	REAL300017146894	0	30	-1.0	-68.57	276.02	4.60	-63.97
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017146895	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-]	REAL300017146896	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	REAL300017146897	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-]	REAL300017146898	0	35	-1.0	-53.22	304.18	6.78	-46.44
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300017146899	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	REAL300017146900	0	39	-1.0	-51.55	311.44	5.44	-46.11
COC1=NOC(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146901	0	35	-1.0	-65.65	301.87	1.83	-63.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300017146902	0	37	-1.0	-69.15	303.82	6.24	-62.91
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=NN1C(C)C	REAL300017146903	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	REAL300017146904	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	REAL300017146905	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	REAL300017146906	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	REAL300017146907	0	39	-1.0	-63.36	331.63	7.66	-55.70
C[C@@]1(C(=O)[O-])CCCN1C(=O)N1CCC(C(F)(F)F)CC1	REAL300017146908	0	39	-1.0	-41.88	285.86	6.64	-35.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017146909	0	36	-1.0	-59.72	318.47	5.85	-53.87
C[C@@]1(C(=O)[O-])CCCN1C(=O)N1CC=C(Br)CC1	REAL300017146910	0	34	-1.0	-59.94	278.26	7.11	-52.83
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017146911	0	35	-1.0	-62.38	305.84	6.33	-56.05
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146912	0	40	-1.0	-67.75	321.57	1.06	-66.69
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300017146913	0	39	-1.0	-59.43	301.11	3.52	-55.91
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC(C#N)CC1	REAL300017146914	0	38	-1.0	-62.54	304.26	4.71	-57.83
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017146916	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	REAL300017146917	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	REAL300017146918	0	36	-1.0	-55.88	319.72	5.25	-50.63
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017146919	0	39	-1.0	-58.14	338.00	6.51	-51.63
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C(F)F)=C1	REAL300017146920	0	39	-1.0	-47.44	316.81	5.15	-42.29
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146921	0	38	-1.0	-58.11	332.63	3.72	-54.39
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=NC=CC=C12	REAL300017146922	0	40	-1.0	-70.02	325.74	7.09	-62.93
C[C@@]1(C(=O)[O-])CCCN1C(=O)N1CC(OCC2=CC=CC=C2)C1	REAL300017146923	0	44	-1.0	-62.56	350.91	8.57	-53.99
CC(C)(C)OC(=O)NC1CN(C(=O)N2CCC[C@@]2(C)C(=O)[O-])C1	REAL300017146924	0	47	-1.0	-65.16	361.74	5.35	-59.81
CC(=O)OCC1CCN(C(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300017146925	0	45	-1.0	-47.68	325.53	7.32	-40.36
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300017146926	0	35	-1.0	-57.19	300.40	5.05	-52.14
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146928	0	45	-1.0	-53.22	353.55	6.92	-46.30
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(Cl)S1	REAL300017146929	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	REAL300017146930	0	39	-1.0	-59.55	340.73	6.34	-53.21
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2CCCCN2N=C1	REAL300017146931	0	39	-1.0	-63.45	310.40	4.59	-58.86
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(F)=CC(Cl)=C2)C1	REAL300017146936	0	33	-1.0	-44.74	308.87	3.70	-41.04
CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OCC2C3=CC=CC=C3C3=CC=CC=C32)C1	REAL300017146955	0	47	-1.0	-58.77	389.35	10.74	-48.03
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C1	REAL300017146956	0	38	-1.0	-51.40	336.33	-2.04	-53.44
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2=CC=CC=C2C#N)C1	REAL300017146957	0	37	-1.0	-71.62	330.41	4.97	-66.65
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C)=C(C)C([N+](=O)[O-])=C2)C1	REAL300017146958	0	41	-1.0	-43.62	346.80	4.83	-38.79
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)C1	REAL300017146959	0	41	-1.0	-65.90	341.29	5.68	-60.22
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300017146960	0	39	-1.0	-49.79	330.19	2.28	-47.51
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C=CC2=CC=CC=C2)C1	REAL300017146961	0	37	-1.0	-60.33	322.47	4.85	-55.48
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C)C(=O)N(C)C2=O)C1	REAL300017146962	0	39	-1.0	-72.17	336.00	2.60	-69.57
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)N(C)N=C2C)C1	REAL300017146963	0	39	-1.0	-61.14	323.16	2.90	-58.24
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)NN=C2C)C1	REAL300017146964	0	36	-1.0	-49.26	294.98	0.68	-48.58
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)C1	REAL300017146965	0	36	-1.0	-41.68	313.76	0.52	-41.16
COC1=CC=C(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])C=C1	REAL300017146966	0	37	-1.0	-59.94	318.13	3.25	-56.69
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300017146967	0	35	-1.0	-55.74	301.56	4.69	-51.05
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])C=C1	REAL300017146968	0	40	-1.0	-58.80	340.01	4.18	-54.62
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(F)C=C2F)C1	REAL300017146969	0	33	-1.0	-55.66	296.26	3.95	-51.71
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(F)C=C2)C1	REAL300017146970	0	33	-1.0	-56.52	295.05	4.02	-52.50
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(F)=C2)C1	REAL300017146971	0	33	-1.0	-44.08	292.12	3.18	-40.90
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)C1	REAL300017146972	0	45	-1.0	-47.92	340.26	5.49	-42.43
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)C=C(C)C=C2C)C1	REAL300017146973	0	42	-1.0	-58.71	333.43	5.99	-52.72
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)C1	REAL300017146974	0	48	-1.0	-63.87	372.40	6.79	-57.08
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)C1	REAL300017146975	0	33	-1.0	-44.22	313.99	3.99	-40.23
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(F)C(F)=C2)C1	REAL300017146976	0	33	-1.0	-46.10	294.78	3.14	-42.96
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Cl)=CC=C2Cl)C1	REAL300017146977	0	33	-1.0	-58.16	311.84	4.82	-53.34
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300017146978	0	36	-1.0	-50.04	324.78	4.13	-45.91
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300017146979	0	36	-1.0	-58.31	305.97	5.28	-53.03
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2F)C1	REAL300017146980	0	33	-1.0	-61.73	291.11	3.87	-57.86
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300017146981	0	36	-1.0	-40.35	337.65	4.54	-35.81
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300017146982	0	33	-1.0	-44.30	302.45	3.63	-40.67
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)C1	REAL300017146983	0	36	-1.0	-58.62	334.28	5.31	-53.31
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C(C)=O)C=C2)C1	REAL300017146984	0	38	-1.0	-44.58	322.61	3.40	-41.18
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C)=CC=C2C)C1	REAL300017146985	0	39	-1.0	-62.92	317.60	5.13	-57.79
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C)C(C)=C2)C1	REAL300017146986	0	39	-1.0	-48.64	320.50	4.20	-44.44
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C1	REAL300017146987	0	37	-1.0	-55.80	337.16	3.71	-52.09
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])=C1	REAL300017146988	0	42	-1.0	-52.19	379.11	5.21	-46.98
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C1	REAL300017146989	0	34	-1.0	-38.75	308.73	3.45	-35.30
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCC2CCOCC2)C1	REAL300017146990	0	43	-1.0	-64.89	346.62	3.22	-61.67
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)C=C(C)S2)C1	REAL300017146991	0	36	-1.0	-61.81	315.03	4.43	-57.38
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300017146992	0	42	-1.0	-48.18	350.50	4.73	-43.45
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C1	REAL300017146993	0	34	-1.0	-55.62	319.66	3.23	-52.39
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2=CC=C(C(F)F)C=C2)C1	REAL300017146994	0	39	-1.0	-65.31	348.21	5.46	-59.85
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)C1	REAL300017146995	0	36	-1.0	-67.06	331.95	2.70	-64.36
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2=C(C)C=CC=C2C)C1	REAL300017146996	0	42	-1.0	-63.22	343.44	5.90	-57.32
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300017146997	0	35	-1.0	-65.63	330.64	5.96	-59.67
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])=C(F)C=C1C	REAL300017146998	0	42	-1.0	-59.04	362.24	5.10	-53.94
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(F)C=CS2)C1	REAL300017146999	0	30	-1.0	-65.11	287.87	2.98	-62.13
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCC2CCOC2)C1	REAL300017147000	0	40	-1.0	-62.81	328.86	2.55	-60.26
CC1=CC=C(CS(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1F	REAL300017157808	0	38	-1.0	-49.95	330.60	6.16	-43.79
C[C@@H]1CN(S(=O)(=O)C2=CC=C(CC#N)C=C2)C[C@H]1C(=O)[O-]	REAL300017157809	0	36	-1.0	-57.41	319.73	5.84	-51.57
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=CC(F)=C1F	REAL300017157810	0	38	-1.0	-47.90	345.71	5.46	-42.44
C[C@@H]1CN(S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C[C@H]1C(=O)[O-]	REAL300017157811	0	44	-1.0	-51.31	362.77	6.16	-45.15
C[C@@H]1CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C[C@H]1C(=O)[O-]	REAL300017157812	0	50	-1.0	-46.73	367.09	6.40	-40.33
CC1=NC2=C(S(=O)(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)C=CC=C2C=C1	REAL300017157813	0	40	-1.0	-56.12	335.26	6.27	-49.85
C[C@@H]1CN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C[C@H]1C(=O)[O-]	REAL300017157814	0	40	-1.0	-52.49	344.87	6.63	-45.86
C[C@@H]1CN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C[C@H]1C(=O)[O-]	REAL300017157815	0	43	-1.0	-49.86	357.24	3.28	-46.58
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157816	0	46	-1.0	-54.00	394.95	5.84	-48.16
CCCN1C=NC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157817	0	38	-1.0	-51.22	327.38	5.49	-45.73
C[C@@H]1CN(S(=O)(=O)C2=CC(Br)=C(C#N)C=C2F)C[C@H]1C(=O)[O-]	REAL300017157818	0	33	-1.0	-46.53	320.19	5.49	-41.04
C[C@@H]1CN(S(=O)(=O)C2=C(C#N)SC=C2)C[C@H]1C(=O)[O-]	REAL300017157819	0	30	-1.0	-56.35	282.13	3.87	-52.48
C[C@@H]1CN(S(=O)(=O)CC2CCC(F)CC2)C[C@H]1C(=O)[O-]	REAL300017157820	0	41	-1.0	-47.69	327.56	5.89	-41.80
CC1=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300017157821	0	35	-1.0	-46.33	314.03	5.78	-40.55
C[C@@H]1CN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C[C@H]1C(=O)[O-]	REAL300017157822	0	38	-1.0	-57.78	326.65	5.65	-52.13
CC1=CSC(C2=CC=C(S(=O)(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)C=C2)=N1	REAL300017157823	0	41	-1.0	-50.01	364.78	6.14	-43.87
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1F	REAL300017157824	0	38	-1.0	-53.92	349.40	5.73	-48.19
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157825	0	41	-1.0	-51.41	354.75	5.88	-45.53
CC1=C(Br)C=CC=C1CS(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157826	0	38	-1.0	-47.43	337.61	6.54	-40.89
C[C@@H]1CN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C[C@H]1C(=O)[O-]	REAL300017157827	0	35	-1.0	-48.25	323.66	5.97	-42.28
C[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C[C@H]1C(=O)[O-]	REAL300017157828	0	32	-1.0	-44.82	317.67	5.88	-38.94
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157829	0	39	-1.0	-59.47	336.01	2.16	-57.31
CCCCCCCCOC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1	REAL300017157830	0	57	-1.0	-49.58	457.82	9.60	-39.98
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1	REAL300017157831	0	47	-1.0	-53.43	387.35	7.01	-46.42
CCC1CCN(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC1	REAL300017157832	0	43	-1.0	-46.10	337.23	5.18	-40.92
C[C@@H]1CN(S(=O)(=O)CCC2=CC=C(F)C=C2)C[C@H]1C(=O)[O-]	REAL300017157833	0	38	-1.0	-48.45	331.77	6.29	-42.16
C[C@@H]1CN(S(=O)(=O)CCC2=CC=CC=C2F)C[C@H]1C(=O)[O-]	REAL300017157834	0	38	-1.0	-48.63	330.94	6.27	-42.36
C[C@@H]1CN(S(=O)(=O)CCC2=CC=CC=C2Cl)C[C@H]1C(=O)[O-]	REAL300017157835	0	38	-1.0	-47.85	337.94	6.60	-41.25
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157836	0	36	-1.0	-46.25	328.97	5.23	-41.02
COC1=CC2=C(C=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C(=O)NCCC2	REAL300017157837	0	47	-1.0	-57.17	379.54	3.68	-53.49
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)S2)C1	REAL300017157838	0	43	-1.0	-53.94	368.34	5.13	-48.81
CC1=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300017157839	0	39	-1.0	-49.48	356.65	7.27	-42.21
COC1CCN(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC1	REAL300017157840	0	41	-1.0	-47.33	330.09	2.96	-44.37
C[C@@H]1CN(S(=O)(=O)CC2=CC(F)=CC=C2Br)C[C@H]1C(=O)[O-]	REAL300017157841	0	35	-1.0	-47.92	326.89	6.08	-41.84
CCC(C)OC1=CC=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157842	0	45	-1.0	-54.10	369.53	6.39	-47.71
CC(CC(F)(F)F)CS(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157843	0	37	-1.0	-51.36	313.85	4.91	-46.45
C[C@@H]1CN(S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C[C@H]1C(=O)[O-]	REAL300017157844	0	39	-1.0	-52.37	346.63	6.59	-45.78
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)=C2)=N1	REAL300017157845	0	44	-1.0	-49.80	363.99	4.28	-45.52
COC1=CC(F)=CC=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157846	0	36	-1.0	-48.40	308.39	4.63	-43.77
COC(=O)C1=C(C)C=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)O1	REAL300017157847	0	38	-1.0	-49.93	335.99	4.06	-45.87
CCC1=NC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=CN1CC1CC1	REAL300017157848	0	45	-1.0	-51.92	372.76	6.48	-45.44
CC(=O)N1CC2=CC=C(S(=O)(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)C=C2C1	REAL300017157849	0	43	-1.0	-57.53	365.08	5.30	-52.23
C[C@@H]1CN(S(=O)(=O)C2=CN=C(C3CC3)S2)C[C@H]1C(=O)[O-]	REAL300017157850	0	35	-1.0	-48.62	319.81	4.23	-44.39
C[C@@H]1CN(S(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C[C@H]1C(=O)[O-]	REAL300017157851	0	35	-1.0	-58.30	327.56	4.47	-53.83
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300017157852	0	51	-1.0	-48.40	410.02	7.72	-40.68
CC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300017157853	0	40	-1.0	-51.00	334.57	6.73	-44.27
C[C@@H]1CN(S(=O)(=O)C2=C(C3CC3)C=NN2C)C[C@H]1C(=O)[O-]	REAL300017157854	0	39	-1.0	-46.76	324.09	4.61	-42.15
C[C@@H]1CN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300017157855	0	45	-1.0	-48.31	383.49	7.05	-41.26
C[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C[C@H]1C(=O)[O-]	REAL300017157856	0	46	-1.0	-51.88	396.04	8.02	-43.86
COC(CS(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300017157857	0	42	-1.0	-49.86	361.91	5.83	-44.03
C[C@@H]1CN(S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C[C@H]1C(=O)[O-]	REAL300017157858	0	44	-1.0	-51.10	362.59	6.14	-44.96
COC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1Cl	REAL300017157859	0	40	-1.0	-48.53	360.44	3.57	-44.96
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)C=CC=C12	REAL300017157860	0	44	-1.0	-51.10	362.33	7.17	-43.93
COC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1C	REAL300017157861	0	43	-1.0	-50.66	363.28	3.76	-46.90
C[C@@H]1CN(S(=O)(=O)CC2(C(F)F)CCCC2)C[C@H]1C(=O)[O-]	REAL300017157862	0	41	-1.0	-49.62	324.97	6.02	-43.60
CCOC1(CS(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CCOCC1	REAL300017157863	0	46	-1.0	-55.56	357.09	3.52	-52.04
CCOC(CS(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C1CC1	REAL300017157864	0	42	-1.0	-49.31	345.41	5.03	-44.28
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1F	REAL300017157865	0	38	-1.0	-53.87	339.07	5.27	-48.60
CC(=O)N1CCC2=CC(S(=O)(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)=C(Cl)C=C21	REAL300017157866	0	43	-1.0	-55.74	365.35	6.13	-49.61
C[C@@H]1CN(S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C[C@H]1C(=O)[O-]	REAL300017157867	0	35	-1.0	-45.27	318.35	3.33	-41.94
C[C@@H]1CN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C[C@H]1C(=O)[O-]	REAL300017157868	0	43	-1.0	-51.39	380.10	8.83	-42.56
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157869	0	35	-1.0	-43.79	313.03	5.83	-37.96
CC1=CC=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1Br	REAL300017157870	0	35	-1.0	-50.95	307.34	5.74	-45.21
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157871	0	38	-1.0	-52.76	338.62	5.77	-46.99
C[C@@H]1CN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C[C@H]1C(=O)[O-]	REAL300017157872	0	40	-1.0	-48.10	338.12	2.50	-45.60
COC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157873	0	36	-1.0	-47.75	330.88	4.65	-43.10
COC1=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017157874	0	38	-1.0	-48.40	334.09	5.41	-42.99
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157875	0	38	-1.0	-46.04	324.82	6.19	-39.85
COCCN1C=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=N1	REAL300017157876	0	39	-1.0	-48.79	339.35	2.38	-46.41
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157877	0	45	-1.0	-50.96	367.59	6.12	-44.84
C[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C[C@H]1C(=O)[O-]	REAL300017157878	0	39	-1.0	-53.74	341.84	5.22	-48.52
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1C	REAL300017157879	0	59	-1.0	-50.39	467.91	9.34	-41.05
C[C@@H]1CN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C[C@H]1C(=O)[O-]	REAL300017157880	0	40	-1.0	-51.51	353.58	6.89	-44.62
C[C@@H]1CN(S(=O)(=O)C2=CC=C(F)C(Br)=C2)C[C@H]1C(=O)[O-]	REAL300017157881	0	32	-1.0	-49.96	306.50	5.39	-44.57
C[C@@H]1CN(S(=O)(=O)CC2=CC=C(F)C=C2F)C[C@H]1C(=O)[O-]	REAL300017157882	0	35	-1.0	-52.68	312.98	5.51	-47.17
C[C@@H]1CN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C[C@H]1C(=O)[O-]	REAL300017157883	0	39	-1.0	-59.67	343.18	2.53	-57.14
CCN1C(=O)OC2=CC(S(=O)(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)=CC=C21	REAL300017157884	0	41	-1.0	-50.14	354.50	5.62	-44.52
CC1=C(Br)C=CC=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157885	0	35	-1.0	-47.44	304.00	5.69	-41.75
COCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157886	0	39	-1.0	-48.44	327.30	4.92	-43.52
COC1=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300017157887	0	36	-1.0	-49.80	329.41	4.70	-45.10
C[C@@H]1CN(S(=O)(=O)C2=C(Cl)SC(S(C)(=O)=O)=C2)C[C@H]1C(=O)[O-]	REAL300017157888	0	35	-1.0	-53.04	340.23	1.54	-51.50
C[C@@H]1CN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C[C@H]1C(=O)[O-]	REAL300017157889	0	35	-1.0	-49.74	324.04	3.81	-45.93
C[C@@H]1CN(S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C[C@H]1C(=O)[O-]	REAL300017157890	0	43	-1.0	-49.27	357.52	5.98	-43.29
C[C@@H]1CN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C[C@H]1C(=O)[O-]	REAL300017157891	0	40	-1.0	-52.92	357.50	1.45	-51.47
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1F	REAL300017157892	0	43	-1.0	-51.88	378.96	2.34	-49.54
CCC(=O)NCC1=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=CC=C1OC	REAL300017157893	0	49	-1.0	-55.32	409.47	3.83	-51.49
CCC1=CC=C(CS(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1	REAL300017157894	0	41	-1.0	-51.03	345.23	6.84	-44.19
COC1=CC=C(Br)C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157895	0	36	-1.0	-48.12	316.60	4.40	-43.72
C[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C[C@H]1C(=O)[O-]	REAL300017157896	0	47	-1.0	-49.06	392.32	5.11	-43.95
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157897	0	41	-1.0	-58.24	360.73	3.09	-55.15
C[C@@H]1CN(S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C[C@H]1C(=O)[O-]	REAL300017157898	0	34	-1.0	-46.83	326.84	4.57	-42.26
CC(=O)C1=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300017157899	0	37	-1.0	-47.47	336.11	5.71	-41.76
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157900	0	37	-1.0	-54.37	327.21	5.51	-48.86
C[C@@H]1CN(S(=O)(=O)C2=CC(Br)=CC(C#N)=C2)C[C@H]1C(=O)[O-]	REAL300017157901	0	33	-1.0	-45.81	322.21	5.74	-40.07
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1Br	REAL300017157902	0	39	-1.0	-46.97	350.33	5.57	-41.40
C[C@@H]1CN(S(=O)(=O)CCNC(=O)OCC2=CC=CC=C2)C[C@H]1C(=O)[O-]	REAL300017157903	0	46	-1.0	-51.43	397.34	4.14	-47.29
C[C@@H]1CN(S(=O)(=O)CC2=C(F)C=CC=C2F)C[C@H]1C(=O)[O-]	REAL300017157904	0	35	-1.0	-53.21	312.97	5.45	-47.76
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157905	0	45	-1.0	-47.84	382.83	6.41	-41.43
C[C@@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)C[C@H]1C(=O)[O-]	REAL300017157906	0	41	-1.0	-46.50	326.20	2.94	-43.56
COC1=C(C)C=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1C	REAL300017157907	0	42	-1.0	-51.07	353.08	5.62	-45.45
CC(C)CCOC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1	REAL300017157908	0	48	-1.0	-49.59	389.39	7.00	-42.59
C[C@@H]1CN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C[C@H]1C(=O)[O-]	REAL300017157909	0	46	-1.0	-50.28	371.56	6.87	-43.41
CC(C)COC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1	REAL300017157910	0	45	-1.0	-49.71	370.43	6.39	-43.32
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1	REAL300017157911	0	42	-1.0	-49.74	350.33	5.70	-44.04
COC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1Cl	REAL300017157912	0	36	-1.0	-49.95	324.08	4.53	-45.42
C[C@@H]1CN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C[C@H]1C(=O)[O-]	REAL300017157913	0	36	-1.0	-48.46	333.84	4.80	-43.66
COC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1C	REAL300017157914	0	39	-1.0	-48.37	328.11	4.70	-43.67
CC1=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=CC=C1OC(C)C	REAL300017157915	0	45	-1.0	-48.06	367.88	6.26	-41.80
COC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C(C)=C1	REAL300017157916	0	39	-1.0	-48.11	315.53	4.49	-43.62
COCCOC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1	REAL300017157917	0	43	-1.0	-51.91	362.45	4.17	-47.74
COCCOC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1C	REAL300017157918	0	46	-1.0	-51.08	383.60	4.91	-46.17
C[C@@H]1CN(S(=O)(=O)CC2=CC=CC=C2F)C[C@H]1C(=O)[O-]	REAL300017157919	0	35	-1.0	-53.99	307.66	5.43	-48.56
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157920	0	43	-1.0	-53.59	369.31	4.34	-49.25
C[C@@H]1CN(S(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C[C@H]1C(=O)[O-]	REAL300017157921	0	47	-1.0	-52.31	384.20	4.21	-48.10
C[C@@H]1CN(S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C[C@H]1C(=O)[O-]	REAL300017157922	0	42	-1.0	-58.02	351.08	4.56	-53.46
CC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C(Br)=C1	REAL300017157923	0	35	-1.0	-46.76	308.53	5.76	-41.00
C[C@@H]1CN(S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2Cl)C[C@H]1C(=O)[O-]	REAL300017157924	0	38	-1.0	-51.90	345.23	2.54	-49.36
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157925	0	38	-1.0	-54.61	341.15	6.91	-47.70
C[C@@H]1CN(S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C[C@H]1C(=O)[O-]	REAL300017157926	0	33	-1.0	-48.76	314.77	5.47	-43.29
CC1=CC(Br)=CC=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157927	0	35	-1.0	-45.27	307.37	5.80	-39.47
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1C	REAL300017157928	0	40	-1.0	-52.99	328.81	7.66	-45.33
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157929	0	38	-1.0	-50.13	339.24	5.67	-44.46
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157930	0	41	-1.0	-55.71	346.70	2.70	-53.01
C[C@@H]1CN(S(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)C[C@H]1C(=O)[O-]	REAL300017157931	0	36	-1.0	-48.91	327.76	6.56	-42.35
C[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C[C@H]1C(=O)[O-]	REAL300017157932	0	33	-1.0	-49.63	314.79	5.48	-44.15
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1	REAL300017157933	0	48	-1.0	-52.24	388.45	6.41	-45.83
C[C@@H]1CN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C[C@H]1C(=O)[O-]	REAL300017157934	0	44	-1.0	-53.68	386.58	2.52	-51.16
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1	REAL300017157935	0	40	-1.0	-54.18	354.10	0.83	-53.35
CC(=O)NCCC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)S1	REAL300017157936	0	42	-1.0	-56.35	374.37	3.63	-52.72
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)O1	REAL300017157937	0	35	-1.0	-50.01	318.09	3.48	-46.53
CC1=NC(C)=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)S1	REAL300017157938	0	34	-1.0	-47.50	304.82	3.34	-44.16
C[C@@H]1CN(S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C[C@H]1C(=O)[O-]	REAL300017157939	0	34	-1.0	-62.44	299.23	6.05	-56.39
C[C@@H]1CN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C[C@H]1C(=O)[O-]	REAL300017157940	0	35	-1.0	-52.81	334.71	6.42	-46.39
CCOC(=O)C1=C(C)C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C(C)N1	REAL300017157941	0	45	-1.0	-53.00	372.59	5.31	-47.69
C[C@@H]1CN(S(=O)(=O)C2=C(F)C=CC=C2Br)C[C@H]1C(=O)[O-]	REAL300017157942	0	32	-1.0	-50.91	299.11	5.69	-45.22
CC1=NC(C2=CC=C(S(=O)(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)S2)=CS1	REAL300017157943	0	38	-1.0	-49.54	357.99	5.25	-44.29
C[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C[C@H]1C(=O)[O-]	REAL300017157944	0	52	-1.0	-49.58	412.06	8.29	-41.29
C[C@@H]1CN(S(=O)(=O)C2=CC=CC(C(=O)NCC(F)(F)F)=C2)C[C@H]1C(=O)[O-]	REAL300017157945	0	42	-1.0	-52.04	375.82	4.25	-47.79
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157946	0	41	-1.0	-49.95	340.78	5.83	-44.12
C[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C[C@H]1C(=O)[O-]	REAL300017157947	0	34	-1.0	-53.15	315.95	7.06	-46.09
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1OC	REAL300017157948	0	40	-1.0	-50.41	338.44	3.81	-46.60
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1OC	REAL300017157949	0	43	-1.0	-48.35	344.83	4.37	-43.98
C[C@@H]1CN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C[C@H]1C(=O)[O-]	REAL300017157950	0	34	-1.0	-48.91	324.04	7.04	-41.87
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157951	0	40	-1.0	-55.15	336.54	6.39	-48.76
C[C@@H]1CN(S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C[C@H]1C(=O)[O-]	REAL300017157952	0	35	-1.0	-50.91	319.12	5.67	-45.24
C[C@@H]1CN(S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C[C@H]1C(=O)[O-]	REAL300017157953	0	37	-1.0	-51.76	320.50	0.86	-50.90
CC1=CC(Cl)=CC=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157954	0	35	-1.0	-45.41	302.80	5.70	-39.71
CCOC(=O)C1CCCN1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157955	0	43	-1.0	-54.57	354.14	5.43	-49.14
CNC(=O)C1=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=CN1C	REAL300017157956	0	40	-1.0	-51.80	342.43	2.35	-49.45
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C(C)=C1	REAL300017157957	0	42	-1.0	-47.89	333.64	5.47	-42.42
C[C@@H]1CN(S(=O)(=O)C2=CC3=C(C=C2Cl)CCC(=O)N3)C[C@H]1C(=O)[O-]	REAL300017157958	0	40	-1.0	-51.45	344.82	4.17	-47.28
COC(=O)C1=CC=C(CS(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1	REAL300017157959	0	41	-1.0	-53.84	357.15	6.07	-47.77
COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC1	REAL300017157960	0	43	-1.0	-49.39	352.78	4.56	-44.83
C[C@@H]1CN(S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C[C@H]1C(=O)[O-]	REAL300017157961	0	43	-1.0	-50.53	354.03	4.81	-45.72
COC(=O)C1=CC=CC(CS(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157962	0	41	-1.0	-55.19	358.68	6.10	-49.09
CCOC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)O1	REAL300017157963	0	38	-1.0	-49.92	339.95	4.40	-45.52
COC(=O)CCOC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1	REAL300017157964	0	45	-1.0	-53.91	384.29	5.75	-48.16
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1C	REAL300017157965	0	42	-1.0	-47.53	335.58	5.22	-42.31
C[C@@H]1CN(S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C[C@H]1C(=O)[O-]	REAL300017157966	0	36	-1.0	-51.87	318.44	5.10	-46.77
CCOC(=O)CCCS(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157967	0	40	-1.0	-51.37	342.77	4.94	-46.43
C[C@@H]1CN(S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C[C@H]1C(=O)[O-]	REAL300017157968	0	35	-1.0	-50.84	309.52	6.31	-44.53
C[C@@H]1CN(S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C[C@H]1C(=O)[O-]	REAL300017157969	0	34	-1.0	-52.85	320.51	7.17	-45.68
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157970	0	37	-1.0	-53.62	305.39	6.43	-47.19
C[C@@H]1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)C[C@H]1C(=O)[O-]	REAL300017157971	0	34	-1.0	-44.11	315.82	5.77	-38.34
C[C@@H]1CN(S(=O)(=O)C2=C(Br)C=CS2)C[C@H]1C(=O)[O-]	REAL300017157972	0	29	-1.0	-47.84	288.13	4.51	-43.33
C[C@@H]1CN(S(=O)(=O)C2=CC=CC3=C2COC3=O)C[C@H]1C(=O)[O-]	REAL300017157973	0	36	-1.0	-50.49	312.10	4.97	-45.52
CC1=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300017157974	0	40	-1.0	-50.44	324.22	5.89	-44.55
C[C@@H]1CN(S(=O)(=O)CC2=CC=C(Cl)N=C2)C[C@H]1C(=O)[O-]	REAL300017157975	0	34	-1.0	-52.92	314.06	4.04	-48.88
C[C@@H]1CN(S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C[C@H]1C(=O)[O-]	REAL300017157976	0	40	-1.0	-49.92	341.06	3.85	-46.07
C[C@@H]1CN(S(=O)(=O)C2=CC(Br)=CN=C2Cl)C[C@H]1C(=O)[O-]	REAL300017157977	0	31	-1.0	-47.11	303.60	3.82	-43.29
C[C@@H]1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C[C@H]1C(=O)[O-]	REAL300017157978	0	34	-1.0	-48.89	307.99	5.28	-43.61
C[C@@H]1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)C[C@H]1C(=O)[O-]	REAL300017157979	0	34	-1.0	-47.56	322.97	5.80	-41.76
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157980	0	41	-1.0	-53.64	359.65	3.28	-50.36
CCN1C=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300017157981	0	37	-1.0	-49.80	332.17	5.50	-44.30
C[C@@H]1CN(S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C[C@H]1C(=O)[O-]	REAL300017157982	0	34	-1.0	-50.59	314.57	6.18	-44.41
C[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C[C@H]1C(=O)[O-]	REAL300017157983	0	34	-1.0	-44.79	314.71	5.46	-39.33
C[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C[C@H]1C(=O)[O-]	REAL300017157984	0	39	-1.0	-51.31	348.40	5.36	-45.95
C[C@@H]1CN(S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C[C@H]1C(=O)[O-]	REAL300017157985	0	34	-1.0	-53.83	320.54	7.16	-46.67
C[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C[C@H]1C(=O)[O-]	REAL300017157986	0	46	-1.0	-51.10	388.74	7.95	-43.15
C[C@@H]1CN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2F)C[C@H]1C(=O)[O-]	REAL300017157987	0	40	-1.0	-55.02	356.97	1.23	-53.79
CCC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157988	0	40	-1.0	-56.70	342.58	6.00	-50.70
CCOC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC1	REAL300017157989	0	45	-1.0	-49.51	366.82	3.52	-45.99
COC1=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C2=CC=C(Cl)N=C2C=C1	REAL300017157990	0	41	-1.0	-51.69	357.12	5.94	-45.75
C[C@@H]1CN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C[C@H]1C(=O)[O-]	REAL300017157991	0	42	-1.0	-49.72	366.05	6.32	-43.40
C[C@@H]1CN(S(=O)(=O)C2=CN=C3NC=CC=C23)C[C@H]1C(=O)[O-]	REAL300017157992	0	35	-1.0	-64.87	306.36	3.86	-61.01
CC(C)CCN(CCC(C)C)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157993	0	54	-1.0	-48.29	416.04	7.62	-40.67
C[C@@H]1CN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C[C@H]1C(=O)[O-]	REAL300017157994	0	40	-1.0	-57.88	351.05	1.38	-56.50
C[C@@H]1CN(S(=O)(=O)CC2=CC=CC(F)=C2)C[C@H]1C(=O)[O-]	REAL300017157995	0	35	-1.0	-49.81	310.28	5.51	-44.30
C[C@@H]1CN(S(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)C[C@H]1C(=O)[O-]	REAL300017157996	0	38	-1.0	-53.14	343.66	2.21	-50.93
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300017157997	0	45	-1.0	-51.62	365.09	7.06	-44.56
CCOC1=CC=C(C)C=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157998	0	42	-1.0	-51.80	344.46	6.11	-45.69
C[C@@H]1CN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C[C@H]1C(=O)[O-]	REAL300017157999	0	37	-1.0	-65.47	327.83	4.90	-60.57
C[C@@H]1CN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C[C@H]1C(=O)[O-]	REAL300017158000	0	39	-1.0	-53.31	340.65	5.86	-47.45
CC1=CC=C(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1F	REAL300017179639	0	38	-1.0	-54.39	325.20	6.29	-48.10
N#CCC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179640	0	36	-1.0	-58.66	316.14	6.19	-52.47
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC(F)=C1F	REAL300017179641	0	38	-1.0	-49.12	339.48	5.75	-43.37
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017179642	0	44	-1.0	-52.14	357.56	6.21	-45.93
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017179643	0	50	-1.0	-48.84	359.87	6.42	-42.42
CC1=NC2=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=CC=C2C=C1	REAL300017179644	0	40	-1.0	-58.47	330.56	6.50	-51.97
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017179645	0	40	-1.0	-63.96	337.91	6.94	-57.02
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017179646	0	43	-1.0	-53.23	351.76	3.35	-49.88
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179647	0	46	-1.0	-55.57	392.02	6.19	-49.38
CCCN1C=NC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179648	0	38	-1.0	-51.74	320.33	5.49	-46.25
N#CC1=CC(F)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Br	REAL300017179649	0	33	-1.0	-47.12	316.61	5.90	-41.22
N#CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=CS1	REAL300017179650	0	30	-1.0	-49.81	278.78	4.30	-45.51
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1CCC(F)CC1	REAL300017179651	0	41	-1.0	-51.01	324.12	6.09	-44.92
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1Cl	REAL300017179652	0	35	-1.0	-49.55	309.35	6.12	-43.43
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017179653	0	38	-1.0	-52.83	321.16	5.76	-47.07
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C2)=N1	REAL300017179654	0	41	-1.0	-51.47	360.13	6.47	-45.00
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1F	REAL300017179655	0	38	-1.0	-49.23	345.82	6.14	-43.09
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179656	0	41	-1.0	-55.63	350.82	6.28	-49.35
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179657	0	38	-1.0	-50.40	331.19	6.75	-43.65
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017179658	0	35	-1.0	-51.26	318.67	6.11	-45.15
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017179659	0	32	-1.0	-47.97	311.91	6.15	-41.82
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179660	0	39	-1.0	-54.44	329.17	2.20	-52.24
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179661	0	57	-1.0	-51.56	454.23	9.93	-41.63
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179662	0	47	-1.0	-57.12	383.76	7.36	-49.76
CCC1CCN(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CC1	REAL300017179663	0	43	-1.0	-50.31	331.48	5.44	-44.87
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017179664	0	38	-1.0	-53.06	325.31	6.61	-46.45
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300017179665	0	38	-1.0	-56.55	324.35	6.57	-49.98
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017179666	0	38	-1.0	-52.09	331.55	6.90	-45.19
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179667	0	36	-1.0	-51.13	325.41	5.57	-45.56
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-])C(=O)NCCC2	REAL300017179668	0	47	-1.0	-64.25	374.49	3.99	-60.26
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])S2)C1	REAL300017179669	0	43	-1.0	-53.28	365.17	5.57	-47.71
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017179670	0	39	-1.0	-53.61	350.90	7.52	-46.09
COC1CCN(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CC1	REAL300017179671	0	41	-1.0	-52.04	324.41	3.20	-48.84
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017179672	0	35	-1.0	-50.81	323.30	6.18	-44.63
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179673	0	45	-1.0	-49.45	362.86	6.43	-43.02
CC(CC(F)(F)F)CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179674	0	37	-1.0	-54.12	308.92	5.24	-48.88
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017179675	0	39	-1.0	-52.06	330.98	6.62	-45.44
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=C2)=N1	REAL300017179676	0	44	-1.0	-57.33	358.81	4.61	-52.72
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179677	0	36	-1.0	-50.53	304.45	4.95	-45.58
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])O1	REAL300017179678	0	38	-1.0	-48.24	331.28	4.39	-43.85
CCC1=NC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CN1CC1CC1	REAL300017179679	0	45	-1.0	-61.06	374.52	6.90	-54.16
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C2C1	REAL300017179680	0	43	-1.0	-53.94	356.87	5.27	-48.67
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017179681	0	35	-1.0	-49.08	313.28	4.29	-44.79
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017179682	0	35	-1.0	-62.52	325.72	4.70	-57.82
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(C)C	REAL300017179683	0	51	-1.0	-52.15	405.27	8.05	-44.10
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017179684	0	40	-1.0	-48.60	329.25	7.08	-41.52
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179685	0	39	-1.0	-48.90	320.27	4.92	-43.98
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017179686	0	45	-1.0	-53.46	376.20	7.27	-46.19
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017179687	0	46	-1.0	-48.86	390.71	8.11	-40.75
COC(CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-])C1=CC=C(F)C=C1	REAL300017179688	0	42	-1.0	-54.99	355.46	6.12	-48.87
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017179689	0	44	-1.0	-52.32	357.23	6.19	-46.13
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Cl	REAL300017179690	0	40	-1.0	-50.99	355.11	3.94	-47.05
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=CC=C12	REAL300017179691	0	44	-1.0	-54.65	357.45	7.56	-47.09
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C	REAL300017179692	0	43	-1.0	-52.97	358.05	4.08	-48.89
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017179693	0	41	-1.0	-47.04	323.12	6.06	-40.98
CCOC1(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CCOCC1	REAL300017179694	0	46	-1.0	-51.06	351.88	3.57	-47.49
CCOC(CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-])C1CC1	REAL300017179695	0	42	-1.0	-53.16	339.08	5.17	-47.99
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1F	REAL300017179696	0	38	-1.0	-49.40	335.49	5.69	-43.71
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=C(Cl)C=C21	REAL300017179697	0	43	-1.0	-55.69	358.95	6.39	-49.30
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179698	0	35	-1.0	-48.36	314.37	3.66	-44.70
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017179699	0	43	-1.0	-49.37	373.11	8.83	-40.54
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179700	0	35	-1.0	-50.04	310.30	6.27	-43.77
CC1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1Br	REAL300017179701	0	35	-1.0	-50.28	300.38	6.02	-44.26
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179702	0	38	-1.0	-50.46	320.35	5.91	-44.55
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017179703	0	40	-1.0	-52.34	333.11	2.58	-49.76
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179704	0	36	-1.0	-51.02	324.69	4.92	-46.10
COC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017179705	0	38	-1.0	-50.32	329.42	5.76	-44.56
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179706	0	38	-1.0	-52.93	322.04	6.64	-46.29
COCCN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=N1	REAL300017179707	0	39	-1.0	-48.67	334.22	2.41	-46.26
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179708	0	45	-1.0	-49.07	363.88	6.54	-42.53
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017179709	0	39	-1.0	-57.25	338.25	5.54	-51.71
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1C	REAL300017179710	0	59	-1.0	-54.52	460.38	9.57	-44.95
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017179711	0	40	-1.0	-55.98	347.12	7.21	-48.77
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017179712	0	32	-1.0	-50.50	300.90	5.68	-44.82
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017179713	0	35	-1.0	-48.85	310.59	5.68	-43.17
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017179714	0	39	-1.0	-71.68	338.47	2.88	-68.80
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CC=C21	REAL300017179715	0	41	-1.0	-48.96	349.15	5.73	-43.23
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179716	0	35	-1.0	-49.07	299.08	6.07	-43.00
COCC1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179717	0	39	-1.0	-50.59	313.58	4.82	-45.77
COC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1Br	REAL300017179718	0	36	-1.0	-48.47	323.16	4.74	-43.73
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C(Cl)S1	REAL300017179719	0	35	-1.0	-57.31	336.83	1.96	-55.35
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017179720	0	35	-1.0	-50.36	318.48	3.87	-46.49
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CC=C2O1	REAL300017179721	0	43	-1.0	-51.86	350.54	6.01	-45.85
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1F	REAL300017179722	0	40	-1.0	-52.03	351.98	1.55	-50.48
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1F	REAL300017179723	0	43	-1.0	-51.15	373.44	2.45	-48.70
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1OC	REAL300017179724	0	49	-1.0	-53.33	404.26	3.90	-49.43
CCC1=CC=C(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179725	0	41	-1.0	-51.86	341.71	7.04	-44.82
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179726	0	36	-1.0	-52.37	312.40	4.77	-47.60
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017179727	0	47	-1.0	-56.68	387.01	5.20	-51.48
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179728	0	41	-1.0	-54.83	355.42	3.19	-51.64
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017179729	0	34	-1.0	-48.53	321.34	4.67	-43.86
CC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1Br	REAL300017179730	0	37	-1.0	-49.31	331.37	6.05	-43.26
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179731	0	37	-1.0	-60.54	322.79	5.84	-54.70
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179732	0	33	-1.0	-48.86	315.99	6.01	-42.85
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Br	REAL300017179733	0	39	-1.0	-47.50	345.00	5.65	-41.85
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017179734	0	46	-1.0	-57.84	390.90	4.46	-53.38
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017179735	0	35	-1.0	-55.50	309.50	5.63	-49.87
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179736	0	45	-1.0	-51.81	383.59	6.51	-45.30
CC1(C)CN(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CCO1	REAL300017179737	0	41	-1.0	-49.81	316.29	3.05	-46.76
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C	REAL300017179738	0	42	-1.0	-51.02	346.72	5.66	-45.36
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179739	0	48	-1.0	-51.56	385.80	7.33	-44.23
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017179740	0	46	-1.0	-50.86	368.82	7.24	-43.62
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179741	0	45	-1.0	-51.70	366.84	6.72	-44.98
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179742	0	42	-1.0	-51.71	346.74	6.03	-45.68
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Cl	REAL300017179743	0	36	-1.0	-47.79	318.76	4.62	-43.17
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017179744	0	36	-1.0	-50.35	328.52	4.89	-45.46
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C	REAL300017179745	0	39	-1.0	-52.60	323.45	5.04	-47.56
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1OC(C)C	REAL300017179746	0	45	-1.0	-52.09	363.26	6.61	-45.48
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1	REAL300017179747	0	39	-1.0	-52.02	310.61	4.84	-47.18
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179748	0	43	-1.0	-54.52	358.86	4.50	-50.02
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C	REAL300017179749	0	46	-1.0	-54.59	378.90	5.24	-49.35
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300017179750	0	35	-1.0	-57.04	304.19	5.61	-51.43
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179751	0	43	-1.0	-53.37	363.78	4.43	-48.94
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017179752	0	47	-1.0	-51.67	378.65	4.51	-47.16
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179753	0	42	-1.0	-53.00	345.38	4.66	-48.34
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(Br)=C1	REAL300017179754	0	35	-1.0	-49.54	304.50	6.12	-43.42
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179755	0	38	-1.0	-56.29	340.59	2.87	-53.42
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179756	0	38	-1.0	-57.02	337.71	7.07	-49.95
N#CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Cl	REAL300017179757	0	33	-1.0	-46.10	309.44	5.57	-40.53
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179758	0	35	-1.0	-49.73	302.08	6.16	-43.57
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1C	REAL300017179759	0	40	-1.0	-50.05	318.76	7.60	-42.45
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179760	0	38	-1.0	-55.71	334.81	6.01	-49.70
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179761	0	41	-1.0	-64.53	342.80	2.72	-61.81
N#CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C(F)(F)F)=C1	REAL300017179762	0	36	-1.0	-53.52	322.41	6.86	-46.66
N#CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1Cl	REAL300017179763	0	33	-1.0	-45.81	309.47	5.57	-40.24
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179764	0	48	-1.0	-56.60	384.55	6.74	-49.86
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017179765	0	44	-1.0	-54.99	382.89	2.86	-52.13
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179766	0	40	-1.0	-55.39	350.50	1.18	-54.21
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])S1	REAL300017179767	0	42	-1.0	-59.19	370.47	3.76	-55.43
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])O1	REAL300017179768	0	35	-1.0	-53.43	315.28	3.67	-49.76
CC1=NC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])S1	REAL300017179769	0	34	-1.0	-50.32	302.35	3.31	-47.01
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017179770	0	34	-1.0	-65.76	291.67	6.84	-58.92
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017179771	0	35	-1.0	-50.07	332.29	6.59	-43.48
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C(C)N1	REAL300017179772	0	45	-1.0	-48.88	368.36	5.67	-43.21
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017179773	0	32	-1.0	-55.96	290.87	5.86	-50.10
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])S2)=CS1	REAL300017179774	0	38	-1.0	-52.22	353.80	5.39	-46.83
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017179775	0	52	-1.0	-51.70	408.47	8.63	-43.07
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017179776	0	42	-1.0	-52.08	370.29	4.34	-47.74
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179777	0	41	-1.0	-59.88	335.55	6.16	-53.72
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017179778	0	34	-1.0	-55.83	313.29	7.00	-48.83
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1OC	REAL300017179779	0	40	-1.0	-50.98	334.88	4.20	-46.78
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1OC	REAL300017179780	0	43	-1.0	-53.94	340.74	4.39	-49.55
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017179781	0	34	-1.0	-54.86	307.75	7.43	-47.43
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179782	0	40	-1.0	-58.16	331.56	6.60	-51.56
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017179783	0	35	-1.0	-51.80	313.60	5.93	-45.87
CN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(N)=O	REAL300017179784	0	37	-1.0	-52.60	316.32	0.96	-51.64
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179785	0	35	-1.0	-49.84	297.52	6.05	-43.79
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179786	0	43	-1.0	-56.65	348.44	4.96	-51.69
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CN1C	REAL300017179787	0	40	-1.0	-53.29	337.94	2.47	-50.82
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1	REAL300017179788	0	42	-1.0	-49.87	327.11	5.76	-44.11
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017179789	0	40	-1.0	-54.74	339.85	4.55	-50.19
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179790	0	41	-1.0	-54.28	353.55	6.26	-48.02
COC(=O)C1CCN(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CC1	REAL300017179791	0	43	-1.0	-55.19	347.03	4.83	-50.36
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017179792	0	43	-1.0	-54.67	349.37	5.14	-49.53
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179793	0	41	-1.0	-56.50	352.22	6.41	-50.09
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])O1	REAL300017179794	0	38	-1.0	-53.75	337.43	4.61	-49.14
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179795	0	45	-1.0	-53.91	380.70	6.07	-47.84
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C	REAL300017179796	0	42	-1.0	-52.97	330.38	5.55	-47.42
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017179797	0	36	-1.0	-65.30	311.38	5.13	-60.17
CCOC(=O)CCCS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179798	0	40	-1.0	-58.84	336.31	5.24	-53.60
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017179799	0	35	-1.0	-56.17	302.22	6.54	-49.63
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017179800	0	34	-1.0	-55.63	317.85	7.11	-48.52
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179801	0	37	-1.0	-49.41	297.13	6.27	-43.14
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017179802	0	34	-1.0	-45.08	311.13	6.15	-38.93
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C(Br)C=CS1	REAL300017179803	0	29	-1.0	-49.96	286.61	4.46	-45.50
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017179804	0	36	-1.0	-50.55	305.80	5.22	-45.33
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300017179805	0	40	-1.0	-50.67	319.23	6.19	-44.48
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017179806	0	34	-1.0	-53.97	309.10	4.39	-49.58
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017179807	0	40	-1.0	-51.25	336.01	4.19	-47.06
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017179808	0	31	-1.0	-46.14	296.43	4.10	-42.04
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017179809	0	34	-1.0	-45.87	304.00	5.67	-40.20
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017179810	0	34	-1.0	-45.49	317.65	5.90	-39.59
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179811	0	41	-1.0	-58.86	353.17	3.56	-55.30
CCN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300017179812	0	37	-1.0	-50.56	320.11	5.75	-44.81
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017179813	0	34	-1.0	-51.15	298.98	6.32	-44.83
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017179814	0	34	-1.0	-46.72	308.47	5.74	-40.98
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017179815	0	39	-1.0	-51.71	344.82	5.69	-46.02
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017179816	0	34	-1.0	-56.52	315.47	7.15	-49.37
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017179817	0	46	-1.0	-52.10	385.16	8.28	-43.82
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(F)=C1	REAL300017179818	0	40	-1.0	-56.38	352.75	1.63	-54.75
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179819	0	40	-1.0	-52.86	335.95	6.05	-46.81
CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CC1	REAL300017179820	0	45	-1.0	-53.50	362.11	3.86	-49.64
COC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017179821	0	41	-1.0	-54.32	347.71	6.03	-48.29
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017179822	0	42	-1.0	-55.94	360.52	6.37	-49.57
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017179823	0	35	-1.0	-70.34	304.44	4.09	-66.25
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179824	0	54	-1.0	-50.88	410.51	7.93	-42.95
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179825	0	40	-1.0	-55.71	347.41	1.72	-53.99
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300017179826	0	35	-1.0	-53.22	303.81	5.83	-47.39
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1F	REAL300017179827	0	38	-1.0	-61.78	338.96	2.55	-59.23
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=CC=CC=C12	REAL300017179828	0	45	-1.0	-53.31	358.58	7.41	-45.90
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179829	0	42	-1.0	-54.75	341.62	6.48	-48.27
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017179830	0	37	-1.0	-55.00	321.52	4.95	-50.05
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017179831	0	39	-1.0	-55.08	335.12	5.92	-49.16
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017179832	0	34	-1.0	-55.71	318.28	6.14	-49.57
N#CC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179833	0	33	-1.0	-49.95	290.04	5.20	-44.75
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179834	0	46	-1.0	-54.54	380.72	5.46	-49.08
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179835	0	48	-1.0	-51.56	389.73	7.59	-43.97
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017179836	0	34	-1.0	-53.82	297.72	6.63	-47.19
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1F	REAL300017179837	0	38	-1.0	-50.03	333.22	5.68	-44.35
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C(Cl)C=C1Cl	REAL300017179838	0	38	-1.0	-47.62	347.27	6.40	-41.22
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179839	0	42	-1.0	-60.98	352.72	5.56	-55.42
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])S1	REAL300017179840	0	38	-1.0	-56.10	343.77	5.44	-50.66
COC(=O)C1=CSC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179841	0	35	-1.0	-48.73	322.36	4.49	-44.24
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179842	0	44	-1.0	-60.00	353.34	6.74	-53.26
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1Cl	REAL300017179843	0	38	-1.0	-49.23	341.21	6.05	-43.18
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1C	REAL300017179844	0	41	-1.0	-49.41	344.02	6.19	-43.22
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179845	0	38	-1.0	-56.23	330.51	5.63	-50.60
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017179846	0	42	-1.0	-51.07	322.58	7.04	-44.03
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017179847	0	38	-1.0	-56.52	326.04	6.57	-49.95
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300017179848	0	31	-1.0	-47.87	289.60	3.54	-44.33
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017179849	0	36	-1.0	-48.30	330.26	6.47	-41.83
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300017179850	0	37	-1.0	-49.68	308.76	4.04	-45.64
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017179851	0	37	-1.0	-49.30	324.55	0.48	-48.82
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C2S1	REAL300017179852	0	46	-1.0	-51.77	386.06	6.71	-45.06
COC(=O)CC1(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CC1	REAL300017179853	0	41	-1.0	-51.28	340.28	5.33	-45.95
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179854	0	37	-1.0	-55.50	331.45	5.27	-50.23
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C(F)C=C1F	REAL300017179855	0	35	-1.0	-46.99	302.92	5.70	-41.29
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179856	0	39	-1.0	-54.46	337.88	6.06	-48.40
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CC=C21	REAL300017179857	0	44	-1.0	-51.98	363.72	6.30	-45.68
CCCCCCN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(=O)NC1=O	REAL300017179858	0	50	-1.0	-49.05	407.88	5.76	-43.29
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C2F)N=C1	REAL300017179859	0	42	-1.0	-59.65	358.50	7.04	-52.61
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])S1	REAL300017179860	0	39	-1.0	-54.91	351.70	4.20	-50.71
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179861	0	39	-1.0	-61.55	337.47	-0.23	-61.78
CC1=CC(F)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1F	REAL300017179862	0	35	-1.0	-50.40	302.91	5.71	-44.69
CC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017179863	0	37	-1.0	-52.82	323.89	6.52	-46.30
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300017179864	0	29	-1.0	-51.73	280.15	3.61	-48.12
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300017179865	0	38	-1.0	-53.53	329.72	6.17	-47.36
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017179866	0	29	-1.0	-46.76	295.69	5.12	-41.64
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017179867	0	35	-1.0	-50.84	319.66	6.32	-44.52
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017179868	0	35	-1.0	-50.89	329.97	6.76	-44.13
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017179869	0	38	-1.0	-48.06	340.35	7.91	-40.15
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300017179870	0	35	-1.0	-49.46	321.61	6.74	-42.72
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017179871	0	38	-1.0	-55.53	322.03	7.97	-47.56
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017179872	0	38	-1.0	-53.12	325.09	7.65	-45.47
CN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017179873	0	43	-1.0	-53.71	378.63	3.78	-49.93
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CN1C	REAL300017179874	0	42	-1.0	-61.47	357.55	5.86	-55.61
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CC=C2O1	REAL300017179875	0	46	-1.0	-51.91	386.58	7.01	-44.90
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1F	REAL300017179876	0	38	-1.0	-53.36	338.34	2.31	-51.05
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179877	0	41	-1.0	-58.73	363.77	4.83	-53.90
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179878	0	45	-1.0	-58.70	380.43	6.53	-52.17
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])SC2=CC=CC(F)=C12	REAL300017179879	0	38	-1.0	-53.01	328.43	7.06	-45.95
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017179880	0	43	-1.0	-60.12	373.62	2.09	-58.03
N#CC1=CC(F)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(F)=C1	REAL300017179881	0	33	-1.0	-51.66	303.21	5.69	-45.97
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1N(C)C	REAL300017179882	0	43	-1.0	-53.17	348.49	5.65	-47.52
CN1C(Cl)=NC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179883	0	32	-1.0	-46.87	290.24	3.93	-42.94
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179884	0	37	-1.0	-55.12	321.52	6.56	-48.56
CSC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1Cl	REAL300017179885	0	36	-1.0	-47.37	328.44	6.23	-41.14
CN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])N=C1Cl	REAL300017179886	0	32	-1.0	-48.51	294.57	3.63	-44.88
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179887	0	35	-1.0	-51.69	309.13	5.60	-46.09
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017179888	0	44	-1.0	-53.93	374.59	7.54	-46.39
CN(C)C1=CC=C(Br)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179889	0	40	-1.0	-50.97	333.58	5.88	-45.09
CC1=NN2C=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=NC2=C1Cl	REAL300017179890	0	37	-1.0	-50.98	334.71	5.00	-45.98
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179891	0	38	-1.0	-56.61	337.76	7.06	-49.55
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179892	0	44	-1.0	-50.40	340.04	5.10	-45.30
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C12	REAL300017179893	0	39	-1.0	-48.70	335.14	2.72	-45.98
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017179894	0	37	-1.0	-46.70	326.91	6.32	-40.38
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017179895	0	38	-1.0	-50.83	340.18	7.64	-43.19
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179896	0	38	-1.0	-56.49	327.43	6.61	-49.88
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017179897	0	35	-1.0	-68.52	303.53	4.20	-64.32
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017179898	0	35	-1.0	-48.01	332.41	6.65	-41.36
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179899	0	40	-1.0	-63.59	349.99	3.24	-60.35
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017179900	0	31	-1.0	-46.55	292.51	4.01	-42.54
COC(=O)C1CCCCC1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179901	0	44	-1.0	-55.95	343.64	6.68	-49.27
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C2)CC1	REAL300017179902	0	45	-1.0	-55.07	372.23	7.64	-47.43
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300017179903	0	39	-1.0	-62.58	319.78	5.06	-57.52
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179904	0	36	-1.0	-49.10	333.68	6.31	-42.79
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017179905	0	38	-1.0	-48.06	341.79	2.85	-45.21
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179906	0	36	-1.0	-51.43	325.41	5.56	-45.87
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017179907	0	41	-1.0	-60.41	339.56	8.79	-51.62
CCC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C(C(=O)OC)O1	REAL300017179908	0	41	-1.0	-54.83	340.79	4.99	-49.84
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017179909	0	49	-1.0	-59.01	385.48	6.55	-52.46
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1F	REAL300017179910	0	39	-1.0	-49.23	318.11	4.99	-44.24
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017179911	0	52	-1.0	-61.50	391.90	6.66	-54.84
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017179912	0	46	-1.0	-56.66	366.95	5.37	-51.29
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017179913	0	43	-1.0	-55.49	372.30	5.91	-49.58
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179914	0	40	-1.0	-54.50	349.19	7.21	-47.29
N#CC1(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CCCCC1	REAL300017179915	0	42	-1.0	-54.81	328.62	5.94	-48.87
CC1(CS(=O)(=O)N2CCC[C@H]2CC(=O)[O-])CCCCC1	REAL300017179916	0	44	-1.0	-49.65	324.93	6.35	-43.30
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017179917	0	41	-1.0	-52.52	336.32	6.21	-46.31
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017179918	0	35	-1.0	-50.41	313.48	3.65	-46.76
COC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1F	REAL300017179919	0	36	-1.0	-48.58	308.96	4.14	-44.44
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179920	0	43	-1.0	-56.02	357.41	5.29	-50.73
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179921	0	46	-1.0	-55.95	385.22	6.26	-49.69
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179922	0	41	-1.0	-52.64	316.72	6.61	-46.03
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017179923	0	46	-1.0	-53.74	384.00	8.42	-45.32
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CC=C2O1	REAL300017179924	0	47	-1.0	-50.87	397.59	7.68	-43.19
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179925	0	44	-1.0	-59.66	357.42	7.08	-52.58
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017179926	0	32	-1.0	-45.05	302.09	5.90	-39.15
CC1=C(Cl)SC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179927	0	32	-1.0	-47.19	302.82	5.23	-41.96
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(F)=C1	REAL300017179928	0	36	-1.0	-49.54	305.24	4.29	-45.25
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1[N+](=O)[O-]	REAL300017179929	0	40	-1.0	-67.72	327.44	8.01	-59.71
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017179930	0	38	-1.0	-53.54	334.91	6.80	-46.74
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017179931	0	42	-1.0	-48.00	352.22	7.58	-40.42
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179932	0	40	-1.0	-52.37	339.93	3.24	-49.13
CN(C)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179933	0	40	-1.0	-52.76	325.64	5.21	-47.55
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017179934	0	38	-1.0	-50.68	321.69	5.38	-45.30
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017179936	0	35	-1.0	-51.42	307.07	5.71	-45.71
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017179937	0	35	-1.0	-48.14	329.05	6.31	-41.83
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017179938	0	35	-1.0	-46.54	314.51	6.00	-40.54
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179939	0	35	-1.0	-47.55	315.96	6.05	-41.50
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179940	0	43	-1.0	-58.82	346.78	3.45	-55.37
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179941	0	36	-1.0	-53.83	302.88	5.74	-48.09
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179942	0	43	-1.0	-67.48	355.45	4.50	-62.98
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017179943	0	44	-1.0	-52.45	366.66	4.51	-47.94
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017179944	0	38	-1.0	-47.10	337.36	5.83	-41.27
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017179945	0	42	-1.0	-54.17	364.08	4.32	-49.85
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017179946	0	43	-1.0	-65.85	372.78	6.84	-59.01
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(OC)=C1	REAL300017179947	0	42	-1.0	-51.75	352.72	5.55	-46.20
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179948	0	35	-1.0	-49.72	310.30	6.28	-43.44
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017179949	0	40	-1.0	-59.02	327.91	6.83	-52.19
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017179950	0	40	-1.0	-56.73	338.73	6.13	-50.60
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017179951	0	38	-1.0	-57.60	314.74	1.51	-56.09
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CC=C21	REAL300017179952	0	42	-1.0	-51.81	353.33	5.69	-46.12
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017179953	0	37	-1.0	-58.63	322.15	5.19	-53.44
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(F)=C1	REAL300017179954	0	36	-1.0	-54.65	312.04	4.61	-50.04
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(C)=C1	REAL300017179955	0	42	-1.0	-51.67	332.10	5.76	-45.91
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179956	0	40	-1.0	-61.11	350.48	1.18	-59.93
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179957	0	41	-1.0	-52.59	333.40	6.48	-46.11
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017179958	0	36	-1.0	-53.84	308.17	5.15	-48.69
CSC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179959	0	36	-1.0	-52.07	314.08	6.03	-46.04
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179960	0	44	-1.0	-52.06	371.95	7.39	-44.67
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179961	0	42	-1.0	-60.56	350.37	4.71	-55.85
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017179962	0	38	-1.0	-53.15	336.14	6.75	-46.40
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179963	0	43	-1.0	-49.98	343.90	6.67	-43.31
CCN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])N=C1C	REAL300017179964	0	38	-1.0	-54.74	319.46	4.80	-49.94
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017179965	0	31	-1.0	-45.64	292.17	3.93	-41.71
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017179966	0	38	-1.0	-54.12	313.18	4.72	-49.40
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300017179967	0	37	-1.0	-52.77	303.46	5.25	-47.52
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017179968	0	44	-1.0	-54.12	369.67	6.84	-47.28
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017179969	0	32	-1.0	-49.20	282.08	5.06	-44.14
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017179970	0	32	-1.0	-49.69	297.07	5.62	-44.07
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(F)(F)F	REAL300017179971	0	38	-1.0	-53.92	328.28	6.52	-47.40
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017179972	0	38	-1.0	-49.81	346.68	5.76	-44.05
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C12	REAL300017179973	0	40	-1.0	-50.26	340.30	4.75	-45.51
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017179974	0	35	-1.0	-48.71	325.48	6.24	-42.47
CC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])C=C12	REAL300017179975	0	36	-1.0	-49.26	313.61	1.99	-47.27
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017179976	0	41	-1.0	-53.73	355.43	7.86	-45.87
COCC1=CC=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179977	0	39	-1.0	-51.00	327.96	4.50	-46.50
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017179978	0	34	-1.0	-52.33	311.19	6.16	-46.17
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C(C(=O)OC)S1	REAL300017179979	0	41	-1.0	-55.25	363.78	5.94	-49.31
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179980	0	38	-1.0	-57.23	327.39	6.61	-50.62
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017179981	0	35	-1.0	-54.69	312.36	6.04	-48.65
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017179982	0	44	-1.0	-62.04	370.48	3.51	-58.53
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017179983	0	39	-1.0	-49.94	344.82	5.39	-44.55
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017179984	0	32	-1.0	-49.04	301.40	5.98	-43.06
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCC[C@H]3CC(=O)[O-])=CN=C21	REAL300017179985	0	40	-1.0	-53.97	343.55	2.43	-51.54
CC1=CC=C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300017190737	0	38	-1.0	-51.51	329.10	6.05	-45.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC#N)C=C2)C1	REAL300017190738	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	REAL300017190739	0	38	-1.0	-49.47	342.37	5.31	-44.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C1	REAL300017190740	0	44	-1.0	-51.10	363.26	6.06	-45.04
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300017190741	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	REAL300017190742	0	40	-1.0	-56.04	332.53	6.06	-49.98
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300017190743	0	40	-1.0	-55.03	343.85	6.47	-48.56
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300017190744	0	43	-1.0	-47.81	353.40	3.08	-44.73
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190745	0	46	-1.0	-50.69	393.67	5.71	-44.98
CCCN1C=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190746	0	38	-1.0	-54.17	326.53	5.34	-48.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=C(C#N)C=C2F)C1	REAL300017190747	0	33	-1.0	-44.00	320.43	5.45	-38.55
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C#N)SC=C2)C1	REAL300017190748	0	30	-1.0	-54.56	280.40	3.72	-50.84
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCC(F)CC2)C1	REAL300017190749	0	41	-1.0	-50.82	326.57	5.76	-45.06
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300017190750	0	35	-1.0	-46.31	314.05	5.70	-40.61
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300017190751	0	38	-1.0	-52.51	326.70	5.58	-46.93
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)=N1	REAL300017190752	0	41	-1.0	-48.42	363.48	6.02	-42.40
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1F	REAL300017190753	0	38	-1.0	-55.77	348.12	5.64	-50.13
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190754	0	41	-1.0	-54.49	353.55	5.80	-48.69
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190755	0	38	-1.0	-51.38	334.75	6.51	-44.87
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300017190756	0	35	-1.0	-50.45	322.65	5.83	-44.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300017190757	0	32	-1.0	-47.44	314.78	5.69	-41.75
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190758	0	39	-1.0	-59.29	332.19	1.96	-57.33
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017190759	0	57	-1.0	-47.02	456.61	9.45	-37.57
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017190760	0	47	-1.0	-49.76	386.13	6.87	-42.89
CCC1CCN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300017190761	0	43	-1.0	-50.53	334.08	5.03	-45.50
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300017190762	0	38	-1.0	-48.28	330.11	6.17	-42.11
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300017190763	0	38	-1.0	-53.28	329.91	6.12	-47.16
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300017190764	0	38	-1.0	-52.30	336.96	6.46	-45.84
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190765	0	36	-1.0	-47.03	327.69	5.09	-41.94
COC1=CC2=C(C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C(=O)NCCC2	REAL300017190766	0	47	-1.0	-56.88	378.23	3.56	-53.32
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)S2)C1	REAL300017190767	0	43	-1.0	-54.16	369.38	5.06	-49.10
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300017190768	0	39	-1.0	-49.10	354.33	7.07	-42.03
COC1CCN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300017190769	0	41	-1.0	-51.02	327.97	2.76	-48.26
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300017190770	0	35	-1.0	-50.08	325.88	5.96	-44.12
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190771	0	45	-1.0	-47.56	368.13	6.28	-41.28
CC(CC(F)(F)F)CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190772	0	37	-1.0	-52.09	313.82	4.83	-47.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C1	REAL300017190773	0	39	-1.0	-52.42	345.61	6.46	-45.96
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=C2)=N1	REAL300017190774	0	44	-1.0	-47.47	361.50	4.12	-43.35
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190775	0	36	-1.0	-51.41	307.11	4.52	-46.89
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)O1	REAL300017190776	0	38	-1.0	-46.27	336.03	3.99	-42.28
CCC1=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1CC1CC1	REAL300017190777	0	45	-1.0	-54.63	370.88	6.37	-48.26
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2C1	REAL300017190778	0	43	-1.0	-57.08	361.03	5.05	-52.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300017190779	0	35	-1.0	-48.06	317.05	4.06	-44.00
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300017190780	0	35	-1.0	-54.51	326.42	4.35	-50.16
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300017190781	0	51	-1.0	-46.47	409.54	7.66	-38.81
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300017190782	0	40	-1.0	-50.94	337.08	6.62	-44.32
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190783	0	39	-1.0	-48.91	323.36	4.46	-44.45
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300017190784	0	45	-1.0	-46.61	377.54	6.87	-39.74
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300017190785	0	46	-1.0	-47.73	395.56	7.97	-39.76
COC(CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300017190786	0	42	-1.0	-52.23	360.41	5.74	-46.49
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C1	REAL300017190787	0	44	-1.0	-51.31	363.08	6.04	-45.27
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017190788	0	40	-1.0	-48.38	359.08	3.46	-44.92
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=CC=C12	REAL300017190789	0	44	-1.0	-50.47	363.38	7.15	-43.32
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300017190790	0	43	-1.0	-52.59	362.80	3.70	-48.89
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C(F)F)CCCC2)C1	REAL300017190791	0	41	-1.0	-51.64	325.35	5.79	-45.85
CCOC1(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CCOCC1	REAL300017190792	0	46	-1.0	-47.53	354.90	3.31	-44.22
CCOC(CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C1CC1	REAL300017190793	0	42	-1.0	-48.70	342.10	4.94	-43.76
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1F	REAL300017190794	0	38	-1.0	-55.75	337.79	5.19	-50.56
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=C(Cl)C=C21	REAL300017190795	0	43	-1.0	-54.56	364.38	5.95	-48.61
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190796	0	35	-1.0	-47.44	317.32	3.24	-44.20
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300017190797	0	43	-1.0	-46.64	378.68	8.71	-37.93
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190798	0	35	-1.0	-45.75	311.75	5.72	-40.03
CC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Br	REAL300017190799	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	REAL300017190800	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	REAL300017190801	0	40	-1.0	-50.62	338.07	2.43	-48.19
COC1=CC(Br)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190802	0	36	-1.0	-47.38	327.06	4.44	-42.94
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017190803	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	REAL300017190804	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	REAL300017190805	0	39	-1.0	-51.15	336.02	2.16	-48.99
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190806	0	45	-1.0	-47.73	366.60	6.01	-41.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300017190807	0	39	-1.0	-50.61	340.63	5.06	-45.55
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300017190808	0	59	-1.0	-50.43	465.39	9.12	-41.31
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300017190809	0	40	-1.0	-51.60	351.92	6.78	-44.82
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(Br)=C2)C1	REAL300017190810	0	32	-1.0	-43.88	305.09	5.28	-38.60
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(F)C=C2F)C1	REAL300017190811	0	35	-1.0	-50.50	314.57	5.41	-45.09
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300017190812	0	39	-1.0	-59.79	343.18	2.48	-57.31
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300017190813	0	41	-1.0	-56.99	352.68	5.53	-51.46
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190814	0	35	-1.0	-46.52	306.55	5.61	-40.91
COCC1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190815	0	39	-1.0	-52.15	325.12	4.78	-47.37
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300017190816	0	36	-1.0	-45.77	328.00	4.58	-41.19
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)SC(S(C)(=O)=O)=C2)C1	REAL300017190817	0	35	-1.0	-51.98	338.30	1.40	-50.58
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300017190818	0	35	-1.0	-53.32	320.72	3.65	-49.67
CC1(C)CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300017190819	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	REAL300017190820	0	40	-1.0	-49.51	357.04	1.39	-48.12
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300017190821	0	43	-1.0	-48.62	378.50	2.28	-46.34
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1OC	REAL300017190822	0	49	-1.0	-50.26	408.99	3.78	-46.48
CCC1=CC=C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017190823	0	41	-1.0	-51.45	345.27	6.78	-44.67
COC1=CC=C(Br)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190824	0	36	-1.0	-48.03	316.91	4.34	-43.69
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300017190825	0	47	-1.0	-51.26	391.84	5.05	-46.21
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190826	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	REAL300017190827	0	34	-1.0	-46.76	326.86	4.51	-42.25
CC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300017190828	0	37	-1.0	-47.24	335.64	5.65	-41.59
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190829	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	REAL300017190830	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	REAL300017190831	0	39	-1.0	-45.89	349.85	5.51	-40.38
CC1(C(=O)[O-])CCN(S(=O)(=O)CCNC(=O)OCC2=CC=CC=C2)C1	REAL300017190832	0	46	-1.0	-55.89	396.33	4.01	-51.88
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=C(F)C=CC=C2F)C1	REAL300017190833	0	35	-1.0	-56.84	311.22	5.35	-51.49
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190834	0	45	-1.0	-51.04	385.16	6.23	-44.81
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCOC(C)(C)C2)C1	REAL300017190835	0	41	-1.0	-45.81	322.40	2.74	-43.07
COC1=C(C)C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300017190836	0	42	-1.0	-47.39	351.67	5.50	-41.89
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017190837	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	REAL300017190838	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	REAL300017190839	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	REAL300017190840	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	REAL300017190841	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	REAL300017190842	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	REAL300017190843	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	REAL300017190844	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	REAL300017190845	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	REAL300017190846	0	43	-1.0	-48.94	361.24	4.02	-44.92
COCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300017190847	0	46	-1.0	-48.66	383.13	4.85	-43.81
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300017190848	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	REAL300017190849	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	REAL300017190850	0	47	-1.0	-52.99	383.36	4.04	-48.95
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190851	0	42	-1.0	-57.69	350.23	4.47	-53.22
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300017190852	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	REAL300017190853	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	REAL300017190854	0	38	-1.0	-53.22	341.75	6.96	-46.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C1	REAL300017190855	0	33	-1.0	-45.13	314.30	5.42	-39.71
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190856	0	35	-1.0	-43.99	307.61	5.74	-38.25
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300017190857	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	REAL300017190858	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	REAL300017190859	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	REAL300017190860	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	REAL300017190861	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	REAL300017190862	0	48	-1.0	-50.95	388.93	6.28	-44.67
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300017190863	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	REAL300017190864	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	REAL300017190865	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	REAL300017190866	0	35	-1.0	-52.22	316.30	3.37	-48.85
CC1=NC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300017190867	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	REAL300017190868	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	REAL300017190869	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	REAL300017190870	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	REAL300017190871	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	REAL300017190872	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	REAL300017190873	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	REAL300017190874	0	42	-1.0	-55.19	375.35	4.19	-51.00
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190875	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	REAL300017190876	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	REAL300017190877	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	REAL300017190878	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	REAL300017190879	0	34	-1.0	-53.84	307.06	6.97	-46.87
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190880	0	40	-1.0	-59.66	333.70	6.20	-53.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C1	REAL300017190881	0	35	-1.0	-49.40	318.14	5.52	-43.88
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(N)=O	REAL300017190882	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	REAL300017190883	0	35	-1.0	-44.10	303.02	5.63	-38.47
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190884	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	REAL300017190885	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	REAL300017190886	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	REAL300017190887	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	REAL300017190888	0	41	-1.0	-53.69	357.19	6.01	-47.68
COC(=O)C1CCN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300017190889	0	43	-1.0	-51.27	351.96	4.38	-46.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C1	REAL300017190890	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	REAL300017190891	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	REAL300017190892	0	38	-1.0	-52.08	338.16	4.29	-47.79
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017190893	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	REAL300017190894	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	REAL300017190895	0	36	-1.0	-59.29	317.40	4.94	-54.35
CCOC(=O)CCCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190896	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	REAL300017190897	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	REAL300017190898	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	REAL300017190899	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	REAL300017190900	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	REAL300017190901	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	REAL300017190902	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	REAL300017190903	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	REAL300017190904	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	REAL300017190905	0	40	-1.0	-49.98	340.05	3.73	-46.25
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300017190906	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	REAL300017190907	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	REAL300017190908	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	REAL300017190909	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	REAL300017190910	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	REAL300017190911	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	REAL300017190912	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	REAL300017190913	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	REAL300017190914	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	REAL300017190915	0	46	-1.0	-48.59	387.52	7.79	-40.80
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2F)C1	REAL300017190916	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	REAL300017190917	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	REAL300017190918	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	REAL300017190919	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	REAL300017190920	0	42	-1.0	-48.90	362.24	6.12	-42.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300017190921	0	35	-1.0	-58.05	305.08	3.76	-54.29
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190922	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	REAL300017190923	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	REAL300017190924	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	REAL300017190925	0	38	-1.0	-53.79	343.17	2.16	-51.63
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300017190926	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	REAL300017190927	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	REAL300017190928	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	REAL300017190929	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	REAL300017190930	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	REAL300017190931	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	REAL300017190932	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	REAL300017190933	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	REAL300017190934	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	REAL300017190935	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	REAL300017190936	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	REAL300017190937	0	42	-1.0	-54.60	356.90	5.16	-49.44
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300017190938	0	38	-1.0	-52.11	345.63	5.14	-46.97
COC(=O)C1=CSC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190939	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	REAL300017190940	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=C1Cl	REAL300017190941	0	38	-1.0	-46.37	345.40	5.65	-40.72
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1C	REAL300017190942	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	REAL300017190943	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	REAL300017190944	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	REAL300017190945	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	REAL300017190946	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	REAL300017190947	0	36	-1.0	-44.81	332.66	5.98	-38.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300017190948	0	37	-1.0	-49.25	313.27	3.84	-45.41
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)C1	REAL300017190949	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	REAL300017190950	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	REAL300017190951	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	REAL300017190952	0	37	-1.0	-49.90	336.09	4.87	-45.03
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(F)C=C1F	REAL300017190953	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	REAL300017190954	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	REAL300017190955	0	44	-1.0	-50.11	369.77	6.13	-43.98
CCCCCCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(=O)NC1=O	REAL300017190956	0	50	-1.0	-51.11	412.40	5.31	-45.80
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2F)N=C1	REAL300017190957	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	REAL300017190958	0	39	-1.0	-49.90	354.53	4.46	-45.44
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190959	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	REAL300017190960	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-]	REAL300017190961	0	37	-1.0	-47.22	329.11	6.11	-41.11
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300017190962	0	29	-1.0	-50.72	281.14	3.30	-47.42
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300017190963	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	REAL300017190964	0	29	-1.0	-43.01	299.19	4.64	-38.37
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C1	REAL300017190965	0	35	-1.0	-47.06	323.43	6.12	-40.94
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300017190966	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	REAL300017190967	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	REAL300017190968	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	REAL300017190969	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	REAL300017190970	0	38	-1.0	-50.49	329.98	7.14	-43.35
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)NCC(F)(F)F	REAL300017190971	0	43	-1.0	-50.65	382.84	3.58	-47.07
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1C	REAL300017190972	0	42	-1.0	-54.89	361.12	5.66	-49.23
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300017190973	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	REAL300017190974	0	38	-1.0	-50.61	343.18	2.16	-48.45
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2CS(C)(=O)=O)C1	REAL300017190975	0	41	-1.0	-55.53	367.48	4.42	-51.11
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017190976	0	45	-1.0	-55.00	383.78	6.07	-48.93
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)SC2=CC=CC(F)=C12	REAL300017190977	0	38	-1.0	-49.11	336.24	6.66	-42.45
CC1(C(=O)[O-])CCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300017190978	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	REAL300017190979	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	REAL300017190980	0	43	-1.0	-47.77	352.70	5.27	-42.50
CN1C(Cl)=NC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190981	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	REAL300017190982	0	37	-1.0	-43.16	328.92	6.10	-37.06
CSC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017190983	0	36	-1.0	-45.92	333.29	6.09	-39.83
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)N=C1Cl	REAL300017190984	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	REAL300017190985	0	35	-1.0	-52.91	312.45	5.03	-47.88
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC(=O)OCC2=CC=CC=C2)C1	REAL300017190986	0	44	-1.0	-52.52	380.14	7.09	-45.43
CN(C)C1=CC=C(Br)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190987	0	40	-1.0	-47.94	339.91	5.47	-42.47
CC1=NN2C=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=NC2=C1Cl	REAL300017190988	0	37	-1.0	-49.05	339.54	4.56	-44.49
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190989	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	REAL300017190990	0	44	-1.0	-47.48	347.18	4.85	-42.63
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C12	REAL300017190991	0	39	-1.0	-51.02	340.29	2.28	-48.74
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1F	REAL300017190992	0	37	-1.0	-44.76	329.31	5.85	-38.91
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300017190993	0	38	-1.0	-46.55	345.28	7.50	-39.05
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190994	0	38	-1.0	-58.76	329.91	6.47	-52.29
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C1	REAL300017190995	0	35	-1.0	-59.17	306.27	4.07	-55.10
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2Br)C1	REAL300017190996	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	REAL300017190997	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	REAL300017190998	0	31	-1.0	-47.42	295.79	3.54	-43.88
COC(=O)C1CCCCC1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190999	0	44	-1.0	-47.32	342.04	5.29	-42.03
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300017191000	0	45	-1.0	-51.56	375.59	7.17	-44.39
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300017191034	0	35	-1.0	-53.16	312.26	5.54	-47.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300017191035	0	35	-1.0	-44.07	331.73	6.03	-38.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C1	REAL300017191036	0	35	-1.0	-51.11	317.27	5.51	-45.60
CC1=CC(Br)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191037	0	35	-1.0	-47.90	318.97	5.80	-42.10
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191038	0	43	-1.0	-61.89	356.36	3.56	-58.33
CSC1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191039	0	36	-1.0	-55.59	305.91	5.27	-50.32
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191040	0	43	-1.0	-69.27	361.00	4.63	-64.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300017191041	0	44	-1.0	-63.87	367.92	3.99	-59.88
COC1=C(F)C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017191042	0	38	-1.0	-44.42	339.80	5.35	-39.07
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017191043	0	42	-1.0	-49.89	368.62	3.92	-45.97
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C1	REAL300017191044	0	43	-1.0	-53.57	376.99	6.44	-47.13
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(OC)=C1	REAL300017191045	0	42	-1.0	-53.74	355.39	5.11	-48.63
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191046	0	35	-1.0	-45.53	311.75	5.73	-39.80
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017191047	0	40	-1.0	-50.69	328.06	6.21	-44.48
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300017191048	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	REAL300017191049	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	REAL300017191050	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	REAL300017191051	0	37	-1.0	-49.94	324.52	4.70	-45.24
COC1=CC(F)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300017191052	0	36	-1.0	-48.57	314.27	4.11	-44.46
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300017191053	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	REAL300017191054	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	REAL300017191055	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	REAL300017191056	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	REAL300017191057	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	REAL300017191058	0	44	-1.0	-47.08	374.40	6.90	-40.18
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017191059	0	42	-1.0	-51.47	352.92	4.23	-47.24
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300017191060	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	REAL300017191061	0	43	-1.0	-49.86	348.62	6.37	-43.49
CCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)N=C1C	REAL300017191062	0	38	-1.0	-51.59	323.63	4.42	-47.17
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C1	REAL300017191063	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	REAL300017191064	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	REAL300017191065	0	37	-1.0	-49.60	307.09	4.69	-44.91
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300017191066	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	REAL300017191067	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	REAL300017191068	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	REAL300017191069	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	REAL300017191070	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	REAL300017191071	0	40	-1.0	-50.62	345.37	4.30	-46.32
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Br)C=C2F)C1	REAL300017191072	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	REAL300017191073	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	REAL300017191074	0	41	-1.0	-48.87	357.81	7.37	-41.50
COCC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191075	0	39	-1.0	-48.93	333.16	4.33	-44.60
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)C1	REAL300017191076	0	34	-1.0	-44.46	314.57	5.65	-38.81
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300017191077	0	41	-1.0	-54.97	373.73	5.70	-49.27
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191078	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	REAL300017191079	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	REAL300017191080	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	REAL300017191081	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	REAL300017191082	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	REAL300017191083	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	REAL300017191116	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	REAL300017191117	0	40	-1.0	-52.15	342.42	5.56	-46.59
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2Cl)C1	REAL300017191118	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	REAL300017191119	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	REAL300017191120	0	35	-1.0	-54.07	327.65	6.18	-47.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C1	REAL300017191121	0	33	-1.0	-52.13	304.08	5.27	-46.86
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017191122	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	REAL300017191123	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	REAL300017191124	0	36	-1.0	-45.97	329.22	4.74	-41.23
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191125	0	44	-1.0	-48.15	325.88	7.50	-40.65
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191126	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	REAL300017191127	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	REAL300017191128	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	REAL300017191129	0	43	-1.0	-49.73	384.50	7.92	-41.81
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300017191130	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	REAL300017191131	0	38	-1.0	-47.20	361.74	5.83	-41.37
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300017191132	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	REAL300017191133	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	REAL300017191134	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	REAL300017191135	0	44	-1.0	-50.74	357.59	5.17	-45.57
CCOC(=O)N1CCC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300017191136	0	46	-1.0	-59.03	367.76	4.50	-54.53
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)=CO1	REAL300017191137	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	REAL300017191138	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	REAL300017191139	0	35	-1.0	-51.80	307.85	5.01	-46.79
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300017191140	0	35	-1.0	-47.64	302.32	3.18	-44.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300017191141	0	40	-1.0	-48.90	332.72	5.20	-43.70
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191142	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	REAL300017191143	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	REAL300017191144	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	REAL300017191145	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	REAL300017191146	0	42	-1.0	-52.53	358.23	6.33	-46.20
CC1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017191147	0	50	-1.0	-54.11	417.69	6.68	-47.43
CC1(C(=O)[O-])CCN(S(=O)(=O)[C@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017191148	0	50	-1.0	-51.97	417.34	6.70	-45.27
CC1(C(=O)[O-])CCN(S(=O)(=O)C2CN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017191149	0	47	-1.0	-56.80	400.75	5.98	-50.82
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300017191150	0	34	-1.0	-48.78	316.06	4.95	-43.83
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C21	REAL300017191151	0	43	-1.0	-57.95	357.26	5.66	-52.29
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2Br)C1	REAL300017191152	0	32	-1.0	-45.91	302.27	5.49	-40.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C1	REAL300017191153	0	32	-1.0	-43.80	314.22	5.69	-38.11
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191154	0	42	-1.0	-49.82	336.78	6.17	-43.65
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1C#N	REAL300017191155	0	36	-1.0	-46.37	318.05	5.50	-40.87
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300017191156	0	38	-1.0	-47.53	337.40	5.30	-42.23
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191157	0	36	-1.0	-49.04	318.97	5.00	-44.04
COC1=CC=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191158	0	39	-1.0	-47.08	317.73	4.36	-42.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C(Br)=C2)C1	REAL300017191159	0	33	-1.0	-44.96	318.58	5.51	-39.45
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017191160	0	39	-1.0	-48.64	330.25	4.91	-43.73
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300017191161	0	38	-1.0	-46.07	351.47	5.47	-40.60
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300017191162	0	39	-1.0	-51.14	339.28	3.63	-47.51
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1OC	REAL300017191163	0	40	-1.0	-48.63	342.41	4.09	-44.54
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300017191164	0	36	-1.0	-47.64	323.56	4.26	-43.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C1	REAL300017191165	0	35	-1.0	-46.50	322.41	5.67	-40.83
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300017191166	0	43	-1.0	-52.27	370.45	1.57	-50.70
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C2S1	REAL300017191167	0	44	-1.0	-50.72	393.21	7.66	-43.06
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(CC#N)=C2)C1	REAL300017191168	0	36	-1.0	-52.07	320.32	5.78	-46.29
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300017191169	0	36	-1.0	-51.74	315.37	4.29	-47.45
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C1	REAL300017191170	0	37	-1.0	-56.14	333.04	0.13	-56.01
CC1=CC2=C(C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1)OCO2	REAL300017191171	0	38	-1.0	-47.12	308.50	3.64	-43.48
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191172	0	38	-1.0	-54.40	326.46	5.72	-48.68
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300017191173	0	32	-1.0	-50.05	300.06	5.39	-44.66
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191174	0	38	-1.0	-45.38	308.85	6.03	-39.35
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300017191175	0	32	-1.0	-45.10	304.16	5.56	-39.54
COC1=CC2=C(C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1)OCC(=O)N2	REAL300017191176	0	42	-1.0	-52.14	351.36	1.66	-50.48
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)S2)C1	REAL300017191177	0	30	-1.0	-46.46	291.10	4.15	-42.31
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300017191178	0	33	-1.0	-50.59	298.75	3.00	-47.59
COC1=CN=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191179	0	35	-1.0	-51.03	301.35	2.04	-48.99
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Br)=C2F)C1	REAL300017191180	0	32	-1.0	-46.83	300.66	5.15	-41.68
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1OC	REAL300017191181	0	42	-1.0	-48.96	360.16	5.32	-43.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C1	REAL300017191182	0	36	-1.0	-50.20	327.52	1.81	-48.39
CCOC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191183	0	39	-1.0	-50.17	329.44	4.84	-45.33
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=C2O1	REAL300017191184	0	43	-1.0	-54.49	354.11	5.83	-48.66
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)C1	REAL300017191185	0	36	-1.0	-48.83	334.75	5.80	-43.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2C#N)C1	REAL300017191223	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	REAL300017191224	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	REAL300017191225	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	REAL300017191226	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-]	REAL300017191227	0	37	-1.0	-46.00	322.30	5.80	-40.20
CC1=CC=C(Br)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191228	0	35	-1.0	-48.95	307.76	5.66	-43.29
COC(=O)C1=COC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191229	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	REAL300017191230	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	REAL300017191231	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	REAL300017191232	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	REAL300017191233	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	REAL300017191234	0	42	-1.0	-61.35	351.69	4.36	-56.99
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCC(F)(F)F)C1	REAL300017191235	0	34	-1.0	-53.27	304.06	4.23	-49.04
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300017191236	0	37	-1.0	-57.90	326.19	4.65	-53.25
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C1	REAL300017191237	0	38	-1.0	-50.09	319.90	2.49	-47.60
CN1CCCC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C21	REAL300017191238	0	44	-1.0	-49.66	352.55	5.17	-44.49
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300017191239	0	34	-1.0	-45.14	311.76	3.84	-41.30
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191240	0	35	-1.0	-49.66	305.16	5.55	-44.11
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191241	0	40	-1.0	-54.05	331.22	5.08	-48.97
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN=C1Cl	REAL300017191242	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	REAL300017191243	0	38	-1.0	-52.19	330.43	3.65	-48.54
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C1	REAL300017191244	0	31	-1.0	-45.26	299.26	4.38	-40.88
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300017191245	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	REAL300017191246	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	REAL300017191247	0	40	-1.0	-50.38	337.59	3.21	-47.17
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C1	REAL300017191248	0	33	-1.0	-52.77	304.05	5.27	-47.50
CN1C=NC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300017191249	0	38	-1.0	-56.87	326.87	5.96	-50.91
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017191250	0	40	-1.0	-58.18	322.23	6.08	-52.10
CCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1CC	REAL300017191251	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	REAL300017191252	0	40	-1.0	-45.32	330.63	6.62	-38.70
CC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Cl	REAL300017191253	0	35	-1.0	-47.24	303.53	5.51	-41.73
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C)O1	REAL300017191254	0	38	-1.0	-46.54	330.51	3.90	-42.64
CC1=C(C)SC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191255	0	35	-1.0	-47.84	311.74	5.03	-42.81
CC1=CC=CC(F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191256	0	35	-1.0	-47.22	290.97	5.29	-41.93
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CN=C2N)C1	REAL300017191257	0	33	-1.0	-45.95	295.30	2.53	-43.42
CCC1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300017191258	0	34	-1.0	-49.85	306.97	3.17	-46.68
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300017191259	0	38	-1.0	-53.34	315.84	6.09	-47.25
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191260	0	34	-1.0	-51.93	303.75	2.92	-49.01
COC(=O)C1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)SC=N1	REAL300017191261	0	34	-1.0	-59.37	313.80	3.00	-56.37
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC(C)=C1F	REAL300017191262	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	REAL300017191263	0	40	-1.0	-60.47	337.68	3.07	-57.40
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1	REAL300017191264	0	43	-1.0	-51.60	340.79	2.64	-48.96
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1C	REAL300017191265	0	39	-1.0	-55.21	339.26	4.73	-50.48
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC(Cl)=C2)C1	REAL300017191266	0	31	-1.0	-48.31	288.53	3.26	-45.05
CC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1F	REAL300017191267	0	35	-1.0	-48.22	300.33	5.18	-43.04
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017191268	0	43	-1.0	-47.44	358.88	6.36	-41.08
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(Cl)=CC=C2F)C1	REAL300017191269	0	35	-1.0	-50.99	324.90	5.85	-45.14
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)C1	REAL300017191270	0	35	-1.0	-52.47	324.97	5.90	-46.57
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300017191271	0	32	-1.0	-51.22	294.67	5.41	-45.81
CC1=CC(F)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191272	0	35	-1.0	-48.73	304.08	5.25	-43.48
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN=C1Cl	REAL300017191273	0	35	-1.0	-49.35	317.61	2.52	-46.83
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(C#N)=CC=C2F)C1	REAL300017191274	0	36	-1.0	-54.85	328.99	5.73	-49.12
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300017191275	0	37	-1.0	-47.61	327.00	3.36	-44.25
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300017191276	0	31	-1.0	-49.10	294.11	3.92	-45.18
COCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017191277	0	39	-1.0	-48.30	331.34	4.24	-44.06
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191278	0	37	-1.0	-52.97	321.43	4.85	-48.12
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191279	0	38	-1.0	-46.66	347.78	5.68	-40.98
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C1	REAL300017191280	0	35	-1.0	-47.45	316.72	2.43	-45.02
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300017191281	0	38	-1.0	-46.67	325.30	2.14	-44.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C1	REAL300017191282	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	REAL300017191283	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	REAL300017191284	0	46	-1.0	-57.86	371.07	6.25	-51.61
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300017191285	0	35	-1.0	-49.85	302.34	3.25	-46.60
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191286	0	38	-1.0	-44.04	325.37	6.14	-37.90
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191287	0	42	-1.0	-59.58	362.93	2.00	-57.58
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2CC1	REAL300017191288	0	49	-1.0	-57.15	392.27	6.55	-50.60
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017191289	0	41	-1.0	-46.99	363.02	6.08	-40.91
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191290	0	41	-1.0	-46.51	345.09	6.85	-39.66
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300017191291	0	35	-1.0	-50.64	309.09	5.75	-44.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C1	REAL300017191292	0	35	-1.0	-46.74	323.12	6.59	-40.15
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191293	0	46	-1.0	-58.40	389.63	2.81	-55.59
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191294	0	45	-1.0	-54.26	378.76	6.07	-48.19
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1C	REAL300017191295	0	44	-1.0	-49.04	370.76	6.72	-42.32
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191296	0	44	-1.0	-51.72	376.90	6.97	-44.75
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1OC	REAL300017191297	0	43	-1.0	-52.62	369.99	4.35	-48.27
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(F)C=C1C	REAL300017191298	0	44	-1.0	-47.27	371.10	6.60	-40.67
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300017191299	0	38	-1.0	-50.62	341.04	6.60	-44.02
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191300	0	41	-1.0	-50.85	355.08	6.06	-44.79
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300017191301	0	42	-1.0	-53.95	350.97	7.98	-45.97
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017191302	0	46	-1.0	-52.15	395.42	2.31	-49.84
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300017191303	0	35	-1.0	-50.34	319.10	5.90	-44.44
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1C	REAL300017191304	0	44	-1.0	-53.03	380.10	5.84	-47.19
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300017191305	0	36	-1.0	-54.12	324.50	5.45	-48.67
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300017191306	0	35	-1.0	-48.55	308.45	5.39	-43.16
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191307	0	34	-1.0	-45.81	297.31	3.67	-42.14
CC1=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(Br)N1C	REAL300017191308	0	35	-1.0	-55.23	316.88	3.99	-51.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C1	REAL300017191309	0	33	-1.0	-50.38	300.15	3.42	-46.96
COC(=O)C(C)(C)CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191310	0	40	-1.0	-49.33	327.50	4.54	-44.79
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191311	0	45	-1.0	-58.07	372.04	5.47	-52.60
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300017191312	0	38	-1.0	-52.36	333.24	5.19	-47.17
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191313	0	43	-1.0	-53.36	370.81	3.96	-49.40
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300017191314	0	47	-1.0	-49.32	391.00	7.44	-41.88
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017191315	0	44	-1.0	-55.05	379.93	3.74	-51.31
COC(=O)C1(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CCCC1	REAL300017191316	0	44	-1.0	-60.56	348.13	6.29	-54.27
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191317	0	39	-1.0	-46.14	348.08	4.75	-41.39
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300017191318	0	38	-1.0	-45.08	332.51	6.13	-38.95
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300017191319	0	43	-1.0	-47.12	382.65	7.91	-39.21
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191320	0	41	-1.0	-56.73	353.73	6.00	-50.73
CC1(C(=O)[O-])CCN(S(=O)(=O)CC23CCC(CC2)C3)C1	REAL300017191321	0	42	-1.0	-50.80	328.25	5.99	-44.81
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300017191322	0	38	-1.0	-52.09	340.49	6.53	-45.56
COC(=O)C1(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CCC1	REAL300017191323	0	41	-1.0	-49.40	339.56	4.94	-44.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300017191324	0	32	-1.0	-43.57	309.86	4.74	-38.83
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191325	0	45	-1.0	-48.76	386.13	4.88	-43.88
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191326	0	48	-1.0	-48.48	407.99	5.80	-42.68
COC(=O)C1(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CCCCC1	REAL300017191327	0	47	-1.0	-59.66	358.09	6.71	-52.95
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191328	0	40	-1.0	-51.19	349.07	5.61	-45.58
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300017191329	0	34	-1.0	-60.30	303.85	3.57	-56.73
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=CC=C23)C1	REAL300017191330	0	36	-1.0	-53.49	309.52	4.50	-48.99
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC(C)(C(=O)[O-])C1)=C2	REAL300017191331	0	45	-1.0	-51.20	378.40	8.43	-42.77
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2Br)C1	REAL300017191332	0	35	-1.0	-53.02	333.84	6.36	-46.66
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(F)=C2Br)C1	REAL300017191333	0	35	-1.0	-53.94	324.71	5.95	-47.99
COC1=CC=C(Br)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1F	REAL300017191334	0	36	-1.0	-56.62	325.71	4.81	-51.81
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191335	0	42	-1.0	-51.81	353.50	6.91	-44.90
CC(C)(CCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C1CC1	REAL300017191336	0	44	-1.0	-50.28	343.36	6.02	-44.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300017191337	0	36	-1.0	-50.35	324.73	6.23	-44.12
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCC2=CC=CC=C2)C1	REAL300017191338	0	41	-1.0	-52.41	345.83	6.87	-45.54
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300017191340	0	36	-1.0	-54.25	312.61	0.04	-54.21
CCCC1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191344	0	41	-1.0	-53.01	331.57	7.21	-45.80
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC3=C2CCCC3)C1	REAL300017191345	0	41	-1.0	-52.65	341.22	5.31	-47.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2C(F)F)C1	REAL300017191346	0	32	-1.0	-52.57	294.90	4.60	-47.97
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC(F)=C2)C1	REAL300017191347	0	38	-1.0	-51.13	330.72	6.16	-44.97
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191348	0	48	-1.0	-51.35	392.57	7.37	-43.98
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300017191349	0	37	-1.0	-53.62	306.68	4.69	-48.93
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300017191350	0	52	-1.0	-54.66	403.53	7.02	-47.64
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191351	0	39	-1.0	-48.99	339.70	4.81	-44.18
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)CC(C)(C)C3=C2)C1	REAL300017191352	0	46	-1.0	-49.05	373.64	4.69	-44.36
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C1	REAL300017191353	0	47	-1.0	-58.21	389.28	7.25	-50.96
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C21	REAL300017191354	0	46	-1.0	-57.83	378.91	6.55	-51.28
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300017191355	0	39	-1.0	-50.46	328.48	4.30	-46.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300017191356	0	39	-1.0	-46.30	325.76	4.48	-41.82
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300017191357	0	42	-1.0	-47.37	343.04	5.15	-42.22
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300017191365	0	38	-1.0	-50.77	343.79	5.50	-45.27
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C1	REAL300017191366	0	38	-1.0	-49.93	328.81	1.84	-48.09
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300017191367	0	29	-1.0	-47.27	280.37	3.13	-44.14
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300017191368	0	39	-1.0	-52.68	318.28	4.70	-47.98
COC1=C(F)C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300017191369	0	36	-1.0	-45.43	323.96	4.16	-41.27
COC1=CC(F)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300017191370	0	36	-1.0	-47.15	314.17	3.86	-43.29
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300017191371	0	57	-1.0	-46.32	452.54	9.22	-37.10
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300017191372	0	48	-1.0	-45.72	372.63	6.22	-39.50
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191373	0	42	-1.0	-48.97	345.35	5.98	-42.99
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300017191374	0	55	-1.0	-48.38	443.52	7.08	-41.30
CC1=CSC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191375	0	35	-1.0	-45.45	297.71	5.19	-40.26
CC1CC2=CC=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=C2O1	REAL300017191376	0	40	-1.0	-56.99	330.82	5.23	-51.76
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300017191377	0	40	-1.0	-47.37	347.25	4.28	-43.09
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C1	REAL300017191378	0	40	-1.0	-50.31	344.52	6.73	-43.58
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191379	0	36	-1.0	-48.96	315.10	5.14	-43.82
CC1=C(Br)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C)S1	REAL300017191380	0	35	-1.0	-47.88	318.60	5.92	-41.96
CC1=CC(Cl)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300017191381	0	35	-1.0	-47.59	326.44	6.72	-40.87
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C21	REAL300017191382	0	49	-1.0	-57.52	387.53	6.68	-50.84
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300017191383	0	38	-1.0	-49.99	331.76	5.26	-44.73
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C21	REAL300017191384	0	46	-1.0	-51.70	375.72	6.08	-45.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2Cl)C1	REAL300017191385	0	29	-1.0	-52.41	275.23	3.75	-48.66
CN1N=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191386	0	32	-1.0	-46.07	297.84	2.66	-43.41
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C1	REAL300017191387	0	34	-1.0	-48.58	310.92	3.76	-44.82
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191388	0	37	-1.0	-59.24	317.94	4.16	-55.08
CC1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300017191389	0	41	-1.0	-48.08	322.98	4.53	-43.55
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C32)C1	REAL300017191390	0	36	-1.0	-49.36	329.79	5.05	-44.31
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300017191391	0	33	-1.0	-44.31	292.97	3.41	-40.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300017191392	0	35	-1.0	-49.76	316.94	6.05	-43.71
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=C(Br)C=CC=C23)C1	REAL300017191393	0	36	-1.0	-51.51	330.79	5.09	-46.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C1	REAL300017191394	0	35	-1.0	-55.03	321.85	4.24	-50.79
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191395	0	39	-1.0	-46.34	328.75	4.23	-42.11
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1F	REAL300017191396	0	41	-1.0	-50.39	328.28	6.68	-43.71
COC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1OC	REAL300017191397	0	40	-1.0	-52.50	333.03	4.44	-48.06
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C1	REAL300017191398	0	41	-1.0	-53.35	347.36	1.79	-51.56
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C(C#N)=C2)C1	REAL300017191399	0	33	-1.0	-44.94	318.60	5.51	-39.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=COC3=CC=CC=C23)C1	REAL300017191400	0	35	-1.0	-49.99	302.87	4.70	-45.29
COC1=CC=C(F)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1OC	REAL300017191401	0	40	-1.0	-54.99	338.30	4.87	-50.12
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191402	0	35	-1.0	-44.92	337.22	3.99	-40.93
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300017191403	0	45	-1.0	-49.20	358.41	5.16	-44.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C1	REAL300017191404	0	36	-1.0	-48.17	329.44	6.54	-41.63
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300017191406	0	39	-1.0	-48.82	320.90	4.07	-44.75
CC1(C(=O)[O-])CCN(C(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300017191407	0	34	-1.0	-50.06	310.93	8.55	-41.51
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300017191408	0	36	-1.0	-50.84	315.51	4.10	-46.74
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=C(Br)C=C32)C1	REAL300017191409	0	36	-1.0	-56.17	329.73	5.00	-51.17
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300017191410	0	35	-1.0	-55.17	306.21	3.78	-51.39
CN1N=NC2=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=CC=C21	REAL300017191411	0	37	-1.0	-56.06	320.32	3.11	-52.95
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Br	REAL300017191413	0	38	-1.0	-47.36	323.58	6.22	-41.14
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCC(C)(C)C2)C1	REAL300017191414	0	43	-1.0	-46.20	326.72	4.86	-41.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300017191415	0	38	-1.0	-47.03	347.27	5.71	-41.32
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C1	REAL300017191416	0	35	-1.0	-48.02	306.03	4.76	-43.26
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300017191417	0	42	-1.0	-49.31	341.84	4.69	-44.62
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191418	0	50	-1.0	-46.55	384.75	8.15	-38.40
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300017191419	0	38	-1.0	-52.19	347.99	6.44	-45.75
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)SC=C2)C1	REAL300017191420	0	29	-1.0	-50.88	275.99	3.88	-47.00
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300017191421	0	42	-1.0	-51.65	353.01	5.23	-46.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300017191422	0	36	-1.0	-49.88	313.50	5.54	-44.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300017191423	0	43	-1.0	-46.08	368.13	7.35	-38.73
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017191424	0	45	-1.0	-56.14	366.07	2.92	-53.22
COC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017191425	0	41	-1.0	-58.79	341.71	5.73	-53.06
CCCC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191426	0	41	-1.0	-47.57	342.48	6.82	-40.75
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191427	0	38	-1.0	-48.77	332.45	2.89	-45.88
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2C#N)C1	REAL300017191428	0	33	-1.0	-47.31	294.21	4.68	-42.63
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191429	0	39	-1.0	-47.79	324.11	4.09	-43.70
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300017191430	0	36	-1.0	-46.07	335.02	5.94	-40.13
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2C=C1	REAL300017191431	0	44	-1.0	-48.88	378.76	7.54	-41.34
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191432	0	41	-1.0	-47.41	326.86	4.34	-43.07
CC(C)(C)N1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300017191433	0	41	-1.0	-51.09	343.55	4.31	-46.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300017191434	0	39	-1.0	-49.00	319.52	3.42	-45.58
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300017191435	0	37	-1.0	-45.42	329.51	4.42	-41.00
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300017191436	0	35	-1.0	-44.43	321.41	5.59	-38.84
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CF)C=C2)C1	REAL300017191437	0	35	-1.0	-48.05	304.25	5.34	-42.71
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C1	REAL300017191438	0	32	-1.0	-53.41	301.26	4.95	-48.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300017191439	0	32	-1.0	-43.93	309.83	4.73	-39.20
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(F)(F)CC2)C1	REAL300017191440	0	37	-1.0	-45.38	308.44	3.89	-41.49
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C1	REAL300017191441	0	35	-1.0	-45.86	329.99	6.03	-39.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C(F)F)C1	REAL300017191442	0	35	-1.0	-59.83	299.94	5.92	-53.91
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191443	0	43	-1.0	-56.99	362.67	6.65	-50.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300017191444	0	43	-1.0	-49.11	344.10	7.51	-41.60
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300017191445	0	42	-1.0	-57.00	358.32	6.30	-50.70
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300017191446	0	38	-1.0	-47.71	341.02	5.63	-42.08
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300017191447	0	38	-1.0	-46.75	320.03	5.04	-41.71
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C1	REAL300017191448	0	37	-1.0	-50.46	331.21	5.12	-45.34
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017191449	0	42	-1.0	-47.07	372.46	5.29	-41.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C1	REAL300017191450	0	41	-1.0	-59.98	350.41	4.49	-55.49
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300017191451	0	32	-1.0	-54.74	299.71	4.82	-49.92
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300017191452	0	39	-1.0	-51.74	326.00	6.67	-45.07
COC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=CS1	REAL300017191453	0	33	-1.0	-52.88	296.08	3.09	-49.79
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C1	REAL300017191454	0	35	-1.0	-47.12	312.78	6.14	-40.98
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191455	0	38	-1.0	-49.75	342.94	4.93	-44.82
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C1	REAL300017191456	0	39	-1.0	-51.79	327.06	6.58	-45.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300017191457	0	42	-1.0	-48.32	341.71	5.19	-43.13
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191458	0	41	-1.0	-46.85	337.93	4.37	-42.48
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017191459	0	41	-1.0	-52.28	347.48	2.04	-50.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C1	REAL300017191460	0	35	-1.0	-52.57	332.25	1.12	-51.45
CN(C1CCCCCC1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191461	0	46	-1.0	-48.55	346.72	5.51	-43.04
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191462	0	36	-1.0	-47.40	313.39	4.56	-42.84
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300017191463	0	46	-1.0	-49.33	365.00	3.30	-46.03
CC(F)(F)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1	REAL300017191464	0	38	-1.0	-52.86	329.98	6.09	-46.77
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300017191465	0	36	-1.0	-48.99	317.86	4.18	-44.81
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300017191466	0	47	-1.0	-48.96	374.21	7.20	-41.76
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300017191467	0	33	-1.0	-47.12	302.37	3.05	-44.07
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300017191468	0	43	-1.0	-54.32	344.86	6.73	-47.59
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300017191469	0	40	-1.0	-49.41	334.75	4.66	-44.75
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300017191470	0	35	-1.0	-50.80	308.94	3.24	-47.56
CCOCC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191471	0	42	-1.0	-48.95	355.01	5.30	-43.65
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191474	0	42	-1.0	-49.20	355.52	5.74	-43.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300017191475	0	45	-1.0	-49.70	364.98	5.57	-44.13
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300017191476	0	43	-1.0	-48.31	367.76	7.41	-40.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300017191477	0	35	-1.0	-53.46	292.78	5.17	-48.29
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC(C)=C1Br	REAL300017191478	0	38	-1.0	-46.38	336.28	6.34	-40.04
CCN1N=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Cl	REAL300017191479	0	35	-1.0	-47.38	313.55	3.30	-44.08
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC=C2Br)C1	REAL300017191480	0	36	-1.0	-50.28	328.75	6.31	-43.97
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCC(C)(C(=O)[O-])C1)=C2	REAL300017191481	0	38	-1.0	-47.93	363.68	5.83	-42.10
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300017191482	0	32	-1.0	-46.14	306.09	5.44	-40.70
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300017191483	0	34	-1.0	-46.19	313.34	3.61	-42.58
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C1	REAL300017191484	0	37	-1.0	-55.79	333.42	5.77	-50.02
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C1	REAL300017191485	0	37	-1.0	-51.88	325.93	5.31	-46.57
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300017191486	0	41	-1.0	-50.62	331.12	7.18	-43.44
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191487	0	36	-1.0	-54.11	329.10	5.56	-48.55
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCCF)C=C2)C1	REAL300017191488	0	39	-1.0	-48.86	334.20	4.89	-43.97
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300017191489	0	46	-1.0	-49.37	382.70	6.09	-43.28
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300017191490	0	32	-1.0	-44.75	300.52	5.03	-39.72
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)O1	REAL300017191491	0	38	-1.0	-58.57	341.45	0.79	-57.78
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300017191492	0	42	-1.0	-50.82	347.87	5.64	-45.18
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C1	REAL300017191493	0	38	-1.0	-51.77	349.76	2.02	-49.75
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300017191494	0	36	-1.0	-51.71	315.23	5.82	-45.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300017191495	0	36	-1.0	-48.34	332.25	6.38	-41.96
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300017191496	0	36	-1.0	-51.14	330.11	6.38	-44.76
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300017191497	0	36	-1.0	-49.87	320.75	5.92	-43.95
COC(=O)C1CCCCN1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191498	0	43	-1.0	-51.53	338.37	5.24	-46.29
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C1	REAL300017191499	0	54	-1.0	-47.82	407.83	8.80	-39.02
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C1	REAL300017191500	0	35	-1.0	-52.95	323.54	5.42	-47.53
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017191501	0	43	-1.0	-52.37	353.39	5.63	-46.74
COC(=O)C=CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017191502	0	42	-1.0	-49.64	362.94	6.42	-43.22
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=NN1	REAL300017191503	0	38	-1.0	-51.28	336.95	2.39	-48.89
COC1=CSC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1OC	REAL300017191504	0	37	-1.0	-48.99	326.46	3.06	-45.93
CC1(C(=O)[O-])CCN(C(=O)N2C[C@H]3CC[C@@](C)(C2)C3(C)C)C1	REAL300017191505	0	49	-1.0	-50.13	338.87	8.87	-41.26
CC1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300017191506	0	44	-1.0	-46.57	338.12	5.08	-41.49
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191507	0	43	-1.0	-53.56	352.13	6.29	-47.27
CC1(C(=O)[O-])CCN(C(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300017191508	0	43	-1.0	-49.76	336.23	10.44	-39.32
CC1(C(=O)[O-])CCN(C(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300017191509	0	49	-1.0	-49.19	367.35	10.35	-38.84
CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300017191510	0	50	-1.0	-49.35	371.49	6.86	-42.49
CN(C(=O)N1CCC(C)(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300017191511	0	39	-1.0	-57.49	307.83	2.93	-54.56
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191512	0	51	-1.0	-52.43	385.52	7.75	-44.68
COC(=O)C1CN(C(=O)N2CCC(C)(C(=O)[O-])C2)CCO1	REAL300017191513	0	40	-1.0	-45.85	314.32	4.96	-40.89
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191514	0	36	-1.0	-48.63	327.26	5.67	-42.96
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300017191515	0	36	-1.0	-50.41	326.33	5.45	-44.96
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300017191516	0	36	-1.0	-47.65	323.56	4.26	-43.39
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191517	0	38	-1.0	-49.52	320.72	4.52	-45.00
CN1C=CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300017191518	0	39	-1.0	-52.78	332.76	6.36	-46.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C1	REAL300017191519	0	35	-1.0	-47.97	310.92	6.05	-41.92
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300017191520	0	41	-1.0	-49.75	355.15	5.01	-44.74
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300017191521	0	29	-1.0	-43.07	303.15	4.72	-38.35
CN1N=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Cl	REAL300017191522	0	32	-1.0	-49.92	291.71	2.46	-47.46
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191523	0	45	-1.0	-51.25	371.22	7.01	-44.24
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300017191524	0	49	-1.0	-48.23	396.51	6.51	-41.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300017191525	0	35	-1.0	-44.75	334.86	6.03	-38.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C1	REAL300017191526	0	37	-1.0	-48.98	327.74	5.16	-43.82
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191527	0	40	-1.0	-54.43	335.59	4.08	-50.35
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300017191528	0	43	-1.0	-47.17	366.77	7.46	-39.71
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191529	0	38	-1.0	-60.96	316.83	6.45	-54.51
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C1	REAL300017191530	0	37	-1.0	-49.44	333.44	3.18	-46.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300017191531	0	33	-1.0	-48.41	315.57	3.46	-44.95
COCN1N=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191532	0	36	-1.0	-48.56	311.16	0.87	-47.69
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191533	0	34	-1.0	-47.65	297.81	3.71	-43.94
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191534	0	43	-1.0	-50.84	361.76	6.24	-44.60
CCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300017191535	0	42	-1.0	-48.71	342.43	4.93	-43.78
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300017191536	0	36	-1.0	-55.98	307.02	3.62	-52.36
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300017191537	0	38	-1.0	-46.62	340.72	7.40	-39.22
CC(=O)OC1CCN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300017191538	0	40	-1.0	-53.19	336.54	3.76	-49.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300017191539	0	42	-1.0	-47.72	367.20	8.45	-39.27
CCC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300017191540	0	38	-1.0	-45.13	337.13	6.49	-38.64
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191541	0	45	-1.0	-47.89	362.71	5.72	-42.17
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300017191542	0	29	-1.0	-45.15	287.11	4.13	-41.02
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191543	0	46	-1.0	-50.89	378.81	4.98	-45.91
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300017191544	0	38	-1.0	-50.72	331.24	7.20	-43.52
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191545	0	40	-1.0	-48.21	329.97	2.34	-45.87
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300017191546	0	39	-1.0	-52.45	314.66	6.35	-46.10
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C)(C)CC2)C1	REAL300017191547	0	43	-1.0	-50.01	329.86	4.63	-45.38
CC(=O)OCC1CCN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300017191548	0	46	-1.0	-52.36	374.25	5.35	-47.01
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191549	0	46	-1.0	-58.82	390.01	5.06	-53.76
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300017191550	0	42	-1.0	-53.06	333.64	1.84	-51.22
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=N1	REAL300017191551	0	38	-1.0	-47.02	312.55	1.75	-45.27
COC1=NC=C(C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191552	0	38	-1.0	-49.25	321.67	2.51	-46.74
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300017191553	0	47	-1.0	-48.57	380.93	4.95	-43.62
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191554	0	35	-1.0	-46.88	316.99	2.36	-44.52
COC1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300017191555	0	38	-1.0	-46.88	325.92	2.02	-44.86
CC(C)CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300017191556	0	41	-1.0	-47.74	339.20	4.70	-43.04
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191557	0	41	-1.0	-49.17	336.82	4.17	-45.00
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300017191558	0	31	-1.0	-51.42	305.42	2.62	-48.80
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C#N)C=CS2)C1	REAL300017191559	0	30	-1.0	-47.80	287.56	3.99	-43.81
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C1	REAL300017191560	0	36	-1.0	-48.63	341.45	6.74	-41.89
CC(C)N1N=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191561	0	38	-1.0	-46.88	319.70	3.73	-43.15
COC(=O)C1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300017191562	0	40	-1.0	-47.95	344.86	3.98	-43.97
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C1	REAL300017191563	0	35	-1.0	-54.35	318.62	6.82	-47.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300017191564	0	39	-1.0	-48.84	323.75	4.81	-44.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300017191565	0	39	-1.0	-52.44	331.35	5.51	-46.93
COC1=NOC(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191566	0	35	-1.0	-54.32	310.31	0.91	-53.41
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300017191567	0	37	-1.0	-50.74	312.38	4.93	-45.81
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=NN1C(C)C	REAL300017191568	0	41	-1.0	-51.96	336.13	4.24	-47.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300017191569	0	39	-1.0	-48.67	337.94	6.81	-41.86
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300017191570	0	34	-1.0	-50.49	304.11	3.59	-46.90
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300017191571	0	46	-1.0	-48.55	386.83	8.11	-40.44
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300017191572	0	39	-1.0	-50.46	340.09	6.84	-43.62
CC1(C(=O)[O-])CCN(C(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300017191573	0	39	-1.0	-50.59	307.65	7.17	-43.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C1	REAL300017191574	0	36	-1.0	-49.37	325.24	4.95	-44.42
CC1(C(=O)[O-])CCN(C(=O)N2CC=C(Br)CC2)C1	REAL300017191575	0	34	-1.0	-49.11	282.78	6.49	-42.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C1	REAL300017191576	0	35	-1.0	-52.24	314.25	5.47	-46.77
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191577	0	40	-1.0	-58.42	335.08	0.40	-58.02
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300017191578	0	39	-1.0	-45.23	300.98	2.37	-42.86
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C#N)CC2)C1	REAL300017191579	0	38	-1.0	-52.91	317.32	4.05	-48.86
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C1	REAL300017191581	0	39	-1.0	-55.13	326.51	6.49	-48.64
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(Cl)=C1Cl	REAL300017191582	0	35	-1.0	-46.00	318.71	5.97	-40.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300017191583	0	36	-1.0	-51.80	324.50	4.32	-47.48
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C1	REAL300017191584	0	39	-1.0	-49.59	343.49	5.56	-44.03
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C(F)F)=C1	REAL300017191585	0	39	-1.0	-53.21	329.74	5.12	-48.09
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191586	0	38	-1.0	-47.03	339.10	2.83	-44.20
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300017191587	0	40	-1.0	-55.63	329.54	6.05	-49.58
CC1(C(=O)[O-])CCN(C(=O)N2CC(OCC3=CC=CC=C3)C2)C1	REAL300017191588	0	44	-1.0	-49.55	354.55	7.76	-41.79
CC(C)(C)OC(=O)NC1CN(C(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300017191589	0	47	-1.0	-53.44	366.39	4.62	-48.82
CC(=O)OCC1CCN(C(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300017191590	0	45	-1.0	-53.76	347.34	7.83	-45.93
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300017191591	0	35	-1.0	-47.32	309.96	4.32	-43.00
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191593	0	45	-1.0	-50.40	359.63	6.56	-43.84
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C(Cl)S1	REAL300017191594	0	32	-1.0	-46.21	296.07	4.77	-41.44
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300017191595	0	39	-1.0	-49.67	347.16	5.44	-44.23
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3CCCCN3N=C2)C1	REAL300017191596	0	39	-1.0	-51.47	316.68	3.78	-47.69
CN1C=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=N1	REAL300017191597	0	33	-1.0	-54.86	297.69	1.81	-53.05
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191601	0	36	-1.0	-53.99	315.07	4.77	-49.22
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC(F)=CC(Cl)=C3)CCN2N=C1	REAL300017191602	0	33	-1.0	-52.11	316.29	4.67	-47.44
O=C([O-])C1=C2CN(C(=O)OCC3C4=CC=CC=C4C4=CC=CC=C43)CCN2N=C1	REAL300017191619	0	47	-1.0	-56.09	392.95	11.13	-44.96
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191620	0	38	-1.0	-59.92	347.89	-0.95	-60.87
N#CC1=CC=CC=C1CS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191621	0	37	-1.0	-66.57	335.80	5.04	-61.53
CC1=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=CC([N+](=O)[O-])=C1C	REAL300017191622	0	41	-1.0	-50.13	354.69	5.79	-44.34
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1C	REAL300017191623	0	41	-1.0	-61.62	346.06	5.71	-55.91
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4OCCOC4=C3)CCN2N=C1	REAL300017191624	0	39	-1.0	-58.71	337.65	3.24	-55.47
O=C([O-])C1=C2CN(S(=O)(=O)C=CC3=CC=CC=C3)CCN2N=C1	REAL300017191625	0	37	-1.0	-54.99	325.56	5.27	-49.72
CN1C=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(=O)N(C)C1=O	REAL300017191626	0	39	-1.0	-54.18	338.51	2.90	-51.28
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191627	0	39	-1.0	-58.26	328.06	3.06	-55.20
CC1=NNC(C)=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191628	0	36	-1.0	-52.45	306.74	1.85	-50.60
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4NC(=O)OC4=C3)CCN2N=C1	REAL300017191629	0	36	-1.0	-62.12	324.89	1.59	-60.53
O=C([O-])C1=C2CN(S(=O)(=O)CC3=CC=CC=C3)CCN2N=C1	REAL300017191630	0	36	-1.0	-55.07	317.44	4.81	-50.26
COC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191631	0	37	-1.0	-53.48	323.15	3.38	-50.10
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CCN2N=C1	REAL300017191632	0	35	-1.0	-68.80	312.55	5.76	-63.04
CCOC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191633	0	40	-1.0	-53.31	345.00	4.31	-49.00
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(F)C=C3F)CCN2N=C1	REAL300017191634	0	33	-1.0	-51.00	301.46	4.11	-46.89
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(F)C=C3)CCN2N=C1	REAL300017191635	0	33	-1.0	-52.37	300.05	4.16	-48.21
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC(F)=C3)CCN2N=C1	REAL300017191636	0	33	-1.0	-52.75	299.56	4.15	-48.60
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1C	REAL300017191637	0	45	-1.0	-54.29	350.97	6.53	-47.76
CC1=CC(C)=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(C)=C1	REAL300017191638	0	42	-1.0	-52.35	336.56	6.06	-46.29
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191639	0	48	-1.0	-53.31	376.84	6.82	-46.49
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(Cl)C(Cl)=C3)CCN2N=C1	REAL300017191640	0	33	-1.0	-54.75	325.07	5.06	-49.69
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(F)C(F)=C3)CCN2N=C1	REAL300017191641	0	33	-1.0	-56.15	305.86	4.21	-51.94
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC(Cl)=CC=C3Cl)CCN2N=C1	REAL300017191642	0	33	-1.0	-52.67	315.31	4.82	-47.85
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC(C(F)(F)F)=C3)CCN2N=C1	REAL300017191643	0	36	-1.0	-52.51	332.22	5.10	-47.41
CC1=CC=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191644	0	36	-1.0	-55.05	314.57	4.75	-50.30
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC=C3C(F)(F)F)CCN2N=C1	REAL300017191645	0	36	-1.0	-59.35	321.56	5.58	-53.77
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC=C3F)CCN2N=C1	REAL300017191646	0	33	-1.0	-54.26	295.03	4.03	-50.23
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC(Cl)=C3)CCN2N=C1	REAL300017191647	0	33	-1.0	-52.60	309.88	4.61	-47.99
CC(=O)C1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191648	0	38	-1.0	-53.12	334.12	4.48	-48.64
CC1=CC=C(C)C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191649	0	39	-1.0	-56.25	321.84	5.15	-51.10
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1C	REAL300017191650	0	39	-1.0	-55.37	331.57	5.29	-50.08
N#CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1F	REAL300017191651	0	34	-1.0	-53.18	319.86	4.52	-48.66
O=C([O-])C1=C2CN(S(=O)(=O)CCC3CCOCC3)CCN2N=C1	REAL300017191652	0	43	-1.0	-54.85	350.86	3.38	-51.47
CC1=CC(C)=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)S1	REAL300017191653	0	36	-1.0	-55.29	325.79	4.59	-50.70
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4C(=O)CCCC4=C3)CCN2N=C1	REAL300017191654	0	42	-1.0	-60.01	358.02	5.70	-54.31
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(Cl)C4=NON=C43)CCN2N=C1	REAL300017191655	0	34	-1.0	-50.86	325.94	3.39	-47.47
O=C([O-])C1=C2CN(S(=O)(=O)CC3=CC=C(C(F)F)C=C3)CCN2N=C1	REAL300017191656	0	39	-1.0	-55.30	349.63	5.68	-49.62
CN1C=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(C(F)(F)F)=N1	REAL300017191657	0	36	-1.0	-53.25	321.88	2.52	-50.73
CC1=CC=CC(C)=C1CS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191658	0	42	-1.0	-54.43	347.49	6.04	-48.39
COC(=O)C1=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C(F)C=C1C	REAL300017191659	0	42	-1.0	-54.07	365.76	5.22	-48.85
O=C([O-])C1=C2CN(S(=O)(=O)C3=C(F)C=CS3)CCN2N=C1	REAL300017191660	0	30	-1.0	-58.33	289.80	3.22	-55.11
O=C([O-])C1=C2CN(S(=O)(=O)CCC3CCOC3)CCN2N=C1	REAL300017191661	0	40	-1.0	-53.87	332.95	2.58	-51.29
COC(CS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300017191662	0	43	-1.0	-53.23	369.09	5.13	-48.10
O=C([O-])C1=C2CN(S(=O)(=O)CC3CCCCC3(F)F)CCN2N=C1	REAL300017191663	0	42	-1.0	-55.68	346.20	5.28	-50.40
O=C([O-])C1=C2CN(S(=O)(=O)CCOCC3=CC=CC=C3)CCN2N=C1	REAL300017191664	0	43	-1.0	-55.03	372.96	4.86	-50.17
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC4=C(Cl)C=CN=C34)CCN2N=C1	REAL300017191665	0	38	-1.0	-56.72	343.44	5.48	-51.24
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191666	0	45	-1.0	-57.79	394.11	6.39	-51.40
O=C([O-])C1=C2CN(S(=O)(=O)CC3CC(F)(F)C3)CCN2N=C1	REAL300017191667	0	36	-1.0	-54.56	318.99	4.04	-50.52
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(C4CC4)C=C3)CCN2N=C1	REAL300017191668	0	40	-1.0	-53.89	342.88	6.21	-47.68
COC1=CC=C2C=C(S(=O)(=O)N3CCN4N=CC(C(=O)[O-])=C4C3)CCC2=C1	REAL300017191669	0	45	-1.0	-54.35	376.65	5.75	-48.60
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(OC4CC4)C=C3)CCN2N=C1	REAL300017191670	0	41	-1.0	-55.43	354.15	5.05	-50.38
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(F)C(Cl)=C3)CCN2N=C1	REAL300017191671	0	33	-1.0	-55.21	315.74	4.66	-50.55
CC(=O)C1=CC=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191672	0	38	-1.0	-58.14	335.92	4.57	-53.57
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(C)=C1	REAL300017191673	0	39	-1.0	-55.98	321.89	5.14	-50.84
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC(Cl)=C3Cl)CCN2N=C1	REAL300017191674	0	33	-1.0	-51.62	313.77	4.75	-46.87
COC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1[N+](=O)[O-]	REAL300017191675	0	39	-1.0	-65.53	348.66	4.83	-60.70
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191676	0	45	-1.0	-53.75	369.85	6.40	-47.35
CC(C)C1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191677	0	42	-1.0	-53.71	353.89	6.01	-47.70
CCC(C)C1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191678	0	45	-1.0	-53.71	372.33	6.68	-47.03
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CCCC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191681	0	42	-1.0	-53.60	358.04	6.31	-47.29
COC1=CC=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191682	0	37	-1.0	-57.08	317.15	3.93	-53.15
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191683	0	44	-1.0	-69.12	373.43	2.80	-66.32
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(F)C(F)=C3F)CCN2N=C1	REAL300017191684	0	33	-1.0	-50.24	307.60	4.16	-46.08
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O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC=C3Cl)CCN2N=C1	REAL300017191686	0	33	-1.0	-53.50	298.56	4.29	-49.21
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC(Br)=C3)CCN2N=C1	REAL300017191687	0	33	-1.0	-52.47	314.45	4.71	-47.76
O=C([O-])C1=C2CN(S(=O)(=O)C3=C(F)C=CC=C3F)CCN2N=C1	REAL300017191688	0	33	-1.0	-56.61	302.16	4.37	-52.24
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(Cl)N=C3)CCN2N=C1	REAL300017191689	0	32	-1.0	-55.76	305.01	2.73	-53.03
N#CC1=CC=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191690	0	34	-1.0	-54.49	313.99	4.48	-50.01
N#CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191691	0	34	-1.0	-53.95	314.47	4.47	-49.48
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(Cl)C=C3F)CCN2N=C1	REAL300017191692	0	33	-1.0	-50.89	311.79	4.56	-46.33
N#CC1=CC=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191693	0	34	-1.0	-54.31	302.27	4.09	-50.22
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC=C3Br)CCN2N=C1	REAL300017191694	0	33	-1.0	-57.57	302.57	4.42	-53.15
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(OC(F)(F)F)C=C3)CCN2N=C1	REAL300017191695	0	37	-1.0	-53.33	339.64	3.87	-49.46
CC1=C(C)C(C)=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(C)=C1C	REAL300017191696	0	48	-1.0	-54.54	362.87	6.98	-47.56
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4OCCCOC4=C3)CCN2N=C1	REAL300017191697	0	42	-1.0	-54.90	355.97	4.05	-50.85
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1[N+](=O)[O-]	REAL300017191698	0	38	-1.0	-52.96	337.36	5.28	-47.68
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(Br)S3)CCN2N=C1	REAL300017191699	0	30	-1.0	-51.00	306.78	3.82	-47.18
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191700	0	51	-1.0	-52.55	388.32	7.66	-44.89
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(C4CCCCC4)C=C3)CCN2N=C1	REAL300017191701	0	49	-1.0	-53.69	395.52	7.90	-45.79
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(C(F)(F)F)C=C3)CCN2N=C1	REAL300017191702	0	36	-1.0	-52.29	332.39	5.09	-47.20
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4CCCCC4=C3)CCN2N=C1	REAL300017191703	0	43	-1.0	-54.99	355.88	6.58	-48.41
COC1=CC=C(OC)C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191704	0	41	-1.0	-59.80	346.62	3.25	-56.55
COC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1OC	REAL300017191705	0	41	-1.0	-57.48	351.89	3.29	-54.19
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4CCCC4=C3)CCN2N=C1	REAL300017191706	0	40	-1.0	-55.08	338.70	6.00	-49.08
CC1=NOC(C)=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191707	0	35	-1.0	-51.00	306.22	3.05	-47.95
COC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(OC)=C1	REAL300017191708	0	41	-1.0	-56.10	346.57	3.24	-52.86
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC4=CC=CC=C4CC3)CCN2N=C1	REAL300017191709	0	41	-1.0	-54.43	347.12	6.46	-47.97
CCC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191710	0	39	-1.0	-53.71	336.55	5.52	-48.19
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC(F)=CC=C3F)CCN2N=C1	REAL300017191711	0	33	-1.0	-54.10	301.45	4.11	-49.99
COC1=CC=C(C)C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191712	0	40	-1.0	-57.32	338.58	4.62	-52.70
COC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1NC(C)=O	REAL300017191713	0	44	-1.0	-67.50	377.25	2.41	-65.09
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4NC(=O)CCC4=C3)CCN2N=C1	REAL300017191714	0	41	-1.0	-57.16	352.99	3.28	-53.88
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4NC(=O)NC4=C3)CCN2N=C1	REAL300017191715	0	37	-1.0	-56.79	328.89	0.90	-55.89
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4NC(=O)CC4=C3)CCN2N=C1	REAL300017191716	0	38	-1.0	-57.04	335.17	2.54	-54.50
CCOC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1OCC	REAL300017191717	0	47	-1.0	-57.25	395.60	5.13	-52.12
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(Cl)C=C3)CCN2N=C1	REAL300017191718	0	33	-1.0	-52.15	310.38	4.61	-47.54
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CC(=O)NC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191723	0	40	-1.0	-56.72	349.99	2.98	-53.74
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CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191725	0	38	-1.0	-62.55	328.69	5.14	-57.41
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CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191729	0	42	-1.0	-60.49	378.15	2.32	-58.17
O=C([O-])C1=C2CN(S(=O)(=O)C3=C4OC=CC4=CC=C3)CCN2N=C1	REAL300017191730	0	36	-1.0	-56.91	320.02	4.41	-52.50
O=C([O-])C1=C2CN(S(=O)(=O)CCC3CCCC3)CCN2N=C1	REAL300017191731	0	42	-1.0	-53.30	343.23	5.18	-48.12
O=C([O-])C1=C2CN(S(=O)(=O)CCC3CCCCC3)CCN2N=C1	REAL300017191732	0	45	-1.0	-53.26	359.72	5.76	-47.50
O=C([O-])C1=C2CN(S(=O)(=O)C3=CNN=C3Cl)CCN2N=C1	REAL300017191733	0	30	-1.0	-52.79	287.40	0.75	-52.04
CC1=CC2=CC=C(S(=O)(=O)N3CCN4N=CC(C(=O)[O-])=C4C3)C=C2C=C1	REAL300017191734	0	42	-1.0	-56.53	360.45	7.03	-49.50
O=C([O-])C1=C2CN(S(=O)(=O)C3=C(Cl)C=CS3)CCN2N=C1	REAL300017191735	0	30	-1.0	-55.70	297.91	3.71	-51.99
CC1=CSC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191736	0	33	-1.0	-53.52	306.76	3.75	-49.77
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191737	0	46	-1.0	-55.65	390.11	4.44	-51.21
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CCC1=CC(CC)=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(CC)=C1	REAL300017191740	0	51	-1.0	-51.07	384.91	7.86	-43.21
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4CCOC4=C3)CCN2N=C1	REAL300017191741	0	38	-1.0	-54.95	328.96	3.94	-51.01
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191742	0	41	-1.0	-52.54	345.76	5.69	-46.85
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4OCCC(=O)C4=C3)CCN2N=C1	REAL300017191743	0	40	-1.0	-56.27	349.14	3.84	-52.43
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4SC(Cl)=NC4=C3)CCN2N=C1	REAL300017191744	0	35	-1.0	-52.58	341.31	4.01	-48.57
COC1=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=CC=C1Cl	REAL300017191745	0	37	-1.0	-54.01	338.68	3.94	-50.07
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC4=C(C=C3F)NC(=O)O4)CCN2N=C1	REAL300017191746	0	36	-1.0	-56.46	326.65	1.54	-54.92
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC4=C3OC(F)(F)O4)CCN2N=C1	REAL300017191747	0	36	-1.0	-52.94	331.62	3.17	-49.77
CC1=CC=CC(Cl)=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191748	0	36	-1.0	-52.74	314.56	5.33	-47.41
O=C([O-])C1=C2CN(S(=O)(=O)[C@@H]3C[C@H]3C3=CC=CC=C3)CCN2N=C1	REAL300017191749	0	40	-1.0	-52.20	344.37	6.22	-45.98
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O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC4=C3OCC4)CCN2N=C1	REAL300017191752	0	38	-1.0	-56.98	327.43	3.96	-53.02
COC(=O)CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1F	REAL300017191753	0	42	-1.0	-57.44	375.53	5.57	-51.87
CC1=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C2=CC=CC(C)=C2S1	REAL300017191754	0	42	-1.0	-57.53	360.97	7.02	-50.51
CC1=CC(F)=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(F)=C1	REAL300017191755	0	36	-1.0	-55.79	323.56	5.05	-50.74
O=C([O-])C1=C2CN(S(=O)(=O)CCOCC3CC3)CCN2N=C1	REAL300017191756	0	40	-1.0	-53.56	344.73	3.40	-50.16
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CN(C)C(=O)C1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191758	0	43	-1.0	-53.63	365.77	3.95	-49.68
COC1=CC=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191759	0	37	-1.0	-54.76	322.65	3.38	-51.38
O=C([O-])C1=C2CN(S(=O)(=O)CC3=CC=CC(Cl)=C3)CCN2N=C1	REAL300017191760	0	36	-1.0	-53.32	334.17	5.33	-47.99
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC(Cl)=CC=C3F)CCN2N=C1	REAL300017191761	0	33	-1.0	-53.46	311.78	4.56	-48.90
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC(C(=O)NC4CC4)=CC=C3)CCN2N=C1	REAL300017191762	0	44	-1.0	-58.44	381.21	4.06	-54.38
COC1=CC=C(F)C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191763	0	37	-1.0	-57.80	323.49	3.99	-53.81
CCC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1[N+](=O)[O-]	REAL300017191764	0	41	-1.0	-63.64	355.70	5.92	-57.72
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC4=CN=CC=C43)CCN2N=C1	REAL300017191765	0	38	-1.0	-61.39	324.13	4.31	-57.08
CC(=O)NC1=NC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)S1	REAL300017191766	0	36	-1.0	-64.44	338.09	1.59	-62.85
COC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=N1	REAL300017191767	0	36	-1.0	-52.37	320.79	0.77	-51.60
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)O1	REAL300017191768	0	33	-1.0	-53.93	297.74	2.91	-51.02
CC1C(=O)NC2=CC=C(S(=O)(=O)N3CCN4N=CC(C(=O)[O-])=C4C3)C=C21	REAL300017191770	0	41	-1.0	-56.27	356.11	3.13	-53.14
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4OCC(=O)NC4=C3)CCN2N=C1	REAL300017191771	0	39	-1.0	-59.06	343.88	1.31	-57.75
CC(C)CCC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191772	0	48	-1.0	-53.53	397.11	7.60	-45.93
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCN4N=CC(C(=O)[O-])=C4C3)=CC=C21	REAL300017191773	0	44	-1.0	-66.32	372.40	5.14	-61.18
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4OCCC4=C3)CCN2N=C1	REAL300017191774	0	38	-1.0	-55.44	329.07	3.94	-51.50
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(N4CCCC4=O)C=C3)CCN2N=C1	REAL300017191775	0	44	-1.0	-65.99	370.98	5.20	-60.79
CN1C(=O)CC2=CC(S(=O)(=O)N3CCN4N=CC(C(=O)[O-])=C4C3)=CC=C21	REAL300017191776	0	41	-1.0	-56.93	356.45	4.55	-52.38
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4OC(=O)C=CC4=C3)CCN2N=C1	REAL300017191777	0	38	-1.0	-55.10	341.44	5.57	-49.53
CN1C(=O)OC2=CC(S(=O)(=O)N3CCN4N=CC(C(=O)[O-])=C4C3)=CC=C21	REAL300017191778	0	39	-1.0	-55.84	347.26	4.04	-51.80
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC4=CC=C(Cl)N=C4C=C3)CCN2N=C1	REAL300017191779	0	38	-1.0	-53.94	350.97	4.92	-49.02
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC(OC(F)(F)F)=C3)CCN2N=C1	REAL300017191780	0	37	-1.0	-51.88	339.14	3.88	-48.00
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC(F)=CC(F)=C3)CCN2N=C1	REAL300017191781	0	33	-1.0	-51.59	306.43	4.21	-47.38
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)S1	REAL300017191782	0	33	-1.0	-53.63	306.96	3.89	-49.74
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C([N+](=O)[O-])C=C3Cl)CCN2N=C1	REAL300017191783	0	35	-1.0	-50.07	326.74	4.95	-45.12
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)S1	REAL300017191784	0	40	-1.0	-56.97	367.45	2.26	-54.71
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191785	0	43	-1.0	-59.84	356.79	3.36	-56.48
O=C([O-])C1=C2CN(S(=O)(=O)C3=C(Cl)SC(Cl)=C3)CCN2N=C1	REAL300017191786	0	30	-1.0	-50.49	309.48	3.98	-46.51
COC(=O)C1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191787	0	39	-1.0	-53.61	348.42	4.75	-48.86
CNC(=O)C1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191788	0	40	-1.0	-54.75	350.09	2.37	-52.38
NC(=O)C1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191789	0	37	-1.0	-54.68	328.15	0.87	-53.81
CCN(CC)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191790	0	37	-1.0	-54.88	311.06	3.00	-51.88
COC(=O)C1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)S1	REAL300017191791	0	36	-1.0	-54.19	341.05	3.85	-50.34
O=C([O-])C1=C2CN(S(=O)(=O)N3CCCCCC3)CCN2N=C1	REAL300017191792	0	41	-1.0	-54.51	326.09	4.19	-50.32
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191793	0	39	-1.0	-64.59	347.26	2.57	-62.02
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4NC(=O)C(=O)NC4=C3)CCN2N=C1	REAL300017191794	0	39	-1.0	-62.38	349.69	1.08	-61.30
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CN=C3Cl)CCN2N=C1	REAL300017191795	0	32	-1.0	-52.90	293.70	2.43	-50.47
CC1=CC2=CC=CC(S(=O)(=O)N3CCN4N=CC(C(=O)[O-])=C4C3)=C2N=C1	REAL300017191796	0	41	-1.0	-59.09	350.25	5.70	-53.39
COC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C([N+](=O)[O-])=C1	REAL300017191797	0	39	-1.0	-64.44	343.15	5.20	-59.24
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191798	0	37	-1.0	-54.15	333.86	4.47	-49.68
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC=C3OC(F)(F)F)CCN2N=C1	REAL300017191799	0	37	-1.0	-53.03	333.64	4.41	-48.62
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191800	0	38	-1.0	-59.75	347.40	-0.96	-60.71
O=C([O-])C1=C2CN(S(=O)(=O)CC3=CC=C([N+](=O)[O-])C=C3)CCN2N=C1	REAL300017191801	0	38	-1.0	-56.28	345.66	5.48	-50.80
O=C([O-])C1=C2CN(S(=O)(=O)N3CCOCC3)CCN2N=C1	REAL300017191802	0	36	-1.0	-51.99	300.38	0.74	-51.25
O=C([O-])C1=C2CN(S(=O)(=O)CC3=CC=C(F)C=C3)CCN2N=C1	REAL300017191803	0	36	-1.0	-54.32	323.85	4.88	-49.44
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(Cl)=C1	REAL300017191804	0	36	-1.0	-53.00	320.00	4.96	-48.04
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4NC(=O)NC(=O)C4=C3)CCN2N=C1	REAL300017191805	0	39	-1.0	-65.63	348.65	0.48	-65.15
O=C([O-])C1=C2CN(S(=O)(=O)C3=C(Cl)N=C4SC=CN43)CCN2N=C1	REAL300017191806	0	33	-1.0	-52.53	325.21	4.20	-48.33
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191807	0	39	-1.0	-62.22	354.35	1.61	-60.61
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCN4N=CC(C(=O)[O-])=C4C3)C=C2C1=O	REAL300017191808	0	40	-1.0	-54.11	358.77	3.35	-50.76
O=C([O-])C1=C2CN(S(=O)(=O)N3CCCCC3)CCN2N=C1	REAL300017191809	0	38	-1.0	-51.82	311.79	3.29	-48.53
O=C([O-])C1=C2CN(S(=O)(=O)N3CCCC3)CCN2N=C1	REAL300017191810	0	35	-1.0	-52.40	297.58	2.40	-50.00
CC1=CC(F)=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191811	0	36	-1.0	-53.98	306.87	4.54	-49.44
O=C([O-])C1=C2CN(S(=O)(=O)N3CCC4=CC=CC=C4C3)CCN2N=C1	REAL300017191812	0	42	-1.0	-54.59	349.87	5.40	-49.19
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C2=CC=CN=C12	REAL300017191813	0	41	-1.0	-56.40	344.14	5.02	-51.38
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1C	REAL300017191814	0	41	-1.0	-65.18	352.72	7.17	-58.01
CCOC(=O)C1CCCN(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C1	REAL300017191815	0	47	-1.0	-54.30	387.67	4.79	-49.51
CC1CCN(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)CC1	REAL300017191816	0	41	-1.0	-53.52	332.61	3.89	-49.63
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(F)C=C3Cl)CCN2N=C1	REAL300017191817	0	33	-1.0	-50.24	304.98	4.36	-45.88
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC(Cl)=CC=C3[N+](=O)[O-])CCN2N=C1	REAL300017191818	0	35	-1.0	-61.74	330.48	6.43	-55.31
N#CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191819	0	34	-1.0	-52.71	318.96	4.60	-48.11
O=C([O-])C1=C2CN(S(=O)(=O)C3=CNC(C(=O)N4CCCC4)=C3)CCN2N=C1	REAL300017191820	0	45	-1.0	-70.20	379.08	3.44	-66.76
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191821	0	39	-1.0	-61.88	353.86	1.61	-60.27
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC=C3C3=CC=CC=C3)CCN2N=C1	REAL300017191822	0	43	-1.0	-59.01	365.42	8.04	-50.97
CC1CC(C)CN(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C1	REAL300017191823	0	44	-1.0	-52.37	350.08	4.31	-48.06
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191824	0	42	-1.0	-54.88	369.80	5.67	-49.21
O=C([O-])C1=C2CN(S(=O)(=O)C3=C(F)C(F)=C(F)C(F)=C3F)CCN2N=C1	REAL300017191825	0	33	-1.0	-50.50	320.38	4.56	-45.94
CS(=O)(=O)CCCS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191826	0	38	-1.0	-64.70	342.66	0.11	-64.59
COC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(C)=C1C	REAL300017191827	0	43	-1.0	-55.98	345.96	4.42	-51.56
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCN4N=CC(C(=O)[O-])=C4C3)C=C21	REAL300017191828	0	44	-1.0	-55.91	376.44	3.60	-52.31
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC4=CC=CN=C4C=C3)CCN2N=C1	REAL300017191829	0	38	-1.0	-55.78	334.11	4.48	-51.30
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191830	0	37	-1.0	-53.38	330.80	4.54	-48.84
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191831	0	37	-1.0	-55.16	321.39	4.88	-50.28
N#CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(F)=C1	REAL300017191832	0	34	-1.0	-52.64	315.79	4.43	-48.21
COC(=O)C1=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=CC=C1OC	REAL300017191833	0	43	-1.0	-60.95	375.24	4.79	-56.16
COC(=O)C1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1C	REAL300017191834	0	42	-1.0	-54.42	363.96	5.28	-49.14
COC(=O)CCN(C)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191835	0	40	-1.0	-52.82	348.39	2.91	-49.91
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)CC1	REAL300017191836	0	43	-1.0	-58.16	366.64	-0.25	-58.41
CN(C1CCOCC1)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191837	0	42	-1.0	-52.21	341.47	2.13	-50.08
O=C([O-])C1=C2CN(S(=O)(=O)N3CC4CCC3C4)CCN2N=C1	REAL300017191838	0	39	-1.0	-52.76	321.32	3.63	-49.13
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(N4CCOC4=O)C=C3)CCN2N=C1	REAL300017191839	0	42	-1.0	-57.47	362.32	4.15	-53.32
CC1=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=NN1C1=CC=CC=N1	REAL300017191840	0	42	-1.0	-60.17	360.47	5.30	-54.87
CCN1N=C(C)C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1C	REAL300017191841	0	42	-1.0	-53.78	350.98	3.98	-49.80
CC(C)N1C=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=N1	REAL300017191842	0	39	-1.0	-58.49	337.92	3.19	-55.30
CC(C)CN1C=NC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191843	0	42	-1.0	-64.12	357.68	5.36	-58.76
CC(C)N1C=NC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191844	0	39	-1.0	-57.15	338.74	4.48	-52.67
CC(C)C1=NC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=CN1	REAL300017191845	0	39	-1.0	-65.05	336.95	2.54	-62.51
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191846	0	45	-1.0	-55.79	349.30	7.04	-48.75
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191847	0	41	-1.0	-71.46	359.60	3.50	-67.96
CC1=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(N)=NO1	REAL300017191848	0	34	-1.0	-55.00	299.61	1.48	-53.52
O=C([O-])C1=C2CN(S(=O)(=O)CCCOCC3=CC=CC=C3)CCN2N=C1	REAL300017191849	0	46	-1.0	-56.01	394.46	5.65	-50.36
O=C([O-])C1=C2CN(S(=O)(=O)C3=CNC4=CC=CC(F)=C34)CCN2N=C1	REAL300017191850	0	37	-1.0	-67.85	325.71	3.94	-63.91
O=C([O-])C1=C2CN(S(=O)(=O)C3=C4N=CSC4=CC=C3)CCN2N=C1	REAL300017191851	0	35	-1.0	-57.33	321.95	3.69	-53.64
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=N1	REAL300017191852	0	35	-1.0	-52.22	310.21	2.91	-49.31
O=C([O-])C1=C2CN(S(=O)(=O)C3=C(Cl)C=CC(F)=C3F)CCN2N=C1	REAL300017191853	0	33	-1.0	-53.42	315.48	4.96	-48.46
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(Cl)=N1	REAL300017191854	0	35	-1.0	-52.63	315.31	3.04	-49.59
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191855	0	37	-1.0	-64.49	342.23	5.12	-59.37
O=C([O-])C1=C2CN(S(=O)(=O)C3=CN=C(Cl)C(F)=C3)CCN2N=C1	REAL300017191856	0	32	-1.0	-52.44	310.92	2.78	-49.66
COC1=NC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1Cl	REAL300017191857	0	36	-1.0	-54.19	336.40	1.32	-52.87
CC(C)(C)CS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191858	0	38	-1.0	-52.61	308.90	3.99	-48.62
CC1=CC(C)=CC(CS(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191859	0	42	-1.0	-55.23	360.26	6.14	-49.09
COCC1=CC=C(OC)C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191860	0	44	-1.0	-58.48	372.23	3.66	-54.82
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191861	0	43	-1.0	-62.30	373.91	3.08	-59.22
CC1=CC(F)=CC=C1CS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191862	0	39	-1.0	-54.21	339.52	5.46	-48.75
O=C([O-])C1=C2CN(S(=O)(=O)C3=C(Cl)C=C(F)C=C3Cl)CCN2N=C1	REAL300017191863	0	33	-1.0	-49.58	319.19	5.36	-44.22
CC1CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)CCO1	REAL300017191864	0	40	-1.0	-57.22	320.81	2.49	-54.73
CC(COC1CCCC1)CS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191865	0	49	-1.0	-53.03	394.50	5.46	-47.57
CCOCC(C)CS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191866	0	42	-1.0	-53.28	349.55	3.39	-49.89
CC(CC#N)N(C)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191867	0	38	-1.0	-60.64	323.93	3.05	-57.59
COCCN(CCC#N)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191868	0	42	-1.0	-58.24	361.01	2.57	-55.67
O=C([O-])C1=C2CN(S(=O)(=O)C3=C(F)C(F)=CC(F)=C3F)CCN2N=C1	REAL300017191869	0	33	-1.0	-54.12	314.25	4.50	-49.62
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC4=CC=CC=C4N=C3)CCN2N=C1	REAL300017191870	0	38	-1.0	-59.58	334.35	4.46	-55.12
O=C([O-])C1=C2CN(S(=O)(=O)CC3=CC=CC(F)=C3F)CCN2N=C1	REAL300017191871	0	36	-1.0	-62.79	329.05	4.91	-57.88
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191872	0	49	-1.0	-57.48	393.35	6.26	-51.22
CCN(CC(C)C#N)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191873	0	41	-1.0	-58.79	343.73	3.70	-55.09
CC(C#N)CN(C)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191874	0	38	-1.0	-60.17	329.76	3.23	-56.94
O=C([O-])C1=C2CN(S(=O)(=O)CCC3=CC=CS3)CCN2N=C1	REAL300017191875	0	36	-1.0	-54.65	329.17	4.68	-49.97
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191876	0	41	-1.0	-62.99	361.51	5.57	-57.42
CC1=CC=C(CS(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1C	REAL300017191877	0	42	-1.0	-55.50	355.86	6.02	-49.48
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4OC(F)(F)OC4=C3)CCN2N=C1	REAL300017191878	0	36	-1.0	-49.73	333.20	3.18	-46.55
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191879	0	43	-1.0	-62.19	361.62	2.86	-59.33
O=C([O-])C1=C2CN(S(=O)(=O)CCC3=CC=C4OCCC4=C3)CCN2N=C1	REAL300017191880	0	44	-1.0	-56.60	374.83	5.44	-51.16
N#CCC1(CS(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)CC1	REAL300017191881	0	37	-1.0	-58.01	323.68	4.11	-53.90
O=C([O-])C1=C2CN(S(=O)(=O)C3=CN=C4ON=C(C5CC5)C4=C3)CCN2N=C1	REAL300017191882	0	41	-1.0	-54.15	364.29	2.65	-51.50
O=C([O-])C1=C2CN(S(=O)(=O)C3=C(Cl)C=C4CCC(=O)C4=C3)CCN2N=C1	REAL300017191883	0	39	-1.0	-61.68	346.61	5.28	-56.40
CN1N=NC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191884	0	32	-1.0	-51.80	287.17	0.50	-51.30
CC1=CC=C(CS(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(F)=C1	REAL300017191885	0	39	-1.0	-53.59	344.17	5.51	-48.08
CC(C(=O)N(C)C)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191886	0	39	-1.0	-60.85	325.00	2.26	-58.59
O=C([O-])C1=C2CN(S(=O)(=O)CCC3CC4=CC=CC=C4C3)CCN2N=C1	REAL300017191887	0	46	-1.0	-56.92	380.98	7.33	-49.59
CC(C)(C)C1=CC(CS(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=NO1	REAL300017191888	0	44	-1.0	-59.77	375.56	4.82	-54.95
O=C([O-])C1=C2CN(S(=O)(=O)CCC3CCC3)CCN2N=C1	REAL300017191889	0	39	-1.0	-52.87	327.22	4.65	-48.22
CC(C)(C)CCCS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191890	0	44	-1.0	-52.87	355.76	5.03	-47.84
O=C([O-])C1=C2CN(S(=O)(=O)CC3CCCS(=O)(=O)C3)CCN2N=C1	REAL300017191891	0	42	-1.0	-59.11	354.82	1.26	-57.85
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191892	0	42	-1.0	-53.22	362.98	6.51	-46.71
CC1=C(CCS(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)SC=N1	REAL300017191893	0	38	-1.0	-55.07	342.46	3.31	-51.76
COCC1(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)CC1	REAL300017191894	0	37	-1.0	-55.53	316.07	3.27	-52.26
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC4=CC=CC=C43)CCN2N=C1	REAL300017191895	0	39	-1.0	-59.21	329.01	6.10	-53.11
O=C([O-])C1=C2CN(S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])CCN2N=C1	REAL300017191896	0	38	-1.0	-55.84	335.50	5.85	-49.99
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(C4=CC=CC=C4)C=C3)CCN2N=C1	REAL300017191897	0	43	-1.0	-55.36	367.84	7.50	-47.86
CC1=CC=C(F)C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191898	0	36	-1.0	-57.47	306.83	4.55	-52.92
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191899	0	48	-1.0	-53.46	384.10	6.88	-46.58
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1Cl	REAL300017191900	0	36	-1.0	-52.66	328.61	5.20	-47.46
CC(C)OC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191901	0	43	-1.0	-53.46	362.93	4.94	-48.52
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC(F)=C(F)C(F)=C3)CCN2N=C1	REAL300017191902	0	33	-1.0	-52.27	312.15	4.27	-48.00
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(F)=C1	REAL300017191903	0	36	-1.0	-53.72	316.47	4.72	-49.00
CC1=CC=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191904	0	36	-1.0	-55.94	300.43	4.48	-51.46
CC1=NC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=CN1C	REAL300017191905	0	36	-1.0	-66.02	317.53	3.02	-63.00
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC(C(F)(F)F)=CC=C3F)CCN2N=C1	REAL300017191906	0	36	-1.0	-54.28	333.78	5.04	-49.24
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC(F)=C(F)C=C3F)CCN2N=C1	REAL300017191907	0	33	-1.0	-51.15	307.71	4.15	-47.00
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC4=NON=C43)CCN2N=C1	REAL300017191908	0	34	-1.0	-53.79	309.00	2.85	-50.94
CC1=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=CC=C1F	REAL300017191909	0	36	-1.0	-53.51	319.87	4.79	-48.72
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(F)C(C(F)(F)F)=C3)CCN2N=C1	REAL300017191910	0	36	-1.0	-56.63	337.47	5.15	-51.48
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC4=CC=CN=C43)CCN2N=C1	REAL300017191911	0	38	-1.0	-59.84	328.85	5.05	-54.79
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(F)C=C3C(F)(F)F)CCN2N=C1	REAL300017191912	0	36	-1.0	-55.26	327.69	5.62	-49.64
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CC(Cl)=C3F)CCN2N=C1	REAL300017191913	0	33	-1.0	-52.37	311.24	4.54	-47.83
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191914	0	39	-1.0	-53.99	345.31	4.59	-49.40
CC1=CC=C(F)C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191915	0	36	-1.0	-54.15	316.47	4.71	-49.44
COC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1F	REAL300017191916	0	37	-1.0	-59.09	328.87	3.46	-55.63
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1F	REAL300017191917	0	36	-1.0	-52.66	319.87	4.79	-47.87
O=C([O-])C1=C2CN(S(=O)(=O)C3=C(F)C=C(F)C=C3F)CCN2N=C1	REAL300017191918	0	33	-1.0	-52.12	308.56	4.45	-47.67
CN1C=NC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191919	0	33	-1.0	-65.47	297.19	3.20	-62.27
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=CN=C3)CCN2N=C1	REAL300017191920	0	32	-1.0	-54.11	288.13	2.30	-51.81
CC(=O)NC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1Cl	REAL300017191921	0	40	-1.0	-57.19	363.31	3.61	-53.58
CC1CCCCN1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191922	0	41	-1.0	-52.78	320.21	3.83	-48.95
CC(C)N(C)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191923	0	37	-1.0	-51.40	302.92	2.52	-48.88
CCCN(CCC)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191924	0	43	-1.0	-50.74	348.67	4.34	-46.40
CN(CCC#N)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191925	0	35	-1.0	-54.38	313.78	2.64	-51.74
N#CC1=CC=CC(CS(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191926	0	37	-1.0	-55.21	338.30	5.20	-50.01
O=C([O-])C1=C2CN(S(=O)(=O)CCC3=CC=CC=C3)CCN2N=C1	REAL300017191927	0	39	-1.0	-54.20	338.93	5.59	-48.61
CC1=CC=C(Cl)C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1Cl	REAL300017191928	0	36	-1.0	-55.27	333.37	5.93	-49.34
O=C([O-])C1=C2CN(S(=O)(=O)CC3=CC=C(Cl)C(Cl)=C3)CCN2N=C1	REAL300017191929	0	36	-1.0	-52.78	349.36	5.79	-46.99
COC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C2=CC=CC=C12	REAL300017191930	0	43	-1.0	-57.78	357.27	5.43	-52.35
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1C(N)=O	REAL300017191931	0	40	-1.0	-55.61	343.75	1.54	-54.07
COC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1C(N)=O	REAL300017191932	0	41	-1.0	-59.36	354.97	1.46	-57.90
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191933	0	38	-1.0	-54.71	328.70	5.13	-49.58
CC(=O)NC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(F)=C1	REAL300017191934	0	40	-1.0	-59.53	351.38	2.92	-56.61
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191935	0	38	-1.0	-59.58	323.89	5.00	-54.58
CCOC(=O)C1CCN(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)CC1	REAL300017191936	0	47	-1.0	-59.14	388.23	4.83	-54.31
CN1C=NC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1Cl	REAL300017191937	0	33	-1.0	-58.04	311.64	3.60	-54.44
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191938	0	46	-1.0	-61.17	397.35	3.88	-57.29
CCCCN(C)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191939	0	40	-1.0	-51.67	335.38	3.72	-47.95
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191940	0	41	-1.0	-56.41	354.82	6.66	-49.75
CC(C)CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191941	0	45	-1.0	-53.60	374.86	6.77	-46.83
COCCC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191942	0	43	-1.0	-54.24	370.22	4.60	-49.64
COCCN(CCOC)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191943	0	45	-1.0	-56.04	359.51	2.38	-53.66
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191944	0	36	-1.0	-56.67	317.16	5.00	-51.67
O=C([O-])C1=C2CN(S(=O)(=O)C3=CN(C4=CC=CC=C4F)N=C3)CCN2N=C1	REAL300017191945	0	40	-1.0	-63.92	358.11	5.38	-58.54
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC4=NC=C(Cl)N=C4C=C3)CCN2N=C1	REAL300017191946	0	37	-1.0	-56.63	345.92	2.96	-53.67
COC(=O)C1=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=CN1	REAL300017191947	0	37	-1.0	-55.37	336.55	2.43	-52.94
N#CC1=CC(F)=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191948	0	34	-1.0	-50.42	308.67	4.16	-46.26
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191949	0	34	-1.0	-50.14	319.00	4.60	-45.54
CC1=C(F)C=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191950	0	36	-1.0	-53.17	305.76	4.50	-48.67
COC(=O)CN1C=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=N1	REAL300017191951	0	39	-1.0	-67.08	352.50	2.87	-64.21
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(Cl)C4=CC=CC=C43)CCN2N=C1	REAL300017191952	0	39	-1.0	-54.71	343.34	6.51	-48.20
CCC1=NC2=CC(S(=O)(=O)N3CCN4N=CC(C(=O)[O-])=C4C3)=CC=C2O1	REAL300017191953	0	41	-1.0	-53.55	358.75	2.48	-51.07
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191954	0	39	-1.0	-58.36	354.34	4.81	-53.55
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191955	0	42	-1.0	-57.99	376.20	5.73	-52.26
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191956	0	48	-1.0	-57.92	383.68	5.09	-52.83
CC1=CC=C(CS(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1F	REAL300017191957	0	39	-1.0	-57.38	344.16	5.52	-51.86
COCCC(C)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191958	0	39	-1.0	-53.85	323.37	2.28	-51.57
CCC(C)CS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191959	0	38	-1.0	-52.52	312.99	3.97	-48.55
N#CCC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1	REAL300017191960	0	37	-1.0	-59.08	335.90	5.26	-53.82
O=C([O-])C1=C2CN(S(=O)(=O)N3CCC4(CCCCC4)CC3)CCN2N=C1	REAL300017191961	0	51	-1.0	-51.80	380.70	5.75	-46.05
CC1=NC2=C(S(=O)(=O)N3CCN4N=CC(C(=O)[O-])=C4C3)C=CC=C2C=C1	REAL300017191962	0	41	-1.0	-59.90	350.35	5.64	-54.26
O=C([O-])C1=C2CN(S(=O)(=O)CCC3=CC=CC=C3[N+](=O)[O-])CCN2N=C1	REAL300017191963	0	41	-1.0	-55.25	358.45	5.97	-49.28
CCN(CC1CC1)S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191964	0	41	-1.0	-52.24	338.19	4.35	-47.89
O=C([O-])C1=C2CN(S(=O)(=O)C3=CN(C4CCOCC4)N=C3)CCN2N=C1	REAL300017191965	0	44	-1.0	-57.89	370.28	2.64	-55.25
CCCN1C=NC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191966	0	39	-1.0	-57.21	340.63	4.85	-52.36
N#CC1=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=CS1	REAL300017191967	0	31	-1.0	-52.64	297.63	3.26	-49.38
O=C([O-])C1=C2CN(S(=O)(=O)CC3CCC(F)CC3)CCN2N=C1	REAL300017191968	0	42	-1.0	-53.31	342.74	5.29	-48.02
CC1=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=CC=C1Cl	REAL300017191969	0	36	-1.0	-53.36	328.62	5.18	-48.18
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C4CCC(=O)C4=C3)CCN2N=C1	REAL300017191970	0	39	-1.0	-57.46	341.26	5.07	-52.39
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191971	0	42	-1.0	-58.55	370.06	5.32	-53.23
O=C([O-])C1=C2CN(S(=O)(=O)CC3=CC(F)=CC=C3Cl)CCN2N=C1	REAL300017191972	0	36	-1.0	-53.45	337.40	5.32	-48.13
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191973	0	40	-1.0	-58.85	349.08	1.52	-57.33
CCC1CCN(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)CC1	REAL300017191974	0	44	-1.0	-53.44	350.77	4.53	-48.91
O=C([O-])C1=C2CN(S(=O)(=O)CCC3=CC=C(F)C=C3)CCN2N=C1	REAL300017191975	0	39	-1.0	-54.68	345.35	5.66	-49.02
O=C([O-])C1=C2CN(S(=O)(=O)CCC3=CC=CC=C3F)CCN2N=C1	REAL300017191976	0	39	-1.0	-53.06	344.39	5.62	-47.44
O=C([O-])C1=C2CN(S(=O)(=O)CCC3=CC=CC=C3Cl)CCN2N=C1	REAL300017191977	0	39	-1.0	-52.45	352.70	6.01	-46.44
COC1CCN(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)CC1	REAL300017191978	0	42	-1.0	-54.92	344.16	2.29	-52.63
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191979	0	46	-1.0	-54.26	383.18	5.75	-48.51
CC(CC(F)(F)F)CS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191980	0	38	-1.0	-53.96	328.95	4.30	-49.66
COC1=CC(F)=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191981	0	37	-1.0	-54.15	323.52	4.01	-50.14
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)O1	REAL300017191982	0	39	-1.0	-52.21	350.62	3.47	-48.74
CCC1=NC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=CN1CC1CC1	REAL300017191983	0	46	-1.0	-65.00	387.36	5.89	-59.11
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCN4N=CC(C(=O)[O-])=C4C3)C=C2C1	REAL300017191984	0	44	-1.0	-65.50	378.14	4.65	-60.85
O=C([O-])C1=C2CN(S(=O)(=O)C3=CN=C(C4CC4)S3)CCN2N=C1	REAL300017191985	0	36	-1.0	-54.63	332.92	3.60	-51.03
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C(C)=C1[N+](=O)[O-]	REAL300017191986	0	41	-1.0	-53.51	349.00	6.05	-47.46
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191987	0	40	-1.0	-52.64	338.69	4.03	-48.61
COC(CS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1)C1=CC=C(F)C=C1	REAL300017191988	0	43	-1.0	-56.67	376.58	4.80	-51.87
COC(=O)NC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1C	REAL300017191989	0	44	-1.0	-56.38	377.85	3.18	-53.20
O=C([O-])C1=C2CN(S(=O)(=O)CC3(C(F)F)CCCC3)CCN2N=C1	REAL300017191990	0	42	-1.0	-57.25	342.40	5.29	-51.96
CCOC1(CS(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)CCOCC1	REAL300017191991	0	47	-1.0	-57.71	370.74	2.84	-54.87
CCOC(CS(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1)C1CC1	REAL300017191992	0	43	-1.0	-55.69	357.77	4.40	-51.29
CC1=NC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)N1C	REAL300017191993	0	36	-1.0	-53.38	312.14	3.05	-50.33
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191994	0	36	-1.0	-53.02	335.94	2.65	-50.37
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191995	0	39	-1.0	-54.11	337.36	4.63	-49.48
O=C([O-])C1=C2CN(S(=O)(=O)C3=CN(C4CCOC4)N=C3)CCN2N=C1	REAL300017191996	0	41	-1.0	-57.65	352.63	1.90	-55.75
COC1=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=CC=C1[N+](=O)[O-]	REAL300017191997	0	39	-1.0	-55.93	348.67	4.83	-51.10
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191998	0	39	-1.0	-57.82	339.49	5.49	-52.33
COCCN1C=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=N1	REAL300017191999	0	40	-1.0	-52.71	353.37	1.70	-51.01
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017192000	0	46	-1.0	-58.10	383.77	5.58	-52.52
COC[C@H](NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300017195092	0	35	-1.0	-44.34	314.17	2.76	-41.58
COC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017195093	0	34	-1.0	-42.23	329.94	3.13	-39.10
COC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017195094	0	35	-1.0	-44.57	333.72	2.16	-42.41
COC[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300017195095	0	41	-1.0	-47.42	350.57	2.85	-44.57
COC[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300017195096	0	47	-1.0	-45.15	355.22	3.10	-42.05
COC[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300017195097	0	37	-1.0	-53.18	312.52	3.01	-50.17
COC[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195098	0	37	-1.0	-53.30	328.50	3.23	-50.07
COC[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300017195099	0	40	-1.0	-47.44	343.35	-0.06	-47.50
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195100	0	43	-1.0	-44.90	372.34	2.47	-42.43
COC[C@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017195101	0	30	-1.0	-40.46	301.57	1.98	-38.48
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017195102	0	32	-1.0	-43.10	301.65	2.50	-40.60
COC[C@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300017195103	0	35	-1.0	-52.19	316.20	2.40	-49.79
COC[C@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300017195104	0	38	-1.0	-47.08	352.43	2.86	-44.22
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017195105	0	35	-1.0	-50.91	329.58	2.18	-48.73
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300017195106	0	38	-1.0	-48.04	334.89	2.34	-45.70
COC[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017195107	0	35	-1.0	-44.30	324.32	3.18	-41.12
COC[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017195108	0	32	-1.0	-45.34	310.40	2.61	-42.73
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300017195109	0	29	-1.0	-41.38	305.89	2.57	-38.81
COC[C@H](NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017195110	0	36	-1.0	-53.39	324.03	-1.15	-54.54
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195111	0	54	-1.0	-45.42	446.53	6.32	-39.10
COC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300017195112	0	44	-1.0	-47.91	376.07	3.74	-44.17
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195113	0	39	-1.0	-42.87	340.34	3.70	-39.17
COC[C@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017195114	0	35	-1.0	-44.51	318.34	2.95	-41.56
COC[C@H](NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300017195115	0	35	-1.0	-47.96	316.46	2.91	-45.05
COC[C@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017195116	0	35	-1.0	-46.48	323.56	3.25	-43.23
COC[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300017195117	0	33	-1.0	-40.32	305.13	2.18	-38.14
COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300017195118	0	44	-1.0	-49.09	354.24	0.58	-48.51
COC[C@H](NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300017195119	0	40	-1.0	-48.81	358.43	1.88	-46.93
COC[C@H](NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300017195120	0	36	-1.0	-45.64	340.77	4.02	-41.62
COC[C@H](NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300017195121	0	33	-1.0	-46.26	311.85	-1.52	-47.78
COC[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017195122	0	32	-1.0	-44.95	313.63	2.73	-42.22
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195123	0	42	-1.0	-48.59	358.13	3.07	-45.52
COC[C@H](NS(=O)(=O)CC(C)CC(F)(F)F)C(=O)[O-]	REAL300017195124	0	34	-1.0	-41.52	301.87	1.58	-39.94
COC[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C(=O)[O-]	REAL300017195125	0	36	-1.0	-51.88	329.78	3.58	-48.30
COC[C@H](NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300017195126	0	41	-1.0	-48.80	358.02	1.21	-47.59
COC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1OC)C(=O)[O-]	REAL300017195127	0	33	-1.0	-43.15	284.61	1.58	-41.57
COC[C@H](NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017195128	0	35	-1.0	-48.04	323.63	0.80	-47.24
CCC1=NC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CN1CC1CC1	REAL300017195129	0	42	-1.0	-56.89	358.17	4.12	-52.77
COC[C@H](NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300017195130	0	40	-1.0	-53.81	353.09	1.98	-51.83
COC[C@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300017195131	0	32	-1.0	-45.78	305.94	0.93	-44.85
COC[C@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300017195132	0	32	-1.0	-55.34	314.39	1.14	-54.20
CCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1C(C)C	REAL300017195133	0	48	-1.0	-46.55	397.67	4.44	-42.11
COC[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017195134	0	37	-1.0	-47.06	325.76	3.73	-43.33
COC[C@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300017195135	0	36	-1.0	-45.75	312.60	1.25	-44.50
COC[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300017195136	0	42	-1.0	-47.32	369.08	3.75	-43.57
COC[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300017195137	0	43	-1.0	-49.42	385.59	4.77	-44.65
COC[C@H](NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300017195138	0	39	-1.0	-45.61	337.93	2.71	-42.90
COC[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300017195139	0	41	-1.0	-49.39	352.34	2.85	-46.54
COC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300017195140	0	37	-1.0	-48.99	350.01	0.31	-48.68
COC[C@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300017195141	0	41	-1.0	-48.57	358.77	4.27	-44.30
COC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300017195142	0	40	-1.0	-51.68	352.83	0.51	-51.17
COC[C@H](NS(=O)(=O)CC1(C(F)F)CCCC1)C(=O)[O-]	REAL300017195143	0	38	-1.0	-42.70	315.90	2.57	-40.13
CCOC1(CS(=O)(=O)N[C@@H](COC)C(=O)[O-])CCOCC1	REAL300017195144	0	43	-1.0	-44.34	344.24	0.16	-44.18
COC[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017195145	0	35	-1.0	-50.83	320.36	1.75	-49.08
COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300017195146	0	40	-1.0	-62.16	362.13	3.11	-59.05
COC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300017195147	0	32	-1.0	-43.83	307.79	-0.01	-43.84
COC[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017195148	0	40	-1.0	-47.91	366.83	5.49	-42.42
COC[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300017195149	0	32	-1.0	-40.86	307.03	2.77	-38.09
COC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300017195150	0	32	-1.0	-45.91	301.76	2.71	-43.20
COC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(=O)OC)C(=O)[O-]	REAL300017195151	0	35	-1.0	-48.72	322.31	2.92	-45.80
COC[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300017195152	0	37	-1.0	-46.47	326.16	-0.83	-47.30
COC[C@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300017195153	0	33	-1.0	-44.98	316.99	1.32	-43.66
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300017195154	0	35	-1.0	-44.39	321.73	2.14	-42.25
COC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300017195155	0	35	-1.0	-42.48	319.15	3.26	-39.22
COCCN1C=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=N1	REAL300017195156	0	36	-1.0	-48.73	327.86	-0.96	-49.69
COC[C@H](NS(=O)(=O)C1=C(C)N(CC2CC2)N=C1C)C(=O)[O-]	REAL300017195157	0	42	-1.0	-49.08	356.27	2.86	-46.22
COC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300017195158	0	36	-1.0	-50.90	332.47	1.96	-48.94
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1C	REAL300017195159	0	56	-1.0	-49.19	455.32	6.00	-43.19
COC[C@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300017195160	0	43	-1.0	-48.60	378.93	-0.64	-49.24
COC[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017195161	0	37	-1.0	-45.81	340.15	3.55	-42.26
COC[C@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300017195162	0	29	-1.0	-42.90	295.10	2.08	-40.82
COC[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300017195163	0	32	-1.0	-44.28	299.17	2.15	-42.13
COC[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300017195164	0	36	-1.0	-58.98	332.47	-0.69	-59.67
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CC=C21	REAL300017195165	0	38	-1.0	-47.07	343.79	2.41	-44.66
COC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017195166	0	32	-1.0	-43.72	299.06	2.80	-40.92
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195167	0	36	-1.0	-45.67	309.18	1.36	-44.31
COC[C@H](NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300017195168	0	33	-1.0	-45.10	318.01	1.39	-43.71
COC[C@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017195169	0	32	-1.0	-61.24	337.14	-1.52	-62.76
COC[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300017195170	0	32	-1.0	-50.52	312.06	0.48	-50.04
COC[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300017195171	0	40	-1.0	-48.90	345.54	2.67	-46.23
COC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017195172	0	37	-1.0	-50.49	347.05	-1.81	-52.30
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C(OC)=C1	REAL300017195173	0	44	-1.0	-48.23	376.86	-0.98	-49.21
COC[C@H](NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300017195174	0	48	-1.0	-50.85	422.93	2.40	-48.45
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1F	REAL300017195175	0	43	-1.0	-48.62	389.78	-0.11	-48.73
COC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300017195176	0	44	-1.0	-51.38	363.48	2.22	-49.16
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1F	REAL300017195177	0	40	-1.0	-48.96	368.28	-0.90	-49.86
CCC(=O)NCC1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CC=C1OC	REAL300017195178	0	46	-1.0	-51.60	397.11	0.55	-51.05
CCC1=CC=C(CS(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195179	0	38	-1.0	-45.22	330.33	3.49	-41.73
COC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300017195180	0	33	-1.0	-46.66	314.55	1.43	-45.23
COC[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300017195181	0	44	-1.0	-47.50	379.94	1.84	-45.66
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195182	0	38	-1.0	-55.72	350.03	-0.15	-55.87
COC[C@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300017195183	0	31	-1.0	-43.75	314.47	1.30	-42.45
COC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300017195184	0	34	-1.0	-44.02	324.64	2.46	-41.56
COC[C@H](NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300017195185	0	34	-1.0	-66.38	324.08	2.49	-63.89
COC[C@H](NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300017195186	0	30	-1.0	-40.89	309.98	2.45	-38.44
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1Br	REAL300017195187	0	36	-1.0	-45.55	337.96	2.29	-43.26
COC[C@H](NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017195188	0	43	-1.0	-45.51	383.92	0.80	-44.71
COC[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017195189	0	32	-1.0	-51.79	301.05	2.15	-49.64
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195190	0	42	-1.0	-47.69	377.70	3.07	-44.62
COC[C@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300017195191	0	29	-1.0	-40.76	297.06	2.82	-37.94
COC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300017195192	0	39	-1.0	-47.87	341.44	2.32	-45.55
COC[C@H](NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300017195193	0	45	-1.0	-46.49	380.02	3.74	-42.75
COC[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300017195194	0	43	-1.0	-46.36	362.75	3.64	-42.72
COC[C@H](NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300017195195	0	42	-1.0	-45.61	359.14	3.11	-42.50
CCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195196	0	39	-1.0	-45.57	339.03	2.42	-43.15
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300017195197	0	33	-1.0	-47.05	313.64	1.27	-45.78
COC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017195198	0	33	-1.0	-47.36	323.39	1.55	-45.81
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300017195199	0	36	-1.0	-47.66	317.66	1.46	-46.20
COC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300017195200	0	42	-1.0	-47.76	357.46	3.01	-44.75
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300017195201	0	36	-1.0	-45.89	310.15	1.56	-44.33
COCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195202	0	40	-1.0	-49.13	351.16	0.89	-48.24
COCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1C	REAL300017195203	0	43	-1.0	-47.43	371.25	1.63	-45.80
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195204	0	40	-1.0	-52.34	358.61	1.10	-51.24
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300017195205	0	44	-1.0	-48.83	370.87	0.83	-48.00
COC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017195206	0	39	-1.0	-55.69	340.64	1.24	-54.45
COC[C@H](NS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300017195207	0	32	-1.0	-46.80	306.49	2.79	-44.01
COC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300017195208	0	35	-1.0	-63.12	342.10	-0.48	-63.60
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017195209	0	35	-1.0	-47.86	328.17	3.42	-44.44
COC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300017195210	0	30	-1.0	-41.40	302.39	2.20	-39.20
COC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300017195211	0	32	-1.0	-42.20	302.14	2.89	-39.31
COC[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300017195212	0	37	-1.0	-50.82	315.01	4.27	-46.55
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl)C(=O)[O-]	REAL300017195213	0	35	-1.0	-60.84	336.11	2.66	-58.18
COC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300017195214	0	38	-1.0	-55.16	341.17	-0.21	-55.37
COC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300017195215	0	33	-1.0	-42.19	308.07	3.19	-39.00
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300017195216	0	30	-1.0	-43.34	304.35	2.22	-41.12
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195217	0	45	-1.0	-51.02	380.33	3.18	-47.84
COC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300017195218	0	41	-1.0	-51.26	377.13	-0.74	-52.00
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195219	0	37	-1.0	-50.82	342.80	-2.44	-53.26
COC[C@H](NS(=O)(=O)C1=CC=C(CCNC(C)=O)S1)C(=O)[O-]	REAL300017195220	0	39	-1.0	-50.79	362.28	0.34	-50.45
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017195221	0	32	-1.0	-47.23	305.73	0.22	-47.01
COC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195222	1	31	-1.0	-52.39	293.56	3.12	-49.27
COC[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300017195223	0	32	-1.0	-41.91	323.90	3.11	-38.80
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C(C)N1	REAL300017195224	0	42	-1.0	-50.39	360.36	1.99	-48.40
COC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017195225	0	29	-1.0	-46.90	287.14	2.36	-44.54
COC[C@H](NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300017195226	0	35	-1.0	-48.04	345.65	1.97	-46.07
COC[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300017195227	0	49	-1.0	-45.47	400.78	5.01	-40.46
COC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017195228	0	39	-1.0	-49.71	365.36	0.99	-48.72
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C)C(=O)[O-]	REAL300017195229	0	38	-1.0	-47.36	335.02	2.91	-44.45
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195230	0	31	-1.0	-47.09	296.88	3.31	-43.78
COC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300017195231	0	37	-1.0	-48.45	319.75	0.29	-48.16
COC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300017195232	0	40	-1.0	-46.46	336.62	1.39	-45.07
COC[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195233	1	31	-1.0	-44.71	317.26	4.12	-40.59
COC[C@H](NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300017195234	0	37	-1.0	-52.31	312.49	3.07	-49.24
COC[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300017195235	0	32	-1.0	-55.56	306.92	2.31	-53.25
COC[C@H](NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300017195236	0	34	-1.0	-47.94	308.39	-2.44	-50.38
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300017195237	0	32	-1.0	-42.22	297.56	2.79	-39.43
CCOC(=O)C1CCCN1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195238	0	40	-1.0	-46.18	342.85	2.23	-43.95
CNC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CN1C	REAL300017195239	0	37	-1.0	-48.40	330.07	-0.95	-49.35
COC[C@H](NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300017195240	0	39	-1.0	-46.87	323.74	2.26	-44.61
COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300017195241	0	37	-1.0	-47.01	340.74	1.18	-45.83
COC[C@H](NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300017195242	0	38	-1.0	-45.44	345.24	2.76	-42.68
COC[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300017195243	0	40	-1.0	-43.95	340.71	1.27	-42.68
COC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300017195244	0	40	-1.0	-47.14	343.35	1.58	-45.56
COC[C@H](NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017195245	0	38	-1.0	-50.85	345.25	2.75	-48.10
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])O1	REAL300017195246	0	35	-1.0	-48.83	329.51	1.14	-47.69
COC[C@H](NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300017195247	0	42	-1.0	-49.34	374.91	2.49	-46.85
COC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300017195248	0	39	-1.0	-46.07	330.41	2.31	-43.76
COC[C@H](NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300017195249	0	33	-1.0	-53.89	306.46	1.79	-52.10
COC[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017195250	0	32	-1.0	-46.47	304.54	3.50	-42.97
COC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195251	0	31	-1.0	-47.01	301.42	3.41	-43.60
COC[C@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195252	0	34	-1.0	-51.33	295.64	3.57	-47.76
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300017195253	0	31	-1.0	-41.44	311.35	2.81	-38.63
COC[C@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017195254	0	26	-1.0	-38.89	267.64	0.62	-38.27
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300017195255	0	33	-1.0	-45.22	302.48	1.72	-43.50
COC[C@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300017195256	0	37	-1.0	-50.14	313.55	2.60	-47.54
COC[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300017195257	0	31	-1.0	-42.97	302.14	0.73	-42.24
COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300017195258	0	37	-1.0	-49.30	319.73	0.25	-49.05
COC[C@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017195259	0	28	-1.0	-42.09	292.46	0.54	-41.55
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300017195260	0	31	-1.0	-44.93	289.26	1.74	-43.19
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017195261	0	31	-1.0	-40.84	310.61	2.52	-38.32
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195262	0	38	-1.0	-53.83	348.12	-0.07	-53.90
CCN1C=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017195263	0	34	-1.0	-58.01	318.77	2.28	-55.73
COC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195264	0	31	-1.0	-51.51	296.60	3.21	-48.30
COC[C@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017195265	0	31	-1.0	-42.78	302.73	2.15	-40.63
COC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300017195266	0	36	-1.0	-44.53	337.11	2.08	-42.45
COC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195267	0	31	-1.0	-46.11	301.42	3.42	-42.69
COC[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017195268	0	43	-1.0	-46.80	377.45	4.68	-42.12
COC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017195269	0	37	-1.0	-50.13	338.26	-2.30	-52.43
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195270	0	37	-1.0	-51.90	331.19	2.68	-49.22
CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](COC)C(=O)[O-])CC1	REAL300017195271	0	42	-1.0	-47.47	356.10	0.29	-47.18
COC[C@H](NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300017195272	0	38	-1.0	-49.93	347.15	2.66	-47.27
COC[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017195273	0	39	-1.0	-49.67	353.84	3.00	-46.67
COC[C@H](NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300017195274	0	51	-1.0	-45.16	401.96	4.19	-40.97
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Br)C(=O)[O-]	REAL300017195275	0	35	-1.0	-45.57	337.84	2.79	-42.78
COC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017195276	0	37	-1.0	-47.04	341.66	-1.88	-48.92
COC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300017195277	0	44	-1.0	-55.73	390.04	0.55	-55.18
COC[C@H](NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017195278	0	35	-1.0	-46.22	331.29	-1.06	-47.28
COC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017195279	0	35	-1.0	-45.87	339.16	2.54	-43.33
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C2=CC=CC=C12	REAL300017195280	0	42	-1.0	-49.01	354.31	3.89	-45.12
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195281	0	39	-1.0	-47.06	321.88	2.74	-44.32
COC[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300017195282	0	34	-1.0	-55.69	316.44	1.58	-54.11
COC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017195283	0	36	-1.0	-50.97	328.67	2.53	-48.44
COC[C@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017195284	0	31	-1.0	-45.02	312.25	2.56	-42.46
COC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300017195285	0	30	-1.0	-53.97	292.69	1.71	-52.26
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195286	0	43	-1.0	-49.28	373.02	1.85	-47.43
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195287	0	45	-1.0	-46.46	383.95	4.00	-42.46
COC[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195288	0	31	-1.0	-49.34	297.81	3.54	-45.80
COC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017195289	0	35	-1.0	-46.37	327.19	2.12	-44.25
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017195290	0	35	-1.0	-41.48	343.30	2.92	-38.56
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC)C(=O)[O-]	REAL300017195291	0	39	-1.0	-47.04	334.89	1.88	-45.16
COC[C@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)S1)C(=O)[O-]	REAL300017195292	0	35	-1.0	-48.31	337.22	2.04	-46.27
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CS1)C(=O)[O-]	REAL300017195293	0	32	-1.0	-45.51	314.24	1.10	-44.41
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C)C(=O)[O-]	REAL300017195294	0	41	-1.0	-47.77	352.69	3.46	-44.31
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017195295	0	35	-1.0	-46.10	335.41	2.46	-43.64
COC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017195296	0	38	-1.0	-46.07	338.68	2.62	-43.45
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F)C(=O)[O-]	REAL300017195297	0	35	-1.0	-47.09	314.68	1.71	-45.38
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300017195298	0	39	-1.0	-46.36	318.34	3.94	-42.42
COC[C@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017195299	0	35	-1.0	-49.94	315.06	3.20	-46.74
COC[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300017195300	0	28	-1.0	-43.83	284.42	0.22	-43.61
COC[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300017195301	0	33	-1.0	-43.00	324.49	2.88	-40.12
COC[C@H](NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300017195302	0	34	-1.0	-45.14	302.18	0.69	-44.45
COC[C@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300017195303	0	34	-1.0	-44.04	318.53	-3.10	-47.14
COC[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300017195304	0	43	-1.0	-49.32	381.10	3.36	-45.96
COC[C@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300017195305	0	38	-1.0	-50.22	329.41	1.82	-48.40
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC)C(=O)[O-]	REAL300017195306	0	34	-1.0	-48.79	319.06	1.34	-47.45
COC[C@H](NS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300017195307	0	32	-1.0	-45.88	287.85	1.79	-44.09
COC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300017195308	0	36	-1.0	-44.15	319.69	2.41	-41.74
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300017195309	0	41	-1.0	-49.27	358.82	2.96	-46.31
CCCCCCN1C=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C(=O)NC1=O	REAL300017195310	0	47	-1.0	-54.95	394.26	2.37	-52.58
COC[C@H](NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300017195311	0	39	-1.0	-50.19	352.47	3.47	-46.72
COC[C@H](NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300017195312	0	36	-1.0	-43.27	333.29	0.13	-43.14
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195313	0	36	-1.0	-50.17	330.54	-3.88	-54.05
COC[C@H](NS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300017195314	0	32	-1.0	-44.52	286.66	1.77	-42.75
COC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300017195315	0	34	-1.0	-42.37	322.93	3.16	-39.21
COC[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017195316	0	26	-1.0	-46.21	272.49	0.15	-46.06
COC[C@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017195317	0	35	-1.0	-50.62	318.54	3.00	-47.62
COC[C@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017195318	0	26	-1.0	-51.69	295.91	1.65	-50.04
COC[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1)C(=O)[O-]	REAL300017195319	0	32	-1.0	-44.73	311.52	2.92	-41.81
COC[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300017195320	0	32	-1.0	-44.72	321.83	3.36	-41.36
COC[C@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017195321	0	35	-1.0	-45.95	335.47	4.32	-41.63
COC[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017195322	0	32	-1.0	-45.99	321.44	3.30	-42.69
COC[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300017195323	0	35	-1.0	-49.21	312.30	4.20	-45.01
COC[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017195324	0	35	-1.0	-50.58	326.08	4.28	-46.30
COC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017195325	0	40	-1.0	-46.38	370.88	0.36	-46.02
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CN1C	REAL300017195326	0	39	-1.0	-53.43	351.14	2.46	-50.97
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CC=C2O1	REAL300017195327	0	43	-1.0	-51.51	381.35	3.67	-47.84
COC[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017195328	0	35	-1.0	-53.39	331.30	-1.06	-54.45
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300017195329	0	38	-1.0	-48.35	353.40	1.27	-47.08
COC[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300017195330	0	42	-1.0	-50.39	372.74	2.92	-47.47
COC[C@H](NS(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1)C(=O)[O-]	REAL300017195331	0	35	-1.0	-48.65	323.70	3.63	-45.02
COC[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300017195332	0	40	-1.0	-47.92	363.69	-1.61	-49.53
COC[C@H](NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017195333	1	30	-1.0	-43.11	296.96	2.07	-41.04
COC[C@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300017195334	0	40	-1.0	-46.89	343.01	2.08	-44.81
COC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300017195335	0	34	-1.0	-41.27	320.77	3.16	-38.11
COC[C@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300017195336	0	33	-1.0	-46.89	323.33	2.89	-44.00
COC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300017195337	0	32	-1.0	-53.20	305.71	1.92	-51.28
COC[C@H](NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017195338	0	41	-1.0	-51.40	367.75	3.87	-47.53
COC[C@H](NS(=O)(=O)C1=CC(N(C)C)=CC=C1Br)C(=O)[O-]	REAL300017195339	0	37	-1.0	-47.88	336.16	2.51	-45.37
COC[C@H](NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300017195340	0	34	-1.0	-48.07	324.71	1.15	-46.92
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300017195341	0	35	-1.0	-47.69	328.18	3.42	-44.27
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195342	0	41	-1.0	-49.73	344.32	1.89	-47.84
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C12	REAL300017195343	0	36	-1.0	-48.22	329.10	-0.85	-49.07
COC[C@H](NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017195344	0	34	-1.0	-44.62	319.24	2.72	-41.90
COC[C@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300017195345	0	35	-1.0	-46.24	335.30	4.31	-41.93
COC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300017195346	0	35	-1.0	-46.47	312.78	2.84	-43.63
COC[C@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300017195347	0	32	-1.0	-60.99	302.17	1.21	-59.78
COC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300017195348	0	32	-1.0	-43.76	323.88	3.17	-40.59
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195349	1	44	-1.0	-52.79	387.01	-1.51	-54.30
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300017195350	0	37	-1.0	-50.10	328.96	-0.46	-50.56
COC[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017195351	0	28	-1.0	-39.94	288.50	0.48	-39.46
COC[C@H](NS(=O)(=O)C1CCCCC1C(=O)OC)C(=O)[O-]	REAL300017195352	0	41	-1.0	-48.76	329.63	2.54	-46.22
COC[C@H](NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300017195353	0	42	-1.0	-46.97	366.45	4.04	-42.93
COC[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300017195354	0	36	-1.0	-59.39	308.35	1.95	-57.44
COC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300017195355	0	33	-1.0	-46.40	322.55	2.80	-43.60
COC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300017195356	0	35	-1.0	-43.10	334.80	-0.51	-43.61
COC[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300017195357	0	33	-1.0	-40.84	307.16	1.89	-38.95
COC[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300017195358	0	38	-1.0	-47.10	331.48	5.07	-42.03
CCC1=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C(C(=O)OC)O1	REAL300017195359	0	38	-1.0	-45.45	346.00	1.74	-43.71
COC[C@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300017195360	0	46	-1.0	-64.40	381.28	3.20	-61.20
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300017195361	0	36	-1.0	-47.15	315.27	1.60	-45.55
COC[C@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017195362	0	49	-1.0	-46.63	384.31	2.97	-43.66
COC[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017195363	0	43	-1.0	-42.48	353.83	1.41	-41.07
COC[C@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300017195364	0	40	-1.0	-43.21	359.74	2.07	-41.14
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300017195365	0	37	-1.0	-45.12	334.59	3.44	-41.68
COC[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300017195366	0	39	-1.0	-45.51	321.69	2.29	-43.22
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300017195367	0	38	-1.0	-50.63	328.67	2.85	-47.78
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300017195368	0	44	-1.0	-42.80	370.02	2.90	-39.90
COC[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300017195369	0	32	-1.0	-46.50	305.79	0.32	-46.18
COC[C@H](NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300017195370	0	33	-1.0	-45.53	303.82	0.79	-44.74
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195371	0	40	-1.0	-46.10	331.00	2.25	-43.85
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195372	0	43	-1.0	-47.01	382.82	2.67	-44.34
COC[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300017195373	0	38	-1.0	-45.35	317.11	3.37	-41.98
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300017195374	0	43	-1.0	-44.07	365.63	4.71	-39.36
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300017195375	0	29	-1.0	-42.03	297.25	2.17	-39.86
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CC=C2O1	REAL300017195376	0	44	-1.0	-46.53	389.90	4.07	-42.46
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195377	0	41	-1.0	-47.13	356.99	3.86	-43.27
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017195378	0	29	-1.0	-50.47	303.42	2.55	-47.92
COC[C@H](NS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300017195379	0	29	-1.0	-42.48	295.17	1.63	-40.85
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1F)C(=O)[O-]	REAL300017195380	0	33	-1.0	-50.26	290.52	0.37	-49.89
COC[C@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195381	0	37	-1.0	-52.69	319.33	4.33	-48.36
COC[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300017195382	0	35	-1.0	-45.54	329.12	3.21	-42.33
COC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017195383	0	39	-1.0	-41.15	351.05	4.30	-36.85
COC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300017195384	0	37	-1.0	-47.27	333.39	-0.39	-47.66
COC[C@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300017195385	0	37	-1.0	-48.84	319.61	1.81	-47.03
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300017195386	0	35	-1.0	-48.61	313.47	1.92	-46.69
COC[C@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017195388	0	32	-1.0	-49.28	302.27	2.35	-46.93
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017195389	0	32	-1.0	-41.42	323.65	2.97	-38.45
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017195390	0	32	-1.0	-45.11	299.78	2.07	-43.04
COC[C@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300017195391	0	32	-1.0	-44.58	310.81	2.70	-41.88
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195392	0	40	-1.0	-43.67	316.16	-0.46	-44.13
COC[C@H](NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300017195393	0	33	-1.0	-47.86	303.21	2.49	-45.37
COC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1)C(=O)[O-]	REAL300017195394	0	36	-1.0	-48.51	342.37	1.07	-47.44
COC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017195395	0	40	-1.0	-53.16	340.71	1.74	-51.42
COC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017195396	0	41	-1.0	-51.57	355.19	1.79	-49.78
COC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300017195397	0	35	-1.0	-43.99	346.68	-0.48	-44.47
COC[C@H](NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017195398	0	35	-1.0	-43.93	331.58	2.24	-41.69
COC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017195399	0	39	-1.0	-46.34	356.92	0.75	-45.59
COC[C@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017195400	0	40	-1.0	-49.33	367.08	3.24	-46.09
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300017195401	0	39	-1.0	-47.31	334.91	1.88	-45.43
COC[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300017195402	0	32	-1.0	-40.68	307.02	2.78	-37.90
COC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017195403	0	37	-1.0	-44.43	324.66	3.44	-40.99
COC[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017195404	0	37	-1.0	-56.78	330.32	2.63	-54.15
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195405	0	45	-1.0	-56.54	404.56	0.10	-56.44
COC[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017195406	0	35	-1.0	-66.00	311.14	-2.20	-68.20
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017195407	0	39	-1.0	-48.05	348.35	2.34	-45.71
COC[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017195408	0	34	-1.0	-46.75	316.38	1.59	-45.16
COC[C@H](NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017195409	0	33	-1.0	-46.37	303.74	0.96	-45.41
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C(C)=C1	REAL300017195410	0	39	-1.0	-45.69	330.53	2.45	-43.24
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195411	0	37	-1.0	-53.63	344.48	-2.39	-56.02
COC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300017195412	0	38	-1.0	-55.73	339.33	3.23	-52.50
COC[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017195413	0	33	-1.0	-46.11	287.25	1.42	-44.69
COC[C@H](NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300017195414	0	33	-1.0	-46.80	308.30	2.44	-44.36
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195415	0	41	-1.0	-46.24	366.24	3.80	-42.44
COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300017195416	0	35	-1.0	-47.57	329.53	1.28	-46.29
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195417	0	39	-1.0	-50.95	344.78	1.12	-49.83
COC[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017195418	0	35	-1.0	-45.32	329.16	3.09	-42.23
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195419	0	40	-1.0	-42.50	332.31	3.27	-39.23
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017195420	0	28	-1.0	-50.66	293.53	0.50	-50.16
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017195421	0	35	-1.0	-50.08	310.05	1.04	-49.04
COC[C@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300017195422	0	34	-1.0	-47.95	299.09	1.71	-46.24
COC[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017195423	0	41	-1.0	-49.95	361.79	3.40	-46.55
COC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017195424	0	29	-1.0	-44.05	281.24	1.68	-42.37
COC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017195425	0	35	-1.0	-43.73	320.61	2.91	-40.82
COC[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017195426	0	35	-1.0	-48.34	327.33	2.56	-45.78
COC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300017195427	0	37	-1.0	-49.07	332.51	1.12	-47.95
COC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017195428	0	32	-1.0	-44.31	314.06	2.70	-41.61
COC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300017195429	0	33	-1.0	-49.71	307.86	-1.61	-51.32
COC[C@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017195430	0	38	-1.0	-46.83	349.65	4.26	-42.57
COCC1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195431	0	36	-1.0	-47.05	323.17	1.14	-45.91
COC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017195432	0	31	-1.0	-42.35	313.30	2.80	-39.55
COC[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300017195433	0	38	-1.0	-47.87	359.92	2.56	-45.31
COC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017195434	0	35	-1.0	-47.92	317.84	2.97	-44.95
COC[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017195435	0	32	-1.0	-46.72	300.84	2.49	-44.23
COC[C@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017195436	0	41	-1.0	-62.63	364.71	-0.08	-62.71
COC[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017195437	0	36	-1.0	-43.01	336.43	1.89	-41.12
COC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017195438	0	29	-1.0	-54.63	302.68	2.62	-52.01
COC[C@H](NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300017195439	0	37	-1.0	-44.12	328.25	1.51	-42.61
COC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017195440	0	37	-1.0	-44.86	337.78	-1.17	-46.03
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CC=C1F	REAL300017195476	0	38	-1.0	-47.19	349.29	3.03	-44.16
COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017195477	0	37	-1.0	-50.13	323.31	1.99	-48.14
COC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017195478	0	29	-1.0	-55.56	288.08	2.02	-53.54
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195479	0	48	-1.0	-56.47	394.64	5.23	-51.24
COC[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017195480	0	32	-1.0	-48.45	316.45	2.99	-45.46
COC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017195481	0	30	-1.0	-53.25	302.13	2.40	-50.85
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300017195482	0	36	-1.0	-55.38	329.84	0.61	-54.77
COC[C@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017195483	0	37	-1.0	-47.98	325.01	2.02	-45.96
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017195484	0	33	-1.0	-42.43	321.49	1.73	-40.70
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195485	0	41	-1.0	-43.64	318.88	4.34	-39.30
COC[C@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300017195486	0	41	-1.0	-44.75	352.54	0.30	-44.45
COC[C@H](NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300017195487	0	32	-1.0	-47.48	313.47	1.07	-46.41
COC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017195488	0	38	-1.0	-47.31	350.49	3.91	-43.40
COC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017195489	0	40	-1.0	-46.20	371.60	4.76	-41.44
COC[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017195490	0	35	-1.0	-51.16	334.53	2.09	-49.07
COC[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017195491	0	35	-1.0	-47.65	351.25	2.61	-45.04
COC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300017195492	0	38	-1.0	-48.36	326.09	2.55	-45.81
COC[C@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017195493	0	31	-1.0	-42.29	317.37	2.73	-39.56
COC[C@H](NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300017195494	0	33	-1.0	-44.94	322.48	2.06	-42.88
COC[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300017195495	0	41	-1.0	-50.60	346.94	2.04	-48.56
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])CC1	REAL300017195496	0	43	-1.0	-63.07	362.40	1.32	-61.75
COC[C@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300017195497	0	38	-1.0	-51.41	342.59	0.45	-50.96
COC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017195498	0	28	-1.0	-41.37	294.94	0.52	-40.85
COC[C@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300017195499	0	32	-1.0	-46.49	293.90	0.09	-46.40
COC[C@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017195500	0	37	-1.0	-47.78	319.89	2.02	-45.76
COC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300017195501	0	33	-1.0	-58.58	311.15	1.26	-57.32
COC[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300017195502	0	38	-1.0	-53.22	348.04	4.40	-48.82
COC[C@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300017195503	0	38	-1.0	-48.72	343.15	2.84	-45.88
COC[C@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300017195504	0	39	-1.0	-50.34	349.83	3.22	-47.12
COC[C@H](NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017195505	0	47	-1.0	-52.86	402.71	3.39	-49.47
COC[C@H](NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017195506	0	47	-1.0	-61.65	407.77	3.48	-58.17
COC[C@H](NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017195507	0	44	-1.0	-46.59	384.73	2.50	-44.09
COC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300017195508	0	31	-1.0	-43.31	307.40	1.79	-41.52
COC[C@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017195509	0	40	-1.0	-63.83	347.28	2.47	-61.36
COC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017195510	0	29	-1.0	-46.60	299.90	2.57	-44.03
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017195511	0	29	-1.0	-42.89	304.23	2.49	-40.40
COC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300017195512	0	39	-1.0	-49.84	330.62	3.21	-46.63
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300017195513	0	35	-1.0	-48.39	327.41	2.11	-46.28
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300017195514	0	33	-1.0	-42.90	294.94	2.02	-40.88
COC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1C)C(=O)[O-]	REAL300017195515	0	36	-1.0	-46.61	309.87	1.55	-45.06
COC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017195516	0	30	-1.0	-41.32	306.71	2.29	-39.03
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300017195517	0	36	-1.0	-44.30	325.52	1.96	-42.34
COC[C@H](NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300017195518	0	35	-1.0	-39.06	333.63	1.84	-37.22
COC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1)C(=O)[O-]	REAL300017195519	0	36	-1.0	-48.92	329.28	0.43	-48.49
COC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017195520	0	37	-1.0	-46.51	339.48	1.21	-45.30
COC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017195521	0	33	-1.0	-48.02	313.58	1.06	-46.96
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017195522	0	32	-1.0	-41.81	312.43	2.48	-39.33
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1C	REAL300017195523	0	40	-1.0	-46.75	359.46	-1.49	-48.24
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CC=C2S1	REAL300017195524	0	41	-1.0	-47.71	382.73	4.46	-43.25
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300017195525	0	33	-1.0	-46.95	314.54	1.43	-45.52
COC[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017195526	0	34	-1.0	-57.21	322.97	-2.99	-60.20
COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300017195527	0	35	-1.0	-43.71	301.83	0.65	-43.06
COC[C@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300017195528	0	35	-1.0	-43.78	329.29	2.42	-41.36
COC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300017195529	0	35	-1.0	-52.57	303.55	2.50	-50.07
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017195530	0	29	-1.0	-52.16	298.11	2.51	-49.65
COC[C@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300017195531	0	35	-1.0	-43.48	300.67	3.04	-40.44
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017195532	0	29	-1.0	-42.07	299.83	2.66	-39.41
COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300017195533	0	39	-1.0	-45.46	328.85	-1.27	-46.73
COC[C@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017195534	0	30	-1.0	-49.16	277.70	-0.18	-49.34
COC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017195535	0	29	-1.0	-48.51	282.48	1.74	-46.77
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300017195536	0	39	-1.0	-48.65	349.93	2.16	-46.49
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017195537	0	33	-1.0	-48.90	319.11	-1.28	-50.18
CCOC1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195538	0	36	-1.0	-47.72	319.21	1.66	-46.06
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300017195539	0	40	-1.0	-52.36	345.07	2.64	-49.72
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300017195540	0	33	-1.0	-41.18	324.52	2.63	-38.55
COC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300017195580	0	30	-1.0	-52.70	302.09	2.09	-50.61
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017195581	0	43	-1.0	-55.81	370.02	1.21	-54.60
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017195582	0	37	-1.0	-47.07	341.87	2.54	-44.53
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017195583	0	34	-1.0	-43.42	314.99	2.72	-40.70
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017195584	0	43	-1.0	-43.74	382.99	4.03	-39.71
COC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300017195585	0	32	-1.0	-46.63	306.49	2.79	-43.84
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017195586	0	32	-1.0	-48.75	307.75	0.18	-48.57
COC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300017195587	0	40	-1.0	-56.40	355.84	2.19	-54.21
COC[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300017195588	0	31	-1.0	-49.02	300.10	0.90	-48.12
COC[C@H](NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300017195589	0	39	-1.0	-51.51	344.43	2.05	-49.46
COC[C@H](NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017195590	0	39	-1.0	-60.51	342.97	1.21	-59.30
COC[C@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300017195591	0	34	-1.0	-48.68	310.80	1.38	-47.30
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2)C(=O)[O-]	REAL300017195592	0	35	-1.0	-49.00	314.86	-0.98	-49.98
COC[C@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300017195593	0	41	-1.0	-50.59	342.32	1.97	-48.62
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300017195594	0	31	-1.0	-44.77	302.82	0.66	-44.11
COC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300017195595	0	32	-1.0	-57.07	303.09	2.62	-54.45
COC[C@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300017195596	0	37	-1.0	-53.47	321.30	1.95	-51.52
COC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017195597	0	31	-1.0	-44.26	298.75	0.63	-43.63
COC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300017195598	0	35	-1.0	-46.64	319.49	0.48	-46.16
COC[C@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017195599	0	28	-1.0	-44.01	289.03	1.20	-42.81
COC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017195600	0	38	-1.0	-47.04	341.09	3.07	-43.97
COC[C@H](NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300017195601	0	37	-1.0	-50.15	326.84	0.04	-50.11
COC[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300017195602	0	30	-1.0	-57.54	302.45	2.35	-55.19
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300017195603	0	35	-1.0	-54.55	316.13	2.79	-51.76
COC[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017195604	0	37	-1.0	-52.74	314.64	3.01	-49.73
CCC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1CC	REAL300017195605	0	41	-1.0	-48.12	345.17	3.98	-44.14
COC[C@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300017195606	0	37	-1.0	-42.81	323.17	3.67	-39.14
COC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300017195607	0	32	-1.0	-57.23	300.24	2.53	-54.70
COC[C@H](NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017195608	0	35	-1.0	-45.40	323.55	0.88	-44.52
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300017195609	0	30	-1.0	-42.92	290.69	-0.73	-43.65
COC[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300017195610	0	35	-1.0	-51.27	311.54	3.26	-48.01
COC[C@H](NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300017195611	0	31	-1.0	-50.31	300.47	0.28	-50.03
COC[C@H](NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017195612	1	31	-1.0	-50.01	302.91	-0.23	-50.24
COC[C@H](NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300017195613	0	35	-1.0	-44.72	315.14	2.75	-41.97
COC[C@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300017195614	0	37	-1.0	-57.71	325.78	-0.15	-57.86
COC[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-]	REAL300017195615	0	40	-1.0	-46.82	331.81	-0.48	-47.30
COC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017195616	0	36	-1.0	-49.65	327.36	1.50	-48.15
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300017195617	0	40	-1.0	-46.45	350.72	3.25	-43.20
COC[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017195618	0	32	-1.0	-46.53	312.57	2.64	-43.89
COC[C@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017195619	0	32	-1.0	-42.64	313.03	2.66	-39.98
COC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017195620	0	29	-1.0	-47.12	283.56	2.22	-44.90
COC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300017195621	0	32	-1.0	-44.66	308.95	-0.61	-45.27
COC[C@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300017195622	0	33	-1.0	-47.61	316.68	2.51	-45.10
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300017195623	0	34	-1.0	-45.74	316.93	0.24	-45.50
COC[C@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017195624	0	28	-1.0	-46.42	283.68	0.73	-45.69
COCC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195625	0	36	-1.0	-48.25	321.27	1.12	-47.13
COC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300017195626	0	34	-1.0	-42.39	298.91	1.91	-40.48
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017195627	0	35	-1.0	-45.60	339.62	2.59	-43.01
COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C(=O)[O-]	REAL300017195628	0	32	-1.0	-56.04	312.90	-0.50	-56.54
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=N1	REAL300017195629	0	35	-1.0	-46.71	317.14	-0.96	-47.67
COC[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017195630	0	38	-1.0	-56.27	351.23	-0.40	-56.67
COC[C@H](NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017195631	0	36	-1.0	-50.87	329.87	0.44	-50.43
COC[C@H](NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017195632	0	43	-1.0	-60.15	359.15	3.03	-57.12
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300017195633	0	32	-1.0	-46.51	276.53	-0.20	-46.71
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300017195634	0	35	-1.0	-41.67	319.17	3.25	-38.42
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195635	0	46	-1.0	-51.84	402.99	1.11	-50.73
COC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300017195636	0	39	-1.0	-49.27	338.92	-0.98	-50.25
COC[C@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300017195637	0	46	-1.0	-50.23	379.65	3.36	-46.87
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017195638	0	38	-1.0	-46.28	351.12	2.87	-43.41
COC[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300017195639	0	38	-1.0	-56.49	341.61	3.92	-52.57
COC[C@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300017195640	0	32	-1.0	-48.43	305.26	2.74	-45.69
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017195641	0	32	-1.0	-42.74	304.15	3.31	-39.43
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195642	0	43	-1.0	-53.86	379.40	-0.37	-54.23
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195643	0	42	-1.0	-46.33	354.72	3.08	-43.25
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CC=C1C	REAL300017195644	0	41	-1.0	-45.68	358.89	3.50	-42.18
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195645	0	41	-1.0	-49.65	366.93	3.78	-45.87
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1OC	REAL300017195646	0	40	-1.0	-52.64	362.54	1.23	-51.41
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C(F)C=C1C	REAL300017195647	0	41	-1.0	-45.48	352.56	3.19	-42.29
COC[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017195648	0	35	-1.0	-43.74	325.67	3.34	-40.40
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195649	0	38	-1.0	-46.78	336.54	2.64	-44.14
COC[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017195650	0	39	-1.0	-49.25	342.30	4.83	-44.42
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195651	0	43	-1.0	-50.15	385.34	-0.81	-50.96
COC[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017195652	0	32	-1.0	-46.44	304.05	2.62	-43.82
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CN1C	REAL300017195653	0	41	-1.0	-47.96	368.20	2.60	-45.36
COC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017195654	0	33	-1.0	-46.43	313.58	2.27	-44.16
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017195655	0	32	-1.0	-47.32	300.29	2.28	-45.04
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300017195656	0	31	-1.0	-44.10	291.37	0.82	-43.28
COC[C@H](NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017195657	0	32	-1.0	-54.28	304.13	1.31	-52.97
COC[C@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017195658	0	30	-1.0	-42.39	291.24	0.30	-42.09
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195659	0	42	-1.0	-55.56	361.82	2.30	-53.26
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300017195660	0	35	-1.0	-50.22	315.76	1.74	-48.48
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300017195661	0	40	-1.0	-53.23	350.27	0.74	-52.49
COC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300017195662	0	44	-1.0	-46.56	380.78	4.26	-42.30
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195663	0	41	-1.0	-53.97	369.85	0.61	-53.36
COC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-]	REAL300017195664	0	41	-1.0	-44.88	339.46	2.46	-42.42
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195665	0	36	-1.0	-44.05	339.66	1.67	-42.38
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017195666	0	35	-1.0	-42.52	320.61	2.90	-39.62
COC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300017195667	0	40	-1.0	-45.85	373.52	4.78	-41.07
COC[C@H](NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300017195668	0	38	-1.0	-49.94	345.05	2.85	-47.09
COC[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300017195669	0	35	-1.0	-46.19	327.08	3.31	-42.88
COC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	REAL300017195670	0	38	-1.0	-45.98	329.53	1.78	-44.20
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300017195671	0	29	-1.0	-41.37	298.76	1.60	-39.77
COC[C@H](NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300017195672	0	32	-1.0	-43.86	311.54	3.03	-40.83
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195673	0	42	-1.0	-48.65	377.95	1.78	-46.87
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195674	0	45	-1.0	-48.52	399.81	2.71	-45.81
COC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCCCC1)C(=O)[O-]	REAL300017195675	0	44	-1.0	-45.77	353.59	2.89	-42.88
COC[C@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017195676	0	37	-1.0	-50.43	337.69	2.42	-48.01
COC[C@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195677	1	31	-1.0	-52.63	289.41	0.18	-52.45
COC[C@H](NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300017195678	0	42	-1.0	-54.70	367.92	5.26	-49.44
COC[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017195679	0	32	-1.0	-45.35	318.99	3.06	-42.29
COC[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300017195680	0	32	-1.0	-45.91	309.86	2.65	-43.26
COC[C@H](NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300017195681	0	33	-1.0	-49.47	314.66	1.62	-47.85
COC[C@H](NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300017195682	0	39	-1.0	-42.59	339.44	3.57	-39.02
COC[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017195683	0	33	-1.0	-47.81	314.25	3.03	-44.78
COC[C@H](NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300017195684	0	38	-1.0	-43.61	330.44	3.61	-40.00
COC[C@H](NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300017195686	0	33	-1.0	-46.77	305.23	-3.07	-49.84
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195690	0	38	-1.0	-44.43	317.17	3.84	-40.59
COC[C@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300017195691	0	38	-1.0	-49.06	325.98	2.05	-47.01
COC[C@H](NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300017195692	0	29	-1.0	-45.25	278.41	1.49	-43.76
COC[C@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017195693	0	35	-1.0	-45.11	318.34	2.95	-42.16
COC[C@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017195694	0	45	-1.0	-49.60	379.58	4.19	-45.41
COC[C@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300017195695	0	34	-1.0	-52.20	304.12	1.94	-50.26
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300017195696	0	49	-1.0	-59.67	393.56	3.83	-55.84
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300017195697	0	36	-1.0	-53.31	329.52	1.61	-51.70
COC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300017195698	0	43	-1.0	-45.62	363.42	1.51	-44.11
COC[C@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300017195699	0	44	-1.0	-60.42	376.88	4.05	-56.37
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C21	REAL300017195700	0	43	-1.0	-63.73	368.92	3.36	-60.37
COC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300017195701	0	44	-1.0	-48.80	397.02	5.28	-43.52
COC[C@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300017195702	0	36	-1.0	-49.69	317.76	1.12	-48.57
COC[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300017195703	0	36	-1.0	-47.85	313.33	1.40	-46.45
COC[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300017195704	0	39	-1.0	-46.69	334.99	1.93	-44.76
COC[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300017195712	0	35	-1.0	-48.93	334.70	2.35	-46.58
COC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300017195713	0	35	-1.0	-46.77	318.58	-1.32	-48.09
COC[C@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017195714	1	26	-1.0	-46.57	268.76	0.16	-46.41
COC[C@H](NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300017195715	0	36	-1.0	-50.09	307.39	1.36	-48.73
COC[C@H](NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1)C(=O)[O-]	REAL300017195716	0	33	-1.0	-44.14	313.73	0.98	-43.16
COC[C@H](NS(=O)(=O)C1=CC(F)=C(OC)C=C1F)C(=O)[O-]	REAL300017195717	0	33	-1.0	-44.39	295.63	0.43	-43.96
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1C(C)C	REAL300017195718	0	54	-1.0	-46.36	440.66	6.00	-40.36
COC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300017195719	0	45	-1.0	-46.62	366.61	3.43	-43.19
COC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300017195720	0	39	-1.0	-45.76	340.00	2.85	-42.91
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1C(C)C	REAL300017195721	0	52	-1.0	-50.27	431.65	3.86	-46.41
COC[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300017195722	0	37	-1.0	-48.20	306.28	1.87	-46.33
COC[C@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017195723	0	37	-1.0	-46.37	336.54	1.11	-45.26
COC[C@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300017195724	0	37	-1.0	-46.69	336.31	3.63	-43.06
COC[C@H](NS(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300017195725	0	33	-1.0	-47.08	302.24	2.05	-45.03
COC[C@H](NS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300017195726	0	32	-1.0	-44.45	309.55	2.75	-41.70
COC[C@H](NS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br)C(=O)[O-]	REAL300017195727	0	32	-1.0	-45.37	313.02	3.45	-41.92
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300017195728	0	46	-1.0	-59.76	374.84	3.43	-56.33
COC[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300017195729	0	35	-1.0	-50.38	318.32	1.94	-48.44
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C)C(=O)[O-]	REAL300017195730	0	43	-1.0	-46.38	363.33	2.87	-43.51
COC[C@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300017195731	0	29	-1.0	-45.06	290.06	-0.46	-45.52
COC[C@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017195732	0	31	-1.0	-43.21	302.00	0.58	-42.63
COC[C@H](NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300017195733	0	34	-1.0	-60.11	308.47	1.02	-59.09
COC[C@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300017195734	0	33	-1.0	-48.13	308.40	1.48	-46.65
COC[C@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300017195735	0	30	-1.0	-42.79	281.07	0.18	-42.61
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300017195736	0	32	-1.0	-49.40	306.70	2.88	-46.52
COC[C@H](NS(=O)(=O)C1=CNC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300017195737	0	33	-1.0	-46.81	308.45	1.48	-45.33
COC[C@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300017195738	0	32	-1.0	-55.69	309.82	1.04	-54.65
COC[C@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300017195739	0	36	-1.0	-49.06	318.59	1.18	-47.88
COC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300017195740	0	38	-1.0	-45.92	320.62	3.68	-42.24
COC[C@H](NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300017195741	0	37	-1.0	-51.75	324.08	1.24	-50.51
COC[C@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300017195742	0	38	-1.0	-59.50	336.43	-1.35	-60.85
COC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300017195743	0	30	-1.0	-43.18	308.63	2.31	-40.87
COC[C@H](NS(=O)(=O)C1=C(F)C=CC(OC)=C1OC)C(=O)[O-]	REAL300017195744	0	37	-1.0	-52.92	326.61	1.74	-51.18
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300017195745	1	32	-1.0	-45.88	326.50	0.81	-45.07
COC[C@H](NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300017195746	0	26	-1.0	-42.87	288.26	1.61	-41.26
COC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300017195747	0	42	-1.0	-49.59	353.04	2.27	-47.32
COC[C@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300017195748	0	33	-1.0	-47.12	317.09	3.31	-43.81
COC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300017195750	0	36	-1.0	-50.20	323.70	1.25	-48.95
COC[C@H](NC(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017195751	0	31	-1.0	-55.83	300.81	5.23	-50.60
COC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300017195752	0	33	-1.0	-49.15	307.36	1.00	-48.15
COC[C@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300017195753	0	33	-1.0	-49.32	308.06	1.44	-47.88
COC[C@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017195754	0	32	-1.0	-49.95	295.28	0.61	-49.34
COC[C@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300017195755	0	34	-1.0	-58.96	299.61	-0.18	-59.14
COC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300017195757	0	35	-1.0	-43.76	320.49	3.47	-40.29
COC[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300017195758	0	35	-1.0	-43.62	335.98	2.54	-41.08
COC[C@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300017195759	0	32	-1.0	-48.40	302.48	1.74	-46.66
COC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300017195760	0	39	-1.0	-49.49	338.49	1.75	-47.74
COC[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300017195761	0	47	-1.0	-45.28	374.70	5.21	-40.07
COC[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300017195762	0	35	-1.0	-43.30	339.06	3.31	-39.99
COC[C@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300017195763	0	39	-1.0	-49.80	342.08	2.06	-47.74
COC[C@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300017195764	0	33	-1.0	-45.30	293.61	2.15	-43.15
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300017195765	0	40	-1.0	-42.45	343.82	4.29	-38.16
COC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300017195766	0	42	-1.0	-53.27	357.92	-0.18	-53.45
COC[C@H](NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017195767	0	38	-1.0	-60.08	332.62	2.64	-57.44
CCCC1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195768	0	38	-1.0	-46.53	332.49	3.63	-42.90
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=NN1C)C(=O)[O-]	REAL300017195769	0	35	-1.0	-48.97	324.14	-0.22	-49.19
COC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300017195770	0	30	-1.0	-48.00	293.21	1.73	-46.27
COC[C@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300017195771	0	36	-1.0	-48.96	310.49	0.92	-48.04
COC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017195772	0	33	-1.0	-40.99	324.54	2.76	-38.23
COC[C@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1)C(=O)[O-]	REAL300017195773	0	41	-1.0	-49.09	368.78	4.33	-44.76
COC[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300017195774	0	38	-1.0	-47.69	357.12	4.01	-43.68
COC[C@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300017195775	0	38	-1.0	-46.38	311.60	1.30	-45.08
COC[C@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300017195776	0	38	-1.0	-48.95	332.59	1.13	-47.82
COC[C@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300017195777	0	36	-1.0	-47.48	316.49	0.44	-47.04
COC[C@H](NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017195778	0	34	-1.0	-43.75	319.02	1.23	-42.52
COC[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017195779	0	32	-1.0	-41.88	313.57	2.49	-39.39
COC[C@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300017195780	0	29	-1.0	-43.36	283.47	1.76	-41.60
COC[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017195781	0	29	-1.0	-41.23	299.60	1.54	-39.69
COC[C@H](NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300017195782	0	34	-1.0	-44.85	297.11	0.66	-44.19
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017195783	0	32	-1.0	-41.55	320.00	2.84	-38.71
COC[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300017195784	0	32	-1.0	-46.63	284.63	2.59	-44.04
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195785	0	40	-1.0	-51.63	352.68	3.46	-48.17
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300017195786	0	40	-1.0	-46.17	329.94	4.27	-41.90
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300017195787	0	39	-1.0	-54.10	348.34	3.10	-51.00
COC[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300017195788	0	35	-1.0	-43.91	324.73	2.32	-41.59
COC[C@H](NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017195789	0	35	-1.0	-47.04	309.49	1.87	-45.17
COC[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300017195790	0	34	-1.0	-41.59	307.92	1.81	-39.78
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300017195791	0	39	-1.0	-45.05	364.29	2.19	-42.86
COC[C@H](NS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1)C(=O)[O-]	REAL300017195792	0	38	-1.0	-58.95	341.98	1.41	-57.54
COC[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300017195793	0	29	-1.0	-43.69	282.44	1.67	-42.02
COC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017195794	0	32	-1.0	-42.79	293.84	2.87	-39.92
COC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)S1)C(=O)[O-]	REAL300017195795	0	35	-1.0	-44.79	332.84	1.76	-43.03
COC[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300017195796	0	36	-1.0	-48.99	309.16	3.17	-45.82
COC[C@H](NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300017195797	0	31	-1.0	-42.82	320.58	1.65	-41.17
COC[C@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300017195798	0	39	-1.0	-46.79	332.69	2.05	-44.74
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195799	0	38	-1.0	-45.33	319.47	1.08	-44.25
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300017195800	0	38	-1.0	-51.71	339.34	-1.07	-52.78
COC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300017195801	0	32	-1.0	-54.69	320.12	-2.10	-56.79
COC[C@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300017195802	0	43	-1.0	-43.27	332.36	2.22	-41.05
COC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1OC)C(=O)[O-]	REAL300017195803	0	33	-1.0	-40.67	292.87	1.35	-39.32
COC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300017195804	0	43	-1.0	-48.53	361.98	0.46	-48.07
COC[C@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300017195805	0	35	-1.0	-47.18	321.07	2.97	-44.21
COC[C@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300017195806	0	33	-1.0	-47.97	307.11	1.01	-46.96
COC[C@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017195807	0	44	-1.0	-44.18	363.48	4.10	-40.08
COC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300017195808	0	40	-1.0	-55.81	339.30	3.78	-52.03
COC[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300017195809	0	37	-1.0	-41.82	323.62	1.54	-40.28
CCOCC1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195810	0	39	-1.0	-47.04	345.02	2.10	-44.94
COC[C@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300017195811	0	32	-1.0	-47.41	325.47	3.43	-43.98
COC[C@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300017195814	0	39	-1.0	-50.27	347.53	2.63	-47.64
COC[C@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300017195815	0	42	-1.0	-50.00	354.49	2.37	-47.63
COC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017195816	0	40	-1.0	-47.78	356.79	4.27	-43.51
COC[C@H](NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300017195817	0	35	-1.0	-44.59	325.56	3.18	-41.41
CCN1N=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1Cl	REAL300017195818	0	32	-1.0	-43.72	293.37	-0.23	-43.95
COC[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017195819	0	33	-1.0	-47.68	318.27	3.12	-44.56
COC[C@H](NS(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1)C(=O)[O-]	REAL300017195820	0	35	-1.0	-45.38	353.20	2.65	-42.73
COC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017195822	0	31	-1.0	-48.90	295.52	0.20	-48.70
COC[C@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017195823	0	34	-1.0	-51.59	324.56	2.60	-48.99
COC[C@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017195824	0	34	-1.0	-49.44	316.21	2.26	-47.18
COC[C@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300017195825	0	38	-1.0	-50.99	326.48	4.31	-46.68
COC[C@H](NS(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300017195826	0	33	-1.0	-50.77	319.52	2.41	-48.36
COC[C@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300017195827	0	36	-1.0	-49.93	326.04	1.78	-48.15
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300017195828	0	43	-1.0	-45.23	370.33	2.87	-42.36
COC[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017195829	0	29	-1.0	-45.82	282.04	1.63	-44.19
COC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C(=O)[O-]	REAL300017195830	0	35	-1.0	-61.83	331.72	-2.27	-64.10
COC[C@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300017195831	0	39	-1.0	-52.87	339.08	2.74	-50.13
COC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300017195832	0	35	-1.0	-46.82	329.84	-0.35	-47.17
COC[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017195833	0	33	-1.0	-46.26	306.18	2.69	-43.57
COC[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300017195834	0	33	-1.0	-45.12	321.06	3.23	-41.89
COC[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300017195835	0	33	-1.0	-46.00	321.06	3.24	-42.76
COC[C@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300017195836	0	33	-1.0	-46.25	310.01	2.72	-43.53
COC[C@H](NS(=O)(=O)N1CCCCC1C(=O)OC)C(=O)[O-]	REAL300017195837	0	40	-1.0	-51.81	328.00	2.01	-49.80
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300017195838	0	51	-1.0	-48.51	395.89	5.58	-42.93
COC[C@H](NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017195839	0	32	-1.0	-46.07	313.55	2.23	-43.84
COC[C@H](NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300017195840	0	40	-1.0	-47.81	338.50	2.35	-45.46
COC[C@H](NS(=O)(=O)C1=CC=C(C=CC(=O)OC)C=C1)C(=O)[O-]	REAL300017195841	0	39	-1.0	-47.67	354.78	3.31	-44.36
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=NN1	REAL300017195842	0	35	-1.0	-46.97	322.94	-0.54	-47.51
COC[C@H](NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300017195843	0	34	-1.0	-46.51	317.47	-0.75	-47.26
COC[C@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300017195844	0	41	-1.0	-47.67	326.02	1.84	-45.83
COC[C@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300017195845	0	40	-1.0	-44.47	348.04	3.35	-41.12
COC[C@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300017195846	0	40	-1.0	-60.07	342.48	8.28	-51.79
COC[C@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017195847	0	46	-1.0	-56.54	363.76	7.75	-48.79
COC[C@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300017195848	0	47	-1.0	-57.78	368.53	4.27	-53.51
COC[C@H](NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)C(=O)[O-]	REAL300017195849	0	48	-1.0	-57.34	382.40	4.79	-52.55
COC[C@H](NS(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300017195850	0	33	-1.0	-46.40	316.44	2.62	-43.78
COC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300017195851	0	33	-1.0	-47.87	315.68	2.21	-45.66
COC[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300017195852	0	33	-1.0	-47.61	311.68	1.04	-46.57
COC[C@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300017195853	0	35	-1.0	-50.02	309.59	1.36	-48.66
COC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300017195854	0	36	-1.0	-52.76	321.81	3.19	-49.57
COC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300017195855	0	32	-1.0	-47.77	294.24	2.83	-44.94
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300017195856	0	38	-1.0	-44.25	345.06	1.87	-42.38
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017195857	0	26	-1.0	-40.38	293.18	1.51	-38.87
COC[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017195858	0	42	-1.0	-52.53	354.30	3.65	-48.88
COC[C@H](NS(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300017195859	0	46	-1.0	-46.84	386.53	3.32	-43.52
COC[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300017195860	0	32	-1.0	-48.29	321.76	2.77	-45.52
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300017195861	0	34	-1.0	-47.35	318.86	2.08	-45.27
COC[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OC)C(=O)[O-]	REAL300017195862	0	37	-1.0	-45.91	324.79	0.86	-45.05
COC[C@H](NS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300017195863	0	26	-1.0	-38.49	273.84	1.08	-37.41
COC[C@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017195864	0	40	-1.0	-50.93	358.53	4.33	-46.60
COC[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300017195865	0	35	-1.0	-48.87	300.27	3.25	-45.62
COC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300017195866	0	34	-1.0	-45.11	322.96	0.00	-45.11
COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300017195867	0	30	-1.0	-46.30	296.41	0.28	-46.02
COC[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1C)C(=O)[O-]	REAL300017195868	0	31	-1.0	-41.43	289.39	0.77	-40.66
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195869	0	40	-1.0	-48.06	351.19	3.05	-45.01
CCN1C=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C(C2CC2)=N1	REAL300017195870	0	39	-1.0	-50.54	345.17	2.11	-48.43
COC[C@H](NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300017195871	0	33	-1.0	-51.21	306.13	0.80	-50.41
COC[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300017195872	0	35	-1.0	-46.39	330.75	4.20	-42.19
COC[C@H](NS(=O)(=O)N1CCC(OC(C)=O)C1)C(=O)[O-]	REAL300017195873	0	37	-1.0	-45.89	327.04	0.66	-45.23
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017195874	0	39	-1.0	-47.22	359.02	5.35	-41.87
CCC1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=CC=C1Br	REAL300017195875	0	35	-1.0	-44.38	327.14	3.29	-41.09
COC[C@H](NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300017195876	0	42	-1.0	-47.43	352.96	2.57	-44.86
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195877	0	43	-1.0	-45.87	354.78	2.00	-43.87
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300017195878	0	35	-1.0	-57.07	326.94	4.25	-52.82
COC[C@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300017195879	0	37	-1.0	-50.04	316.72	-0.93	-50.97
COC[C@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300017195880	0	35	-1.0	-47.45	331.03	1.22	-46.23
COC[C@H](NS(=O)(=O)N1CCC(COC(C)=O)CC1)C(=O)[O-]	REAL300017195881	0	43	-1.0	-46.83	363.20	2.22	-44.61
COC[C@H](NS(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC)C(=O)[O-]	REAL300017195882	0	43	-1.0	-48.77	374.58	2.11	-46.66
COC[C@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300017195883	0	39	-1.0	-48.30	324.19	-1.25	-49.55
COC[C@H](NS(=O)(=O)C1=CC=C(OC)N=C1C)C(=O)[O-]	REAL300017195884	0	35	-1.0	-44.90	304.67	-1.21	-46.11
COC[C@H](NS(=O)(=O)C1=CC(C)=CN=C1OC)C(=O)[O-]	REAL300017195885	0	35	-1.0	-48.58	297.49	-0.50	-49.08
COC[C@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300017195886	0	44	-1.0	-47.83	370.00	1.80	-46.03
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300017195887	0	32	-1.0	-44.02	294.88	-0.96	-44.98
COC[C@H](NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300017195888	0	35	-1.0	-45.99	315.17	-1.15	-47.14
COC[C@H](NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300017195889	0	38	-1.0	-47.95	330.80	1.58	-46.37
COC[C@H](NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300017195890	0	38	-1.0	-49.15	332.17	1.08	-48.07
COC[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300017195891	0	28	-1.0	-44.77	295.44	-0.60	-45.37
COC[C@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017195892	0	33	-1.0	-43.84	330.97	3.54	-40.30
COC[C@H](NS(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300017195893	0	37	-1.0	-46.07	334.88	0.79	-45.28
COC[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195894	0	32	-1.0	-46.90	306.20	3.29	-43.61
COC[C@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300017195895	0	36	-1.0	-46.10	316.82	1.61	-44.49
COC[C@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300017195896	0	36	-1.0	-51.16	319.07	2.71	-48.45
COC[C@H](NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300017195897	0	34	-1.0	-51.54	302.03	1.79	-49.75
COC[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300017195898	0	38	-1.0	-47.54	331.11	1.17	-46.37
COC[C@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300017195899	0	36	-1.0	-46.47	326.06	3.60	-42.87
COC[C@H](NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300017195900	0	31	-1.0	-47.41	295.20	0.47	-46.94
COC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300017195901	0	43	-1.0	-48.22	377.69	4.98	-43.24
COC[C@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300017195902	0	36	-1.0	-49.78	327.69	3.63	-46.15
COC[C@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300017195903	0	33	-1.0	-47.89	303.15	1.33	-46.56
COC[C@H](NC(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300017195904	0	31	-1.0	-55.81	279.01	4.07	-51.74
COC[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300017195905	0	32	-1.0	-49.99	295.21	2.00	-47.99
COC[C@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300017195906	0	37	-1.0	-45.02	321.92	-2.88	-47.90
COC[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300017195908	0	36	-1.0	-45.23	320.92	3.70	-41.53
COC[C@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl)C(=O)[O-]	REAL300017195909	0	32	-1.0	-54.36	315.60	3.02	-51.34
COC[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300017195910	0	33	-1.0	-44.06	307.02	0.86	-43.20
COC[C@H](NS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017195911	0	36	-1.0	-51.23	326.34	2.14	-49.09
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300017195912	0	36	-1.0	-47.62	312.96	2.03	-45.59
COC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300017195913	0	35	-1.0	-42.82	315.17	-0.15	-42.97
COC[C@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300017195914	0	37	-1.0	-53.05	309.12	2.95	-50.10
COC[C@H](NC(=O)N1CC(OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017195915	0	41	-1.0	-57.50	351.37	4.84	-52.66
COC[C@H](NC(=O)N1CC(NC(=O)OC(C)(C)C)C1)C(=O)[O-]	REAL300017195916	0	44	-1.0	-58.22	362.30	1.54	-56.68
COC[C@H](NC(=O)N1CCC(COC(C)=O)CC1)C(=O)[O-]	REAL300017195917	0	42	-1.0	-60.43	342.90	5.10	-55.33
COC[C@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300017195918	0	32	-1.0	-41.60	299.71	1.14	-40.46
COC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300017195920	0	42	-1.0	-49.02	356.45	3.43	-45.59
COC[C@H](NS(=O)(=O)C1=C(C)SC(Cl)=C1)C(=O)[O-]	REAL300017195921	0	29	-1.0	-40.66	290.31	1.71	-38.95
COC[C@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300017195922	0	36	-1.0	-47.67	325.05	1.81	-45.86
COC[C@H](NS(=O)(=O)C1=C2CCCCN2N=C1)C(=O)[O-]	REAL300017195923	0	36	-1.0	-48.41	308.99	0.70	-47.71
CCN1C=C(S(=O)(=O)NCCC2COC(C)(C)O2)C=C1C(=O)[O-]	REAL300017195924	0	44	-1.0	-55.46	374.29	3.44	-52.02
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1COC(C)(C)O1	REAL300017195925	0	49	-1.0	-56.93	400.14	5.32	-51.61
CC1(C)OCC(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)O1	REAL300017195926	0	50	-1.0	-58.67	402.08	5.90	-52.77
CC1(C)OCC(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)O1	REAL300017195927	0	47	-1.0	-61.43	389.28	5.12	-56.31
CC1(C)OCC(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)O1	REAL300017195928	0	40	-1.0	-50.50	347.63	3.31	-47.19
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300017195929	0	40	-1.0	-53.11	358.78	3.62	-49.49
CC1(C)OCC(CCNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)O1	REAL300017195930	0	40	-1.0	-53.91	346.02	3.24	-50.67
CC1=CC=C(S(=O)(=O)NCCC2COC(C)(C)O2)C=C1C(=O)[O-]	REAL300017195931	0	43	-1.0	-56.76	366.36	3.88	-52.88
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)O1	REAL300017195932	0	40	-1.0	-51.19	346.34	3.21	-47.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2COC(C)(C)O2)=C1C	REAL300017195933	0	46	-1.0	-60.99	377.95	4.65	-56.34
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(CC(=O)[O-])S2)O1	REAL300017195934	0	40	-1.0	-49.94	360.86	3.17	-46.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1COC(C)(C)O1	REAL300017195935	0	43	-1.0	-57.70	360.90	4.14	-53.56
CC1(C)OCC(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)O1	REAL300017195936	0	37	-1.0	-51.14	339.21	2.27	-48.87
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1COC(C)(C)O1	REAL300017195937	0	46	-1.0	-59.48	377.77	5.03	-54.45
CN1C=C(S(=O)(=O)NCCC2COC(C)(C)O2)C=C1C(=O)[O-]	REAL300017195938	0	41	-1.0	-54.89	352.93	2.59	-52.30
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCCC2COC(C)(C)O2)=C1	REAL300017195939	0	40	-1.0	-50.72	355.49	2.89	-47.83
CC1=C(C(=O)[O-])C(S(=O)(=O)NCCC2COC(C)(C)O2)=C(C)O1	REAL300017195940	0	43	-1.0	-57.07	360.69	3.60	-53.47
CC1(C)OCC(CCNS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)O1	REAL300017195941	0	40	-1.0	-50.88	352.40	3.31	-47.57
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCC1COC(C)(C)O1	REAL300017195942	0	43	-1.0	-50.10	355.24	4.00	-46.10
CCC1=CC=C(S(=O)(=O)NCCC2COC(C)(C)O2)C=C1C(=O)[O-]	REAL300017195943	0	46	-1.0	-54.48	380.21	4.42	-50.06
CC1=CC(S(=O)(=O)NCCC2COC(C)(C)O2)=CC=C1C(=O)[O-]	REAL300017195944	0	43	-1.0	-50.62	362.36	3.75	-46.87
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)O1	REAL300017195945	0	43	-1.0	-49.59	376.47	4.02	-45.57
CC1=C(S(=O)(=O)NCCC2COC(C)(C)O2)C=C(C(=O)[O-])S1	REAL300017195946	0	40	-1.0	-58.27	354.99	3.20	-55.07
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1COC(C)(C)O1	REAL300017195947	0	43	-1.0	-51.97	366.04	4.17	-47.80
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)O1	REAL300017195948	0	47	-1.0	-48.46	402.82	1.79	-46.67
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCCC1COC(C)(C)O1	REAL300017195949	0	48	-1.0	-56.46	398.15	4.35	-52.11
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCCC1COC(C)(C)O1	REAL300017195950	0	47	-1.0	-53.29	388.97	3.83	-49.46
COC1=CC=C(S(=O)(=O)NCCC2COC(C)(C)O2)C=C1CC(=O)[O-]	REAL300017195951	0	47	-1.0	-55.66	396.74	3.36	-52.30
CC1=CC(C)=C(S(=O)(=O)NCCC2COC(C)(C)O2)C=C1C(=O)[O-]	REAL300017195952	0	46	-1.0	-57.53	377.85	4.57	-52.96
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1COC(C)(C)O1	REAL300017195953	0	44	-1.0	-59.46	370.57	2.08	-57.38
COC1=CC(S(=O)(=O)NCCC2COC(C)(C)O2)=CC(C(=O)[O-])=C1OC	REAL300017195954	0	48	-1.0	-57.28	404.79	3.02	-54.26
CCOC1=CC=C(S(=O)(=O)NCCC2COC(C)(C)O2)C=C1C(=O)[O-]	REAL300017195955	0	47	-1.0	-61.53	395.41	4.21	-57.32
CC1(C)OCC(CCNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)O1	REAL300017195956	0	37	-1.0	-54.54	338.01	2.24	-52.30
CC1=C(S(=O)(=O)NCCC2COC(C)(C)O2)C=C(C(=O)[O-])O1	REAL300017195957	0	40	-1.0	-56.75	350.77	2.34	-54.41
CC1(C)OCC(CCNS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)O1	REAL300017195958	0	46	-1.0	-57.88	388.19	3.02	-54.86
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)O1	REAL300017195959	0	44	-1.0	-51.11	393.46	4.03	-47.08
CC1=CC(S(=O)(=O)NCCC2COC(C)(C)O2)=CC=C1OCC(=O)[O-]	REAL300017195960	0	47	-1.0	-50.99	397.43	4.22	-46.77
CC1(C)OCC(CCNS(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)O1	REAL300017195961	0	40	-1.0	-48.74	374.19	4.06	-44.68
CC1(C)OCC(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)O1	REAL300017195962	0	40	-1.0	-46.29	363.05	3.76	-42.53
CC1=CC=C(S(=O)(=O)NCCC2COC(C)(C)O2)C(C)=C1C(=O)[O-]	REAL300017195963	0	46	-1.0	-55.85	380.22	4.64	-51.21
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1COC(C)(C)O1	REAL300017195964	0	43	-1.0	-52.49	360.97	4.12	-48.37
CC1(C)OCC(CCNS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)O1	REAL300017195965	0	40	-1.0	-49.57	352.46	3.31	-46.26
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)O1	REAL300017195966	0	40	-1.0	-47.80	347.93	3.26	-44.54
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300017195967	0	40	-1.0	-53.57	350.81	3.27	-50.30
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1COC(C)(C)O1	REAL300017195968	0	43	-1.0	-52.45	374.73	4.55	-47.90
CC1(C)OCC(CCNS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)O1	REAL300017195969	0	40	-1.0	-51.66	367.22	3.74	-47.92
CC1(C)OCC(CCNS(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)O1	REAL300017195970	0	40	-1.0	-48.69	364.87	3.65	-45.04
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2COC(C)(C)O2)=C1F	REAL300017195971	0	43	-1.0	-50.62	364.72	3.62	-47.00
CC1(C)OCC(CCNS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)O1	REAL300017195972	0	40	-1.0	-48.08	360.37	3.66	-44.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1COC(C)(C)O1	REAL300017195973	0	44	-1.0	-56.52	366.68	3.06	-53.46
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300017195974	0	41	-1.0	-56.38	355.07	1.28	-55.10
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)O1	REAL300017195975	0	44	-1.0	-53.17	377.81	4.50	-48.67
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)O1	REAL300017195976	0	46	-1.0	-50.59	389.92	4.80	-45.79
CC1(C)OCC(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)O1	REAL300017195977	0	40	-1.0	-50.41	344.24	3.00	-47.41
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)O1	REAL300017195978	0	43	-1.0	-51.54	368.52	3.99	-47.55
COC1=CC=C(S(=O)(=O)NCCC2COC(C)(C)O2)C=C1C(=O)[O-]	REAL300017195979	0	44	-1.0	-60.71	373.56	3.30	-57.41
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300017195980	0	44	-1.0	-50.81	377.43	3.49	-47.32
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)O1	REAL300017195981	0	44	-1.0	-52.95	383.65	3.55	-49.40
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)O1	REAL300017195982	0	40	-1.0	-48.10	344.54	2.97	-45.13
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300017195983	0	40	-1.0	-49.97	358.78	3.63	-46.34
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCCC2COC(C)(C)O2)=C1	REAL300017195984	0	43	-1.0	-57.23	364.20	3.60	-53.63
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)O1	REAL300017195985	0	48	-1.0	-51.41	410.09	4.62	-46.79
CC1(C)OCC(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)O1	REAL300017195986	0	40	-1.0	-45.26	350.78	3.05	-42.21
CC1=CC(S(=O)(=O)NCCC2COC(C)(C)O2)=CC(C(=O)[O-])=C1C	REAL300017195987	0	46	-1.0	-55.19	378.93	4.31	-50.88
CC1(C)OCC(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)O1	REAL300017195988	0	42	-1.0	-47.10	374.24	3.91	-43.19
COC1=CC(S(=O)(=O)NCCC2COC(C)(C)O2)=C(Cl)C=C1C(=O)[O-]	REAL300017195989	0	44	-1.0	-52.88	375.10	3.34	-49.54
CC1=CC(S(=O)(=O)NCCC2COC(C)(C)O2)=CC(C(=O)[O-])=C1F	REAL300017195990	0	43	-1.0	-57.61	370.89	3.90	-53.71
CC1=CC(F)=C(S(=O)(=O)NCCC2COC(C)(C)O2)C=C1C(=O)[O-]	REAL300017195991	0	43	-1.0	-49.99	360.31	3.54	-46.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2COC(C)(C)O2)=C1Cl	REAL300017195992	0	43	-1.0	-51.23	366.65	3.85	-47.38
CC1=CC(S(=O)(=O)NCCC2COC(C)(C)O2)=CC(C(=O)[O-])=C1Cl	REAL300017195993	0	43	-1.0	-54.24	377.27	4.21	-50.03
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCC1COC(C)(C)O1	REAL300017195994	0	43	-1.0	-47.41	372.75	4.39	-43.02
COC1=CC(Cl)=C(S(=O)(=O)NCCC2COC(C)(C)O2)C=C1C(=O)[O-]	REAL300017195995	0	44	-1.0	-55.94	374.92	3.37	-52.57
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300017195996	0	42	-1.0	-46.19	363.61	4.71	-41.48
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)O1	REAL300017195997	0	37	-1.0	-50.41	338.29	2.37	-48.04
CC1(C)OCC(CCNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)O1	REAL300017195998	0	43	-1.0	-53.65	368.19	4.02	-49.63
CC1(C)OCC(CCNS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)O1	REAL300017195999	0	42	-1.0	-62.93	372.85	4.32	-58.61
CC1=CC(C)=C(S(=O)(=O)NCCC2COC(C)(C)O2)C(C)=C1CC(=O)[O-]	REAL300017196000	0	52	-1.0	-54.66	406.98	5.88	-48.78
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017206769	0	33	-1.0	-57.79	292.98	6.02	-51.77
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017206770	0	33	-1.0	-54.48	319.33	6.76	-47.72
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017206771	0	33	-1.0	-48.92	304.55	6.11	-42.81
CC1=CC(Br)=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206772	0	33	-1.0	-55.29	306.57	6.53	-48.76
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206773	0	41	-1.0	-59.98	326.72	3.70	-56.28
CSC1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206774	0	34	-1.0	-62.77	294.36	5.97	-56.80
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206775	0	41	-1.0	-60.66	328.30	5.05	-55.61
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017206776	0	42	-1.0	-63.85	350.76	4.51	-59.34
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300017206777	0	36	-1.0	-55.47	339.80	3.29	-52.18
COC1=C(F)C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1[N+](=O)[O-]	REAL300017206778	0	36	-1.0	-48.49	322.85	6.00	-42.49
COC(=O)NC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1[N+](=O)[O-]	REAL300017206779	0	40	-1.0	-56.46	346.45	4.42	-52.04
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017206780	0	41	-1.0	-68.55	354.04	6.84	-61.71
COC(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(OC)=C1	REAL300017206781	0	40	-1.0	-55.87	342.66	5.61	-50.26
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206782	0	33	-1.0	-51.86	294.29	6.33	-45.53
CC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1[N+](=O)[O-]	REAL300017206783	0	38	-1.0	-64.54	314.10	7.01	-57.53
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017206784	0	38	-1.0	-62.13	323.39	6.43	-55.70
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017206785	0	36	-1.0	-66.38	301.81	1.51	-64.87
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=CC=C21	REAL300017206786	0	40	-1.0	-54.98	338.77	6.00	-48.98
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017206787	0	35	-1.0	-53.64	306.57	5.25	-48.39
COC1=CC(F)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(F)=C1	REAL300017206788	0	34	-1.0	-59.78	296.06	4.74	-55.04
CCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C)=C1	REAL300017206789	0	40	-1.0	-53.89	318.60	5.88	-48.01
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206790	0	38	-1.0	-54.39	331.66	1.19	-53.20
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206791	0	39	-1.0	-54.51	320.21	6.55	-47.96
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017206792	0	34	-1.0	-60.88	296.80	5.38	-55.50
CSC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300017206793	0	34	-1.0	-55.92	299.53	6.17	-49.75
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300017206794	0	42	-1.0	-56.74	357.43	7.55	-49.19
CCC(=O)NC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300017206795	0	40	-1.0	-65.03	331.26	4.71	-60.32
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017206796	0	36	-1.0	-59.50	324.60	6.84	-52.66
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206797	0	41	-1.0	-53.55	326.34	6.78	-46.77
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017206798	0	29	-1.0	-47.83	282.85	4.04	-43.79
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017206799	0	36	-1.0	-61.40	301.37	4.93	-56.47
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017206800	0	35	-1.0	-58.24	292.10	5.24	-53.00
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017206801	0	42	-1.0	-58.59	352.58	7.16	-51.43
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017206802	0	30	-1.0	-53.72	271.17	5.29	-48.43
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017206803	0	30	-1.0	-56.41	286.29	5.85	-50.56
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(F)(F)F	REAL300017206804	0	36	-1.0	-48.83	309.62	6.54	-42.29
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017206805	0	36	-1.0	-52.70	331.53	5.85	-46.85
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C12	REAL300017206806	0	38	-1.0	-57.78	325.93	4.91	-52.87
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017206807	0	33	-1.0	-59.64	312.14	6.48	-53.16
CC1=NOC2=NC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C12	REAL300017206808	0	34	-1.0	-45.64	294.79	2.00	-43.64
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017206809	0	39	-1.0	-59.85	340.88	8.01	-51.84
COCC1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206810	0	37	-1.0	-58.07	313.88	4.81	-53.26
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017206811	0	32	-1.0	-55.63	295.90	6.25	-49.38
COC(=O)C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C(C(=O)OC)S1	REAL300017206812	0	39	-1.0	-58.74	347.74	5.97	-52.77
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206813	0	36	-1.0	-55.20	302.02	6.12	-49.08
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017206814	0	33	-1.0	-55.94	299.12	6.26	-49.68
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017206815	0	42	-1.0	-66.69	355.91	3.66	-63.03
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017206816	0	37	-1.0	-55.46	331.54	5.62	-49.84
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017206817	0	30	-1.0	-55.62	289.72	6.14	-49.48
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=CN=C21	REAL300017206818	0	38	-1.0	-46.55	324.43	2.49	-44.06
CCOC(=O)C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1F	REAL300017206851	0	39	-1.0	-47.69	336.25	6.62	-41.07
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017206852	0	38	-1.0	-52.39	313.41	5.16	-47.23
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017206853	0	30	-1.0	-56.90	274.82	5.58	-51.32
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206854	0	49	-1.0	-69.63	387.89	9.03	-60.60
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017206855	0	33	-1.0	-53.29	306.67	6.65	-46.64
N#CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(Cl)=C1	REAL300017206856	0	31	-1.0	-48.87	289.48	5.81	-43.06
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Cl	REAL300017206857	0	37	-1.0	-55.80	335.51	4.62	-51.18
CC1CC2=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=CC=C2O1	REAL300017206858	0	38	-1.0	-54.57	311.92	5.63	-48.94
COC1=CC(Cl)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Cl	REAL300017206859	0	34	-1.0	-54.22	314.18	5.28	-48.94
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206860	0	42	-1.0	-59.59	311.69	8.32	-51.27
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206861	0	42	-1.0	-60.07	339.50	3.79	-56.28
COC(=O)C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CS1	REAL300017206862	0	33	-1.0	-54.35	310.94	4.94	-49.41
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206863	0	39	-1.0	-54.82	334.29	7.02	-47.80
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017206864	0	41	-1.0	-56.48	363.93	8.39	-48.09
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017206865	0	36	-1.0	-55.80	326.59	5.88	-49.92
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017206866	0	36	-1.0	-52.43	341.86	6.30	-46.13
COC(=O)C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1C	REAL300017206867	0	39	-1.0	-52.19	316.53	6.17	-46.02
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017206868	0	32	-1.0	-56.47	308.85	6.46	-50.01
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206869	0	34	-1.0	-52.53	319.45	5.34	-47.19
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206870	0	42	-1.0	-59.38	333.95	5.55	-53.83
CCOC(=O)N1CCC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300017206871	0	44	-1.0	-55.22	352.39	5.20	-50.02
CC1=NC(C2=CC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)=CO1	REAL300017206872	0	39	-1.0	-57.71	334.71	4.14	-53.57
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017206873	0	29	-1.0	-46.12	282.26	4.10	-42.02
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017206874	0	33	-1.0	-62.77	288.69	5.94	-56.83
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017206875	0	33	-1.0	-49.85	281.10	3.68	-46.17
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017206876	0	38	-1.0	-53.97	308.77	5.65	-48.32
COC1=CC=C(Cl)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206877	0	34	-1.0	-60.64	297.84	4.82	-55.82
COC(=O)C1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=CC=CC=C2S1	REAL300017206878	0	39	-1.0	-52.48	329.45	7.43	-45.05
COC(=O)CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300017206879	0	39	-1.0	-63.82	336.28	6.61	-57.21
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017206880	0	37	-1.0	-54.79	305.66	7.08	-47.71
CC1=CC=C(N2C=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=N2)C=C1	REAL300017206881	0	40	-1.0	-55.37	343.40	7.02	-48.35
O=C([O-])C12CC(C1)CN2S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017206882	0	48	-1.0	-63.40	399.03	7.28	-56.12
O=C([O-])C12CC(C1)CN2S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017206883	0	48	-1.0	-52.16	399.33	7.30	-44.86
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017206884	0	45	-1.0	-55.95	381.03	6.45	-49.50
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300017206885	0	32	-1.0	-61.84	299.83	5.58	-56.26
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C21	REAL300017206886	0	41	-1.0	-67.33	337.69	6.14	-61.19
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017206887	0	30	-1.0	-47.97	282.46	6.02	-41.95
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017206888	0	30	-1.0	-45.64	291.18	6.10	-39.54
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206889	0	40	-1.0	-58.20	318.60	6.86	-51.34
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1C#N	REAL300017206890	0	34	-1.0	-50.00	295.16	5.91	-44.09
COC(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1F	REAL300017206891	0	36	-1.0	-47.53	314.36	5.71	-41.82
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206892	0	34	-1.0	-62.15	303.75	5.63	-56.52
COC1=CC=C(C)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206893	0	37	-1.0	-60.62	296.20	4.87	-55.75
N#CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Br	REAL300017206894	0	31	-1.0	-50.46	295.55	5.92	-44.54
COC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Cl	REAL300017206895	0	37	-1.0	-56.95	312.77	5.51	-51.44
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300017206896	0	36	-1.0	-53.43	340.61	6.05	-47.38
CC(=O)NC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1F	REAL300017206897	0	37	-1.0	-60.80	320.26	4.15	-56.65
COC1=CC(Cl)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1OC	REAL300017206898	0	38	-1.0	-54.73	327.36	4.63	-50.10
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017206899	0	34	-1.0	-55.32	300.67	4.66	-50.66
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017206900	0	33	-1.0	-44.82	299.53	6.07	-38.75
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C	REAL300017206901	0	41	-1.0	-59.75	352.57	2.01	-57.74
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=CC=C2S1	REAL300017206902	0	42	-1.0	-53.79	373.10	8.14	-45.65
N#CCC1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206903	0	34	-1.0	-59.74	297.30	6.18	-53.56
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(Br)=C1	REAL300017206904	0	34	-1.0	-51.02	297.13	4.87	-46.15
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=N1	REAL300017206905	0	35	-1.0	-59.12	315.30	0.70	-58.42
CC1=CC2=C(C=C1S(=O)(=O)N1CC3CC1(C(=O)[O-])C3)OCO2	REAL300017206906	0	36	-1.0	-57.48	293.70	4.35	-53.13
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206907	0	36	-1.0	-51.65	309.00	6.47	-45.18
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017206908	0	30	-1.0	-49.52	285.52	5.93	-43.59
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206909	0	36	-1.0	-48.79	286.54	6.61	-42.18
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017206910	0	30	-1.0	-50.79	284.43	6.10	-44.69
COC1=CC2=C(C=C1S(=O)(=O)N1CC3CC1(C(=O)[O-])C3)OCC(=O)N2	REAL300017206911	0	40	-1.0	-61.84	338.66	2.17	-59.67
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017206912	0	31	-1.0	-53.67	282.35	3.43	-50.24
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017206913	0	30	-1.0	-53.44	285.48	5.84	-47.60
COC(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1OC	REAL300017206914	0	40	-1.0	-54.33	337.27	5.73	-48.60
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206915	0	34	-1.0	-66.63	310.57	2.47	-64.16
CCOC1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206916	0	37	-1.0	-56.10	310.16	5.31	-50.79
CC1(C)CC2=CC=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=C2O1	REAL300017206917	0	41	-1.0	-59.29	335.32	6.35	-52.94
N#CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1C(F)(F)F	REAL300017206918	0	34	-1.0	-44.21	311.86	6.20	-38.01
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206956	0	31	-1.0	-52.27	288.20	5.69	-46.58
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206957	0	34	-1.0	-57.41	287.51	5.96	-51.45
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(=O)N(C)C	REAL300017206958	0	44	-1.0	-53.44	358.94	4.45	-48.99
CC1CC2=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=CC(Cl)=C2O1	REAL300017206959	0	38	-1.0	-61.11	337.44	6.36	-54.75
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1[N+](=O)[O-]	REAL300017206960	0	35	-1.0	-47.42	299.35	6.21	-41.21
CCOC(=O)C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC([N+](=O)[O-])=C1C	REAL300017206961	0	44	-1.0	-46.02	370.00	7.55	-38.47
CC1=CC=C(Br)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206962	0	33	-1.0	-52.64	289.10	6.25	-46.39
COC(=O)C1=COC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206963	0	33	-1.0	-61.66	300.94	3.96	-57.70
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=N1	REAL300017206964	0	41	-1.0	-62.19	343.47	5.75	-56.44
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017206965	0	32	-1.0	-57.96	290.52	4.56	-53.40
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300017206966	0	40	-1.0	-67.39	322.21	5.28	-62.11
COC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)SC=C1	REAL300017206967	0	31	-1.0	-56.17	274.17	4.39	-51.78
CC(=O)NC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1C	REAL300017206968	0	40	-1.0	-62.19	329.45	4.77	-57.42
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCCC(F)(F)F	REAL300017206969	0	32	-1.0	-52.59	284.72	4.82	-47.77
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017206970	0	35	-1.0	-55.68	308.90	5.16	-50.52
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300017206971	0	36	-1.0	-52.72	298.93	2.80	-49.92
CN1CCCC2=CC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C21	REAL300017206972	0	42	-1.0	-58.71	332.71	5.64	-53.07
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017206973	0	32	-1.0	-54.27	294.03	4.40	-49.87
CC1=CC=C(Cl)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206974	0	33	-1.0	-57.70	289.84	6.18	-51.52
COC1=CC=CC(OC)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206975	0	38	-1.0	-61.47	311.81	5.76	-55.71
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CN=C1Cl	REAL300017206976	0	32	-1.0	-49.49	289.16	4.32	-45.17
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017206977	0	36	-1.0	-59.61	315.05	4.30	-55.31
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017206978	0	29	-1.0	-48.37	284.85	5.02	-43.35
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300017206979	0	39	-1.0	-53.04	328.49	6.68	-46.36
CC1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1C#N	REAL300017206980	0	34	-1.0	-56.77	291.89	5.77	-51.00
COC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC(OC)=C1	REAL300017206981	0	38	-1.0	-61.29	318.60	3.78	-57.51
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206982	0	31	-1.0	-52.63	286.31	5.85	-46.78
CN1C=NC2=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=CC=C21	REAL300017206983	0	36	-1.0	-62.70	312.13	6.59	-56.11
CC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=NC=CC=C2C=C1	REAL300017206984	0	38	-1.0	-69.63	306.60	7.15	-62.48
CCC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1CC	REAL300017206985	0	42	-1.0	-55.11	332.26	7.58	-47.53
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206986	0	38	-1.0	-47.30	308.38	7.21	-40.09
CC1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1Cl	REAL300017206987	0	33	-1.0	-52.74	284.25	6.06	-46.68
COC(=O)C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C(C)O1	REAL300017206988	0	36	-1.0	-62.75	318.06	4.62	-58.13
CC1=C(C)SC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206989	0	33	-1.0	-57.40	294.19	5.62	-51.78
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206990	0	31	-1.0	-51.90	276.33	2.95	-48.95
CCC1=NC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300017206991	0	32	-1.0	-53.64	285.65	3.58	-50.06
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017206992	0	36	-1.0	-57.94	298.25	6.77	-51.17
COC(=O)C1=NSC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206993	0	32	-1.0	-49.75	285.09	3.60	-46.15
COC(=O)C1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)SC=N1	REAL300017206994	0	32	-1.0	-61.12	297.68	3.49	-57.63
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC(C)=C1F	REAL300017206995	0	36	-1.0	-54.11	306.65	6.51	-47.60
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017206996	0	38	-1.0	-76.59	318.15	3.55	-73.04
O=C([O-])C12CC(C1)CN2S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017206997	0	41	-1.0	-55.59	322.43	3.13	-52.46
COC(=O)C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CN1C	REAL300017206998	0	37	-1.0	-71.46	324.83	5.36	-66.10
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017206999	0	29	-1.0	-49.69	266.97	3.70	-45.99
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300017207000	0	41	-1.0	-53.99	341.77	6.99	-47.00
CC1=CC=C(CS(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1F	REAL300017208908	0	37	-1.0	-63.89	310.16	6.42	-57.47
CC1=C(Br)C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017208909	0	36	-1.0	-51.77	320.96	6.58	-45.19
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC(F)=C1F	REAL300017208910	0	37	-1.0	-53.05	323.09	5.59	-47.46
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017208911	0	43	-1.0	-59.36	341.80	6.28	-53.08
CN(C(C)(C)C(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017208912	0	49	-1.0	-58.17	344.43	6.45	-51.72
CC1=NC2=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=CC=C2C=C1	REAL300017208913	0	39	-1.0	-52.77	315.69	5.84	-46.93
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017208914	0	39	-1.0	-66.04	324.61	6.91	-59.13
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017208915	0	42	-1.0	-57.94	335.09	3.47	-54.47
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208916	0	45	-1.0	-45.57	376.16	5.46	-40.11
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017208917	0	32	-1.0	-38.61	300.64	5.26	-33.35
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1Cl	REAL300017208918	0	34	-1.0	-55.28	293.09	5.97	-49.31
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017208919	0	37	-1.0	-63.44	305.60	5.84	-57.60
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C2)=N1	REAL300017208920	0	40	-1.0	-57.44	343.70	6.32	-51.12
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1F	REAL300017208921	0	37	-1.0	-46.56	329.85	5.49	-41.07
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017208922	0	40	-1.0	-46.24	335.24	5.65	-40.59
CC1=C(Br)C=CC=C1CS(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208923	0	37	-1.0	-61.88	312.64	6.74	-55.14
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017208924	0	34	-1.0	-60.50	303.31	6.24	-54.26
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017208925	0	31	-1.0	-53.22	295.53	5.98	-47.24
CC1=CC(C(N)=O)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017208926	0	38	-1.0	-65.04	313.39	2.28	-62.76
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017208927	0	56	-1.0	-56.77	436.84	9.80	-46.97
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017208928	0	46	-1.0	-63.67	367.33	7.19	-56.48
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208929	0	41	-1.0	-43.59	347.05	6.49	-37.10
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017208930	0	37	-1.0	-59.45	310.63	6.63	-52.82
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1F	REAL300017208931	0	37	-1.0	-61.30	310.61	6.56	-54.74
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017208932	0	37	-1.0	-60.49	317.72	6.89	-53.60
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208933	0	35	-1.0	-41.68	309.88	5.06	-36.62
COC1=CC2=C(C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(=O)NCCC2	REAL300017208934	0	46	-1.0	-50.21	358.47	3.26	-46.95
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])S2)C1	REAL300017208935	0	42	-1.0	-62.06	344.45	5.34	-56.72
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017208936	0	38	-1.0	-59.42	327.95	7.35	-52.07
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300017208937	0	35	-1.0	-43.14	310.94	1.77	-41.37
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017208938	0	34	-1.0	-59.95	306.53	6.34	-53.61
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017208939	0	44	-1.0	-61.65	348.18	6.54	-55.11
CC(CC(F)(F)F)CS(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208940	0	36	-1.0	-63.79	294.86	5.24	-58.55
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017208941	0	38	-1.0	-49.09	311.42	6.24	-42.85
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C2)=N1	REAL300017208942	0	43	-1.0	-45.55	342.08	3.93	-41.62
COC1=CC(F)=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208943	0	35	-1.0	-43.25	289.33	4.44	-38.81
COC(=O)C1=C(C)C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])O1	REAL300017208944	0	37	-1.0	-56.00	318.97	4.47	-51.53
CCC1=NC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CN1CC1CC1	REAL300017208945	0	44	-1.0	-62.66	352.03	6.70	-55.96
CC(=O)N1CC2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C2C1	REAL300017208946	0	42	-1.0	-66.94	342.48	5.41	-61.53
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017208947	0	34	-1.0	-55.32	298.04	4.50	-50.82
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017208948	0	34	-1.0	-68.35	311.02	4.91	-63.44
CCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(C)C	REAL300017208949	0	50	-1.0	-57.13	389.07	7.92	-49.21
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017208950	0	39	-1.0	-45.59	314.31	6.49	-39.10
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300017208951	0	38	-1.0	-49.19	292.77	3.76	-45.43
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017208952	0	44	-1.0	-41.30	360.51	6.57	-34.73
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017208953	0	45	-1.0	-56.89	374.96	8.18	-48.71
COC(CS(=O)(=O)N(C)C(C)(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300017208954	0	41	-1.0	-59.90	340.78	6.17	-53.73
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017208955	0	43	-1.0	-52.72	339.72	5.83	-46.89
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Cl	REAL300017208956	0	39	-1.0	-56.66	339.66	3.71	-52.95
COC(=O)C1=CC=CC2=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=CC=C12	REAL300017208957	0	43	-1.0	-46.82	343.56	6.96	-39.86
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C	REAL300017208958	0	42	-1.0	-61.70	343.45	3.99	-57.71
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017208959	0	40	-1.0	-57.81	306.59	6.22	-51.59
CCOC1(CS(=O)(=O)N(C)C(C)(C)C(=O)[O-])CCOCC1	REAL300017208960	0	45	-1.0	-62.88	335.86	3.73	-59.15
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1F	REAL300017208961	0	37	-1.0	-46.36	319.52	5.06	-41.30
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C(Cl)C=C21	REAL300017208962	0	42	-1.0	-55.14	343.81	5.83	-49.31
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300017208963	0	34	-1.0	-40.18	300.16	2.82	-37.36
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017208964	0	42	-1.0	-58.35	358.24	8.93	-49.42
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208965	0	34	-1.0	-38.13	294.33	5.58	-32.55
CC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1Br	REAL300017208966	0	34	-1.0	-43.30	285.51	5.43	-37.87
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208967	0	37	-1.0	-56.28	302.89	5.24	-51.04
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017208968	0	39	-1.0	-55.72	315.17	2.64	-53.08
COC1=CC(Br)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017208969	0	35	-1.0	-56.19	308.28	4.77	-51.42
COC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017208970	0	37	-1.0	-54.19	313.00	5.57	-48.62
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208971	0	37	-1.0	-40.05	303.34	5.87	-34.18
COCCN1C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=N1	REAL300017208972	0	38	-1.0	-55.71	316.92	2.51	-53.20
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208973	0	44	-1.0	-49.26	342.58	5.77	-43.49
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017208974	0	38	-1.0	-62.13	320.87	5.41	-56.72
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1C	REAL300017208975	0	58	-1.0	-49.07	440.08	8.90	-40.17
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1F	REAL300017208976	0	45	-1.0	-59.41	368.46	2.76	-56.65
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017208977	0	39	-1.0	-61.72	332.44	7.23	-54.49
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017208978	0	31	-1.0	-52.66	284.49	5.49	-47.17
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017208979	0	34	-1.0	-60.34	295.17	5.81	-54.53
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017208980	0	38	-1.0	-76.54	322.30	2.75	-73.79
CCN1C(=O)OC2=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C21	REAL300017208981	0	40	-1.0	-53.57	331.61	5.34	-48.23
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208982	0	34	-1.0	-41.39	285.54	5.44	-35.95
COCC1=CC=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208983	0	38	-1.0	-50.57	297.94	4.16	-46.41
COC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1Br	REAL300017208984	0	35	-1.0	-54.85	307.40	4.80	-50.05
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017208985	0	34	-1.0	-49.77	321.73	1.41	-48.36
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017208986	0	34	-1.0	-56.94	301.14	3.97	-52.97
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017208987	0	42	-1.0	-58.10	334.97	6.10	-52.00
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300017208988	0	39	-1.0	-60.77	336.25	1.60	-59.17
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])S1	REAL300017208989	0	45	-1.0	-64.50	393.34	2.60	-61.90
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(OC)=C1	REAL300017208990	0	46	-1.0	-49.34	382.37	1.72	-47.62
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300017208991	0	50	-1.0	-66.09	412.87	5.95	-60.14
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1F	REAL300017208992	0	45	-1.0	-59.42	379.22	3.29	-56.13
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300017208993	0	46	-1.0	-61.20	361.52	5.41	-55.79
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1F	REAL300017208994	0	42	-1.0	-59.66	357.72	2.51	-57.15
CCC(=O)NCC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1OC	REAL300017208995	0	48	-1.0	-63.78	388.39	3.99	-59.79
COC1=CC=C(Br)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017208996	0	35	-1.0	-43.03	296.72	4.13	-38.90
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017208997	0	46	-1.0	-61.00	371.23	5.26	-55.74
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017208998	0	40	-1.0	-62.31	339.65	3.25	-59.06
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017208999	0	33	-1.0	-41.78	305.39	4.34	-37.44
CC(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1Br	REAL300017209000	0	36	-1.0	-55.02	315.02	5.86	-49.16
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017209202	0	34	-1.0	-59.58	289.79	5.73	-53.85
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017209203	0	34	-1.0	-53.38	312.94	6.36	-47.02
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017209204	0	34	-1.0	-48.24	299.18	5.30	-42.94
CC1=CC(Br)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209205	0	34	-1.0	-55.74	300.19	6.13	-49.61
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209206	0	42	-1.0	-61.18	329.43	2.76	-58.42
CSC1=CC=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209207	0	35	-1.0	-45.25	287.32	5.16	-40.09
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Br	REAL300017209208	0	38	-1.0	-59.54	332.98	4.48	-55.06
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209209	0	42	-1.0	-53.99	340.68	4.21	-49.78
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017209210	0	43	-1.0	-58.28	351.06	4.26	-54.02
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300017209211	0	37	-1.0	-56.51	336.99	2.99	-53.52
COC1=C(F)C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017209212	0	37	-1.0	-53.46	320.94	5.66	-47.80
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017209213	0	41	-1.0	-58.03	348.30	4.16	-53.87
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017209214	0	42	-1.0	-68.87	356.52	6.68	-62.19
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(OC)=C1	REAL300017209215	0	41	-1.0	-46.10	337.58	5.05	-41.05
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209216	0	34	-1.0	-38.10	294.32	5.58	-32.52
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017209217	0	39	-1.0	-42.13	307.27	5.99	-36.14
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017209218	0	39	-1.0	-69.23	323.35	6.26	-62.97
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209219	0	47	-1.0	-66.37	392.95	3.54	-62.83
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017209220	0	37	-1.0	-67.26	296.82	1.30	-65.96
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300017209221	0	41	-1.0	-59.02	337.85	5.78	-53.24
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017209222	0	36	-1.0	-55.28	303.84	4.51	-50.77
COC1=CC(F)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(F)=C1	REAL300017209223	0	35	-1.0	-60.79	292.11	4.28	-56.51
CCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=C1	REAL300017209224	0	41	-1.0	-42.87	315.51	5.07	-37.80
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209225	0	39	-1.0	-64.84	334.25	1.05	-63.79
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209226	0	40	-1.0	-55.66	320.24	5.91	-49.75
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017209227	0	35	-1.0	-46.66	292.65	4.65	-42.01
CSC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209228	0	35	-1.0	-57.32	296.70	5.89	-51.43
CCCOC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209229	0	43	-1.0	-56.22	354.62	7.26	-48.96
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300017209230	0	37	-1.0	-44.04	311.75	4.02	-40.02
CCC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209231	0	41	-1.0	-65.68	333.15	4.57	-61.11
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017209232	0	37	-1.0	-61.68	322.50	6.73	-54.95
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209233	0	42	-1.0	-60.74	324.74	6.57	-54.17
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017209234	0	30	-1.0	-42.15	276.61	3.34	-38.81
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017209235	0	37	-1.0	-47.72	297.49	4.14	-43.58
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017209236	0	36	-1.0	-46.24	288.69	4.59	-41.65
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017209237	0	43	-1.0	-60.43	354.53	7.00	-53.43
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017209238	0	31	-1.0	-50.65	281.74	4.91	-45.74
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(F)(F)F	REAL300017209239	0	37	-1.0	-58.84	311.91	6.35	-52.49
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017209240	0	37	-1.0	-59.78	333.29	5.94	-53.84
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C12	REAL300017209241	0	39	-1.0	-56.89	323.97	4.58	-52.31
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017209242	0	34	-1.0	-60.05	310.06	6.37	-53.68
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1CCCN1C(=O)OCC1=CC=CC=C1	REAL300017209243	0	52	-1.0	-59.93	417.16	7.96	-51.97
CC1=NOC2=NC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C12	REAL300017209244	0	35	-1.0	-56.50	297.42	1.82	-54.68
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017209245	0	40	-1.0	-60.24	338.06	7.71	-52.53
COCC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209246	0	38	-1.0	-61.42	312.70	4.59	-56.83
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017209247	0	33	-1.0	-39.03	295.47	5.50	-33.53
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300017209248	0	40	-1.0	-46.11	345.05	5.06	-41.05
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209249	0	37	-1.0	-44.74	299.82	5.37	-39.37
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017209250	0	34	-1.0	-62.46	296.09	6.14	-56.32
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017209251	0	43	-1.0	-58.34	350.91	2.86	-55.48
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017209252	0	38	-1.0	-60.25	328.59	5.57	-54.68
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017209253	0	31	-1.0	-39.89	285.99	5.37	-34.52
COC1=CC(OC)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Br	REAL300017209254	0	39	-1.0	-45.20	330.82	4.13	-41.07
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017209255	0	39	-1.0	-56.92	327.33	2.29	-54.63
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1F	REAL300017209291	0	40	-1.0	-55.02	338.66	6.44	-48.58
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017209292	0	39	-1.0	-52.96	314.02	4.39	-48.57
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017209293	0	31	-1.0	-40.11	271.14	4.83	-35.28
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209294	0	50	-1.0	-54.06	379.69	7.36	-46.70
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017209295	0	34	-1.0	-60.14	308.42	6.63	-53.51
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017209296	0	32	-1.0	-39.84	285.39	5.15	-34.69
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Cl	REAL300017209297	0	38	-1.0	-50.33	329.88	3.89	-46.44
CC1CC2=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C2O1	REAL300017209298	0	39	-1.0	-57.46	314.55	5.46	-52.00
COC1=CC(Cl)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Cl	REAL300017209299	0	35	-1.0	-40.95	310.06	4.62	-36.33
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209300	0	43	-1.0	-43.70	304.85	7.55	-36.15
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209301	0	43	-1.0	-52.84	336.19	2.92	-49.92
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CS1	REAL300017209302	0	34	-1.0	-57.99	304.17	4.53	-53.46
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209303	0	40	-1.0	-43.09	332.74	6.29	-36.80
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017209304	0	42	-1.0	-56.48	362.58	8.26	-48.22
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017209305	0	37	-1.0	-58.12	322.86	5.61	-52.51
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017209306	0	37	-1.0	-59.43	343.65	6.39	-53.04
COC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1C	REAL300017209307	0	40	-1.0	-46.54	316.53	5.40	-41.14
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017209308	0	33	-1.0	-54.21	306.97	6.14	-48.07
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209309	0	35	-1.0	-46.64	310.83	5.09	-41.55
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209310	0	43	-1.0	-45.95	329.68	4.57	-41.38
CCOC(=O)N1CCC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300017209311	0	45	-1.0	-64.56	349.12	4.81	-59.75
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C2)=CO1	REAL300017209312	0	40	-1.0	-48.45	330.69	3.39	-45.06
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017209313	0	30	-1.0	-50.54	284.21	3.92	-46.62
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017209314	0	34	-1.0	-58.29	283.68	3.53	-54.76
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017209315	0	39	-1.0	-58.48	311.17	5.47	-53.01
COC1=CC=C(Cl)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209316	0	35	-1.0	-43.52	294.15	4.06	-39.46
COC(=O)C1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=CC=CC=C2S1	REAL300017209317	0	40	-1.0	-55.69	328.91	6.72	-48.97
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300017209318	0	52	-1.0	-65.18	409.02	7.85	-57.33
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1CCCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017209319	0	52	-1.0	-52.77	411.74	7.39	-45.38
COC(=O)CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209320	0	40	-1.0	-64.14	333.47	6.32	-57.82
CC1=CC=C(N2C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=N2)C=C1	REAL300017209321	0	41	-1.0	-56.13	339.18	6.68	-49.45
CN(C(C)(C)C(=O)[O-])S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017209322	0	49	-1.0	-62.45	396.55	7.06	-55.39
CN(C(C)(C)C(=O)[O-])S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017209323	0	49	-1.0	-53.78	389.32	6.50	-47.28
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017209324	0	46	-1.0	-60.30	376.78	6.00	-54.30
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])S1	REAL300017209325	0	33	-1.0	-53.79	297.32	5.35	-48.44
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C21	REAL300017209326	0	42	-1.0	-71.14	336.78	5.91	-65.23
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017209327	0	31	-1.0	-42.52	279.94	5.27	-37.25
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017209328	0	31	-1.0	-52.78	293.62	5.91	-46.87
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209329	0	41	-1.0	-48.40	315.69	6.17	-42.23
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1F	REAL300017209330	0	37	-1.0	-55.41	316.78	5.52	-49.89
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209331	0	35	-1.0	-43.67	299.12	4.67	-39.00
COC1=CC=C(C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209332	0	38	-1.0	-43.70	293.68	4.14	-39.56
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017209333	0	32	-1.0	-53.28	297.98	5.72	-47.56
COC1=CC(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Cl	REAL300017209334	0	38	-1.0	-41.46	312.82	4.76	-36.70
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])S1	REAL300017209335	0	37	-1.0	-55.51	336.68	5.79	-49.72
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1F	REAL300017209336	0	38	-1.0	-59.31	319.79	3.81	-55.50
COC1=CC(Cl)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1OC	REAL300017209337	0	39	-1.0	-43.70	323.26	3.99	-39.71
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017209338	0	35	-1.0	-56.35	302.94	4.47	-51.88
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017209339	0	34	-1.0	-54.58	301.79	5.89	-48.69
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C	REAL300017209340	0	42	-1.0	-60.83	349.67	1.80	-59.03
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C2S1	REAL300017209341	0	43	-1.0	-56.96	372.23	7.91	-49.05
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(Br)=C1	REAL300017209342	0	35	-1.0	-42.97	296.71	4.13	-38.84
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017209343	0	36	-1.0	-60.31	314.33	0.54	-59.77
CC1=CC2=C(C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-])OCO2	REAL300017209344	0	37	-1.0	-43.44	290.47	3.56	-39.88
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300017209345	0	37	-1.0	-41.87	322.82	5.41	-36.46
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209346	0	37	-1.0	-47.89	304.09	5.54	-42.35
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017209347	0	31	-1.0	-39.82	281.46	5.27	-34.55
CC1=CC(F)=CC(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209348	0	37	-1.0	-47.55	283.16	5.60	-41.95
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017209349	0	31	-1.0	-39.53	283.98	5.35	-34.18
COC1=CC2=C(C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-])OCC(=O)N2	REAL300017209350	0	41	-1.0	-46.92	333.52	1.62	-45.30
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017209351	0	32	-1.0	-48.39	280.75	2.75	-45.64
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017209352	0	31	-1.0	-51.02	275.33	4.91	-46.11
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1OC	REAL300017209353	0	41	-1.0	-57.40	339.54	5.55	-51.85
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017209354	0	35	-1.0	-60.79	308.71	2.14	-58.65
CCOC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209355	0	38	-1.0	-61.48	308.99	5.09	-56.39
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017209356	0	42	-1.0	-63.34	335.64	6.32	-57.02
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017209357	0	35	-1.0	-56.61	314.16	6.01	-50.60
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017209398	0	32	-1.0	-46.26	284.14	4.97	-41.29
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300017209399	0	45	-1.0	-58.97	360.89	4.64	-54.33
CC1CC2=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC(Cl)=C2O1	REAL300017209400	0	39	-1.0	-50.85	329.36	5.46	-45.39
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017209401	0	36	-1.0	-53.48	301.59	6.00	-47.48
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017209402	0	45	-1.0	-51.43	372.18	7.43	-44.00
CC1=CC=C(Br)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209403	0	34	-1.0	-42.89	288.70	5.54	-37.35
COC(=O)C1=COC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209404	0	34	-1.0	-57.64	301.42	3.84	-53.80
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=N1	REAL300017209405	0	42	-1.0	-61.59	345.68	5.68	-55.91
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017209406	0	33	-1.0	-56.39	289.53	4.38	-52.01
CC(=O)N(C)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209407	0	41	-1.0	-62.72	323.08	5.13	-57.59
CC(=O)NC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1C	REAL300017209408	0	41	-1.0	-74.33	330.56	4.56	-69.77
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017209409	0	36	-1.0	-68.75	306.78	5.06	-63.69
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017209410	0	37	-1.0	-48.90	296.34	2.08	-46.82
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017209411	0	43	-1.0	-59.24	331.87	5.40	-53.84
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017209412	0	33	-1.0	-52.13	292.25	4.09	-48.04
CC1=CC=C(Cl)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209413	0	34	-1.0	-43.44	285.99	5.43	-38.01
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209414	0	39	-1.0	-66.32	310.37	5.26	-61.06
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CN=C1Cl	REAL300017209415	0	33	-1.0	-52.07	288.29	4.15	-47.92
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017209416	0	37	-1.0	-54.21	306.93	3.40	-50.81
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017209417	0	30	-1.0	-53.09	278.12	4.63	-48.46
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017209418	0	40	-1.0	-57.82	331.04	6.62	-51.20
COC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC(OC)=C1	REAL300017209419	0	39	-1.0	-60.23	316.45	3.45	-56.78
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017209420	0	32	-1.0	-40.23	285.43	5.14	-35.09
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017209421	0	37	-1.0	-53.13	305.49	5.77	-47.36
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017209422	0	39	-1.0	-62.25	302.73	6.15	-56.10
CCC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1CC	REAL300017209423	0	43	-1.0	-58.79	334.54	7.40	-51.39
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209424	0	39	-1.0	-46.47	305.63	6.22	-40.25
CC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1Cl	REAL300017209425	0	34	-1.0	-43.94	283.34	5.36	-38.58
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C(C)O1	REAL300017209426	0	37	-1.0	-43.19	312.88	3.94	-39.25
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017209427	0	32	-1.0	-40.56	275.21	2.27	-38.29
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017209428	0	37	-1.0	-43.57	297.33	6.10	-37.47
COC(=O)C1=NSC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209429	0	33	-1.0	-47.52	285.16	2.82	-44.70
COC(=O)C1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])SC=N1	REAL300017209430	0	33	-1.0	-57.90	295.41	2.70	-55.20
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC(C)=C1F	REAL300017209431	0	37	-1.0	-54.46	303.62	6.20	-48.26
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017209432	0	39	-1.0	-72.16	317.06	3.30	-68.86
CN(C(C)(C)C(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017209433	0	42	-1.0	-58.59	321.67	2.88	-55.71
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CN1C	REAL300017209434	0	38	-1.0	-64.10	318.46	5.03	-59.07
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209435	0	42	-1.0	-59.95	339.92	6.68	-53.27
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017209436	0	34	-1.0	-61.42	305.48	6.26	-55.16
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017209437	0	34	-1.0	-60.76	306.04	6.27	-54.49
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017209438	0	31	-1.0	-44.81	271.81	5.33	-39.48
COC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CN=C1Cl	REAL300017209439	0	34	-1.0	-51.70	297.97	2.80	-48.90
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017209440	0	35	-1.0	-64.00	309.58	6.13	-57.87
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=N1	REAL300017209441	0	36	-1.0	-54.47	308.25	3.73	-50.74
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017209442	0	30	-1.0	-41.43	267.00	3.55	-37.88
COCC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209443	0	38	-1.0	-58.78	311.58	4.60	-54.18
COC1=CC(C#N)=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209444	0	36	-1.0	-42.90	303.60	4.78	-38.12
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209445	0	37	-1.0	-58.58	328.99	6.01	-52.57
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017209446	0	34	-1.0	-40.64	296.25	2.26	-38.38
CCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=N1	REAL300017209447	0	37	-1.0	-55.23	306.56	2.44	-52.79
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017209448	0	40	-1.0	-71.51	341.55	3.07	-68.44
CC(=O)NC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1F	REAL300017209449	0	38	-1.0	-63.49	318.80	3.82	-59.67
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C21	REAL300017209450	0	45	-1.0	-70.64	349.14	6.32	-64.32
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017209451	0	34	-1.0	-60.40	284.76	3.69	-56.71
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209452	0	37	-1.0	-39.21	306.38	5.94	-33.27
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209453	0	48	-1.0	-63.90	394.24	4.54	-59.36
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209454	0	41	-1.0	-49.33	343.10	1.69	-47.64
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C2CC1	REAL300017209455	0	48	-1.0	-65.29	370.66	6.82	-58.47
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(F)(F)F	REAL300017209456	0	40	-1.0	-54.82	342.41	6.30	-48.52
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209457	0	40	-1.0	-42.84	324.92	6.68	-36.16
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017209458	0	34	-1.0	-44.90	288.97	5.69	-39.21
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017209459	0	34	-1.0	-40.77	286.95	5.82	-34.95
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209460	0	45	-1.0	-70.23	369.16	3.06	-67.17
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209461	0	44	-1.0	-47.75	358.91	5.77	-41.98
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1C	REAL300017209462	0	43	-1.0	-59.04	350.02	6.94	-52.10
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209463	0	43	-1.0	-65.37	356.44	7.23	-58.14
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1OC	REAL300017209464	0	42	-1.0	-53.49	350.69	4.18	-49.31
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C(F)C=C1C	REAL300017209465	0	43	-1.0	-50.61	353.23	6.43	-44.18
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017209466	0	37	-1.0	-60.88	321.67	7.01	-53.87
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209467	0	40	-1.0	-55.58	337.03	5.88	-49.70
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017209468	0	41	-1.0	-59.75	331.81	8.28	-51.47
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209469	0	45	-1.0	-58.88	375.66	2.67	-56.21
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300017209470	0	34	-1.0	-61.76	297.90	6.19	-55.57
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CN1C	REAL300017209471	0	43	-1.0	-61.66	359.29	6.15	-55.51
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017209472	0	35	-1.0	-61.59	303.94	5.61	-55.98
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017209473	0	34	-1.0	-59.03	290.69	5.79	-53.24
CC1=NC(Cl)=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209474	0	33	-1.0	-40.96	274.69	3.37	-37.59
CC1=NC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C(Br)N1C	REAL300017209475	0	34	-1.0	-64.15	300.60	4.51	-59.64
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017209476	0	32	-1.0	-51.15	280.43	3.65	-47.50
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209477	0	44	-1.0	-72.73	349.57	5.66	-67.07
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(F)=C1	REAL300017209478	0	37	-1.0	-50.52	315.13	4.97	-45.55
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209479	0	42	-1.0	-50.66	351.90	3.77	-46.89
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300017209480	0	46	-1.0	-59.28	370.26	7.65	-51.63
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209481	0	43	-1.0	-60.81	360.18	4.09	-56.72
COC(=O)C1(CS(=O)(=O)N(C)C(C)(C)C(=O)[O-])CCCC1	REAL300017209482	0	43	-1.0	-65.57	327.93	6.76	-58.81
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209483	0	38	-1.0	-57.19	329.28	5.08	-52.11
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300017209484	0	37	-1.0	-54.52	311.92	6.34	-48.18
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017209485	0	42	-1.0	-56.89	363.67	8.22	-48.67
COC(=O)CC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209486	0	40	-1.0	-65.65	334.58	6.30	-59.35
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017209487	0	37	-1.0	-60.24	321.25	6.96	-53.28
COC(=O)C1(CS(=O)(=O)N(C)C(C)(C)C(=O)[O-])CCC1	REAL300017209488	0	40	-1.0	-67.69	317.09	5.43	-62.26
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017209489	0	31	-1.0	-53.94	290.55	5.17	-48.77
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1I	REAL300017209490	0	34	-1.0	-58.30	302.83	6.47	-51.83
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209491	0	44	-1.0	-60.45	367.33	5.21	-55.24
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209492	0	47	-1.0	-60.07	389.19	6.14	-53.93
COC(=O)C1(CS(=O)(=O)N(C)C(C)(C)C(=O)[O-])CCCCC1	REAL300017209493	0	46	-1.0	-67.73	339.68	6.88	-60.85
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209494	0	39	-1.0	-62.42	326.87	5.76	-56.66
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017209495	0	33	-1.0	-70.12	286.21	4.11	-66.01
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300017209496	0	44	-1.0	-61.20	357.31	8.69	-52.51
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017209497	0	34	-1.0	-60.26	314.97	6.72	-53.54
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017209498	0	34	-1.0	-60.68	305.85	6.32	-54.36
COC1=CC=C(Br)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1F	REAL300017209499	0	35	-1.0	-54.26	298.34	4.17	-50.09
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209500	0	41	-1.0	-61.18	334.28	7.32	-53.86
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017209501	0	35	-1.0	-60.39	308.43	6.64	-53.75
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C(C(N)=O)O1	REAL300017209503	0	35	-1.0	-44.80	294.57	-0.01	-44.81
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017209507	0	40	-1.0	-63.95	321.79	5.73	-58.22
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)F	REAL300017209508	0	31	-1.0	-39.90	266.37	4.11	-35.79
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017209509	0	37	-1.0	-61.55	311.35	6.57	-54.98
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209510	0	47	-1.0	-45.96	368.06	6.87	-39.09
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017209511	0	36	-1.0	-49.05	288.66	4.65	-44.40
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C21	REAL300017209512	0	51	-1.0	-64.79	382.00	7.29	-57.50
COC(=O)C1=CN(C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209513	0	38	-1.0	-53.96	318.27	4.47	-49.49
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017209514	0	45	-1.0	-59.38	353.04	4.92	-54.46
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017209515	0	46	-1.0	-70.85	368.29	7.52	-63.33
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C21	REAL300017209516	0	45	-1.0	-71.12	358.44	6.80	-64.32
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300017209517	0	46	-1.0	-56.43	386.73	8.72	-47.71
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017209518	0	38	-1.0	-57.65	307.91	4.61	-53.04
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300017209519	0	38	-1.0	-54.34	303.51	4.67	-49.67
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017209520	0	41	-1.0	-56.55	328.89	5.43	-51.12
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017209528	0	37	-1.0	-56.57	325.11	5.89	-50.68
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017209529	0	37	-1.0	-60.55	308.20	2.06	-58.49
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(Br)C=CO1	REAL300017209530	0	28	-1.0	-57.13	260.50	3.72	-53.41
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300017209531	0	38	-1.0	-48.18	297.24	4.31	-43.87
COC1=C(F)C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1F	REAL300017209532	0	35	-1.0	-52.91	303.50	4.41	-48.50
COC1=CC(F)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1F	REAL300017209533	0	35	-1.0	-42.59	295.89	3.75	-38.84
CCCCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(C)C	REAL300017209534	0	56	-1.0	-56.96	432.07	9.48	-47.48
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C	REAL300017209535	0	47	-1.0	-52.69	351.50	5.96	-46.73
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209536	0	41	-1.0	-44.10	328.44	5.82	-38.28
CCOCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(C)C	REAL300017209537	0	54	-1.0	-58.94	423.06	7.34	-51.60
CC1CC2=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C2O1	REAL300017209538	0	39	-1.0	-47.59	310.85	5.01	-42.58
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300017209539	0	39	-1.0	-55.13	327.04	4.65	-50.48
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300017209540	0	39	-1.0	-57.13	323.40	6.52	-50.61
COC1=C(F)C=CC(F)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209541	0	35	-1.0	-45.39	292.97	4.88	-40.51
CC1=C(Br)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C(C)S1	REAL300017209542	0	34	-1.0	-41.34	296.61	5.71	-35.63
CC1=CC(Cl)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(Br)=C1	REAL300017209543	0	34	-1.0	-43.16	298.45	6.44	-36.72
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C21	REAL300017209544	0	48	-1.0	-69.49	364.53	6.86	-62.63
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017209545	0	37	-1.0	-52.42	308.12	5.04	-47.38
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C21	REAL300017209546	0	45	-1.0	-69.81	356.59	6.47	-63.34
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=NN1C	REAL300017209547	0	31	-1.0	-51.24	276.19	2.89	-48.35
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017209548	0	33	-1.0	-53.39	291.44	4.02	-49.37
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209549	0	36	-1.0	-67.26	296.00	4.98	-62.28
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017209550	0	35	-1.0	-46.03	309.95	4.80	-41.23
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017209551	0	34	-1.0	-59.54	297.25	6.35	-53.19
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017209552	0	35	-1.0	-45.36	310.58	4.89	-40.47
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017209553	0	34	-1.0	-69.01	306.45	4.80	-64.21
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300017209554	0	38	-1.0	-45.37	308.23	4.17	-41.20
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=C1F	REAL300017209555	0	40	-1.0	-48.56	302.58	6.18	-42.38
COC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1OC	REAL300017209556	0	39	-1.0	-48.93	312.12	4.24	-44.69
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017209557	0	40	-1.0	-61.14	325.92	2.09	-59.05
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300017209558	0	32	-1.0	-53.32	298.00	5.73	-47.59
COC1=CC=C(F)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1OC	REAL300017209559	0	39	-1.0	-48.80	315.99	4.51	-44.29
COC(=O)C1=C(Br)OC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209560	0	34	-1.0	-53.33	320.17	4.48	-48.85
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(I)S1	REAL300017209561	0	28	-1.0	-54.47	278.16	5.16	-49.31
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300017209562	0	44	-1.0	-46.68	340.27	4.96	-41.72
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300017209563	0	35	-1.0	-51.67	303.87	6.27	-45.40
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300017209565	0	38	-1.0	-46.48	308.33	4.06	-42.42
CN(C(=O)CC1=C(Cl)C=CC=C1Cl)C(C)(C)C(=O)[O-]	REAL300017209566	0	33	-1.0	-56.30	294.67	8.82	-47.48
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017209567	0	35	-1.0	-58.54	296.71	4.42	-54.12
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017209568	0	35	-1.0	-48.25	310.03	4.81	-43.44
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017209569	0	34	-1.0	-46.31	284.53	3.62	-42.69
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300017209570	0	36	-1.0	-61.31	300.41	2.70	-58.61
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Br	REAL300017209572	0	37	-1.0	-40.92	303.87	6.04	-34.88
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017209573	0	37	-1.0	-40.93	324.07	5.41	-35.52
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017209574	0	34	-1.0	-45.00	286.81	4.66	-40.34
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300017209575	0	41	-1.0	-46.73	323.79	4.42	-42.31
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209576	0	49	-1.0	-53.02	363.88	7.94	-45.08
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017209577	0	37	-1.0	-55.79	328.70	6.70	-49.09
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017209578	0	41	-1.0	-55.95	331.10	5.54	-50.41
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017209579	0	35	-1.0	-53.44	287.98	5.31	-48.13
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017209580	0	42	-1.0	-44.51	352.21	7.25	-37.26
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300017209581	0	44	-1.0	-67.75	347.26	3.25	-64.50
COC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017209582	0	40	-1.0	-74.19	321.49	6.52	-67.67
COC(=O)C1=NN(C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209583	0	37	-1.0	-55.33	310.56	3.12	-52.21
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300017209584	0	32	-1.0	-42.72	275.14	4.64	-38.08
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300017209585	0	38	-1.0	-55.30	300.13	4.35	-50.95
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017209586	0	35	-1.0	-51.07	313.94	6.19	-44.88
COC(=O)C1=CC2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C2C=C1	REAL300017209587	0	43	-1.0	-52.80	356.25	7.23	-45.57
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300017209588	0	40	-1.0	-60.77	346.62	7.46	-53.31
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300017209589	0	40	-1.0	-57.13	311.69	4.72	-52.41
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300017209590	0	40	-1.0	-56.30	321.69	4.62	-51.68
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300017209591	0	38	-1.0	-44.40	301.88	3.31	-41.09
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300017209592	0	36	-1.0	-51.28	308.57	4.74	-46.54
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017209593	0	34	-1.0	-53.15	302.62	5.91	-47.24
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017209594	0	31	-1.0	-41.59	264.51	4.19	-37.40
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017209595	0	31	-1.0	-52.57	288.10	5.02	-47.55
CN(C(C)(C)C(=O)[O-])S(=O)(=O)N1CCC(F)(F)CC1	REAL300017209596	0	36	-1.0	-55.66	281.84	4.00	-51.66
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017209597	0	34	-1.0	-54.13	309.39	6.25	-47.88
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017209598	0	34	-1.0	-45.89	265.24	5.21	-40.68
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209599	0	42	-1.0	-69.52	342.20	6.90	-62.62
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017209600	0	42	-1.0	-44.78	324.99	7.38	-37.40
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300017209601	0	41	-1.0	-66.85	337.68	6.54	-60.31
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017209602	0	37	-1.0	-41.99	318.25	5.30	-36.69
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300017209603	0	36	-1.0	-43.92	313.37	5.07	-38.85
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209604	0	41	-1.0	-54.97	352.71	5.64	-49.33
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017209605	0	40	-1.0	-64.07	330.91	4.94	-59.13
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017209606	0	31	-1.0	-41.80	264.86	4.29	-37.51
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017209607	0	34	-1.0	-40.81	276.64	5.38	-35.43
COC(=O)C1=C(C)SC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209608	0	37	-1.0	-54.87	324.03	5.33	-49.54
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017209609	0	38	-1.0	-51.62	309.66	6.40	-45.22
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300017209610	0	33	-1.0	-53.30	312.04	5.19	-48.11
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017209611	0	41	-1.0	-46.82	320.06	4.92	-41.90
CCC(C)N1N=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209612	0	40	-1.0	-49.95	317.76	4.06	-45.89
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209613	0	40	-1.0	-66.43	327.73	2.39	-64.04
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300017209614	0	34	-1.0	-62.22	312.06	1.47	-60.75
CN(C1CCCCCC1)S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209615	0	45	-1.0	-51.42	320.90	5.09	-46.33
COC1=CC(F)=C(F)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209616	0	35	-1.0	-41.84	295.58	4.51	-37.33
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300017209617	0	45	-1.0	-45.48	347.57	3.17	-42.31
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300017209618	0	37	-1.0	-57.05	310.71	6.36	-50.69
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017209619	0	35	-1.0	-59.55	296.88	4.46	-55.09
CN(C(C)(C)C(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017209620	0	46	-1.0	-41.57	350.09	6.96	-34.61
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=NC=CC=C12	REAL300017209621	0	42	-1.0	-62.17	321.37	6.74	-55.43
CN(C(C)(C)C(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017209622	0	39	-1.0	-43.56	306.70	4.26	-39.30
CCOCC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209623	0	41	-1.0	-61.55	334.56	5.56	-55.99
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300017209624	0	34	-1.0	-57.58	316.97	6.97	-50.61
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300017209627	0	41	-1.0	-49.95	337.97	5.35	-44.60
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017209628	0	44	-1.0	-56.92	344.36	5.88	-51.04
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017209629	0	42	-1.0	-49.10	343.82	7.15	-41.95
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC(C)=C1Br	REAL300017209630	0	37	-1.0	-54.87	314.29	6.62	-48.25
CCN1N=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1Cl	REAL300017209631	0	34	-1.0	-42.40	296.55	3.19	-39.21
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017209632	0	35	-1.0	-60.20	312.45	6.73	-53.47
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C2	REAL300017209633	0	37	-1.0	-55.45	342.83	6.19	-49.26
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017209634	0	31	-1.0	-56.96	283.96	5.61	-51.35
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017209635	0	33	-1.0	-51.46	294.97	4.05	-47.41
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017209636	0	36	-1.0	-59.16	307.98	5.29	-53.87
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017209637	0	36	-1.0	-48.49	305.58	5.13	-43.36
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300017209638	0	40	-1.0	-47.79	311.34	7.00	-40.79
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209639	0	35	-1.0	-45.35	309.60	5.64	-39.71
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017209640	0	38	-1.0	-60.18	314.44	5.23	-54.95
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300017209641	0	45	-1.0	-57.59	362.20	6.40	-51.19
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017209642	0	31	-1.0	-47.71	282.54	4.85	-42.86
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])O1	REAL300017209643	0	37	-1.0	-64.48	325.15	1.40	-63.08
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300017209644	0	41	-1.0	-58.76	338.86	5.76	-53.00
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017209645	0	37	-1.0	-60.92	331.18	2.63	-58.29
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017209646	0	35	-1.0	-57.09	299.83	6.35	-50.74
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017209647	0	35	-1.0	-57.48	314.46	6.79	-50.69
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017209648	0	35	-1.0	-56.56	314.71	6.91	-49.65
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017209649	0	35	-1.0	-57.95	301.76	6.29	-51.66
COC(=O)C1CCCCN1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209650	0	42	-1.0	-42.66	307.28	5.01	-37.65
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300017209651	0	53	-1.0	-59.05	386.19	9.04	-50.01
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300017209652	0	34	-1.0	-59.74	302.91	5.65	-54.09
COC1=CC=C(C=C(C)S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209653	0	42	-1.0	-43.48	333.43	5.36	-38.12
COC(=O)C=CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209654	0	41	-1.0	-59.95	343.16	6.78	-53.17
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=NN1	REAL300017209655	0	37	-1.0	-56.82	321.73	2.91	-53.91
COC1=CSC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1OC	REAL300017209656	0	36	-1.0	-61.22	310.85	3.03	-58.19
CN(C(C)(C)C(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017209657	0	43	-1.0	-49.27	315.36	4.75	-44.52
CN(CCC1=CC=CC=C1)S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209658	0	42	-1.0	-42.85	323.57	5.87	-36.98
CN(C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300017209659	0	42	-1.0	-61.48	320.09	10.51	-50.97
CN(C(=O)N1CCC(CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300017209660	0	48	-1.0	-61.38	353.44	10.49	-50.89
CN(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C(=O)[O-]	REAL300017209661	0	49	-1.0	-43.75	347.36	5.96	-37.79
CN(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)C(C)(C)C(=O)[O-]	REAL300017209662	0	50	-1.0	-62.16	369.74	7.53	-54.63
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209663	0	35	-1.0	-44.95	305.74	5.38	-39.57
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017209664	0	35	-1.0	-41.01	301.41	4.96	-36.05
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017209665	0	35	-1.0	-45.15	302.58	4.09	-41.06
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300017209666	0	37	-1.0	-47.41	298.11	4.32	-43.09
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300017209667	0	38	-1.0	-61.99	311.33	6.63	-55.36
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017209668	0	34	-1.0	-57.69	289.79	5.87	-51.82
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017209669	0	40	-1.0	-56.60	336.32	5.34	-51.26
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017209670	0	28	-1.0	-51.50	283.88	5.02	-46.48
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209671	0	44	-1.0	-50.22	343.79	6.70	-43.52
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017209672	0	48	-1.0	-58.54	375.78	6.75	-51.79
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017209673	0	34	-1.0	-41.55	313.42	6.06	-35.49
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017209674	0	36	-1.0	-57.21	309.35	5.54	-51.67
COC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209675	0	39	-1.0	-58.21	309.47	4.05	-54.16
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(I)C=CS1	REAL300017209676	0	28	-1.0	-58.25	276.39	5.05	-53.20
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017209677	0	42	-1.0	-58.23	346.88	7.70	-50.53
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300017209678	0	37	-1.0	-46.95	282.07	5.74	-41.21
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017209679	0	36	-1.0	-57.43	312.53	3.46	-53.97
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017209680	0	32	-1.0	-45.51	291.30	3.97	-41.54
CC1=CC(Cl)=NC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209681	0	33	-1.0	-48.20	278.89	3.41	-44.79
C=C(C)COC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209682	0	42	-1.0	-62.15	341.29	6.49	-55.66
CCN1C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C2CC2)=N1	REAL300017209683	0	41	-1.0	-46.03	330.84	5.01	-41.02
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300017209684	0	35	-1.0	-59.22	288.05	3.61	-55.61
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017209685	0	37	-1.0	-50.66	318.22	7.08	-43.58
CC(=O)OC1CCN(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C1	REAL300017209686	0	39	-1.0	-51.53	313.87	3.45	-48.08
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017209687	0	41	-1.0	-56.84	348.43	8.79	-48.05
CCC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1Br	REAL300017209688	0	37	-1.0	-55.31	316.52	6.70	-48.61
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209689	0	44	-1.0	-48.07	343.29	5.50	-42.57
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209690	0	45	-1.0	-46.06	358.97	4.67	-41.39
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017209691	0	37	-1.0	-45.79	310.26	7.04	-38.75
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300017209692	0	39	-1.0	-47.10	306.63	2.19	-44.91
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300017209693	0	37	-1.0	-50.98	320.41	4.16	-46.82
CC(=O)OCC1CCN(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300017209694	0	45	-1.0	-44.41	349.79	5.08	-39.33
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209695	0	45	-1.0	-59.63	360.80	4.57	-55.06
CN(C(C)(C)C(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017209696	0	41	-1.0	-41.96	316.82	2.19	-39.77
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=N1	REAL300017209697	0	37	-1.0	-42.04	289.93	1.44	-40.60
COC1=NC=C(C)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209698	0	37	-1.0	-46.90	300.25	2.15	-44.75
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017209699	0	46	-1.0	-57.15	358.41	5.25	-51.90
COC1=NC=C(Cl)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209700	0	34	-1.0	-42.98	295.55	2.00	-40.98
COC1=NC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C	REAL300017209701	0	37	-1.0	-54.13	304.95	2.35	-51.78
CC(C)CN1C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=N1	REAL300017209702	0	40	-1.0	-58.33	320.21	5.03	-53.30
CC1=NN(C(C)C)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209703	0	40	-1.0	-46.36	318.76	3.84	-42.52
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017209704	0	30	-1.0	-54.24	284.01	2.92	-51.32
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017209705	0	35	-1.0	-57.75	325.15	7.15	-50.60
COC(=O)C1=NC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C	REAL300017209706	0	39	-1.0	-52.97	324.41	4.27	-48.70
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300017209707	0	34	-1.0	-54.82	290.22	5.62	-49.20
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300017209708	0	38	-1.0	-47.67	304.71	4.47	-43.20
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017209709	0	38	-1.0	-63.01	317.69	6.03	-56.98
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=NN1C(C)C	REAL300017209710	0	40	-1.0	-44.90	316.94	3.93	-40.97
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017209711	0	38	-1.0	-59.57	317.01	7.05	-52.52
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017209712	0	33	-1.0	-54.79	284.85	3.94	-50.85
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300017209713	0	45	-1.0	-56.35	365.95	8.45	-47.90
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017209714	0	38	-1.0	-60.86	319.01	7.08	-53.78
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017209715	0	35	-1.0	-45.91	305.38	4.70	-41.21
CN(C(=O)N1CC=C(Br)CC1)C(C)(C)C(=O)[O-]	REAL300017209716	0	33	-1.0	-57.55	265.74	6.71	-50.84
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017209717	0	34	-1.0	-53.27	292.62	5.18	-48.09
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209718	0	39	-1.0	-50.78	312.76	0.06	-50.72
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017209720	0	38	-1.0	-56.31	307.15	6.32	-49.99
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(Cl)=C1Cl	REAL300017209721	0	34	-1.0	-43.39	298.52	5.82	-37.57
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017209722	0	35	-1.0	-47.96	306.40	4.10	-43.86
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017209723	0	38	-1.0	-56.06	326.16	5.98	-50.08
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C(F)F)=C1	REAL300017209724	0	38	-1.0	-53.28	308.94	4.87	-48.41
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209725	0	37	-1.0	-42.33	317.70	2.46	-39.87
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=NC=CC=C12	REAL300017209726	0	39	-1.0	-52.80	312.47	5.88	-46.92
CN(C(=O)N1CC(OCC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300017209727	0	43	-1.0	-62.51	340.30	7.98	-54.53
CN(C(=O)N1CC(NC(=O)OC(C)(C)C)C1)C(C)(C)C(=O)[O-]	REAL300017209728	0	46	-1.0	-60.64	350.67	4.60	-56.04
CC(=O)OCC1CCN(C(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300017209729	0	44	-1.0	-62.07	332.38	7.43	-54.64
CN(C(C)(C)C(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300017209730	0	34	-1.0	-56.22	286.63	4.50	-51.72
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209732	0	44	-1.0	-46.74	343.46	6.42	-40.32
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C(Cl)S1	REAL300017209733	0	31	-1.0	-38.68	277.74	4.63	-34.05
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017209734	0	38	-1.0	-45.78	327.62	5.19	-40.59
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C2CCCCN2N=C1	REAL300017209735	0	38	-1.0	-45.27	296.25	3.37	-41.90
CN1C=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=N1	REAL300017209736	0	32	-1.0	-44.92	281.05	2.58	-42.34
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209738	0	35	-1.0	-58.64	306.29	6.27	-52.37
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300017209739	0	32	-1.0	-45.44	302.79	6.25	-39.19
N#CC1=CC=CC=C1CS(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209754	0	36	-1.0	-54.41	320.94	6.14	-48.27
CC1=CC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=CC([N+](=O)[O-])=C1C	REAL300017209755	0	40	-1.0	-60.22	340.68	7.39	-52.83
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1C	REAL300017209756	0	40	-1.0	-52.29	334.11	7.41	-44.88
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300017209757	0	38	-1.0	-58.16	328.52	4.75	-53.41
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C=CC1=CC=CC=C1	REAL300017209758	0	36	-1.0	-54.86	315.39	7.14	-47.72
CN1C=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(=O)N(C)C1=O	REAL300017209759	0	38	-1.0	-58.50	319.19	4.19	-54.31
CC1=NN(C)C(C)=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209760	0	38	-1.0	-56.48	318.69	4.57	-51.91
CC1=NNC(C)=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209761	0	35	-1.0	-48.90	284.71	3.52	-45.38
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300017209762	0	35	-1.0	-62.01	315.79	3.10	-58.91
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CC1=CC=CC=C1	REAL300017209763	0	35	-1.0	-56.82	305.79	6.67	-50.15
COC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209764	0	36	-1.0	-58.17	314.36	4.89	-53.28
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300017209765	0	34	-1.0	-54.40	283.63	6.14	-48.26
CCOC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209766	0	39	-1.0	-57.01	336.24	5.82	-51.19
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(F)C=C1F	REAL300017209767	0	32	-1.0	-54.64	290.95	5.95	-48.69
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(F)C=C1	REAL300017209768	0	32	-1.0	-54.96	291.28	5.66	-49.30
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC(F)=C1	REAL300017209769	0	32	-1.0	-59.27	291.03	5.68	-53.59
CC1=CC(C)=C(C)C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1C	REAL300017209770	0	44	-1.0	-57.40	340.21	8.04	-49.36
CC1=CC(C)=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(C)=C1	REAL300017209771	0	41	-1.0	-45.63	311.86	6.45	-39.18
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209772	0	47	-1.0	-59.63	369.52	8.52	-51.11
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300017209773	0	32	-1.0	-52.70	315.95	6.58	-46.12
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300017209774	0	32	-1.0	-52.73	296.74	5.72	-47.01
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300017209775	0	32	-1.0	-57.07	308.80	6.52	-50.55
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300017209776	0	35	-1.0	-47.19	318.50	6.95	-40.24
CC1=CC=CC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209777	0	35	-1.0	-53.13	301.17	6.61	-46.52
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300017209778	0	35	-1.0	-55.36	306.86	7.25	-48.11
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC=C1F	REAL300017209779	0	32	-1.0	-49.04	274.75	4.91	-44.13
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300017209780	0	32	-1.0	-58.52	301.35	6.13	-52.39
CC(=O)C1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209781	0	37	-1.0	-61.73	326.13	6.02	-55.71
CC1=CC=C(C)C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209782	0	38	-1.0	-59.61	314.75	6.86	-52.75
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1C	REAL300017209783	0	38	-1.0	-59.03	323.17	6.82	-52.21
C=CCCCS(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209784	0	35	-1.0	-62.85	303.37	5.45	-57.40
N#CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1F	REAL300017209785	0	33	-1.0	-57.40	310.75	6.03	-51.37
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CCC1CCOCC1	REAL300017209786	0	42	-1.0	-54.41	338.70	5.27	-49.14
CC1=CC(C)=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)S1	REAL300017209787	0	35	-1.0	-58.11	314.33	6.19	-51.92
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300017209788	0	41	-1.0	-57.89	349.00	7.20	-50.69
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300017209789	0	33	-1.0	-59.48	316.86	4.93	-54.55
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300017209790	0	38	-1.0	-65.54	339.66	7.22	-58.32
CN1C=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(C(F)(F)F)=N1	REAL300017209791	0	35	-1.0	-60.57	314.88	4.22	-56.35
CC1=CC=CC(C)=C1CS(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209792	0	41	-1.0	-62.99	337.46	7.59	-55.40
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=C(F)C=CS1	REAL300017209793	0	29	-1.0	-56.42	274.63	5.08	-51.34
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CCC1CCOC1	REAL300017209794	0	39	-1.0	-64.98	323.02	4.13	-60.85
COC(CS(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F)C1=CC=CC=C1	REAL300017209795	0	42	-1.0	-55.06	356.92	7.03	-48.03
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CC1CCCCC1(F)F	REAL300017209796	0	41	-1.0	-53.28	335.05	7.16	-46.12
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300017209797	0	42	-1.0	-60.58	363.00	6.40	-54.18
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CC1CC(F)(F)C1	REAL300017209798	0	35	-1.0	-40.98	305.88	5.09	-35.89
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300017209799	0	39	-1.0	-58.19	333.84	7.72	-50.47
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300017209800	0	40	-1.0	-58.08	345.69	6.56	-51.52
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300017209801	0	32	-1.0	-52.70	306.63	6.17	-46.53
CC(=O)C1=CC=CC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209802	0	37	-1.0	-70.14	325.11	5.99	-64.15
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(C)=C1	REAL300017209803	0	38	-1.0	-55.40	310.84	6.85	-48.55
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300017209804	0	32	-1.0	-47.76	300.34	6.93	-40.83
COC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1[N+](=O)[O-]	REAL300017209805	0	38	-1.0	-56.98	339.55	6.34	-50.64
CC(C)(C)C1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209806	0	44	-1.0	-58.05	360.42	7.92	-50.13
CC(C)C1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209807	0	41	-1.0	-58.18	344.44	7.53	-50.65
CCC(C)C1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209808	0	44	-1.0	-57.70	363.56	8.19	-49.51
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300017209809	0	32	-1.0	-49.66	288.95	6.84	-42.82
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(Cl)S1	REAL300017209810	0	29	-1.0	-40.57	285.07	4.66	-35.91
CCCC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209811	0	41	-1.0	-58.01	349.27	7.82	-50.19
COC1=CC=CC=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209812	0	36	-1.0	-60.28	307.65	5.48	-54.80
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017209813	0	32	-1.0	-55.61	297.11	6.01	-49.60
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300017209814	0	32	-1.0	-53.26	316.41	6.52	-46.74
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC=C1Cl	REAL300017209815	0	32	-1.0	-57.49	293.71	5.98	-51.51
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=C(F)C=CC=C1F	REAL300017209816	0	32	-1.0	-57.17	282.17	5.92	-51.25
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300017209817	0	31	-1.0	-52.50	296.74	4.24	-48.26
N#CC1=CC=CC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209818	0	33	-1.0	-61.63	305.45	6.00	-55.63
N#CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209819	0	33	-1.0	-56.57	305.70	5.99	-50.58
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300017209820	0	32	-1.0	-54.90	301.27	6.40	-48.50
N#CC1=CC=CC=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209821	0	33	-1.0	-64.12	285.76	5.94	-58.18
CC1=C(C)C(C)=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(C)=C1C	REAL300017209822	0	47	-1.0	-58.39	352.73	8.50	-49.89
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300017209823	0	41	-1.0	-58.12	346.86	5.55	-52.57
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1[N+](=O)[O-]	REAL300017209824	0	37	-1.0	-55.07	328.76	6.77	-48.30
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300017209825	0	35	-1.0	-54.44	323.63	6.60	-47.84
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300017209826	0	42	-1.0	-59.25	347.34	8.09	-51.16
COC1=CC=C(OC)C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209827	0	40	-1.0	-59.70	336.01	4.90	-54.80
COC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1OC	REAL300017209828	0	40	-1.0	-53.79	338.75	5.13	-48.66
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300017209829	0	39	-1.0	-52.77	325.17	7.58	-45.19
CC1=NOC(C)=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209830	0	34	-1.0	-50.85	290.19	4.47	-46.38
COC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(OC)=C1	REAL300017209831	0	40	-1.0	-57.92	335.98	4.90	-53.02
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300017209832	0	40	-1.0	-53.45	333.18	8.37	-45.08
CCC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209833	0	38	-1.0	-58.21	327.78	7.04	-51.17
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC(F)=CC=C1F	REAL300017209834	0	32	-1.0	-59.15	291.11	5.58	-53.57
COC1=CC=C(C)C=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209835	0	39	-1.0	-59.25	328.00	6.26	-52.99
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300017209836	0	40	-1.0	-59.01	344.70	4.78	-54.23
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300017209837	0	36	-1.0	-58.51	319.79	2.41	-56.10
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300017209838	0	37	-1.0	-50.30	321.67	4.11	-46.19
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300017209839	0	32	-1.0	-54.97	301.60	6.11	-48.86
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300017209840	0	34	-1.0	-53.78	313.11	6.27	-47.51
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300017209841	0	38	-1.0	-54.16	325.52	7.95	-46.21
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC=C1	REAL300017209842	0	32	-1.0	-59.23	284.62	5.61	-53.62
CC(=O)NC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209843	0	39	-1.0	-66.80	340.98	4.50	-62.30
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300017209844	0	34	-1.0	-45.46	308.00	6.62	-38.84
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209845	0	37	-1.0	-57.93	314.33	6.40	-51.53
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CS1	REAL300017209846	0	29	-1.0	-55.09	272.12	4.95	-50.14
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017209847	0	35	-1.0	-55.08	316.44	6.43	-48.65
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300017209848	0	35	-1.0	-62.08	308.96	6.26	-55.82
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CCC1CCCC1	REAL300017209849	0	41	-1.0	-62.51	333.67	6.74	-55.77
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CCC1CCCCC1	REAL300017209850	0	44	-1.0	-62.15	349.76	7.31	-54.84
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CNN=C1Cl	REAL300017209851	0	29	-1.0	-54.86	278.47	2.46	-52.40
CC1=CC2=CC=C(S(=O)(=O)N3C(C(=O)[O-])CCC3C(F)(F)F)C=C2C=C1	REAL300017209852	0	41	-1.0	-59.33	351.33	8.53	-50.80
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=C(Cl)C=CS1	REAL300017209853	0	29	-1.0	-52.59	284.82	5.66	-46.93
CC1=CSC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209854	0	32	-1.0	-54.88	293.76	5.62	-49.26
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300017209855	0	35	-1.0	-50.23	317.57	6.28	-43.95
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300017209856	0	38	-1.0	-62.54	331.93	7.87	-54.67
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300017209857	0	37	-1.0	-62.04	320.28	5.47	-56.57
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209858	0	40	-1.0	-46.42	324.71	6.54	-39.88
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300017209859	0	39	-1.0	-66.08	340.02	5.35	-60.73
COC1=CC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=CC=C1Cl	REAL300017209860	0	36	-1.0	-54.79	329.56	5.46	-49.33
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300017209861	0	35	-1.0	-42.55	306.43	2.41	-40.14
CC1=CC=CC(Cl)=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209862	0	35	-1.0	-43.04	300.09	6.39	-36.65
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300017209863	0	39	-1.0	-56.38	331.22	8.08	-48.30
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CCOCC1CCCC1	REAL300017209864	0	45	-1.0	-59.21	368.46	6.10	-53.11
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300017209865	0	37	-1.0	-45.64	300.24	5.43	-40.21
CC1=CC(F)=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(F)=C1	REAL300017209866	0	35	-1.0	-62.77	313.93	6.52	-56.25
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CCOCC1CC1	REAL300017209867	0	39	-1.0	-44.79	329.86	4.49	-40.30
N#CC1=CC=C(CS(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209868	0	36	-1.0	-53.47	326.13	7.10	-46.37
CN(C)C(=O)C1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209869	0	42	-1.0	-61.83	357.36	5.46	-56.37
COC1=CC=CC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209870	0	36	-1.0	-61.75	314.12	4.91	-56.84
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300017209871	0	35	-1.0	-43.05	319.31	6.41	-36.64
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017209872	0	32	-1.0	-58.90	301.43	6.04	-52.86
COC1=CC=C(F)C=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209873	0	36	-1.0	-56.11	312.95	5.67	-50.44
CCC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1[N+](=O)[O-]	REAL300017209874	0	40	-1.0	-55.77	346.49	7.45	-48.32
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300017209875	0	37	-1.0	-60.57	309.09	6.02	-54.55
CC(=O)NC1=NC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)S1	REAL300017209876	0	35	-1.0	-50.19	321.70	2.60	-47.59
COC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=N1	REAL300017209877	0	35	-1.0	-47.00	306.84	2.37	-44.63
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)O1	REAL300017209878	0	32	-1.0	-57.53	284.62	4.69	-52.84
C=C(C)CS(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209879	0	32	-1.0	-62.60	281.90	4.54	-58.06
CC1C(=O)NC2=CC=C(S(=O)(=O)N3C(C(=O)[O-])CCC3C(F)(F)F)C=C21	REAL300017209881	0	40	-1.0	-59.12	347.13	4.65	-54.47
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300017209882	0	38	-1.0	-57.91	334.75	2.84	-55.07
CC(C)CCC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209883	0	47	-1.0	-57.99	388.33	9.10	-48.89
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300017209884	0	37	-1.0	-51.79	315.60	5.51	-46.28
CN1C(=O)CC2=CC(S(=O)(=O)N3C(C(=O)[O-])CCC3C(F)(F)F)=CC=C21	REAL300017209885	0	40	-1.0	-52.10	342.52	6.09	-46.01
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300017209886	0	37	-1.0	-52.35	327.45	7.17	-45.18
CN1C(=O)OC2=CC(S(=O)(=O)N3C(C(=O)[O-])CCC3C(F)(F)F)=CC=C21	REAL300017209887	0	38	-1.0	-63.17	338.16	5.56	-57.61
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300017209888	0	32	-1.0	-53.48	295.76	5.62	-47.86
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)S1	REAL300017209889	0	32	-1.0	-54.93	296.22	5.82	-49.11
CCCCS(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209890	0	34	-1.0	-62.58	290.56	4.89	-57.69
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209891	0	42	-1.0	-57.26	345.63	5.03	-52.23
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017209892	0	29	-1.0	-53.69	302.20	5.61	-48.08
COC(=O)C1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209893	0	38	-1.0	-57.67	339.64	6.27	-51.40
CNC(=O)C1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209894	0	39	-1.0	-62.63	341.31	3.88	-58.75
NC(=O)C1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209895	0	36	-1.0	-62.74	319.38	2.39	-60.35
CCN(CC)S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209896	0	36	-1.0	-58.62	299.56	4.43	-54.19
COC(=O)C1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)S1	REAL300017209897	0	35	-1.0	-44.00	323.88	4.80	-39.20
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)N1CCCCCC1	REAL300017209898	0	40	-1.0	-58.90	316.89	5.53	-53.37
CCOC(=O)C1=CNN=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209899	0	38	-1.0	-67.22	333.41	4.53	-62.69
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CN=C1Cl	REAL300017209900	0	31	-1.0	-54.87	288.60	4.15	-50.72
CC1=CC2=CC=CC(S(=O)(=O)N3C(C(=O)[O-])CCC3C(F)(F)F)=C2N=C1	REAL300017209901	0	40	-1.0	-60.50	332.47	8.40	-52.10
COC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C([N+](=O)[O-])=C1	REAL300017209902	0	38	-1.0	-59.35	328.38	6.69	-52.66
COC1=CC(Cl)=CC=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209903	0	36	-1.0	-54.25	323.28	6.11	-48.14
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300017209904	0	37	-1.0	-65.02	335.70	7.02	-58.00
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)N1CCOCC1	REAL300017209905	0	35	-1.0	-56.62	294.68	2.37	-54.25
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CC1=CC=C(F)C=C1	REAL300017209906	0	35	-1.0	-52.88	311.69	6.77	-46.11
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(Cl)=C1	REAL300017209907	0	35	-1.0	-55.73	305.77	6.72	-49.01
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)N1CCCCC1	REAL300017209908	0	37	-1.0	-50.62	293.80	4.91	-45.71
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)N1CCCC1	REAL300017209909	0	34	-1.0	-54.48	282.07	4.16	-50.32
CC1=CC(F)=CC=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209910	0	35	-1.0	-56.03	302.41	6.28	-49.75
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300017209911	0	41	-1.0	-57.86	341.52	6.91	-50.95
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C2=CC=CN=C12	REAL300017209912	0	40	-1.0	-59.56	336.69	6.65	-52.91
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1C	REAL300017209913	0	40	-1.0	-73.50	341.10	8.30	-65.20
CC1CCN(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)CC1	REAL300017209914	0	40	-1.0	-56.65	324.59	5.40	-51.25
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300017209915	0	32	-1.0	-50.52	290.74	6.12	-44.40
N#CC1=CC=C(Cl)C=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209916	0	33	-1.0	-63.31	313.65	6.34	-56.97
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300017209917	0	42	-1.0	-61.43	342.66	8.89	-52.54
CC1CC(C)CN(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C1	REAL300017209918	0	43	-1.0	-57.82	343.44	5.84	-51.98
CCOC(=O)C1=CC=CC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209919	0	41	-1.0	-50.52	356.40	7.52	-43.00
CS(=O)(=O)CCCS(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209920	0	37	-1.0	-78.36	332.70	1.67	-76.69
COC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(C)=C1C	REAL300017209921	0	42	-1.0	-58.52	338.13	6.09	-52.43
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300017209922	0	37	-1.0	-51.40	320.61	6.06	-45.34
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209923	0	36	-1.0	-58.41	321.54	6.07	-52.34
CC1=CC(C#N)=CC=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209924	0	36	-1.0	-51.26	308.56	6.56	-44.70
N#CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(F)=C1	REAL300017209925	0	33	-1.0	-55.04	305.26	6.27	-48.77
COC(=O)C1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1C	REAL300017209926	0	41	-1.0	-55.97	354.80	6.78	-49.19
COC(=O)CCN(C)S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209927	0	39	-1.0	-54.98	330.16	4.63	-50.35
CN(C1CCOCC1)S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209928	0	41	-1.0	-49.41	321.90	3.78	-45.63
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)N1CC2CCC1C2	REAL300017209929	0	38	-1.0	-53.29	306.48	5.50	-47.79
CCN1N=C(C)C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1C	REAL300017209930	0	41	-1.0	-60.03	343.69	5.58	-54.45
CC(C)N1C=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=N1	REAL300017209931	0	38	-1.0	-45.90	321.26	3.96	-41.94
CC(C)CN1C=NC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209932	0	41	-1.0	-48.49	344.93	6.63	-41.86
CC(C)N1C=NC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209933	0	38	-1.0	-49.38	325.84	6.05	-43.33
CC(C)C1=NC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=CN1	REAL300017209934	0	38	-1.0	-56.46	325.00	4.95	-51.51
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209935	0	44	-1.0	-62.06	337.95	8.37	-53.69
CC1(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)CC1	REAL300017209936	0	32	-1.0	-63.21	276.35	5.00	-58.21
CC1=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(N)=NO1	REAL300017209937	0	33	-1.0	-44.87	287.08	3.65	-41.22
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300017209938	0	45	-1.0	-66.41	384.50	7.19	-59.22
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300017209939	0	36	-1.0	-62.71	317.15	5.56	-57.15
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300017209940	0	34	-1.0	-54.78	308.13	5.61	-49.17
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=N1	REAL300017209941	0	34	-1.0	-48.44	296.27	4.52	-43.92
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017209942	0	32	-1.0	-57.61	304.58	6.39	-51.22
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(Cl)=N1	REAL300017209943	0	34	-1.0	-54.42	310.23	4.76	-49.66
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209944	0	36	-1.0	-43.89	322.74	6.15	-37.74
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300017209945	0	31	-1.0	-51.35	301.91	4.29	-47.06
COC1=NC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1Cl	REAL300017209946	0	35	-1.0	-54.11	327.42	2.83	-51.28
CC(C)(C)CS(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209947	0	37	-1.0	-53.46	296.76	5.83	-47.63
CC1=CC(C)=CC(CS(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209948	0	41	-1.0	-46.26	345.40	7.22	-39.04
COCC1=CC=C(OC)C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209949	0	43	-1.0	-64.40	362.05	5.23	-59.17
CNC(=O)C1=CC=C(CS(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209950	0	42	-1.0	-60.38	361.76	4.98	-55.40
CC1=CC(F)=CC=C1CS(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209951	0	38	-1.0	-42.41	320.43	6.38	-36.03
CC1CC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)CCO1	REAL300017209952	0	39	-1.0	-60.27	321.93	4.57	-55.70
CC(COC1CCCC1)CS(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209953	0	48	-1.0	-63.83	384.54	6.99	-56.84
CCOCC(C)CS(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209954	0	41	-1.0	-63.89	339.59	4.93	-58.96
CC(CC#N)N(C)S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209955	0	37	-1.0	-60.00	309.65	4.89	-55.11
COCCN(CCC#N)S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209956	0	41	-1.0	-55.10	340.76	5.22	-49.88
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017209957	0	32	-1.0	-50.07	295.94	6.04	-44.03
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300017209958	0	37	-1.0	-51.13	321.21	6.27	-44.86
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CC1=CC=CC(F)=C1F	REAL300017209959	0	35	-1.0	-46.25	313.95	5.97	-40.28
CCN(CC(C)C#N)S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209960	0	40	-1.0	-54.73	318.52	5.78	-48.95
CC(C#N)CN(C)S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209961	0	37	-1.0	-52.36	314.53	5.17	-47.19
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CCC1=CC=CS1	REAL300017209962	0	35	-1.0	-53.55	317.01	6.58	-46.97
CC1=CC=C(CS(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1C	REAL300017209963	0	41	-1.0	-46.39	340.99	7.10	-39.29
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209964	0	42	-1.0	-60.81	355.48	4.50	-56.31
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300017209965	0	43	-1.0	-54.94	362.67	7.33	-47.61
N#CCC1(CS(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)CC1	REAL300017209966	0	36	-1.0	-52.29	313.98	5.83	-46.46
CN1N=NC=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209967	0	31	-1.0	-50.26	277.80	2.08	-48.18
CC1=CC=C(CS(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(F)=C1	REAL300017209968	0	38	-1.0	-47.07	329.32	6.61	-40.46
CC(C(=O)N(C)C)S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209969	0	38	-1.0	-70.02	320.28	4.06	-65.96
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300017209970	0	45	-1.0	-54.66	370.27	9.28	-45.38
CC(C)(C)C1=CC(CS(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=NO1	REAL300017209971	0	43	-1.0	-48.27	360.70	5.91	-42.36
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CCC1CCC1	REAL300017209972	0	38	-1.0	-62.26	317.29	6.19	-56.07
CC(C)(C)CCCS(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209973	0	43	-1.0	-62.65	345.80	6.58	-56.07
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300017209974	0	41	-1.0	-66.29	344.66	3.34	-62.95
CCCC1=CC=C(Cl)C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209975	0	41	-1.0	-59.75	356.46	8.22	-51.53
CC1=C(CCS(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)SC=N1	REAL300017209976	0	37	-1.0	-53.29	330.72	5.23	-48.06
COCC1(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)CC1	REAL300017209977	0	36	-1.0	-49.17	299.87	4.27	-44.90
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300017209978	0	38	-1.0	-61.61	321.51	7.72	-53.89
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300017209979	0	37	-1.0	-58.62	323.05	7.03	-51.59
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300017209980	0	42	-1.0	-58.65	359.06	9.02	-49.63
CC1=CC=C(F)C=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209981	0	35	-1.0	-53.48	292.46	5.79	-47.69
CCC(C)(C)C1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209982	0	47	-1.0	-57.90	374.64	8.39	-49.51
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1Cl	REAL300017209983	0	35	-1.0	-48.44	315.49	7.03	-41.41
CC(C)OC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209984	0	42	-1.0	-56.99	354.78	6.50	-50.49
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300017209985	0	32	-1.0	-51.22	303.51	5.80	-45.42
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C(F)=C1	REAL300017209986	0	35	-1.0	-60.08	305.96	6.56	-53.52
CC1=CC=CC=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209987	0	35	-1.0	-51.95	286.61	5.73	-46.22
CC1=NC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=CN1C	REAL300017209988	0	35	-1.0	-55.21	301.93	4.03	-51.18
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017209989	0	32	-1.0	-47.59	291.88	6.14	-41.45
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300017209990	0	33	-1.0	-64.30	299.91	4.38	-59.92
CC1=CC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=CC=C1F	REAL300017209991	0	35	-1.0	-55.03	310.77	6.30	-48.73
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300017209992	0	37	-1.0	-69.46	318.57	6.69	-62.77
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300017209993	0	32	-1.0	-50.60	295.32	6.51	-44.09
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209994	0	38	-1.0	-38.65	320.95	6.05	-32.60
CC1=CC=C(F)C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209995	0	35	-1.0	-62.38	306.12	6.18	-56.20
COC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1F	REAL300017209996	0	36	-1.0	-55.95	319.77	4.97	-50.98
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1F	REAL300017209997	0	35	-1.0	-47.96	306.75	6.63	-41.33
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017209998	0	32	-1.0	-57.25	299.53	5.97	-51.28
CN1C=NC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209999	0	32	-1.0	-49.43	284.41	4.76	-44.67
O=C([O-])C1CCC(C(F)(F)F)N1S(=O)(=O)C1=CC=CN=C1	REAL300017210000	0	31	-1.0	-53.36	274.69	3.81	-49.55
CC1=CC=C(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1F	REAL300017211004	0	36	-1.0	-66.76	316.79	3.09	-63.67
N#CCC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211005	0	34	-1.0	-68.83	308.87	2.77	-66.06
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC(F)=C1F	REAL300017211006	0	36	-1.0	-45.66	329.35	1.50	-44.16
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017211007	0	42	-1.0	-49.29	344.21	2.11	-47.18
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017211008	0	48	-1.0	-60.03	353.60	3.26	-56.77
CC1=NC2=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=CC=C2C=C1	REAL300017211009	0	38	-1.0	-70.23	321.79	3.14	-67.09
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017211010	0	38	-1.0	-52.03	329.00	2.73	-49.30
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017211011	0	41	-1.0	-59.28	343.79	0.16	-59.12
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211012	0	44	-1.0	-67.57	385.13	2.44	-65.13
CCCN1C=NC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211013	0	36	-1.0	-49.96	307.91	1.25	-48.71
N#CC1=CC(F)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Br	REAL300017211014	0	31	-1.0	-56.20	310.36	2.12	-54.08
N#CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=CS1	REAL300017211015	0	28	-1.0	-61.03	272.31	0.50	-60.53
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1CCC(F)CC1	REAL300017211016	0	39	-1.0	-64.98	313.77	2.77	-62.21
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1Cl	REAL300017211017	0	33	-1.0	-45.70	295.55	1.74	-43.96
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017211018	0	36	-1.0	-62.71	308.18	1.63	-61.08
CC1=CSC(C2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C2)=N1	REAL300017211019	0	39	-1.0	-53.61	349.97	2.23	-51.38
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1F	REAL300017211020	0	36	-1.0	-58.21	339.58	2.34	-55.87
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211021	0	39	-1.0	-65.69	342.86	2.80	-62.89
CC1=C(Br)C=CC=C1CS(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211022	0	36	-1.0	-64.35	323.83	3.46	-60.89
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017211023	0	33	-1.0	-62.77	309.90	2.90	-59.87
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017211024	0	30	-1.0	-44.92	301.78	1.87	-43.05
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211025	0	37	-1.0	-73.57	322.52	-0.97	-74.54
CCCCCCCCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211026	0	55	-1.0	-60.09	446.96	6.53	-53.56
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211027	0	45	-1.0	-51.76	373.62	3.09	-48.67
CCC1CCN(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1	REAL300017211028	0	41	-1.0	-60.30	326.18	1.75	-58.55
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017211029	0	36	-1.0	-62.86	317.97	3.21	-59.65
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300017211030	0	36	-1.0	-48.30	314.97	2.36	-45.94
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017211031	0	36	-1.0	-47.54	323.27	2.74	-44.80
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211032	0	34	-1.0	-61.30	319.19	1.84	-59.46
COC1=CC2=C(C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])C(=O)NCCC2	REAL300017211033	0	45	-1.0	-76.58	366.10	0.56	-76.02
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])S2)C1	REAL300017211034	0	41	-1.0	-62.09	356.95	2.09	-60.00
CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017211035	0	37	-1.0	-63.46	344.67	4.00	-59.46
COC1CCN(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1	REAL300017211036	0	39	-1.0	-62.73	319.06	-0.49	-63.22
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017211037	0	33	-1.0	-62.22	313.12	3.01	-59.21
CCC(C)OC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211038	0	43	-1.0	-54.61	350.19	2.31	-52.30
CC(CC(F)(F)F)CS(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211039	0	35	-1.0	-65.34	301.49	1.81	-63.53
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017211040	0	37	-1.0	-73.48	332.02	3.27	-70.21
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=C2)=N1	REAL300017211041	0	42	-1.0	-68.21	353.65	1.05	-67.16
COC1=CC(F)=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211042	0	34	-1.0	-61.61	298.57	1.24	-60.37
COC(=O)C1=C(C)C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])O1	REAL300017211043	0	36	-1.0	-53.77	319.81	0.89	-52.88
CCC1=NC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CN1CC1CC1	REAL300017211044	0	43	-1.0	-70.93	366.34	3.61	-67.32
CC(=O)N1CC2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C2C1	REAL300017211045	0	41	-1.0	-50.48	343.87	1.15	-49.33
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017211046	0	33	-1.0	-58.81	306.37	1.10	-57.71
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017211047	0	33	-1.0	-69.42	315.72	1.40	-68.02
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300017211048	0	49	-1.0	-49.07	391.02	3.68	-45.39
CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017211049	0	38	-1.0	-56.24	321.99	3.71	-52.53
CN1N=CC(C2CC2)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211050	0	37	-1.0	-57.14	314.68	1.15	-55.99
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017211051	0	43	-1.0	-62.26	370.03	3.89	-58.37
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017211052	0	44	-1.0	-45.93	377.56	4.00	-41.93
COC(CS(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300017211053	0	40	-1.0	-48.43	334.90	2.13	-46.30
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017211054	0	42	-1.0	-50.67	344.09	2.08	-48.59
COC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Cl	REAL300017211055	0	38	-1.0	-50.69	341.99	-0.46	-51.15
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=CC=C12	REAL300017211056	0	42	-1.0	-61.16	352.09	4.03	-57.13
COC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C	REAL300017211057	0	41	-1.0	-57.80	344.80	-0.27	-58.07
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017211058	0	39	-1.0	-62.74	314.43	2.91	-59.83
CCOC1(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CCOCC1	REAL300017211059	0	44	-1.0	-68.24	345.28	0.44	-67.80
CCOC(CS(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])C1CC1	REAL300017211060	0	40	-1.0	-65.81	334.95	1.52	-64.29
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1F	REAL300017211061	0	36	-1.0	-58.41	329.25	1.90	-56.51
CC(=O)N1CCC2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=C(Cl)C=C21	REAL300017211062	0	41	-1.0	-64.20	351.72	3.01	-61.19
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211063	0	33	-1.0	-54.46	309.10	-0.06	-54.52
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017211064	0	41	-1.0	-53.31	360.67	4.74	-48.57
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211065	0	33	-1.0	-59.26	300.53	2.79	-56.47
CC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1Br	REAL300017211066	0	33	-1.0	-60.05	293.22	2.65	-57.40
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211067	0	36	-1.0	-74.96	327.63	2.14	-72.82
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017211068	0	38	-1.0	-58.50	324.82	-0.64	-59.14
COC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211069	0	34	-1.0	-50.07	314.54	0.68	-49.39
COC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017211070	0	36	-1.0	-45.37	315.61	1.39	-43.98
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211071	0	36	-1.0	-64.43	314.42	2.95	-61.48
COCCN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=N1	REAL300017211072	0	37	-1.0	-58.34	326.38	-0.76	-59.10
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211073	0	43	-1.0	-46.46	347.75	1.97	-44.49
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017211074	0	37	-1.0	-65.67	330.98	2.14	-63.53
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017211075	0	38	-1.0	-65.18	339.78	3.82	-61.36
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017211076	0	30	-1.0	-42.55	290.72	1.40	-41.15
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017211077	0	33	-1.0	-67.89	302.96	2.38	-65.51
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017211078	0	37	-1.0	-80.00	331.24	-0.53	-80.53
CCN1C(=O)OC2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C21	REAL300017211079	0	39	-1.0	-65.69	342.54	2.56	-63.13
CC1=C(Br)C=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211080	0	33	-1.0	-58.13	291.48	2.65	-55.48
COCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211081	0	37	-1.0	-63.95	313.97	1.59	-62.36
COC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1Br	REAL300017211082	0	34	-1.0	-45.50	310.00	0.61	-44.89
CS(=O)(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C(Cl)S1	REAL300017211083	0	33	-1.0	-64.29	328.29	-1.51	-65.80
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017211084	0	33	-1.0	-64.39	310.57	0.69	-63.70
CC1(C)CC2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C2O1	REAL300017211085	0	41	-1.0	-49.27	337.50	1.88	-47.39
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1F	REAL300017211086	0	38	-1.0	-46.86	339.05	-2.58	-49.44
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1F	REAL300017211087	0	41	-1.0	-47.68	364.13	-1.58	-49.26
CCC(=O)NCC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1OC	REAL300017211088	0	47	-1.0	-48.57	391.01	-0.19	-48.76
CCC1=CC=C(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211089	0	39	-1.0	-65.01	332.94	3.81	-61.20
COC1=CC=C(Br)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211090	0	34	-1.0	-62.68	306.51	1.18	-61.50
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017211091	0	45	-1.0	-45.11	373.80	1.08	-44.03
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211092	0	39	-1.0	-70.46	350.74	-0.27	-70.73
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017211093	0	32	-1.0	-45.29	308.36	0.55	-44.74
CC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1Br	REAL300017211094	0	35	-1.0	-47.62	322.75	1.86	-45.76
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211095	0	35	-1.0	-72.40	317.22	2.24	-70.16
N#CC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211096	0	31	-1.0	-45.89	305.87	1.76	-44.13
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Br	REAL300017211097	0	37	-1.0	-46.05	335.47	1.65	-44.40
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017211098	0	44	-1.0	-68.02	383.54	1.08	-66.94
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017211099	0	33	-1.0	-68.30	301.85	2.33	-65.97
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211100	0	43	-1.0	-58.36	376.27	2.80	-55.56
CC1(C)CN(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CCO1	REAL300017211101	0	39	-1.0	-47.45	308.53	-0.94	-48.39
COC1=C(C)C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C	REAL300017211102	0	40	-1.0	-59.70	340.21	2.48	-57.22
CC(C)CCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211103	0	46	-1.0	-60.06	378.53	3.92	-56.14
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017211104	0	44	-1.0	-51.32	357.83	2.95	-48.37
CC(C)COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211105	0	43	-1.0	-60.30	359.57	3.32	-56.98
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211106	0	40	-1.0	-60.28	339.48	2.62	-57.66
COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Cl	REAL300017211107	0	34	-1.0	-44.66	305.61	0.50	-44.16
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017211108	0	34	-1.0	-49.44	318.98	0.87	-48.57
COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C	REAL300017211109	0	37	-1.0	-48.48	309.70	0.69	-47.79
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300017211110	0	43	-1.0	-48.67	349.43	2.24	-46.43
COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C)=C1	REAL300017211111	0	37	-1.0	-61.25	304.15	1.26	-59.99
COCCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211112	0	41	-1.0	-63.19	351.59	1.09	-62.10
COCCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C	REAL300017211113	0	44	-1.0	-49.62	365.13	0.88	-48.74
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=CC=C1F	REAL300017211114	0	33	-1.0	-66.11	296.59	2.31	-63.80
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211115	0	41	-1.0	-49.97	350.84	0.31	-49.66
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017211116	0	45	-1.0	-65.42	374.83	0.79	-64.63
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211117	0	40	-1.0	-51.65	331.16	0.49	-51.16
CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(Br)=C1	REAL300017211118	0	33	-1.0	-60.16	298.50	2.55	-57.61
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211119	0	36	-1.0	-68.00	335.15	-0.72	-68.72
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211120	0	36	-1.0	-73.48	331.73	3.32	-70.16
N#CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Cl	REAL300017211121	0	31	-1.0	-40.12	296.29	1.45	-38.67
CC1=CC(Br)=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211122	0	33	-1.0	-58.07	296.04	2.57	-55.50
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1C	REAL300017211123	0	38	-1.0	-79.49	316.44	3.67	-75.82
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211124	0	36	-1.0	-66.35	329.25	2.41	-63.94
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211125	0	39	-1.0	-74.00	336.38	-0.53	-74.53
N#CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C(F)(F)F)=C1	REAL300017211126	0	34	-1.0	-66.88	317.20	3.02	-63.86
N#CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1Cl	REAL300017211127	0	31	-1.0	-41.23	299.93	1.55	-39.68
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211128	0	46	-1.0	-64.69	379.93	3.01	-61.68
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017211129	0	42	-1.0	-62.42	375.63	-0.56	-62.98
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211130	0	38	-1.0	-54.09	340.37	-3.08	-57.17
CC(=O)NCCC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300017211131	0	40	-1.0	-68.58	362.73	0.53	-68.05
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])O1	REAL300017211132	0	33	-1.0	-55.21	306.16	0.40	-54.81
CC1=NC(C)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300017211133	0	32	-1.0	-61.90	295.95	-0.06	-61.96
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017211134	0	32	-1.0	-76.75	288.79	2.48	-74.27
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017211135	0	33	-1.0	-64.28	324.75	3.29	-60.99
CCOC(=O)C1=C(C)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C(C)N1	REAL300017211136	0	43	-1.0	-44.57	352.55	1.17	-43.40
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017211137	0	30	-1.0	-63.08	287.84	2.21	-60.87
CC1=NC(C2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])S2)=CS1	REAL300017211138	0	36	-1.0	-48.99	339.15	1.25	-47.74
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017211139	0	50	-1.0	-60.17	401.21	5.22	-54.95
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300017211140	0	40	-1.0	-47.88	357.41	0.23	-47.65
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211141	0	39	-1.0	-70.51	328.25	2.78	-67.73
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017211142	0	32	-1.0	-72.97	304.71	3.78	-69.19
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1OC	REAL300017211143	0	38	-1.0	-60.80	328.65	0.44	-60.36
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1OC	REAL300017211144	0	41	-1.0	-64.79	334.24	1.15	-63.64
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017211145	0	32	-1.0	-58.94	311.84	3.89	-55.05
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211146	0	38	-1.0	-69.98	324.78	3.16	-66.82
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017211147	0	33	-1.0	-59.98	298.64	1.45	-58.53
CN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(N)=O	REAL300017211148	0	35	-1.0	-62.66	308.55	-2.22	-64.88
CC1=CC(Cl)=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211149	0	33	-1.0	-58.21	291.47	2.45	-55.76
CCOC(=O)C1CCCN1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211150	0	41	-1.0	-72.84	343.91	2.16	-70.68
CNC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CN1C	REAL300017211151	0	38	-1.0	-62.15	330.55	-0.73	-62.88
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C)=C1	REAL300017211152	0	40	-1.0	-58.65	320.11	2.30	-56.35
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300017211153	0	38	-1.0	-65.00	334.33	0.93	-64.07
COC(=O)C1=CC=C(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211154	0	39	-1.0	-65.92	344.85	3.03	-62.89
COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1	REAL300017211155	0	41	-1.0	-63.55	341.78	1.12	-62.43
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017211156	0	41	-1.0	-63.18	342.09	1.73	-61.45
COC(=O)C1=CC=CC(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211157	0	39	-1.0	-67.28	344.86	3.03	-64.25
CCOC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])O1	REAL300017211158	0	36	-1.0	-54.94	328.02	1.33	-53.61
COC(=O)CCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211159	0	43	-1.0	-62.64	373.43	2.67	-59.97
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C	REAL300017211160	0	40	-1.0	-62.80	323.06	2.16	-60.64
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017211161	0	34	-1.0	-46.84	298.46	1.01	-45.83
CCOC(=O)CCCS(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211162	0	38	-1.0	-70.76	328.97	1.85	-68.91
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017211163	0	33	-1.0	-66.37	296.81	3.07	-63.30
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017211164	0	32	-1.0	-72.61	309.27	3.88	-68.73
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211165	0	35	-1.0	-49.04	292.51	2.56	-46.48
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017211166	0	32	-1.0	-52.40	305.32	2.56	-49.84
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(Br)C=CS1	REAL300017211167	0	27	-1.0	-63.21	279.38	1.10	-62.11
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017211168	0	34	-1.0	-57.77	298.08	1.82	-55.95
CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300017211169	0	38	-1.0	-52.67	306.58	1.75	-50.92
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017211170	0	32	-1.0	-66.35	301.77	1.02	-65.33
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300017211171	0	38	-1.0	-60.74	329.00	0.73	-60.01
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017211172	0	29	-1.0	-53.51	289.57	0.66	-52.85
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017211173	0	32	-1.0	-54.43	298.20	1.90	-52.53
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017211174	0	32	-1.0	-44.60	304.45	1.77	-42.83
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211175	0	39	-1.0	-67.53	345.72	0.12	-67.41
CCN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017211176	0	35	-1.0	-75.02	319.38	2.29	-72.73
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017211177	0	32	-1.0	-78.49	299.72	2.78	-75.71
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017211178	0	32	-1.0	-49.04	298.35	1.48	-47.56
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017211179	0	37	-1.0	-60.60	337.54	2.28	-58.32
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017211180	0	32	-1.0	-72.87	309.32	3.88	-68.99
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017211181	0	44	-1.0	-61.77	377.88	4.87	-56.90
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(F)=C1	REAL300017211182	0	38	-1.0	-67.00	347.19	-2.14	-69.14
CCC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211183	0	38	-1.0	-49.75	323.21	1.92	-47.83
CCOC(=O)N1CCN(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1	REAL300017211184	0	43	-1.0	-61.70	354.87	0.43	-61.27
COC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017211185	0	39	-1.0	-63.68	342.29	2.68	-61.00
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017211186	0	40	-1.0	-63.67	352.60	3.19	-60.48
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017211187	0	33	-1.0	-74.60	296.45	0.48	-74.12
CC(C)CCN(CCC(C)C)S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211188	0	52	-1.0	-46.96	397.47	3.73	-43.23
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211189	0	38	-1.0	-64.98	342.28	-2.00	-66.98
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300017211190	0	33	-1.0	-63.70	296.46	2.44	-61.26
CS(=O)(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1F	REAL300017211191	0	36	-1.0	-50.69	325.23	-1.81	-52.50
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300017211192	0	43	-1.0	-63.13	351.77	3.96	-59.17
CCOC1=CC=C(C)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211193	0	40	-1.0	-67.18	334.82	2.74	-64.44
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017211194	0	35	-1.0	-49.39	308.42	0.82	-48.57
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017211195	0	37	-1.0	-51.39	324.73	1.80	-49.59
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017211196	0	32	-1.0	-39.10	304.54	1.77	-37.33
N#CC1=C(F)C=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211197	0	31	-1.0	-59.76	283.38	1.76	-58.00
CCOCCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211198	0	44	-1.0	-63.13	373.45	2.06	-61.07
CCCCCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211199	0	46	-1.0	-60.16	382.46	4.18	-55.98
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017211200	0	32	-1.0	-74.72	294.58	2.95	-71.77
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1F	REAL300017211201	0	36	-1.0	-45.56	323.02	1.42	-44.14
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300017211202	0	36	-1.0	-55.83	341.77	2.79	-53.04
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211203	0	40	-1.0	-73.31	346.81	1.83	-71.48
COC(=O)CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300017211204	0	36	-1.0	-65.38	335.98	2.22	-63.16
COC(=O)C1=CSC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211205	0	33	-1.0	-65.58	316.63	0.97	-64.61
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211206	0	42	-1.0	-64.43	347.46	3.18	-61.25
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1Cl	REAL300017211207	0	36	-1.0	-45.14	331.00	1.79	-43.35
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1C	REAL300017211208	0	39	-1.0	-50.90	330.88	1.83	-49.07
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211209	0	36	-1.0	-67.54	324.70	1.88	-65.66
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017211210	0	40	-1.0	-66.81	322.49	4.15	-62.66
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017211211	0	36	-1.0	-66.92	314.76	3.39	-63.53
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300017211212	0	29	-1.0	-56.67	284.90	0.12	-56.55
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017211213	0	34	-1.0	-56.56	323.00	3.06	-53.50
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300017211214	0	35	-1.0	-47.82	296.18	-0.06	-47.88
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017211215	0	35	-1.0	-55.95	317.27	-2.94	-58.89
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C2S1	REAL300017211216	0	44	-1.0	-50.76	373.14	2.59	-48.17
COC(=O)CC1(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1	REAL300017211217	0	39	-1.0	-53.28	329.20	1.37	-51.91
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211218	0	35	-1.0	-51.77	319.13	0.94	-50.83
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C(F)C=C1F	REAL300017211219	0	33	-1.0	-56.06	294.55	2.22	-53.84
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211220	0	37	-1.0	-65.90	331.64	2.34	-63.56
CC(C)N1N=CC2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C21	REAL300017211221	0	42	-1.0	-61.12	357.33	3.14	-57.98
CCCCCCN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(=O)NC1=O	REAL300017211222	0	48	-1.0	-57.82	401.96	1.98	-55.84
CC1=CN(C2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C2F)N=C1	REAL300017211223	0	40	-1.0	-49.76	343.68	2.50	-47.26
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300017211224	0	37	-1.0	-64.63	344.47	0.81	-63.82
CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211225	0	37	-1.0	-70.77	330.16	-3.60	-74.37
CC1=CC(F)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1F	REAL300017211226	0	33	-1.0	-60.81	296.65	1.93	-58.88
CC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017211227	0	35	-1.0	-58.88	320.32	3.11	-55.77
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(Br)O1	REAL300017211228	0	27	-1.0	-54.49	271.00	0.32	-54.17
CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300017211229	0	36	-1.0	-58.50	323.37	2.71	-55.79
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017211230	0	27	-1.0	-55.33	287.13	1.63	-53.70
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017211231	0	33	-1.0	-59.26	313.95	2.81	-56.45
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017211232	0	33	-1.0	-58.81	324.25	3.25	-55.56
CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017211233	0	36	-1.0	-51.26	326.49	3.47	-47.79
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017211234	0	33	-1.0	-63.57	315.42	3.25	-60.32
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017211235	0	36	-1.0	-52.57	310.09	3.60	-48.97
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017211236	0	36	-1.0	-69.69	318.60	4.03	-65.66
CN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017211237	0	41	-1.0	-63.12	371.29	0.58	-62.54
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CN1C	REAL300017211238	0	40	-1.0	-68.59	349.63	2.65	-65.94
CCOC(=O)C1CC2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C2O1	REAL300017211239	0	44	-1.0	-51.66	373.58	2.87	-48.79
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1F	REAL300017211240	0	36	-1.0	-48.75	325.18	-1.81	-50.56
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211241	0	39	-1.0	-68.53	359.19	0.97	-67.56
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211242	0	43	-1.0	-66.54	374.04	3.17	-63.37
CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300017211243	0	36	-1.0	-63.27	326.59	3.74	-59.53
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017211244	0	41	-1.0	-69.75	366.30	-1.29	-71.04
N#CC1=CC(F)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(F)=C1	REAL300017211245	0	31	-1.0	-46.44	290.49	1.37	-45.07
CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1N(C)C	REAL300017211246	0	41	-1.0	-49.50	333.60	1.26	-48.24
CN1C(Cl)=NC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211247	0	30	-1.0	-52.74	281.60	0.53	-52.21
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211248	0	35	-1.0	-63.66	314.21	3.18	-60.48
CSC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Cl	REAL300017211249	0	34	-1.0	-44.42	315.29	2.12	-42.30
CN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])N=C1Cl	REAL300017211250	0	30	-1.0	-59.84	286.75	0.44	-59.40
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211251	0	33	-1.0	-78.03	305.03	1.59	-76.44
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017211252	0	42	-1.0	-62.32	367.37	4.14	-58.18
CN(C)C1=CC=C(Br)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211253	0	38	-1.0	-63.24	327.85	2.33	-60.91
CC1=NN2C=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=NC2=C1Cl	REAL300017211254	0	35	-1.0	-56.84	328.67	1.43	-55.41
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211255	0	36	-1.0	-73.96	331.74	3.31	-70.65
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211256	0	42	-1.0	-62.38	343.27	2.00	-60.38
CCC1=NOC2=NC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C12	REAL300017211257	0	37	-1.0	-51.74	321.34	-1.76	-53.50
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017211258	0	35	-1.0	-40.81	316.80	2.08	-38.73
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211259	0	36	-1.0	-72.85	322.94	3.00	-69.85
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017211260	0	33	-1.0	-71.43	295.32	0.32	-71.11
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017211261	0	33	-1.0	-63.93	324.71	3.34	-60.59
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211262	0	38	-1.0	-76.74	341.90	-0.19	-76.93
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017211263	0	29	-1.0	-54.13	285.60	0.55	-53.58
COC(=O)C1CCCCC1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211264	0	42	-1.0	-73.31	328.56	2.81	-70.50
COC(=O)C1(C2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300017211265	0	43	-1.0	-63.23	364.96	4.23	-59.00
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300017211266	0	37	-1.0	-52.40	306.39	0.54	-51.86
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211267	0	34	-1.0	-63.77	326.44	3.02	-60.75
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017211268	0	36	-1.0	-56.56	335.21	-0.31	-56.87
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211269	0	34	-1.0	-61.59	319.18	1.84	-59.75
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017211270	0	39	-1.0	-57.41	325.78	3.98	-53.43
CCC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C(C(=O)OC)O1	REAL300017211271	0	39	-1.0	-57.03	339.39	1.61	-55.42
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017211272	0	47	-1.0	-67.43	377.60	3.31	-64.12
COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C)=C1F	REAL300017211273	0	37	-1.0	-58.74	310.13	1.28	-57.46
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017211274	0	50	-1.0	-63.14	386.54	3.24	-59.90
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017211275	0	44	-1.0	-69.50	360.67	1.90	-67.60
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017211276	0	41	-1.0	-67.12	366.06	2.47	-64.65
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211277	0	38	-1.0	-70.98	343.21	3.47	-67.51
N#CC1(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CCCCC1	REAL300017211278	0	40	-1.0	-69.50	321.31	2.51	-66.99
CC1(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CCCCC1	REAL300017211279	0	42	-1.0	-66.13	317.40	3.01	-63.12
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017211280	0	39	-1.0	-61.68	327.13	3.00	-58.68
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017211281	0	33	-1.0	-59.36	304.57	0.52	-58.84
COC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1F	REAL300017211282	0	34	-1.0	-45.37	295.80	0.02	-45.35
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211283	0	41	-1.0	-66.23	344.90	2.06	-64.17
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211284	0	44	-1.0	-68.32	376.25	2.79	-65.53
CC(C)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211285	0	39	-1.0	-64.19	312.74	3.10	-61.09
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017211286	0	44	-1.0	-64.92	375.32	4.97	-59.95
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C2O1	REAL300017211287	0	45	-1.0	-51.26	387.36	3.43	-47.83
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211288	0	42	-1.0	-71.46	352.26	3.53	-67.93
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017211289	0	30	-1.0	-52.33	294.45	2.51	-49.82
CC1=C(Cl)SC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211290	0	30	-1.0	-56.28	297.66	1.52	-54.76
COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(F)=C1	REAL300017211291	0	34	-1.0	-60.53	299.45	0.52	-60.01
CC1=CC=C(C)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300017211292	0	38	-1.0	-66.13	319.87	4.72	-61.41
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017211293	0	36	-1.0	-63.87	329.71	3.07	-60.80
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017211294	0	40	-1.0	-54.51	347.39	4.32	-50.19
COC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211295	0	38	-1.0	-62.51	333.82	-0.19	-62.70
CN(C)C1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211296	0	38	-1.0	-64.12	320.08	1.71	-62.41
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017211297	0	36	-1.0	-62.33	312.33	2.11	-60.22
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017211299	0	33	-1.0	-69.72	302.75	2.24	-67.48
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017211300	0	33	-1.0	-54.87	322.39	3.12	-51.75
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017211301	0	33	-1.0	-56.31	308.71	2.23	-54.08
CC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211302	0	33	-1.0	-60.16	309.31	2.88	-57.28
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211303	0	41	-1.0	-72.84	350.99	0.48	-72.36
CSC1=CC=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211304	0	34	-1.0	-65.60	297.14	2.14	-63.46
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211305	0	41	-1.0	-87.22	349.74	1.09	-86.13
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017211306	0	42	-1.0	-50.07	355.67	0.50	-49.57
COC1=C(F)C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017211307	0	36	-1.0	-50.57	327.24	1.58	-48.99
COC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017211308	0	40	-1.0	-45.99	351.06	-0.04	-46.03
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(OC)=C1	REAL300017211309	0	40	-1.0	-62.24	346.85	1.83	-60.41
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211310	0	33	-1.0	-59.05	300.51	2.80	-56.25
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017211311	0	38	-1.0	-68.28	317.51	3.33	-64.95
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017211312	0	38	-1.0	-73.05	329.94	2.90	-70.15
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017211313	0	36	-1.0	-70.33	306.13	-1.98	-72.31
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C21	REAL300017211314	0	40	-1.0	-51.55	340.33	1.56	-49.99
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017211315	0	35	-1.0	-66.23	314.90	1.78	-64.45
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(F)=C1	REAL300017211316	0	34	-1.0	-50.33	299.21	0.27	-50.06
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C)=C1	REAL300017211317	0	40	-1.0	-60.92	326.01	2.18	-58.74
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211318	0	38	-1.0	-69.52	345.18	-2.52	-72.04
CS(=O)(=O)CCS(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211319	0	32	-1.0	-69.11	293.78	-3.10	-72.21
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211320	0	39	-1.0	-61.67	326.78	3.04	-58.63
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017211321	0	34	-1.0	-63.72	299.82	1.73	-61.99
CSC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211322	0	34	-1.0	-60.61	306.82	2.62	-57.99
CCCOC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211323	0	42	-1.0	-60.44	366.84	3.67	-56.77
CCC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211324	0	40	-1.0	-63.89	343.27	1.30	-62.59
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017211325	0	36	-1.0	-63.72	328.77	3.36	-60.36
CCN(CC1=CC=CC=C1)S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211326	0	41	-1.0	-63.51	338.17	3.48	-60.03
CCN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])N=C1C	REAL300017211327	0	36	-1.0	-56.01	308.93	0.80	-55.21
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017211328	0	29	-1.0	-53.00	285.28	0.49	-52.51
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017211329	0	36	-1.0	-65.46	306.74	0.95	-64.51
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017211330	0	35	-1.0	-61.91	296.65	1.78	-60.13
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017211331	0	42	-1.0	-62.60	360.34	3.58	-59.02
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017211332	0	30	-1.0	-58.95	274.17	1.58	-57.37
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017211333	0	30	-1.0	-60.56	291.27	1.85	-58.71
CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300017211334	0	36	-1.0	-61.89	321.02	3.12	-58.77
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017211335	0	36	-1.0	-56.33	338.10	1.88	-54.45
CC1=NN(C)C2=NC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C12	REAL300017211336	0	38	-1.0	-53.84	330.04	0.38	-53.46
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017211337	0	33	-1.0	-67.41	317.84	2.94	-64.47
CC1=NOC2=NC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C12	REAL300017211338	0	34	-1.0	-55.49	306.37	-1.42	-56.91
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017211339	0	39	-1.0	-51.24	345.30	3.59	-47.65
COCC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211340	0	37	-1.0	-65.08	323.64	1.03	-64.05
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017211341	0	32	-1.0	-62.31	305.31	2.55	-59.76
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C(C(=O)OC)S1	REAL300017211342	0	39	-1.0	-69.77	366.46	2.26	-67.51
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211343	0	36	-1.0	-73.56	321.40	2.87	-70.69
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017211344	0	33	-1.0	-64.56	304.75	2.72	-61.84
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017211345	0	42	-1.0	-70.63	360.36	-0.74	-71.37
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017211346	0	37	-1.0	-64.44	336.05	2.16	-62.28
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017211347	0	30	-1.0	-59.03	295.85	2.38	-56.65
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CN=C21	REAL300017211348	0	38	-1.0	-55.65	335.96	-0.91	-56.56
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1F	REAL300017211379	0	39	-1.0	-50.04	341.25	2.25	-47.79
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017211380	0	38	-1.0	-74.13	330.50	2.20	-71.93
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017211381	0	30	-1.0	-59.87	280.95	1.82	-58.05
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211382	0	49	-1.0	-72.36	367.96	4.88	-67.48
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017211383	0	33	-1.0	-64.40	318.35	3.17	-61.23
N#CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(Cl)=C1	REAL300017211384	0	31	-1.0	-56.42	295.28	2.14	-54.28
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Cl	REAL300017211385	0	37	-1.0	-60.99	340.08	0.74	-60.25
CC1CC2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C2O1	REAL300017211386	0	38	-1.0	-60.55	323.46	2.19	-58.36
COC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Cl	REAL300017211387	0	34	-1.0	-58.90	319.91	1.61	-57.29
CCC1=CC=CC(CC)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211388	0	42	-1.0	-45.42	312.81	3.41	-42.01
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211389	0	42	-1.0	-51.83	344.70	-0.61	-52.44
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CS1	REAL300017211390	0	33	-1.0	-65.80	313.90	1.28	-64.52
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211391	0	39	-1.0	-71.51	351.32	4.02	-67.49
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017211392	0	41	-1.0	-59.79	372.03	4.96	-54.83
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017211393	0	36	-1.0	-50.28	330.53	1.48	-48.80
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017211394	0	36	-1.0	-56.35	348.42	2.33	-54.02
COC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1C	REAL300017211395	0	39	-1.0	-59.79	322.98	2.65	-57.14
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017211396	0	32	-1.0	-49.55	313.24	2.03	-47.52
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211397	0	34	-1.0	-55.86	321.06	1.83	-54.03
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211398	0	42	-1.0	-58.19	343.79	2.12	-56.07
CCOC(=O)N1CCC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1	REAL300017211399	0	44	-1.0	-68.92	358.59	1.46	-67.46
CC1=NC(C2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C2)=CO1	REAL300017211400	0	39	-1.0	-66.13	343.02	0.67	-65.46
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017211401	0	29	-1.0	-41.93	287.25	-0.28	-42.21
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017211402	0	33	-1.0	-59.31	295.32	1.83	-57.48
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017211403	0	33	-1.0	-46.54	286.13	-0.70	-47.24
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=C2CCCN12	REAL300017211404	0	34	-1.0	-57.73	288.72	-0.05	-57.78
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017211405	0	38	-1.0	-50.87	313.79	1.27	-49.60
COC1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211406	0	34	-1.0	-63.05	303.90	1.05	-62.00
COC(=O)C1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300017211407	0	39	-1.0	-74.05	338.85	4.19	-69.86
COC(=O)CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211408	0	39	-1.0	-67.16	343.59	3.04	-64.12
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017211409	0	37	-1.0	-65.21	311.05	3.35	-61.86
CC1=CC=C(N2C=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=N2)C=C1	REAL300017211410	0	40	-1.0	-61.71	348.59	3.42	-58.29
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017211411	0	48	-1.0	-71.03	404.46	3.71	-67.32
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017211412	0	48	-1.0	-62.91	405.42	3.72	-59.19
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017211413	0	45	-1.0	-65.59	391.32	2.91	-62.68
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300017211414	0	32	-1.0	-62.71	307.90	1.68	-61.03
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C21	REAL300017211415	0	41	-1.0	-72.61	347.14	2.72	-69.89
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017211416	0	30	-1.0	-56.60	289.86	2.52	-54.08
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017211417	0	30	-1.0	-42.92	299.85	1.82	-41.10
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211418	0	40	-1.0	-63.95	327.17	3.17	-60.78
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1C#N	REAL300017211419	0	34	-1.0	-44.31	300.09	1.53	-42.78
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1F	REAL300017211420	0	36	-1.0	-45.22	322.99	1.43	-43.79
COC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211421	0	34	-1.0	-65.73	308.89	1.68	-64.05
COC1=CC=C(C)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211422	0	37	-1.0	-67.35	305.15	1.23	-66.12
N#CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Br	REAL300017211423	0	31	-1.0	-40.06	300.57	1.54	-38.52
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Cl	REAL300017211424	0	37	-1.0	-64.44	321.05	1.80	-62.64
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300017211425	0	36	-1.0	-44.83	338.60	1.74	-43.09
CC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1F	REAL300017211426	0	37	-1.0	-56.17	324.88	-0.23	-56.40
COC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1OC	REAL300017211427	0	38	-1.0	-59.40	333.21	0.95	-58.45
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017211428	0	34	-1.0	-48.94	309.18	0.39	-48.55
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017211429	0	33	-1.0	-46.82	304.42	1.70	-45.12
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C	REAL300017211430	0	41	-1.0	-62.29	358.46	-1.43	-63.72
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C2S1	REAL300017211431	0	42	-1.0	-62.01	381.25	4.64	-57.37
N#CCC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211432	0	34	-1.0	-68.54	308.87	2.76	-65.78
COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(Br)=C1	REAL300017211433	0	34	-1.0	-58.85	306.55	1.18	-57.67
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=N1	REAL300017211434	0	35	-1.0	-63.10	323.39	-2.78	-65.88
CC1=CC2=C(C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])OCO2	REAL300017211435	0	36	-1.0	-63.95	300.33	0.75	-63.20
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211436	0	36	-1.0	-47.52	312.47	1.94	-45.58
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017211437	0	30	-1.0	-55.63	291.30	2.27	-53.36
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211438	0	36	-1.0	-55.77	297.08	3.08	-52.69
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017211439	0	30	-1.0	-58.82	293.83	2.40	-56.42
COC1=CC2=C(C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])OCC(=O)N2	REAL300017211440	0	40	-1.0	-66.24	340.72	-1.30	-67.54
N#CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300017211441	0	28	-1.0	-56.37	279.13	1.16	-55.21
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017211442	0	31	-1.0	-63.52	290.19	-0.27	-63.79
COC1=CN=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211443	0	33	-1.0	-59.68	291.20	-0.93	-60.61
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017211444	0	30	-1.0	-58.39	288.47	2.12	-56.27
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1OC	REAL300017211445	0	40	-1.0	-48.06	342.15	1.35	-46.71
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211446	0	34	-1.0	-50.34	314.99	-1.96	-52.30
CCOC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211447	0	37	-1.0	-54.16	311.41	0.87	-53.29
CC1(C)CC2=CC=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=C2O1	REAL300017211448	0	41	-1.0	-66.23	340.96	2.91	-63.32
N#CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300017211449	0	34	-1.0	-47.29	316.76	1.83	-45.46
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211487	0	31	-1.0	-59.00	292.88	2.13	-56.87
CC1=CC=C(C#N)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211488	0	34	-1.0	-65.16	294.28	2.52	-62.64
COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(=O)N(C)C	REAL300017211489	0	44	-1.0	-49.55	362.36	0.16	-49.39
CC1CC2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300017211490	0	38	-1.0	-45.29	333.88	1.74	-43.55
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017211491	0	35	-1.0	-55.61	310.81	2.78	-52.83
CC1=CC=C(Br)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211492	0	33	-1.0	-60.88	298.50	2.55	-58.33
COC(=O)C1=COC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211493	0	33	-1.0	-49.57	302.15	0.19	-49.38
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=N1	REAL300017211494	0	41	-1.0	-62.32	354.36	2.38	-59.94
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017211495	0	32	-1.0	-58.83	298.61	1.08	-57.75
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211496	0	40	-1.0	-65.34	333.72	1.87	-63.47
COC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])SC=C1	REAL300017211497	0	31	-1.0	-70.11	289.98	-0.20	-70.31
CC(=O)NC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1C	REAL300017211498	0	40	-1.0	-63.42	334.26	0.37	-63.05
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCC(F)(F)F	REAL300017211499	0	32	-1.0	-66.15	291.28	1.28	-64.87
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017211500	0	35	-1.0	-71.80	313.41	1.70	-70.10
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300017211501	0	36	-1.0	-69.36	308.04	-0.61	-69.97
CN1CCCC2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C21	REAL300017211502	0	42	-1.0	-50.73	332.28	1.13	-49.60
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017211503	0	32	-1.0	-54.23	301.33	0.84	-53.39
CC1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211504	0	33	-1.0	-61.15	295.98	2.42	-58.73
COC1=CC=CC(OC)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211505	0	38	-1.0	-52.76	311.71	1.59	-51.17
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CN=C1Cl	REAL300017211506	0	32	-1.0	-42.91	290.78	-0.14	-43.05
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017211507	0	36	-1.0	-61.45	317.99	0.66	-60.79
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017211508	0	29	-1.0	-61.46	287.79	1.37	-60.09
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300017211509	0	39	-1.0	-59.53	339.62	3.26	-56.27
CC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1C#N	REAL300017211510	0	34	-1.0	-62.59	296.63	2.22	-60.37
COC1=CC(OC)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211511	0	38	-1.0	-63.69	327.61	-0.09	-63.78
N#CC1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211512	0	31	-1.0	-60.82	293.23	2.34	-58.48
CN1C=NC2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C21	REAL300017211513	0	36	-1.0	-70.36	314.90	2.95	-67.41
CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017211514	0	38	-1.0	-76.93	314.17	2.81	-74.12
CCC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1CC	REAL300017211515	0	42	-1.0	-49.65	337.18	3.21	-46.44
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211516	0	38	-1.0	-53.96	318.03	3.58	-50.38
CC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1Cl	REAL300017211517	0	33	-1.0	-60.25	291.12	2.54	-57.71
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C(C)O1	REAL300017211518	0	36	-1.0	-64.39	321.11	0.96	-63.43
CC1=C(C)SC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211519	0	33	-1.0	-50.41	296.88	1.20	-49.21
CC1=CC=CC(F)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211520	0	33	-1.0	-69.28	280.02	1.97	-67.31
NC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211521	0	31	-1.0	-57.20	283.66	-0.49	-57.69
CCC1=NC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300017211522	0	32	-1.0	-45.00	289.86	-0.71	-45.71
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017211523	0	36	-1.0	-70.91	303.76	3.16	-67.75
COC(=O)C1=NSC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211524	0	32	-1.0	-73.03	302.67	0.30	-72.73
COC(=O)C1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])SC=N1	REAL300017211525	0	32	-1.0	-47.57	301.01	-1.55	-49.12
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC(C)=C1F	REAL300017211526	0	36	-1.0	-57.49	313.66	2.94	-54.55
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017211527	0	38	-1.0	-70.34	323.40	-0.79	-71.13
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017211528	0	41	-1.0	-61.08	332.23	-0.53	-61.61
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CN1C	REAL300017211529	0	37	-1.0	-68.95	327.77	1.72	-67.23
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017211530	0	29	-1.0	-56.85	280.33	0.01	-56.84
CC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1F	REAL300017211531	0	33	-1.0	-61.98	288.17	2.17	-59.81
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211532	0	41	-1.0	-63.15	349.24	3.44	-59.71
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017211533	0	33	-1.0	-63.48	312.11	2.92	-60.56
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017211534	0	33	-1.0	-65.17	312.65	2.93	-62.24
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017211535	0	30	-1.0	-64.23	284.73	2.08	-62.15
CC1=CC(F)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211536	0	33	-1.0	-60.84	294.42	2.33	-58.51
COC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CN=C1Cl	REAL300017211537	0	33	-1.0	-47.96	300.97	-1.51	-49.47
N#CC1=CC=C(F)C(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211538	0	34	-1.0	-66.29	316.22	2.79	-63.50
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=N1	REAL300017211539	0	35	-1.0	-56.30	317.34	0.43	-55.87
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017211540	0	29	-1.0	-57.93	284.25	0.95	-56.98
COCC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211541	0	37	-1.0	-61.91	321.69	1.33	-60.58
COC1=CC(C#N)=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211542	0	35	-1.0	-62.45	312.90	1.57	-60.88
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211543	0	36	-1.0	-53.68	335.26	1.92	-51.76
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017211544	0	33	-1.0	-60.21	304.87	-0.58	-60.79
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=N1	REAL300017211545	0	36	-1.0	-56.69	315.64	-0.78	-57.47
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211546	0	39	-1.0	-62.29	348.79	-1.05	-63.34
CC(=O)NC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1F	REAL300017211547	0	37	-1.0	-50.30	321.26	-0.34	-50.64
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C21	REAL300017211548	0	44	-1.0	-67.66	351.76	2.23	-65.43
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017211549	0	33	-1.0	-62.60	290.81	0.18	-62.42
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211550	0	36	-1.0	-58.89	314.74	2.96	-55.93
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211551	0	40	-1.0	-75.56	352.89	-1.31	-76.87
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C2CC1	REAL300017211552	0	47	-1.0	-67.46	379.34	3.54	-63.92
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300017211553	0	39	-1.0	-62.34	351.53	3.06	-59.28
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211554	0	39	-1.0	-61.06	334.66	3.67	-57.39
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017211555	0	33	-1.0	-62.19	298.63	2.72	-59.47
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017211556	0	33	-1.0	-63.79	310.58	3.34	-60.45
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211557	0	44	-1.0	-51.03	371.69	-1.15	-52.18
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211558	0	43	-1.0	-73.03	368.68	2.75	-70.28
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1C	REAL300017211559	0	42	-1.0	-51.63	352.80	2.76	-48.87
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211560	0	42	-1.0	-67.60	365.45	3.95	-63.65
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1OC	REAL300017211561	0	41	-1.0	-64.97	361.04	0.87	-64.10
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C(F)C=C1C	REAL300017211562	0	42	-1.0	-60.64	362.55	3.34	-57.30
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017211563	0	36	-1.0	-63.19	330.19	3.46	-59.73
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211564	0	39	-1.0	-66.17	344.45	3.09	-63.08
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017211565	0	40	-1.0	-66.40	342.78	4.73	-61.67
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211566	0	44	-1.0	-53.46	382.91	-1.46	-54.92
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300017211567	0	33	-1.0	-64.05	307.99	2.84	-61.21
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CN1C	REAL300017211568	0	42	-1.0	-66.38	368.62	2.83	-63.55
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017211569	0	34	-1.0	-66.14	316.32	2.18	-63.96
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017211570	0	33	-1.0	-47.24	297.93	1.68	-45.56
CC1=NC(Cl)=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211571	0	32	-1.0	-45.66	285.80	-0.10	-45.76
CC1=NC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C(Br)N1C	REAL300017211572	0	33	-1.0	-62.74	308.12	1.06	-61.68
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017211573	0	31	-1.0	-41.05	283.56	-0.61	-41.66
COC(=O)C(C)(C)CS(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211574	0	38	-1.0	-59.89	315.19	1.54	-58.35
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211575	0	43	-1.0	-49.51	354.25	1.53	-47.98
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(F)=C1	REAL300017211576	0	36	-1.0	-58.83	324.68	1.90	-56.93
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211577	0	41	-1.0	-65.16	362.30	0.71	-64.45
CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300017211578	0	45	-1.0	-52.17	373.04	3.47	-48.70
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211579	0	42	-1.0	-57.06	367.43	-0.03	-57.09
COC(=O)C1(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CCCC1	REAL300017211580	0	42	-1.0	-72.21	335.21	3.18	-69.03
COCC1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211581	0	37	-1.0	-45.78	331.95	0.88	-44.90
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300017211582	0	36	-1.0	-56.86	321.02	3.11	-53.75
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017211583	0	41	-1.0	-59.96	375.85	4.72	-55.24
COC(=O)CC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211584	0	39	-1.0	-68.80	345.53	2.75	-66.05
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC12CCC(CC1)C2	REAL300017211585	0	40	-1.0	-67.05	316.22	2.92	-64.13
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017211586	0	36	-1.0	-47.48	326.74	2.80	-44.68
COC(=O)C1(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CCC1	REAL300017211587	0	39	-1.0	-73.33	328.52	2.02	-71.31
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017211588	0	30	-1.0	-54.73	299.19	1.80	-52.93
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211589	0	43	-1.0	-49.58	373.55	1.11	-48.47
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211590	0	46	-1.0	-49.25	395.42	2.04	-47.21
COC(=O)C1(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CCCCC1	REAL300017211591	0	45	-1.0	-72.68	343.84	3.75	-68.93
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211592	0	38	-1.0	-48.98	331.36	2.09	-46.89
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300017211593	0	32	-1.0	-72.90	294.98	0.29	-72.61
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017211594	0	34	-1.0	-62.86	295.97	1.42	-61.44
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])=C2	REAL300017211595	0	43	-1.0	-54.53	363.59	4.59	-49.94
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017211596	0	33	-1.0	-65.63	321.69	3.36	-62.27
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017211597	0	33	-1.0	-66.62	312.58	2.95	-63.67
COC1=CC=C(Br)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1F	REAL300017211598	0	34	-1.0	-67.85	313.14	1.75	-66.10
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211599	0	40	-1.0	-65.35	342.75	3.85	-61.50
CC(C)(CCS(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])C1CC1	REAL300017211600	0	42	-1.0	-65.12	331.74	3.00	-62.12
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017211601	0	34	-1.0	-49.98	309.29	2.42	-47.56
CC(F)(F)CCCS(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211602	0	35	-1.0	-68.46	305.76	1.81	-66.65
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCC1=CC=CC=C1	REAL300017211603	0	39	-1.0	-65.56	333.06	3.92	-61.64
CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C(C(N)=O)O1	REAL300017211605	0	34	-1.0	-68.70	302.77	-2.99	-71.69
CCCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211609	0	39	-1.0	-66.11	320.61	3.99	-62.12
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017211610	0	39	-1.0	-65.59	328.42	2.37	-63.22
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CSC=C1C(F)F	REAL300017211611	0	30	-1.0	-64.72	284.02	1.49	-63.23
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017211612	0	36	-1.0	-63.48	319.87	3.01	-60.47
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211613	0	46	-1.0	-63.08	382.43	4.41	-58.67
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017211614	0	35	-1.0	-70.15	297.17	1.71	-68.44
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C21	REAL300017211615	0	50	-1.0	-57.93	386.71	3.09	-54.84
COC(=O)C1=CN(C)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211616	0	37	-1.0	-61.10	329.42	1.76	-59.34
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C21	REAL300017211617	0	44	-1.0	-48.40	359.26	0.83	-47.57
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017211618	0	45	-1.0	-82.67	377.31	4.24	-78.43
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C21	REAL300017211619	0	44	-1.0	-82.33	367.45	3.53	-78.80
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017211620	0	37	-1.0	-61.81	316.49	1.30	-60.51
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300017211621	0	37	-1.0	-60.43	313.03	1.53	-58.90
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017211622	0	40	-1.0	-59.98	336.08	2.12	-57.86
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017211630	0	36	-1.0	-48.94	326.64	1.60	-47.34
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017211631	0	36	-1.0	-49.89	310.81	-2.12	-52.01
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(Br)C=CO1	REAL300017211632	0	27	-1.0	-48.81	266.63	0.11	-48.70
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300017211633	0	37	-1.0	-61.58	311.00	1.64	-59.94
COC1=C(F)C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1F	REAL300017211634	0	34	-1.0	-54.87	312.47	1.14	-53.73
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1F	REAL300017211635	0	34	-1.0	-59.67	303.52	0.90	-58.77
CCCCCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(C)C	REAL300017211636	0	55	-1.0	-48.06	434.54	5.26	-42.80
COC1=CC(C(C)C)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C	REAL300017211637	0	46	-1.0	-62.38	362.70	3.14	-59.24
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211638	0	40	-1.0	-65.51	333.90	2.99	-62.52
CC1=CSC(C)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211639	0	33	-1.0	-60.24	288.73	1.88	-58.36
CC1CC2=CC=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=C2O1	REAL300017211640	0	38	-1.0	-66.29	320.62	2.28	-64.01
CC(C)(C)C1=NC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300017211641	0	38	-1.0	-59.73	337.26	0.97	-58.76
N#CC1(C2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300017211642	0	38	-1.0	-66.71	334.86	3.81	-62.90
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211643	0	34	-1.0	-62.20	303.86	2.12	-60.08
CC1=C(Br)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C(C)S1	REAL300017211644	0	33	-1.0	-48.37	302.81	1.89	-46.48
CC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(Br)=C1	REAL300017211645	0	33	-1.0	-45.35	302.35	2.61	-42.74
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C21	REAL300017211646	0	47	-1.0	-67.40	370.06	2.73	-64.67
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017211647	0	36	-1.0	-63.89	318.87	1.98	-61.91
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C21	REAL300017211648	0	44	-1.0	-80.56	366.05	3.21	-77.35
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CSC=C1Cl	REAL300017211649	0	27	-1.0	-57.84	264.71	0.79	-57.05
CN1N=C(Br)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211650	0	30	-1.0	-51.34	287.56	-0.26	-51.60
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017211651	0	32	-1.0	-56.12	300.49	0.76	-55.36
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211652	0	35	-1.0	-58.17	300.85	0.06	-58.11
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017211653	0	39	-1.0	-50.19	309.83	0.89	-49.30
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017211654	0	34	-1.0	-59.91	317.23	2.03	-57.88
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017211655	0	31	-1.0	-53.67	281.50	0.38	-53.29
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017211656	0	33	-1.0	-61.09	307.45	2.74	-58.35
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017211657	0	34	-1.0	-60.16	317.27	2.02	-58.14
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017211658	0	33	-1.0	-70.13	311.16	1.30	-68.83
CN1N=C(C2CC2)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211659	0	37	-1.0	-50.03	312.59	0.34	-49.69
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C)=C1F	REAL300017211660	0	39	-1.0	-56.86	314.56	3.59	-53.27
COC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1OC	REAL300017211661	0	38	-1.0	-52.97	319.14	0.64	-52.33
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017211662	0	39	-1.0	-65.18	328.46	-2.13	-67.31
N#CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1Br	REAL300017211663	0	31	-1.0	-41.14	304.21	1.65	-39.49
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=COC2=CC=CC=C12	REAL300017211664	0	33	-1.0	-52.28	294.07	1.07	-51.21
COC1=CC=C(F)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1OC	REAL300017211665	0	38	-1.0	-65.28	327.87	1.62	-63.66
COC(=O)C1=C(Br)OC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211666	0	33	-1.0	-51.37	324.25	0.80	-50.57
CN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300017211667	0	43	-1.0	-63.61	348.43	2.16	-61.45
N#CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300017211668	0	34	-1.0	-67.08	317.47	3.50	-63.58
CN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300017211670	0	37	-1.0	-63.44	318.34	1.31	-62.13
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017211671	0	32	-1.0	-60.62	300.40	5.20	-55.42
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017211672	0	34	-1.0	-60.71	305.86	1.18	-59.53
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017211673	0	34	-1.0	-61.50	317.32	2.04	-59.46
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017211674	0	33	-1.0	-51.38	287.47	-0.19	-51.57
CN1N=NC2=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=CC=C21	REAL300017211675	0	35	-1.0	-68.71	310.16	-0.20	-68.91
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Br	REAL300017211677	0	36	-1.0	-63.83	315.06	3.13	-60.70
CC1(C)CCCN(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C1	REAL300017211678	0	41	-1.0	-61.25	321.08	1.97	-59.28
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017211679	0	36	-1.0	-43.92	330.69	1.86	-42.06
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017211680	0	33	-1.0	-61.14	298.08	1.34	-59.80
CN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300017211681	0	40	-1.0	-51.54	331.87	0.92	-50.62
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211682	0	48	-1.0	-63.59	373.01	5.02	-58.57
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017211683	0	36	-1.0	-61.86	337.77	3.46	-58.40
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(Cl)SC=C1	REAL300017211684	0	27	-1.0	-58.98	267.60	0.59	-58.39
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017211685	0	40	-1.0	-62.72	340.60	2.28	-60.44
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017211686	0	34	-1.0	-63.70	303.64	2.75	-60.95
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017211687	0	41	-1.0	-64.62	358.43	4.42	-60.20
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211688	0	43	-1.0	-56.19	353.56	-0.85	-57.04
COC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017211689	0	39	-1.0	-79.39	332.06	2.79	-76.60
CCCC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211690	0	39	-1.0	-62.19	332.97	3.52	-58.67
COC(=O)C1=NN(C)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211691	0	36	-1.0	-52.87	321.91	-0.03	-52.90
N#CC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211692	0	31	-1.0	-68.00	284.79	1.69	-66.31
CN1N=C2CCCC2=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211693	0	37	-1.0	-58.86	313.83	0.79	-58.07
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017211694	0	34	-1.0	-53.95	323.06	2.94	-51.01
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C2C=C1	REAL300017211695	0	42	-1.0	-60.99	367.30	4.51	-56.48
CC(C)(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211696	0	39	-1.0	-49.10	311.18	0.50	-48.60
CC(C)(C)N1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=N1	REAL300017211697	0	39	-1.0	-47.45	325.14	0.26	-47.19
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300017211698	0	37	-1.0	-59.21	306.94	0.41	-58.80
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300017211699	0	35	-1.0	-49.92	314.92	0.47	-49.45
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017211700	0	33	-1.0	-55.16	312.07	2.66	-52.50
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(CF)C=C1	REAL300017211701	0	33	-1.0	-49.89	291.75	1.57	-48.32
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017211702	0	30	-1.0	-48.38	284.78	1.01	-47.37
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017211703	0	30	-1.0	-54.78	298.33	1.71	-53.07
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)N1CCC(F)(F)CC1	REAL300017211704	0	35	-1.0	-59.64	297.56	0.76	-58.88
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017211705	0	33	-1.0	-45.27	311.99	2.06	-43.21
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017211706	0	33	-1.0	-73.32	290.78	2.92	-70.40
CCCC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211707	0	41	-1.0	-49.30	344.71	2.68	-46.62
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017211708	0	41	-1.0	-51.88	332.01	3.74	-48.14
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C21	REAL300017211709	0	40	-1.0	-64.70	344.04	2.43	-62.27
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017211710	0	36	-1.0	-47.24	324.89	1.75	-45.49
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017211711	0	36	-1.0	-59.35	308.99	2.04	-57.31
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211712	0	35	-1.0	-63.64	320.56	2.15	-61.49
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017211713	0	39	-1.0	-69.17	340.74	1.56	-67.61
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017211714	0	30	-1.0	-67.84	288.95	1.72	-66.12
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300017211715	0	37	-1.0	-62.58	315.83	3.70	-58.88
COC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=CS1	REAL300017211716	0	31	-1.0	-64.89	287.60	-0.18	-65.07
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017211717	0	33	-1.0	-63.83	300.25	2.88	-60.95
COC(=O)C1=C(C)SC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211718	0	36	-1.0	-59.15	332.80	1.96	-57.19
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017211719	0	37	-1.0	-60.81	319.20	3.33	-57.48
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017211720	0	40	-1.0	-56.32	331.26	2.16	-54.16
CCC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211721	0	39	-1.0	-56.57	328.33	1.16	-55.41
CNC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211722	0	39	-1.0	-70.22	337.56	-0.86	-71.08
CS(=O)(=O)C1=CSC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211723	0	33	-1.0	-55.11	317.22	-2.72	-57.83
CN(C1CCCCCC1)S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211724	0	44	-1.0	-59.88	336.35	2.52	-57.36
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211725	0	34	-1.0	-61.66	304.87	1.30	-60.36
CN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300017211726	0	44	-1.0	-63.31	358.90	0.43	-62.88
CC(F)(F)C1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211727	0	36	-1.0	-63.59	319.78	3.12	-60.47
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017211728	0	34	-1.0	-48.57	299.41	0.22	-48.35
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017211729	0	45	-1.0	-60.12	362.57	4.23	-55.89
COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300017211730	0	31	-1.0	-58.80	290.39	0.07	-58.73
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300017211731	0	41	-1.0	-58.35	326.89	3.20	-55.15
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017211732	0	38	-1.0	-60.10	324.56	1.40	-58.70
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300017211733	0	33	-1.0	-58.08	299.29	0.32	-57.76
CCOCC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211734	0	40	-1.0	-62.71	343.56	2.28	-60.43
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211737	0	40	-1.0	-59.88	346.26	2.81	-57.07
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017211738	0	43	-1.0	-58.00	353.01	2.57	-55.43
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017211739	0	41	-1.0	-59.31	357.03	4.51	-54.80
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC=C1CF	REAL300017211740	0	33	-1.0	-66.72	289.40	2.67	-64.05
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC(C)=C1Br	REAL300017211741	0	36	-1.0	-58.00	324.33	3.34	-54.66
CCN1N=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1Cl	REAL300017211742	0	33	-1.0	-58.77	305.03	0.04	-58.73
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017211743	0	34	-1.0	-49.81	313.31	2.50	-47.31
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])=C2	REAL300017211744	0	36	-1.0	-58.25	351.71	2.84	-55.41
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017211745	0	30	-1.0	-47.44	291.04	1.60	-45.84
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017211746	0	32	-1.0	-53.62	304.65	0.71	-52.91
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017211747	0	35	-1.0	-54.92	320.54	1.93	-52.99
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017211748	0	35	-1.0	-51.25	311.34	1.43	-49.82
CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300017211749	0	39	-1.0	-65.33	319.32	4.21	-61.12
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211750	0	34	-1.0	-63.52	318.48	2.42	-61.10
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017211751	0	37	-1.0	-63.56	324.55	1.97	-61.59
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C21	REAL300017211752	0	44	-1.0	-46.80	364.21	2.13	-44.67
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017211753	0	30	-1.0	-53.97	289.86	2.07	-51.90
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])O1	REAL300017211754	0	36	-1.0	-61.00	325.95	-2.22	-63.22
CN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300017211755	0	40	-1.0	-61.27	338.43	2.77	-58.50
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017211756	0	36	-1.0	-61.83	337.84	-0.99	-62.82
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017211757	0	34	-1.0	-59.01	304.94	2.84	-56.17
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017211758	0	34	-1.0	-53.73	316.37	2.61	-51.12
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017211759	0	34	-1.0	-58.51	319.82	3.39	-55.12
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017211760	0	34	-1.0	-60.65	312.40	2.62	-58.03
COC(=O)C1CCCCN1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211761	0	41	-1.0	-64.37	319.97	1.84	-62.53
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C21	REAL300017211762	0	52	-1.0	-51.12	389.76	4.82	-46.30
N#CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017211763	0	33	-1.0	-38.84	305.58	1.45	-37.39
COC1=CC=C(C=C(C)S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211764	0	41	-1.0	-62.78	345.08	2.39	-60.39
COC(=O)C=CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211765	0	40	-1.0	-63.31	353.29	3.49	-59.82
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=NN1	REAL300017211766	0	36	-1.0	-60.73	328.22	-0.73	-61.46
COC1=CSC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1OC	REAL300017211767	0	35	-1.0	-62.77	318.43	-0.04	-62.81
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])C2	REAL300017211768	0	47	-1.0	-50.24	319.41	4.68	-45.56
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017211769	0	42	-1.0	-60.89	327.83	1.92	-58.97
CN(CCC1=CC=CC=C1)S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211770	0	41	-1.0	-60.02	342.68	3.35	-56.67
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017211771	0	41	-1.0	-64.99	326.55	6.93	-58.06
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017211772	0	47	-1.0	-49.97	352.92	6.77	-43.20
CC(C)(C)OC(=O)N1CCN(C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1	REAL300017211773	0	48	-1.0	-43.79	350.80	2.81	-40.98
COC(=O)C1CCN(C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1	REAL300017211774	0	40	-1.0	-68.58	316.72	3.13	-65.45
CN(C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-])C1CCS(=O)(=O)C1	REAL300017211775	0	37	-1.0	-69.05	300.10	-0.68	-69.73
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211776	0	49	-1.0	-62.45	375.35	4.40	-58.05
COC(=O)C1CN(C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CCO1	REAL300017211777	0	38	-1.0	-51.83	303.10	1.19	-50.64
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211778	0	34	-1.0	-61.66	316.11	2.63	-59.03
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017211779	0	34	-1.0	-50.51	310.76	1.69	-48.82
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017211780	0	34	-1.0	-47.58	309.19	0.38	-47.20
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211781	0	36	-1.0	-56.76	310.18	1.49	-55.27
CC(=O)OC1CCN(C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1	REAL300017211782	0	40	-1.0	-64.05	317.83	3.36	-60.69
CN1C=CC2=CC(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])=CC=C21	REAL300017211783	0	37	-1.0	-65.97	320.31	3.37	-62.60
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017211784	0	33	-1.0	-67.60	297.56	2.93	-64.67
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017211785	0	39	-1.0	-48.55	342.63	1.25	-47.30
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017211786	0	27	-1.0	-42.20	288.35	0.88	-41.32
CN1N=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1Cl	REAL300017211787	0	30	-1.0	-59.05	283.25	-0.83	-59.88
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211788	0	43	-1.0	-61.43	356.52	3.89	-57.54
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017211789	0	47	-1.0	-47.53	378.40	2.55	-44.98
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017211790	0	33	-1.0	-52.45	312.73	1.85	-50.60
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017211791	0	35	-1.0	-64.14	321.39	1.96	-62.18
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211792	0	38	-1.0	-70.81	320.28	1.40	-69.41
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017211793	0	41	-1.0	-55.92	348.78	3.50	-52.42
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211794	0	36	-1.0	-75.33	307.69	3.44	-71.89
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017211795	0	35	-1.0	-58.97	321.48	0.20	-58.77
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017211796	0	31	-1.0	-59.11	304.83	0.52	-58.59
CC(=O)OC1CCCN(C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C1	REAL300017211797	0	40	-1.0	-57.19	312.25	2.98	-54.21
COCN1N=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211798	0	34	-1.0	-56.32	297.14	-2.07	-58.39
CC1=CC(Cl)=NC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211799	0	32	-1.0	-59.95	286.86	0.73	-59.22
C=C(C)COC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211800	0	41	-1.0	-47.79	343.82	2.28	-45.51
CCN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300017211801	0	40	-1.0	-63.07	339.90	2.18	-60.89
CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300017211802	0	34	-1.0	-63.19	299.62	0.65	-62.54
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017211803	0	36	-1.0	-59.37	329.26	4.38	-54.99
CC(=O)OC1CCN(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C1	REAL300017211804	0	38	-1.0	-61.63	325.86	0.81	-60.82
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017211805	0	40	-1.0	-49.01	350.98	4.58	-44.43
CCC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1Br	REAL300017211806	0	36	-1.0	-45.70	319.18	2.52	-43.18
CC1=NN(C2CCCC2)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211807	0	43	-1.0	-62.11	356.70	2.60	-59.51
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300017211808	0	27	-1.0	-59.00	277.39	0.82	-58.18
COCCC1=CC=C(OC)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211809	0	44	-1.0	-67.45	366.63	1.97	-65.48
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017211810	0	36	-1.0	-60.49	317.98	4.23	-56.26
CN1N=C2CCOCC2=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211811	0	38	-1.0	-55.06	316.34	-0.77	-55.83
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300017211812	0	37	-1.0	-65.46	298.62	3.29	-62.17
CC1(C)CCN(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1	REAL300017211813	0	41	-1.0	-60.58	320.70	1.52	-59.06
CC(=O)OCC1CCN(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1	REAL300017211814	0	44	-1.0	-65.77	363.77	2.08	-63.69
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211815	0	44	-1.0	-72.68	379.48	1.89	-70.79
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017211816	0	40	-1.0	-63.26	330.61	-0.56	-63.82
COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C)=N1	REAL300017211817	0	36	-1.0	-58.34	301.77	-1.24	-59.58
COC1=NC=C(C)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211818	0	36	-1.0	-62.08	310.74	-0.48	-62.56
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017211819	0	45	-1.0	-61.32	368.50	1.98	-59.34
COC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211820	0	33	-1.0	-59.02	306.04	-0.64	-59.66
COC1=NC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C	REAL300017211821	0	36	-1.0	-49.48	307.43	-2.06	-51.54
CC(C)CN1C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=N1	REAL300017211822	0	39	-1.0	-62.23	329.56	1.77	-60.46
CC1=NN(C(C)C)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211823	0	39	-1.0	-60.75	326.68	0.87	-59.88
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017211824	0	29	-1.0	-42.01	291.49	-1.21	-43.22
N#CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])SC=C1	REAL300017211825	0	28	-1.0	-70.88	278.06	0.66	-70.22
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017211826	0	34	-1.0	-60.62	329.49	3.71	-56.91
CC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211827	0	36	-1.0	-57.36	310.38	0.56	-56.80
COC(=O)C1=NC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C	REAL300017211828	0	38	-1.0	-45.56	326.91	0.01	-45.55
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211829	0	33	-1.0	-74.72	306.92	3.47	-71.25
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300017211830	0	37	-1.0	-49.85	311.19	0.98	-48.87
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017211831	0	37	-1.0	-65.64	322.87	2.63	-63.01
COC1=NOC(CS(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211832	0	33	-1.0	-67.25	297.99	-2.06	-69.31
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300017211833	0	35	-1.0	-71.12	303.23	1.76	-69.36
CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=NN1C(C)C	REAL300017211834	0	39	-1.0	-60.56	326.30	1.22	-59.34
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017211835	0	37	-1.0	-48.81	321.64	2.88	-45.93
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017211836	0	32	-1.0	-44.04	287.46	-0.33	-44.37
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211837	0	44	-1.0	-60.36	378.44	4.89	-55.47
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017211838	0	37	-1.0	-63.31	328.14	3.83	-59.48
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)N1CCC(C(F)(F)F)CC1	REAL300017211839	0	37	-1.0	-64.83	298.08	3.40	-61.43
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017211840	0	34	-1.0	-59.93	312.66	1.92	-58.01
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)N1CC=C(Br)CC1	REAL300017211841	0	32	-1.0	-62.22	273.23	3.10	-59.12
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017211842	0	33	-1.0	-68.31	302.01	2.45	-65.86
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211843	0	38	-1.0	-67.14	325.61	-2.70	-69.84
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300017211844	0	37	-1.0	-60.42	299.18	-0.47	-60.89
N#CC1CCN(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1	REAL300017211845	0	36	-1.0	-63.60	307.33	0.77	-62.83
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017211847	0	37	-1.0	-65.69	312.82	3.35	-62.34
CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(Cl)=C1Cl	REAL300017211848	0	33	-1.0	-57.34	308.35	2.80	-54.54
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017211849	0	34	-1.0	-56.13	315.95	1.03	-55.10
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017211850	0	37	-1.0	-58.99	335.01	2.30	-56.69
COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C(F)F)=C1	REAL300017211851	0	37	-1.0	-65.90	320.56	2.08	-63.82
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211852	0	36	-1.0	-59.15	328.17	-0.16	-59.31
CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300017211853	0	38	-1.0	-70.17	319.57	3.14	-67.03
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)N1CC(OCC2=CC=CC=C2)C1	REAL300017211854	0	42	-1.0	-65.26	346.34	4.07	-61.19
CC(C)(C)OC(=O)NC1CN(C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C1	REAL300017211855	0	45	-1.0	-62.69	357.17	0.86	-61.83
CC(=O)OCC1CCN(C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])CC1	REAL300017211856	0	43	-1.0	-68.76	339.19	4.07	-64.69
COC(=O)C1CCCN(C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C1	REAL300017211857	0	40	-1.0	-51.29	309.27	3.15	-48.14
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)N1CC=C(Br)CC1	REAL300017211858	0	33	-1.0	-57.38	298.51	1.29	-56.09
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)N1CCC(F)(F)C1	REAL300017211860	0	32	-1.0	-59.13	284.17	-0.06	-59.19
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211861	0	43	-1.0	-67.45	351.05	3.29	-64.16
CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C(Cl)S1	REAL300017211862	0	30	-1.0	-60.84	284.32	1.77	-59.07
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017211863	0	37	-1.0	-59.85	334.58	2.42	-57.43
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=C2CCCCN2N=C1	REAL300017211864	0	37	-1.0	-61.24	308.95	0.34	-60.90
CCN1C=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300017211865	0	37	-1.0	-50.79	332.74	3.97	-46.82
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211866	0	42	-1.0	-47.50	353.25	5.74	-41.76
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211867	0	43	-1.0	-56.72	349.07	5.86	-50.86
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211868	0	40	-1.0	-57.82	340.23	5.29	-52.53
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211869	0	33	-1.0	-47.93	308.78	3.94	-43.99
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC=C1Cl	REAL300017211870	0	33	-1.0	-48.52	317.23	4.12	-44.40
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211871	0	33	-1.0	-50.38	304.73	3.74	-46.64
CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300017211872	0	36	-1.0	-49.65	320.78	4.28	-45.37
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1	REAL300017211873	0	33	-1.0	-48.66	304.73	3.75	-44.91
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1C	REAL300017211874	0	39	-1.0	-57.82	328.04	4.68	-53.14
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)S1	REAL300017211875	0	33	-1.0	-47.81	319.31	3.70	-44.11
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211876	0	36	-1.0	-56.22	307.84	4.04	-52.18
O=C([O-])C1=CSC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211877	0	30	-1.0	-47.50	297.91	2.78	-44.72
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211878	0	39	-1.0	-47.73	332.11	5.41	-42.32
CN1C=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300017211879	0	34	-1.0	-50.14	311.35	3.09	-47.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211880	0	33	-1.0	-47.92	313.82	3.41	-44.51
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C(C)O1	REAL300017211881	0	36	-1.0	-54.05	314.23	3.97	-50.08
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C(Cl)C=C1F	REAL300017211882	0	33	-1.0	-48.90	315.60	4.07	-44.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211883	0	36	-1.0	-47.36	303.91	3.95	-43.41
CCC1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300017211884	0	39	-1.0	-52.49	339.18	4.94	-47.55
CC1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC=C1C(=O)[O-]	REAL300017211885	0	36	-1.0	-48.15	320.75	4.29	-43.86
CC1=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C(C(=O)[O-])S1	REAL300017211886	0	33	-1.0	-54.52	304.26	3.30	-51.22
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211887	0	36	-1.0	-50.58	315.65	4.15	-46.43
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1	REAL300017211888	0	40	-1.0	-46.58	361.20	2.33	-44.25
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211889	0	41	-1.0	-53.42	359.33	4.90	-48.52
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211890	0	40	-1.0	-51.89	350.19	4.37	-47.52
COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1CC(=O)[O-]	REAL300017211891	0	40	-1.0	-50.27	355.20	3.88	-46.39
CC1=CC(C)=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300017211892	0	39	-1.0	-57.44	328.09	4.71	-52.73
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211893	0	37	-1.0	-53.97	317.10	2.11	-51.86
COC1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC(C(=O)[O-])=C1OC	REAL300017211894	0	41	-1.0	-55.68	362.34	3.59	-52.09
CCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300017211895	0	40	-1.0	-56.23	353.85	4.71	-51.52
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CS1	REAL300017211896	0	30	-1.0	-51.38	296.36	2.77	-48.61
CC1=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C(C(=O)[O-])O1	REAL300017211897	0	33	-1.0	-50.67	297.90	2.57	-48.10
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC2=C1OCCO2	REAL300017211898	0	39	-1.0	-54.95	346.18	3.55	-51.40
CC1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC=C1OCC(=O)[O-]	REAL300017211899	0	40	-1.0	-48.98	355.88	4.73	-44.25
CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C(C)=C1C(=O)[O-]	REAL300017211900	0	39	-1.0	-51.12	327.12	4.70	-46.42
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211901	0	36	-1.0	-50.68	310.35	4.13	-46.55
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211902	0	33	-1.0	-47.81	310.42	3.84	-43.97
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C(Cl)=C1	REAL300017211903	0	33	-1.0	-45.01	309.49	3.96	-41.05
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1F	REAL300017211904	0	33	-1.0	-50.49	309.23	3.77	-46.72
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211905	0	36	-1.0	-51.17	324.38	4.55	-46.62
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC(Cl)=C1F	REAL300017211906	0	33	-1.0	-49.87	324.73	4.31	-45.56
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC(F)=C1Cl	REAL300017211907	0	33	-1.0	-46.87	322.39	4.22	-42.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1F	REAL300017211908	0	36	-1.0	-48.29	326.98	4.35	-43.94
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211909	0	37	-1.0	-52.20	327.82	3.60	-48.60
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC=C1O	REAL300017211910	0	34	-1.0	-51.50	313.52	1.78	-49.72
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1	REAL300017211911	0	37	-1.0	-51.30	336.15	5.02	-46.28
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1	REAL300017211912	0	39	-1.0	-48.31	348.31	5.33	-42.98
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211913	0	33	-1.0	-46.19	306.03	3.65	-42.54
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1	REAL300017211914	0	36	-1.0	-48.60	326.87	4.51	-44.09
COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300017211915	0	37	-1.0	-58.81	332.02	3.81	-55.00
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1	REAL300017211916	0	37	-1.0	-48.69	335.81	4.03	-44.66
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1F	REAL300017211917	0	37	-1.0	-50.87	342.04	4.09	-46.78
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C(F)=C1	REAL300017211918	0	33	-1.0	-44.98	306.70	3.73	-41.25
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1Cl	REAL300017211919	0	33	-1.0	-46.87	317.20	4.13	-42.74
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211920	0	36	-1.0	-51.69	326.29	4.35	-47.34
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1	REAL300017211921	0	41	-1.0	-49.55	368.47	5.16	-44.39
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211922	0	33	-1.0	-42.63	312.94	3.76	-38.87
CC1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC(C(=O)[O-])=C1C	REAL300017211923	0	39	-1.0	-53.55	337.48	4.85	-48.70
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211924	0	35	-1.0	-43.06	332.89	4.40	-38.66
CC1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC(C(=O)[O-])=C1F	REAL300017211925	0	36	-1.0	-55.79	328.90	4.43	-51.36
CC1=CC(F)=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300017211926	0	36	-1.0	-45.67	322.05	4.19	-41.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1Cl	REAL300017211927	0	36	-1.0	-48.98	328.17	4.54	-44.44
CC1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC(C(=O)[O-])=C1Cl	REAL300017211928	0	36	-1.0	-52.38	335.29	4.74	-47.64
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211929	0	36	-1.0	-43.94	322.11	4.51	-39.43
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C([N+](=O)[O-])=C1	REAL300017211930	0	35	-1.0	-47.16	322.71	5.45	-41.71
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)S1	REAL300017211931	0	30	-1.0	-47.55	296.99	2.87	-44.68
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211932	0	36	-1.0	-50.27	326.89	4.52	-45.75
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC=C1[N+](=O)[O-]	REAL300017211933	0	35	-1.0	-58.51	331.27	4.83	-53.68
CC1=CC(C)=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C(C)=C1CC(=O)[O-]	REAL300017211934	0	45	-1.0	-46.33	359.77	6.25	-40.08
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1[N+](=O)[O-]	REAL300017211935	0	35	-1.0	-65.33	323.30	5.41	-59.92
CC1=C(Cl)C=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300017211936	0	36	-1.0	-48.59	337.94	4.85	-43.74
CC1=C(F)C=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300017211937	0	36	-1.0	-48.08	329.31	4.47	-43.61
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC2=CC=CC=C21	REAL300017211938	0	39	-1.0	-56.44	345.11	5.90	-50.54
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C(F)C(F)=C1F	REAL300017211939	0	33	-1.0	-43.90	317.46	3.80	-40.10
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211940	0	37	-1.0	-48.59	328.75	3.59	-45.00
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1F	REAL300017211941	0	33	-1.0	-53.58	304.24	3.63	-49.95
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211943	0	37	-1.0	-49.36	329.50	2.80	-46.56
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211944	1	34	-1.0	-50.85	303.93	1.87	-48.98
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211945	0	32	-1.0	-45.50	300.92	1.85	-43.65
CC1=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C(C(=O)[O-])=NN1	REAL300017211946	0	33	-1.0	-54.52	294.82	1.51	-53.01
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1	REAL300017211947	0	36	-1.0	-53.80	312.85	4.10	-49.70
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C(Cl)O1	REAL300017211948	0	30	-1.0	-44.36	298.16	2.49	-41.87
O=C([O-])C1=C(F)C=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1F	REAL300017211949	0	33	-1.0	-55.21	308.75	3.66	-51.55
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC(F)=C1F	REAL300017211950	0	33	-1.0	-50.08	314.84	3.87	-46.21
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCO[C@H](C(F)(F)F)C3)C=C2C1	REAL300017211951	0	40	-1.0	-51.74	349.49	5.64	-46.10
CCC1=C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)C=C(C(=O)[O-])O1	REAL300017211952	0	36	-1.0	-52.75	320.56	3.32	-49.43
CCN1C=C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)C=C1C(=O)[O-]	REAL300017211953	0	46	-1.0	-56.79	385.67	4.64	-52.15
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)=C1	REAL300017211954	0	42	-1.0	-54.48	358.22	4.39	-50.09
CC1=CC=C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)C=C1C(=O)[O-]	REAL300017211955	0	45	-1.0	-56.16	373.77	4.97	-51.19
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)C=C1	REAL300017211956	0	42	-1.0	-51.75	357.73	4.44	-47.31
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(O)(CCC(F)(F)F)CC1	REAL300017211957	0	45	-1.0	-57.75	361.93	4.69	-53.06
O=C([O-])C1=CSC(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)=C1	REAL300017211958	0	39	-1.0	-51.63	351.44	3.40	-48.23
CN1C=C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)C=C1C(=O)[O-]	REAL300017211959	0	43	-1.0	-55.76	364.87	3.73	-52.03
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)=C(C)O1	REAL300017211960	0	45	-1.0	-59.53	367.88	4.59	-54.94
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC(O)(CCC(F)(F)F)CC1	REAL300017211961	0	45	-1.0	-51.08	356.43	4.54	-46.54
CC1=CC(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)=CC=C1C(=O)[O-]	REAL300017211962	0	45	-1.0	-51.27	373.74	4.98	-46.29
O=C([O-])C1=CC(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)=CS1	REAL300017211963	0	39	-1.0	-52.95	349.88	3.41	-49.54
CC1=C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)C=C(C(=O)[O-])O1	REAL300017211964	0	42	-1.0	-55.56	350.79	3.15	-52.41
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC(O)(CCC(F)(F)F)CC1	REAL300017211965	0	45	-1.0	-52.50	361.66	4.65	-47.85
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)=C1	REAL300017211966	0	42	-1.0	-48.89	364.64	4.43	-44.46
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)C=C1F	REAL300017211967	0	42	-1.0	-53.71	362.73	4.45	-49.26
O=C([O-])C1=CC(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)=CC=C1O	REAL300017211968	0	43	-1.0	-55.93	366.56	2.47	-53.46
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)=C1	REAL300017211969	0	42	-1.0	-50.77	359.00	4.27	-46.50
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)C=C1	REAL300017211970	0	45	-1.0	-51.79	379.91	5.22	-46.57
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)C(F)=C1	REAL300017211971	0	42	-1.0	-48.46	359.07	4.28	-44.18
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)S1	REAL300017211972	0	39	-1.0	-50.90	350.51	3.49	-47.41
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)=C1	REAL300017211973	0	45	-1.0	-53.98	380.39	5.17	-48.81
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)=C1F	REAL300017211974	0	42	-1.0	-57.19	357.32	4.24	-52.95
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)=C1	REAL300017211975	1	43	-1.0	-56.18	357.02	2.55	-53.63
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)=C1	REAL300017211976	0	41	-1.0	-49.84	354.45	2.50	-47.34
CC1=C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)C(C(=O)[O-])=NN1	REAL300017211977	0	42	-1.0	-63.27	346.57	2.01	-61.26
CCC1=C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)C=C(C(=O)[O-])O1	REAL300017211978	0	45	-1.0	-56.84	373.45	3.92	-52.92
CCN1C=C(S(=O)(=O)NC(C)C(C)(C)C)C=C1C(=O)[O-]	REAL300017211979	0	41	-1.0	-52.66	333.40	4.76	-47.90
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C(C)(C)C	REAL300017211980	0	46	-1.0	-47.90	346.77	6.19	-41.71
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C(C)(C)C	REAL300017211981	0	47	-1.0	-56.49	359.16	7.17	-49.32
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C(C)(C)C	REAL300017211982	0	44	-1.0	-56.95	346.76	6.43	-50.52
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(C)(C)C	REAL300017211983	0	37	-1.0	-47.99	316.82	5.10	-42.89
CC(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(C)(C)C	REAL300017211984	0	37	-1.0	-49.66	315.14	4.86	-44.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)C(C)(C)C)=C1C	REAL300017211985	0	43	-1.0	-56.27	333.28	5.91	-50.36
CC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(C)(C)C	REAL300017211986	0	37	-1.0	-47.21	319.99	4.51	-42.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C(C)(C)C	REAL300017211987	0	43	-1.0	-54.78	332.99	6.26	-48.52
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC(C)C(C)(C)C)=C1	REAL300017211988	0	37	-1.0	-47.39	314.26	4.25	-43.14
CC1=C(C(=O)[O-])C(S(=O)(=O)NC(C)C(C)(C)C)=C(C)O1	REAL300017211989	0	40	-1.0	-54.13	315.36	4.76	-49.37
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C(C)(C)C	REAL300017211990	0	37	-1.0	-48.29	320.05	5.10	-43.19
CCC1=CC=C(S(=O)(=O)NC(C)C(C)(C)C)C=C1C(=O)[O-]	REAL300017211991	0	43	-1.0	-51.08	336.86	5.65	-45.43
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)C(C)(C)C	REAL300017211992	0	37	-1.0	-44.64	318.29	5.21	-39.43
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C(C)(C)C	REAL300017211993	0	40	-1.0	-46.30	332.75	5.28	-41.02
CC1=C(S(=O)(=O)NC(C)C(C)(C)C)C=C(C(=O)[O-])S1	REAL300017211994	0	37	-1.0	-53.69	310.93	4.42	-49.27
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C(C)(C)C	REAL300017211995	0	40	-1.0	-49.04	321.49	5.42	-43.62
CC(NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(C)(C)C	REAL300017211996	0	37	-1.0	-48.77	318.88	4.95	-43.82
CC(NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(C)(C)C	REAL300017211997	0	44	-1.0	-44.78	359.13	3.05	-41.73
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC(C)C(C)(C)C	REAL300017211998	0	45	-1.0	-53.98	364.24	5.73	-48.25
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC(C)C(C)(C)C	REAL300017211999	0	44	-1.0	-50.50	354.19	5.03	-45.47
COC1=CC=C(S(=O)(=O)NC(C)C(C)(C)C)C=C1CC(=O)[O-]	REAL300017212000	0	44	-1.0	-54.70	353.10	4.60	-50.10
CC1=CC=C(CS(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300017215788	0	38	-1.0	-50.41	327.25	6.44	-43.97
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300017215789	0	36	-1.0	-53.67	319.32	6.18	-47.49
COC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC(F)=C1F	REAL300017215790	0	38	-1.0	-49.17	342.32	5.76	-43.41
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017215791	0	44	-1.0	-52.01	361.52	6.45	-45.56
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017215792	0	50	-1.0	-46.31	364.12	6.69	-39.62
CC1=NC2=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=CC=C2C=C1	REAL300017215793	0	40	-1.0	-55.26	333.68	6.53	-48.73
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017215794	0	40	-1.0	-57.02	341.32	6.91	-50.11
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017215795	0	43	-1.0	-50.19	352.59	3.58	-46.61
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215796	0	46	-1.0	-52.18	394.05	6.11	-46.07
CCCN1C=NC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215797	0	38	-1.0	-53.83	323.55	5.78	-48.05
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017215798	0	33	-1.0	-45.98	318.11	5.84	-40.14
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(C#N)SC=C1	REAL300017215799	0	30	-1.0	-51.23	279.53	4.15	-47.08
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1CCC(F)CC1	REAL300017215800	0	41	-1.0	-51.10	326.25	6.21	-44.89
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300017215801	0	35	-1.0	-46.66	310.86	6.13	-40.53
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017215802	0	38	-1.0	-54.18	325.16	5.99	-48.19
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)=N1	REAL300017215803	0	41	-1.0	-49.58	361.65	6.51	-43.07
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300017215804	0	38	-1.0	-51.00	347.19	5.99	-45.01
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215805	0	41	-1.0	-50.43	352.73	6.21	-44.22
CC1=C(Br)C=CC=C1CS(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215806	0	38	-1.0	-49.37	334.62	6.81	-42.56
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017215807	0	35	-1.0	-48.87	320.42	6.24	-42.63
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017215808	0	32	-1.0	-45.46	315.09	6.14	-39.32
CC1=CC(C(N)=O)=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215809	0	39	-1.0	-56.51	333.10	2.43	-54.08
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017215810	0	57	-1.0	-48.41	457.49	9.92	-38.49
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017215811	0	47	-1.0	-52.42	386.43	7.36	-45.06
CCC1CCN(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300017215812	0	43	-1.0	-46.88	334.62	5.44	-41.44
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017215813	0	38	-1.0	-51.45	328.88	6.57	-44.88
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCC1=CC=CC=C1F	REAL300017215814	0	38	-1.0	-50.44	327.88	6.54	-43.90
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017215815	0	38	-1.0	-51.33	334.43	6.88	-44.45
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215816	0	36	-1.0	-47.31	326.36	5.55	-41.76
COC1=CC2=C(C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)NCCC2	REAL300017215817	0	47	-1.0	-57.09	376.05	3.94	-53.15
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)S2)C1	REAL300017215818	0	43	-1.0	-53.30	368.41	5.53	-47.77
CC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300017215819	0	39	-1.0	-50.57	353.61	7.53	-43.04
COC1CCN(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300017215820	0	41	-1.0	-47.91	325.99	3.22	-44.69
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017215821	0	35	-1.0	-49.96	324.16	6.35	-43.61
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215822	0	45	-1.0	-49.31	367.07	6.67	-42.64
CC(CC(F)(F)F)CS(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215823	0	37	-1.0	-52.48	311.81	5.23	-47.25
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017215824	0	39	-1.0	-53.15	339.43	6.91	-46.24
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)=C2)=N1	REAL300017215825	0	44	-1.0	-51.83	359.91	4.39	-47.44
COC1=CC(F)=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215826	0	36	-1.0	-48.61	307.30	4.88	-43.73
COC(=O)C1=C(C)C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300017215827	0	38	-1.0	-49.14	334.13	4.40	-44.74
CCC1=NC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CN1CC1CC1	REAL300017215828	0	45	-1.0	-53.76	371.14	6.78	-46.98
CC(=O)N1CC2=CC=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C2C1	REAL300017215829	0	43	-1.0	-55.38	360.53	5.51	-49.87
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017215830	0	35	-1.0	-48.28	316.28	4.53	-43.75
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017215831	0	35	-1.0	-56.50	323.01	4.71	-51.79
CCCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300017215832	0	51	-1.0	-48.40	408.22	8.04	-40.36
CC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300017215833	0	40	-1.0	-50.46	329.63	6.88	-43.58
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300017215834	0	39	-1.0	-47.42	319.36	4.78	-42.64
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017215835	0	45	-1.0	-48.05	373.81	7.22	-40.83
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017215836	0	46	-1.0	-50.63	393.23	8.38	-42.25
COC(CS(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300017215837	0	42	-1.0	-51.47	359.51	5.88	-45.59
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017215838	0	44	-1.0	-52.52	360.81	6.44	-46.08
COC(=O)NC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300017215839	0	40	-1.0	-50.15	358.47	3.92	-46.23
COC(=O)C1=CC=CC2=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300017215840	0	44	-1.0	-51.21	361.63	7.51	-43.70
COC(=O)NC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300017215841	0	43	-1.0	-52.64	361.27	4.11	-48.53
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017215842	0	41	-1.0	-48.94	326.03	6.19	-42.75
CCOC1(CS(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CCOCC1	REAL300017215843	0	46	-1.0	-51.38	353.85	3.73	-47.65
CCOC(CS(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)C1CC1	REAL300017215844	0	42	-1.0	-50.59	342.30	5.32	-45.27
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300017215845	0	38	-1.0	-51.45	335.91	5.57	-45.88
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)=C(Cl)C=C21	REAL300017215846	0	43	-1.0	-58.88	361.11	6.25	-52.63
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300017215847	0	35	-1.0	-46.82	317.07	3.66	-43.16
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017215848	0	43	-1.0	-49.71	377.31	9.10	-40.61
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215849	0	35	-1.0	-46.21	308.86	5.95	-40.26
CC1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1Br	REAL300017215850	0	35	-1.0	-49.15	297.39	5.71	-43.44
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215851	0	38	-1.0	-54.43	320.31	5.68	-48.75
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017215852	0	40	-1.0	-50.74	335.71	2.76	-47.98
COC1=CC(Br)=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215853	0	36	-1.0	-47.51	327.51	4.94	-42.57
COC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017215854	0	38	-1.0	-50.51	332.68	5.74	-44.77
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215855	0	38	-1.0	-48.01	320.10	6.31	-41.70
COCCN1C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300017215856	0	39	-1.0	-50.70	336.46	2.62	-48.08
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215857	0	45	-1.0	-49.61	364.12	6.39	-43.22
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017215858	0	39	-1.0	-52.48	341.05	5.56	-46.92
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1C	REAL300017215859	0	59	-1.0	-50.23	463.91	9.64	-40.59
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017215860	0	40	-1.0	-55.42	349.99	7.20	-48.22
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017215861	0	32	-1.0	-47.42	303.20	5.68	-41.74
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017215862	0	35	-1.0	-51.51	312.31	5.83	-45.68
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017215863	0	39	-1.0	-63.04	341.75	2.88	-60.16
CCN1C(=O)OC2=CC(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300017215864	0	41	-1.0	-53.49	353.06	5.96	-47.53
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215865	0	35	-1.0	-48.09	301.70	5.98	-42.11
COCC1=CC=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215866	0	39	-1.0	-47.62	321.09	5.12	-42.50
COC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300017215867	0	36	-1.0	-47.62	326.97	4.98	-42.64
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017215868	0	35	-1.0	-53.65	338.51	1.79	-51.86
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017215869	0	35	-1.0	-53.76	320.78	4.07	-49.69
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017215870	0	43	-1.0	-48.57	354.14	6.27	-42.30
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300017215871	0	40	-1.0	-53.34	354.70	1.82	-51.52
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300017215872	0	43	-1.0	-52.47	376.17	2.71	-49.76
CCC(=O)NCC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1OC	REAL300017215873	0	49	-1.0	-53.34	407.69	4.16	-49.18
CCC1=CC=C(CS(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017215874	0	41	-1.0	-49.79	343.71	7.17	-42.62
COC1=CC=C(Br)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215875	0	36	-1.0	-49.82	314.84	4.71	-45.11
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017215876	0	47	-1.0	-51.46	389.50	5.48	-45.98
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215877	0	41	-1.0	-56.12	358.86	3.43	-52.69
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017215878	0	34	-1.0	-47.68	325.03	4.93	-42.75
CC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300017215879	0	37	-1.0	-49.63	335.27	6.14	-43.49
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215880	0	37	-1.0	-54.28	323.65	5.61	-48.67
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300017215881	0	33	-1.0	-48.33	318.70	6.02	-42.31
CCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300017215882	0	39	-1.0	-49.23	347.96	5.91	-43.32
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017215883	0	46	-1.0	-53.70	394.00	4.43	-49.27
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017215884	0	35	-1.0	-51.84	311.16	5.79	-46.05
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215885	0	45	-1.0	-49.02	383.84	6.67	-42.35
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CCOC(C)(C)C1	REAL300017215886	0	41	-1.0	-46.92	323.35	3.25	-43.67
COC1=C(C)C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300017215887	0	42	-1.0	-48.44	350.29	5.89	-42.55
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017215888	0	48	-1.0	-47.78	387.35	7.36	-40.42
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017215889	0	46	-1.0	-48.60	370.82	7.18	-41.42
CC(C)COC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017215890	0	45	-1.0	-47.89	368.38	6.75	-41.14
CCCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017215891	0	42	-1.0	-47.92	348.28	6.05	-41.87
COC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300017215892	0	36	-1.0	-49.61	322.09	4.88	-44.73
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017215893	0	36	-1.0	-49.95	331.84	5.15	-44.80
COC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300017215894	0	39	-1.0	-48.63	324.96	5.07	-43.56
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1OC(C)C	REAL300017215895	0	45	-1.0	-48.27	365.17	6.66	-41.61
COC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300017215896	0	39	-1.0	-48.84	311.38	4.58	-44.26
COCCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017215897	0	43	-1.0	-50.49	362.03	4.50	-45.99
COCCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300017215898	0	46	-1.0	-50.65	380.44	5.26	-45.39
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=CC=C1F	REAL300017215899	0	35	-1.0	-51.44	306.12	5.77	-45.67
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215900	0	43	-1.0	-55.40	367.78	4.67	-50.73
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017215901	0	47	-1.0	-52.48	381.44	4.44	-48.04
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215902	0	42	-1.0	-57.87	345.97	4.70	-53.17
CC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(Br)=C1	REAL300017215903	0	35	-1.0	-49.09	306.70	6.06	-43.03
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300017215904	0	38	-1.0	-55.73	338.59	2.61	-53.12
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215905	0	38	-1.0	-53.62	339.43	7.21	-46.41
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017215906	0	33	-1.0	-49.30	312.79	5.82	-43.48
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215907	0	35	-1.0	-46.52	303.21	5.90	-40.62
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1C	REAL300017215908	0	40	-1.0	-59.58	314.81	7.55	-52.03
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215909	0	38	-1.0	-50.43	335.66	5.93	-44.50
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215910	0	41	-1.0	-55.91	344.69	2.99	-52.92
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300017215911	0	36	-1.0	-47.89	325.52	6.87	-41.02
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300017215912	0	33	-1.0	-49.61	313.00	5.80	-43.81
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017215913	0	48	-1.0	-51.14	389.41	6.78	-44.36
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017215914	0	44	-1.0	-53.48	385.57	2.87	-50.61
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017215915	0	40	-1.0	-53.51	353.65	1.18	-52.33
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300017215916	0	42	-1.0	-55.05	372.80	3.94	-51.11
COC(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300017215917	0	35	-1.0	-49.29	316.59	3.80	-45.49
CC1=NC(C)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300017215918	0	34	-1.0	-47.18	304.49	3.50	-43.68
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017215919	0	34	-1.0	-55.32	299.82	6.61	-48.71
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017215920	0	35	-1.0	-50.31	334.48	6.74	-43.57
CCOC(=O)C1=C(C)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C(C)N1	REAL300017215921	0	45	-1.0	-51.04	368.66	5.57	-45.47
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017215922	0	32	-1.0	-50.79	296.18	5.96	-44.83
CC1=NC(C2=CC=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)S2)=CS1	REAL300017215923	0	38	-1.0	-50.00	356.61	5.56	-44.44
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017215924	0	52	-1.0	-47.85	411.28	8.64	-39.21
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017215925	0	42	-1.0	-54.52	374.07	4.57	-49.95
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215926	0	41	-1.0	-53.06	337.95	6.09	-46.97
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017215927	0	34	-1.0	-51.36	311.02	7.32	-44.04
COC1=CC(F)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300017215928	0	40	-1.0	-49.73	337.44	4.10	-45.63
COC1=CC(C)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300017215929	0	43	-1.0	-50.03	340.53	4.49	-45.54
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017215930	0	34	-1.0	-50.02	311.56	7.40	-42.62
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215931	0	40	-1.0	-54.72	333.99	6.58	-48.14
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017215932	0	35	-1.0	-53.33	316.25	5.94	-47.39
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300017215933	0	37	-1.0	-53.48	318.77	1.17	-52.31
CC1=CC(Cl)=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215934	0	35	-1.0	-46.64	298.65	5.80	-40.84
CCOC(=O)C1CCCN1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215935	0	43	-1.0	-53.02	350.98	5.76	-47.26
CNC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CN1C	REAL300017215936	0	40	-1.0	-52.55	340.63	2.66	-49.89
COC1=CC(C)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300017215937	0	42	-1.0	-48.23	326.72	5.55	-42.68
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017215938	0	40	-1.0	-51.32	340.22	4.31	-47.01
COC(=O)C1=CC=C(CS(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017215939	0	41	-1.0	-52.43	355.64	6.40	-46.03
COC(=O)C1CCN(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300017215940	0	43	-1.0	-52.83	349.72	4.82	-48.01
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017215941	0	43	-1.0	-51.69	352.63	5.14	-46.55
COC(=O)C1=CC=CC(CS(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215942	0	41	-1.0	-56.10	355.38	6.38	-49.72
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300017215943	0	38	-1.0	-49.11	337.19	4.75	-44.36
COC(=O)CCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017215944	0	45	-1.0	-52.19	383.34	6.09	-46.10
COC1=CC(C)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300017215945	0	42	-1.0	-48.63	331.37	5.32	-43.31
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017215946	0	36	-1.0	-56.70	315.49	5.36	-51.34
CCOC(=O)CCCS(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215947	0	40	-1.0	-53.76	339.43	5.22	-48.54
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017215948	0	35	-1.0	-50.87	307.04	6.59	-44.28
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017215949	0	34	-1.0	-51.10	315.58	7.42	-43.68
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215950	0	37	-1.0	-78.88	291.57	7.59	-71.29
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017215951	0	34	-1.0	-47.24	313.51	6.07	-41.17
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Br)C=CS1	REAL300017215952	0	29	-1.0	-48.39	286.33	4.71	-43.68
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017215953	0	36	-1.0	-51.15	308.15	5.19	-45.96
CC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300017215954	0	40	-1.0	-50.08	321.07	6.20	-43.88
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017215955	0	34	-1.0	-53.11	312.28	4.36	-48.75
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017215956	0	40	-1.0	-51.64	337.46	4.12	-47.52
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017215957	0	31	-1.0	-46.47	300.10	3.96	-42.51
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017215958	0	34	-1.0	-47.57	305.97	5.61	-41.96
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017215959	0	34	-1.0	-48.44	320.60	6.15	-42.29
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215960	0	41	-1.0	-53.88	356.59	3.51	-50.37
CCN1C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300017215961	0	37	-1.0	-53.32	328.84	5.75	-47.57
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017215962	0	34	-1.0	-53.59	311.17	6.39	-47.20
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017215963	0	34	-1.0	-46.97	311.31	5.75	-41.22
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017215964	0	39	-1.0	-50.03	347.96	5.70	-44.33
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017215965	0	34	-1.0	-52.12	316.20	7.37	-44.75
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017215966	0	46	-1.0	-50.13	388.47	8.27	-41.86
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300017215967	0	40	-1.0	-57.62	351.22	1.58	-56.04
CCC(=O)C1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215968	0	40	-1.0	-55.54	339.85	6.26	-49.28
CCOC(=O)N1CCN(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300017215969	0	45	-1.0	-50.11	363.37	3.87	-46.24
COC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=C(Cl)N=C2C=C1	REAL300017215970	0	41	-1.0	-51.62	352.45	6.12	-45.50
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017215971	0	42	-1.0	-52.06	363.11	6.57	-45.49
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017215972	0	35	-1.0	-61.60	303.59	4.25	-57.35
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215973	0	54	-1.0	-48.03	413.71	7.98	-40.05
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300017215974	0	40	-1.0	-56.05	354.32	1.63	-54.42
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=CC(F)=C1	REAL300017215975	0	35	-1.0	-52.04	307.41	5.79	-46.25
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300017215976	0	38	-1.0	-56.18	342.26	2.54	-53.64
CCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300017215977	0	45	-1.0	-51.34	368.94	7.84	-43.50
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215978	0	42	-1.0	-50.76	343.54	6.39	-44.37
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017215979	0	37	-1.0	-59.63	324.85	5.20	-54.43
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017215980	0	39	-1.0	-51.84	337.25	6.13	-45.71
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017215981	0	34	-1.0	-50.11	321.53	6.12	-43.99
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300017215982	0	33	-1.0	-55.39	293.35	5.08	-50.31
CCOCCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017215983	0	46	-1.0	-50.53	383.88	5.47	-45.06
CCCCCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017215984	0	48	-1.0	-48.62	393.00	7.58	-41.04
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017215985	0	34	-1.0	-56.88	294.93	6.89	-49.99
COC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1F	REAL300017215986	0	38	-1.0	-51.18	336.47	5.67	-45.51
COC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300017215987	0	38	-1.0	-46.55	347.65	6.16	-40.39
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215988	0	42	-1.0	-53.41	354.01	5.56	-47.85
COC(=O)CC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300017215989	0	38	-1.0	-53.00	346.19	5.60	-47.40
COC(=O)C1=CSC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215990	0	35	-1.0	-51.04	324.61	4.67	-46.37
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215991	0	44	-1.0	-54.18	365.52	7.16	-47.02
COC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300017215992	0	38	-1.0	-49.85	344.45	6.04	-43.81
COC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1C	REAL300017215993	0	41	-1.0	-49.94	347.93	6.17	-43.77
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215994	0	38	-1.0	-50.75	332.43	5.51	-45.24
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017215995	0	42	-1.0	-48.58	333.88	7.77	-40.81
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017215996	0	38	-1.0	-50.74	325.21	6.81	-43.93
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=CC(Br)=C1	REAL300017215997	0	31	-1.0	-46.98	293.14	3.80	-43.18
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017215998	0	36	-1.0	-47.43	333.17	6.46	-40.97
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2COCC2=C1	REAL300017215999	0	37	-1.0	-49.44	313.09	4.29	-45.15
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017216000	0	37	-1.0	-50.60	327.84	0.46	-50.14
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017216085	0	35	-1.0	-49.55	307.59	5.90	-43.65
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017216086	0	35	-1.0	-45.68	332.50	6.55	-39.13
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017216087	0	35	-1.0	-47.09	316.49	5.87	-41.22
CC1=CC(Br)=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216088	0	35	-1.0	-47.08	319.76	6.29	-40.79
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216089	0	43	-1.0	-54.95	354.82	3.69	-51.26
CSC1=CC=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216090	0	36	-1.0	-51.05	305.00	5.69	-45.36
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216091	0	43	-1.0	-51.99	349.89	5.03	-46.96
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017216092	0	44	-1.0	-52.80	371.13	4.81	-47.99
COC1=C(F)C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017216093	0	38	-1.0	-48.77	340.54	5.84	-42.93
COC(=O)NC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017216094	0	42	-1.0	-50.69	367.30	4.26	-46.43
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017216095	0	43	-1.0	-60.95	375.57	6.82	-54.13
COC(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(OC)=C1	REAL300017216096	0	42	-1.0	-50.99	355.56	5.47	-45.52
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216097	0	35	-1.0	-45.51	311.54	6.13	-39.38
CC1=CC(C)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017216098	0	40	-1.0	-50.24	325.42	6.44	-43.80
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017216099	0	40	-1.0	-55.33	339.03	6.30	-49.03
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017216100	0	38	-1.0	-58.46	316.66	1.23	-57.23
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300017216101	0	42	-1.0	-52.81	357.31	5.93	-46.88
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017216102	0	37	-1.0	-54.78	325.39	5.17	-49.61
COC1=CC(F)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300017216103	0	36	-1.0	-48.74	314.35	4.58	-44.16
CCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300017216104	0	42	-1.0	-48.45	334.54	5.71	-42.74
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216105	0	40	-1.0	-54.57	352.03	1.20	-53.37
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216106	0	41	-1.0	-53.72	349.51	6.74	-46.98
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017216107	0	36	-1.0	-50.80	309.75	5.11	-45.69
CSC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216108	0	36	-1.0	-48.78	317.33	6.02	-42.76
CCCOC(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216109	0	44	-1.0	-48.77	374.87	7.40	-41.37
CCC(=O)NC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216110	0	42	-1.0	-54.94	353.70	4.71	-50.23
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017216111	0	38	-1.0	-52.31	339.67	6.72	-45.59
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216112	0	43	-1.0	-50.15	348.67	6.87	-43.28
CCN1C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)N=C1C	REAL300017216113	0	38	-1.0	-54.80	322.73	4.80	-50.00
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017216114	0	31	-1.0	-48.31	290.22	3.61	-44.70
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017216115	0	38	-1.0	-50.44	309.64	4.48	-45.96
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300017216116	0	37	-1.0	-54.53	307.29	5.14	-49.39
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017216117	0	44	-1.0	-51.40	370.48	6.97	-44.43
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017216118	0	32	-1.0	-51.09	283.93	4.91	-46.18
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017216119	0	32	-1.0	-47.13	299.10	5.56	-41.57
CC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017216120	0	38	-1.0	-48.71	331.20	6.52	-42.19
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017216121	0	38	-1.0	-49.97	349.90	5.76	-44.21
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C12	REAL300017216122	0	40	-1.0	-50.83	341.73	4.76	-46.07
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017216123	0	35	-1.0	-51.11	327.20	6.38	-44.73
CC1=NOC2=NC=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C12	REAL300017216124	0	36	-1.0	-51.87	316.48	2.00	-49.87
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017216125	0	41	-1.0	-50.47	358.08	7.86	-42.61
COCC1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216126	0	39	-1.0	-49.26	332.12	4.73	-44.53
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017216127	0	34	-1.0	-47.14	307.87	5.74	-41.40
COC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300017216128	0	41	-1.0	-54.69	371.30	6.14	-48.55
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216129	0	38	-1.0	-53.86	330.20	6.88	-46.98
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017216130	0	35	-1.0	-51.33	314.52	6.17	-45.16
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017216131	0	44	-1.0	-61.93	372.02	3.53	-58.40
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017216132	0	39	-1.0	-51.77	346.30	5.53	-46.24
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017216133	0	32	-1.0	-46.32	299.46	5.66	-40.66
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017216134	0	40	-1.0	-50.58	346.47	2.48	-48.10
CCOC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1F	REAL300017216167	0	41	-1.0	-50.29	357.88	6.62	-43.67
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017216168	0	40	-1.0	-52.81	341.61	5.96	-46.85
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017216169	0	32	-1.0	-47.38	289.70	5.28	-42.10
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216170	0	51	-1.0	-62.61	389.28	8.17	-54.44
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017216171	0	35	-1.0	-50.73	327.98	6.61	-44.12
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017216172	0	33	-1.0	-48.08	298.51	5.49	-42.59
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300017216173	0	39	-1.0	-53.08	348.13	4.44	-48.64
CC1CC2=CC(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C2O1	REAL300017216174	0	40	-1.0	-48.54	334.10	5.63	-42.91
COC1=CC(Cl)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300017216175	0	36	-1.0	-46.67	323.54	4.89	-41.78
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216176	0	44	-1.0	-47.23	323.66	7.61	-39.62
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216177	0	44	-1.0	-53.22	365.33	4.08	-49.14
COC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CS1	REAL300017216178	0	35	-1.0	-51.35	324.33	4.69	-46.66
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216179	0	41	-1.0	-55.54	362.12	7.82	-47.72
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017216180	0	43	-1.0	-48.06	383.87	8.46	-39.60
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017216181	0	38	-1.0	-50.56	343.62	5.64	-44.92
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017216182	0	38	-1.0	-49.75	360.22	6.21	-43.54
COC(=O)C1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1C	REAL300017216183	0	41	-1.0	-51.50	333.55	5.98	-45.52
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017216184	0	34	-1.0	-47.29	326.66	6.29	-41.00
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216185	0	36	-1.0	-46.35	327.84	5.77	-40.58
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216186	0	44	-1.0	-50.47	352.00	5.50	-44.97
CCOC(=O)N1CCC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300017216187	0	46	-1.0	-52.24	364.72	4.83	-47.41
CC1=NC(C2=CC=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)=CO1	REAL300017216188	0	41	-1.0	-53.31	353.55	4.06	-49.25
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017216189	0	31	-1.0	-46.64	304.24	4.08	-42.56
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017216190	0	35	-1.0	-50.86	306.84	5.41	-45.45
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017216191	0	35	-1.0	-49.13	303.08	3.67	-45.46
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017216192	0	40	-1.0	-49.59	330.48	5.62	-43.97
COC1=CC=C(Cl)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216193	0	36	-1.0	-49.95	312.62	4.61	-45.34
COC(=O)C1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300017216194	0	41	-1.0	-51.70	359.60	7.43	-44.27
COC(=O)CC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216195	0	41	-1.0	-52.62	353.66	6.45	-46.17
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017216196	0	39	-1.0	-50.15	321.13	6.79	-43.36
CC1=CC=C(N2C=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=N2)C=C1	REAL300017216197	0	42	-1.0	-52.07	359.11	6.79	-45.28
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017216198	0	50	-1.0	-54.77	414.99	7.05	-47.72
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017216199	0	50	-1.0	-55.04	413.90	7.03	-48.01
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017216200	0	47	-1.0	-52.57	400.89	6.26	-46.31
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300017216201	0	34	-1.0	-49.16	316.06	5.37	-43.79
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C21	REAL300017216202	0	43	-1.0	-60.09	355.86	6.03	-54.06
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017216203	0	32	-1.0	-49.10	294.62	5.55	-43.55
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017216204	0	32	-1.0	-47.12	312.32	6.10	-41.02
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216205	0	42	-1.0	-50.80	334.83	6.57	-44.23
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1C#N	REAL300017216206	0	36	-1.0	-48.14	315.37	5.93	-42.21
COC(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300017216207	0	38	-1.0	-50.89	335.06	5.73	-45.16
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216208	0	36	-1.0	-49.88	316.69	5.38	-44.50
COC1=CC=C(C)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216209	0	39	-1.0	-50.58	312.76	4.74	-45.84
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017216210	0	33	-1.0	-49.11	316.69	5.91	-43.20
COC1=CC(C)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300017216211	0	39	-1.0	-47.91	329.98	5.31	-42.60
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300017216212	0	38	-1.0	-46.92	355.36	5.90	-41.02
CC(=O)NC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300017216213	0	39	-1.0	-51.26	337.75	4.04	-47.22
COC1=CC(Cl)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300017216214	0	40	-1.0	-49.41	341.81	4.51	-44.90
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017216215	0	36	-1.0	-50.34	322.04	4.66	-45.68
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017216216	0	35	-1.0	-47.14	320.08	6.09	-41.05
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300017216217	0	43	-1.0	-52.82	368.43	1.99	-50.83
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C2S1	REAL300017216218	0	44	-1.0	-50.38	391.67	8.05	-42.33
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017216219	0	36	-1.0	-53.65	317.64	6.20	-47.45
COC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(Br)=C1	REAL300017216220	0	36	-1.0	-48.56	314.75	4.72	-43.84
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017216221	0	37	-1.0	-57.60	333.59	0.60	-57.00
CC1=CC2=C(C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)OCO2	REAL300017216222	0	38	-1.0	-49.20	307.87	3.94	-45.26
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216223	0	38	-1.0	-52.64	321.04	6.17	-46.47
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017216224	0	32	-1.0	-46.21	294.49	5.60	-40.61
CC1=CC(F)=CC(C)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216225	0	38	-1.0	-45.62	302.85	6.40	-39.22
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017216226	0	32	-1.0	-46.41	296.41	5.59	-40.82
COC1=CC2=C(C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)OCC(=O)N2	REAL300017216227	0	42	-1.0	-52.86	349.45	2.11	-50.75
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C#N)S1	REAL300017216228	0	30	-1.0	-48.56	289.65	4.55	-44.01
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017216229	0	33	-1.0	-52.41	298.65	3.41	-49.00
COC1=CN=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216230	0	35	-1.0	-48.86	301.27	2.48	-46.38
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017216231	0	32	-1.0	-50.34	299.38	5.50	-44.84
COC(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300017216232	0	42	-1.0	-51.75	358.91	5.70	-46.05
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017216233	0	36	-1.0	-52.37	328.32	2.30	-50.07
CCOC1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216234	0	39	-1.0	-50.32	327.58	5.24	-45.08
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017216235	0	43	-1.0	-52.06	351.43	6.30	-45.76
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017216236	0	36	-1.0	-50.27	333.44	6.18	-44.09
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017216274	0	33	-1.0	-54.66	303.33	5.46	-49.20
CC1=CC=C(C#N)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216275	0	36	-1.0	-49.02	305.22	5.84	-43.18
COC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300017216276	0	46	-1.0	-54.64	376.91	5.14	-49.50
CC1CC2=CC(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300017216277	0	40	-1.0	-48.40	349.19	6.15	-42.25
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017216278	0	37	-1.0	-47.77	320.05	6.22	-41.55
CC1=CC=C(Br)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216279	0	35	-1.0	-48.57	300.60	5.80	-42.77
COC(=O)C1=COC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216280	0	35	-1.0	-51.15	315.30	3.78	-47.37
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300017216281	0	43	-1.0	-54.99	363.95	5.77	-49.22
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017216282	0	34	-1.0	-49.54	308.70	4.50	-45.04
CC(=O)N(C)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216283	0	42	-1.0	-56.13	343.95	5.23	-50.90
COC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)SC=C1	REAL300017216284	0	33	-1.0	-51.94	297.47	4.02	-47.92
CC(=O)NC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1C	REAL300017216285	0	42	-1.0	-58.74	351.10	4.76	-53.98
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCCC(F)(F)F	REAL300017216286	0	34	-1.0	-50.65	301.73	4.65	-46.00
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017216287	0	37	-1.0	-54.55	322.47	5.11	-49.44
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017216288	0	38	-1.0	-54.29	317.84	2.66	-51.63
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017216289	0	44	-1.0	-49.59	350.96	5.56	-44.03
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017216290	0	34	-1.0	-48.64	312.26	4.32	-44.32
CC1=CC=C(Cl)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216291	0	35	-1.0	-48.56	299.17	5.76	-42.80
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216292	0	40	-1.0	-54.25	330.12	5.50	-48.75
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CN=C1Cl	REAL300017216293	0	34	-1.0	-47.83	307.35	4.23	-43.60
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017216294	0	38	-1.0	-52.26	328.45	4.07	-48.19
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017216295	0	31	-1.0	-50.11	298.30	4.77	-45.34
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017216296	0	41	-1.0	-47.47	348.40	6.68	-40.79
CC1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1C#N	REAL300017216297	0	36	-1.0	-54.44	306.35	5.58	-48.86
COC1=CC(OC)=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216298	0	40	-1.0	-50.84	335.19	3.62	-47.22
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017216299	0	33	-1.0	-48.57	298.93	5.43	-43.14
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017216300	0	38	-1.0	-55.49	325.42	6.36	-49.13
CC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017216301	0	40	-1.0	-56.24	324.35	6.54	-49.70
CCC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1CC	REAL300017216302	0	44	-1.0	-48.08	354.10	7.57	-40.51
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216303	0	40	-1.0	-46.31	326.15	7.02	-39.29
CC1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1Cl	REAL300017216304	0	35	-1.0	-49.07	296.89	5.62	-43.45
COC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C(C)O1	REAL300017216305	0	38	-1.0	-50.01	327.17	4.25	-45.76
CC1=C(C)SC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216306	0	35	-1.0	-48.62	309.36	5.35	-43.27
CC1=CC=CC(F)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216307	0	35	-1.0	-49.44	286.74	5.61	-43.83
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017216308	0	33	-1.0	-46.32	292.85	2.85	-43.47
CCC1=NC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300017216309	0	34	-1.0	-48.19	306.80	3.57	-44.62
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017216310	0	38	-1.0	-57.26	326.85	6.38	-50.88
COC(=O)C1=NSC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216311	0	34	-1.0	-56.10	312.18	3.78	-52.32
COC(=O)C1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)SC=N1	REAL300017216312	0	34	-1.0	-52.64	314.64	3.26	-49.38
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC(C)=C1F	REAL300017216313	0	38	-1.0	-47.40	323.84	6.33	-41.07
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017216314	0	40	-1.0	-57.23	336.67	3.48	-53.75
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017216315	0	43	-1.0	-49.10	340.57	3.07	-46.03
COC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CN1C	REAL300017216316	0	39	-1.0	-54.44	337.93	5.10	-49.34
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017216317	0	31	-1.0	-47.41	288.34	3.72	-43.69
CC1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300017216318	0	35	-1.0	-50.84	298.12	5.56	-45.28
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216319	0	43	-1.0	-50.17	358.03	6.88	-43.29
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017216320	0	35	-1.0	-49.69	322.52	6.27	-43.42
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017216321	0	35	-1.0	-51.82	323.16	6.28	-45.54
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017216322	0	32	-1.0	-50.96	292.65	5.81	-45.15
CC1=CC(F)=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216323	0	35	-1.0	-48.14	304.59	5.73	-42.41
COC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CN=C1Cl	REAL300017216324	0	35	-1.0	-48.07	317.56	2.98	-45.09
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017216325	0	36	-1.0	-54.03	327.13	6.14	-47.89
COC(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300017216326	0	37	-1.0	-49.70	327.45	3.85	-45.85
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017216327	0	31	-1.0	-48.22	291.90	4.33	-43.89
COCC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216328	0	39	-1.0	-48.77	330.52	4.76	-44.01
COC1=CC(C#N)=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216329	0	37	-1.0	-50.22	321.61	5.20	-45.02
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216330	0	38	-1.0	-48.72	348.22	6.18	-42.54
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017216331	0	35	-1.0	-48.55	309.40	2.61	-45.94
CCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300017216332	0	38	-1.0	-48.17	325.72	2.63	-45.54
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017216333	0	41	-1.0	-60.60	362.18	3.20	-57.40
CC(=O)NC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1F	REAL300017216334	0	39	-1.0	-55.01	338.13	4.02	-50.99
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C21	REAL300017216335	0	46	-1.0	-59.79	369.69	6.66	-53.13
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017216336	0	35	-1.0	-51.52	301.89	3.64	-47.88
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216337	0	38	-1.0	-46.62	320.98	6.31	-40.31
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216338	0	42	-1.0	-58.47	361.58	2.34	-56.13
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C2CC1	REAL300017216339	0	49	-1.0	-52.76	387.39	6.94	-45.82
COC(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017216340	0	41	-1.0	-50.73	361.62	6.48	-44.25
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216341	0	41	-1.0	-48.45	343.64	7.13	-41.32
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017216342	0	35	-1.0	-48.27	303.85	5.95	-42.32
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017216343	0	35	-1.0	-47.58	321.55	6.98	-40.60
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216344	0	46	-1.0	-56.22	388.26	3.21	-53.01
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216345	0	45	-1.0	-52.45	374.47	6.37	-46.08
CCOC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1C	REAL300017216346	0	44	-1.0	-49.16	368.57	7.15	-42.01
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216347	0	44	-1.0	-52.59	374.27	7.38	-45.21
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1OC	REAL300017216348	0	43	-1.0	-53.08	367.39	4.79	-48.29
CCOC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C(F)C=C1C	REAL300017216349	0	44	-1.0	-47.79	370.30	6.99	-40.80
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017216350	0	38	-1.0	-49.72	339.05	7.02	-42.70
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216351	0	41	-1.0	-51.62	354.39	6.48	-45.14
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017216352	0	42	-1.0	-49.83	349.63	8.44	-41.39
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216353	0	46	-1.0	-52.80	395.84	2.81	-49.99
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=CC=C1Br	REAL300017216354	0	35	-1.0	-51.43	317.08	6.30	-45.13
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CN1C	REAL300017216355	0	44	-1.0	-52.63	378.78	6.21	-46.42
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017216356	0	36	-1.0	-49.80	323.20	5.90	-43.90
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017216357	0	35	-1.0	-49.85	311.23	5.94	-43.91
CC1=NC(Cl)=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216358	0	34	-1.0	-47.71	295.48	4.07	-43.64
CC1=NC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C(Br)N1C	REAL300017216359	0	35	-1.0	-52.58	316.95	4.52	-48.06
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017216360	0	33	-1.0	-48.59	299.96	3.88	-44.71
COC(=O)C(C)(C)CS(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216361	0	40	-1.0	-49.32	325.63	4.93	-44.39
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216362	0	45	-1.0	-55.14	371.11	5.88	-49.26
COC(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300017216363	0	38	-1.0	-48.51	332.40	5.53	-42.98
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216364	0	43	-1.0	-53.31	369.48	4.41	-48.90
CC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300017216365	0	47	-1.0	-49.86	390.02	7.81	-42.05
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216366	0	44	-1.0	-55.07	380.40	4.22	-50.85
COC(=O)C1(CS(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CCCC1	REAL300017216367	0	44	-1.0	-52.60	350.41	6.19	-46.41
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216368	0	39	-1.0	-48.81	348.38	5.25	-43.56
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300017216369	0	38	-1.0	-46.58	329.84	6.54	-40.04
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017216370	0	43	-1.0	-48.44	383.40	8.38	-40.06
COC(=O)CC1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216371	0	41	-1.0	-54.05	353.53	6.45	-47.60
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC12CCC(CC1)C2	REAL300017216372	0	42	-1.0	-48.33	325.91	6.40	-41.93
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017216373	0	38	-1.0	-51.16	337.96	6.95	-44.21
COC(=O)C1(CS(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CCC1	REAL300017216374	0	41	-1.0	-55.27	335.95	5.46	-49.81
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017216375	0	32	-1.0	-46.87	309.40	5.18	-41.69
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216376	0	45	-1.0	-51.44	386.91	5.38	-46.06
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216377	0	48	-1.0	-51.99	408.50	6.29	-45.70
COC(=O)C1(CS(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CCCCC1	REAL300017216378	0	47	-1.0	-51.78	358.46	7.11	-44.67
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216379	0	40	-1.0	-52.25	346.60	5.99	-46.26
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017216380	0	34	-1.0	-55.60	301.00	3.84	-51.76
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017216381	0	36	-1.0	-52.92	304.95	4.79	-48.13
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300017216382	0	45	-1.0	-52.88	376.93	8.83	-44.05
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017216383	0	35	-1.0	-50.35	332.01	6.74	-43.61
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017216384	0	35	-1.0	-52.50	322.74	6.34	-46.16
COC1=CC=C(Br)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300017216385	0	36	-1.0	-51.23	321.31	5.12	-46.11
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216386	0	42	-1.0	-51.69	351.38	7.33	-44.36
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCC(C)(C)C1CC1	REAL300017216387	0	44	-1.0	-48.14	340.97	6.44	-41.70
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017216388	0	36	-1.0	-48.99	323.21	6.61	-42.38
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCCC1=CC=CC=C1	REAL300017216389	0	41	-1.0	-50.32	342.11	7.33	-42.99
CC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300017216391	0	36	-1.0	-52.90	313.04	0.42	-52.48
CCCC1=CC=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216395	0	41	-1.0	-47.78	327.46	7.61	-40.17
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017216396	0	41	-1.0	-54.16	338.69	5.74	-48.42
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CSC=C1C(F)F	REAL300017216397	0	32	-1.0	-53.62	294.10	5.14	-48.48
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017216398	0	38	-1.0	-51.69	328.54	6.57	-45.12
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216399	0	48	-1.0	-51.60	391.28	7.82	-43.78
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017216400	0	37	-1.0	-53.47	306.15	5.18	-48.29
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300017216401	0	52	-1.0	-56.02	402.07	7.41	-48.61
COC(=O)C1=CN(C)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216402	0	39	-1.0	-53.80	334.10	5.06	-48.74
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017216403	0	46	-1.0	-50.44	371.01	5.12	-45.32
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017216404	0	47	-1.0	-61.11	387.83	7.65	-53.46
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C21	REAL300017216405	0	46	-1.0	-60.97	377.64	6.93	-54.04
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017216406	0	39	-1.0	-50.48	326.72	4.68	-45.80
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=NN1C1CCC1	REAL300017216407	0	39	-1.0	-47.71	323.90	4.87	-42.84
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017216408	0	42	-1.0	-47.42	337.09	5.67	-41.75
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017216416	0	38	-1.0	-49.04	343.60	5.92	-43.12
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017216417	0	38	-1.0	-51.78	327.94	2.22	-49.56
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Br)C=CO1	REAL300017216418	0	29	-1.0	-48.44	280.89	3.60	-44.84
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=C2CCCCN12	REAL300017216419	0	39	-1.0	-50.63	317.40	5.07	-45.56
COC1=C(F)C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300017216420	0	36	-1.0	-47.58	322.64	4.54	-43.04
COC1=CC(F)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300017216421	0	36	-1.0	-47.58	313.39	4.31	-43.27
CCCCCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300017216422	0	57	-1.0	-48.21	451.22	9.61	-38.60
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300017216423	0	48	-1.0	-49.09	381.42	7.23	-41.86
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216424	0	42	-1.0	-49.08	345.26	6.31	-42.77
CCOCCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300017216425	0	55	-1.0	-50.80	442.21	7.46	-43.34
CC1=CSC(C)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216426	0	35	-1.0	-46.27	293.84	5.50	-40.77
CC1CC2=CC=CC(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)=C2O1	REAL300017216427	0	40	-1.0	-52.21	330.94	5.65	-46.56
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300017216428	0	40	-1.0	-48.09	345.45	4.66	-43.43
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300017216429	0	40	-1.0	-53.52	345.27	7.22	-46.30
COC1=C(F)C=CC(F)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216430	0	36	-1.0	-49.26	312.24	5.68	-43.58
CC1=C(Br)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C(C)S1	REAL300017216431	0	35	-1.0	-47.07	314.94	6.15	-40.92
CC1=CC(Cl)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(Br)=C1	REAL300017216432	0	35	-1.0	-47.71	320.02	6.96	-40.75
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C21	REAL300017216433	0	49	-1.0	-59.77	387.21	7.11	-52.66
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017216434	0	38	-1.0	-51.54	327.51	5.53	-46.01
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C21	REAL300017216435	0	46	-1.0	-60.37	377.25	6.63	-53.74
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CSC=C1Cl	REAL300017216436	0	29	-1.0	-48.32	276.22	4.23	-44.09
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Br)=NN1C	REAL300017216437	0	32	-1.0	-47.08	295.33	2.99	-44.09
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017216438	0	34	-1.0	-46.75	310.82	4.20	-42.55
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216439	0	37	-1.0	-58.21	315.08	4.56	-53.65
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017216440	0	41	-1.0	-47.02	321.63	4.94	-42.08
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017216441	0	36	-1.0	-51.00	327.29	5.49	-45.51
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017216442	0	33	-1.0	-47.85	292.01	3.79	-44.06
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017216443	0	35	-1.0	-49.30	315.89	6.44	-42.86
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017216444	0	36	-1.0	-50.60	327.59	5.45	-45.15
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017216445	0	35	-1.0	-57.92	321.47	4.72	-53.20
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300017216446	0	39	-1.0	-47.52	328.96	4.76	-42.76
CC1=CC(C)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1F	REAL300017216447	0	41	-1.0	-46.95	324.56	7.07	-39.88
COC1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1OC	REAL300017216448	0	40	-1.0	-51.14	326.17	4.86	-46.28
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017216449	0	41	-1.0	-55.40	345.15	2.21	-53.19
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300017216450	0	33	-1.0	-49.33	317.29	5.89	-43.44
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=COC2=CC=CC=C12	REAL300017216451	0	35	-1.0	-49.99	302.56	5.21	-44.78
COC1=CC=C(F)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1OC	REAL300017216452	0	40	-1.0	-51.64	335.91	5.33	-46.31
COC(=O)C1=C(Br)OC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216453	0	35	-1.0	-48.03	335.20	4.40	-43.63
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300017216454	0	45	-1.0	-51.09	358.16	5.65	-45.44
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300017216455	0	36	-1.0	-49.73	326.16	6.89	-42.84
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300017216457	0	39	-1.0	-51.15	326.74	4.68	-46.47
CN(C(=O)CC1=C(Cl)C=CC=C1Cl)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216458	0	34	-1.0	-47.70	307.84	8.80	-38.90
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017216459	0	36	-1.0	-50.88	316.38	4.57	-46.31
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017216460	0	36	-1.0	-53.20	326.74	5.37	-47.83
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017216461	0	35	-1.0	-51.39	306.12	4.21	-47.18
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300017216462	0	37	-1.0	-59.82	317.28	3.52	-56.30
CC1=CC(C)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300017216464	0	38	-1.0	-46.85	319.20	6.51	-40.34
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CCCC(C)(C)C1	REAL300017216465	0	43	-1.0	-47.94	330.65	5.41	-42.53
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017216466	0	38	-1.0	-48.52	345.08	6.13	-42.39
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017216467	0	35	-1.0	-49.56	303.67	5.09	-44.47
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300017216468	0	42	-1.0	-49.31	349.90	5.45	-43.86
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216469	0	50	-1.0	-48.74	383.25	8.55	-40.19
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017216470	0	38	-1.0	-48.08	346.67	6.90	-41.18
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Cl)SC=C1	REAL300017216471	0	29	-1.0	-46.81	272.21	4.11	-42.70
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017216472	0	42	-1.0	-51.49	350.75	5.65	-45.84
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017216473	0	36	-1.0	-48.95	309.97	6.06	-42.89
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017216474	0	43	-1.0	-48.61	365.75	7.69	-40.92
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300017216475	0	45	-1.0	-54.61	365.22	3.43	-51.18
COC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017216476	0	41	-1.0	-58.97	340.89	6.23	-52.74
CCCC1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216477	0	41	-1.0	-48.74	341.55	7.20	-41.54
COC(=O)C1=NN(C)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216478	0	38	-1.0	-50.65	332.03	3.31	-47.34
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300017216479	0	33	-1.0	-50.34	287.30	4.98	-45.36
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C2CCCC2=NN1C	REAL300017216480	0	39	-1.0	-49.41	321.08	4.57	-44.84
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017216481	0	36	-1.0	-47.65	333.24	6.34	-41.31
COC(=O)C1=CC2=CC=C(S(=O)(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C2C=C1	REAL300017216482	0	44	-1.0	-51.54	377.87	7.91	-43.63
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300017216483	0	41	-1.0	-47.41	320.30	4.68	-42.73
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300017216484	0	41	-1.0	-50.67	341.55	4.73	-45.94
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CNN=C1C1CCC1	REAL300017216485	0	39	-1.0	-50.36	319.53	3.86	-46.50
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300017216486	0	37	-1.0	-48.41	327.47	4.77	-43.64
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017216487	0	35	-1.0	-45.89	322.18	6.08	-39.81
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(CF)C=C1	REAL300017216488	0	35	-1.0	-50.05	304.77	5.81	-44.24
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017216489	0	32	-1.0	-49.42	300.72	5.42	-44.00
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017216490	0	32	-1.0	-46.82	307.17	5.14	-41.68
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CCC(F)(F)CC1	REAL300017216491	0	37	-1.0	-48.17	307.12	4.31	-43.86
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017216492	0	35	-1.0	-46.60	328.93	6.43	-40.17
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017216493	0	35	-1.0	-55.46	299.20	6.36	-49.10
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216494	0	43	-1.0	-55.55	361.77	7.03	-48.52
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017216495	0	43	-1.0	-48.97	343.82	7.94	-41.03
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300017216496	0	42	-1.0	-55.71	356.80	6.70	-49.01
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017216497	0	38	-1.0	-47.88	339.46	6.05	-41.83
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017216498	0	38	-1.0	-48.47	319.53	5.43	-43.04
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300017216499	0	37	-1.0	-50.42	329.87	5.57	-44.85
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216500	0	42	-1.0	-48.69	372.75	5.79	-42.90
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017216501	0	41	-1.0	-59.01	350.70	5.05	-53.96
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017216502	0	32	-1.0	-49.95	299.82	5.27	-44.68
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300017216503	0	39	-1.0	-48.86	326.38	7.10	-41.76
COC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=CS1	REAL300017216504	0	33	-1.0	-49.59	296.92	3.48	-46.11
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017216505	0	35	-1.0	-49.88	310.76	6.42	-43.46
COC(=O)C1=C(C)SC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216506	0	38	-1.0	-48.80	341.53	5.33	-43.47
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017216507	0	39	-1.0	-48.65	326.98	7.04	-41.61
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017216508	0	42	-1.0	-47.34	343.01	5.56	-41.78
CCC(C)N1N=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216509	0	41	-1.0	-47.30	338.19	4.87	-42.43
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216510	0	41	-1.0	-55.07	348.26	2.53	-52.54
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300017216511	0	35	-1.0	-53.70	330.69	1.50	-52.20
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N(C)C1CCCCCC1	REAL300017216512	0	46	-1.0	-46.60	344.06	5.85	-40.75
COC1=CC(F)=C(F)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216513	0	36	-1.0	-48.21	312.59	4.97	-43.24
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300017216514	0	46	-1.0	-51.31	368.40	3.88	-47.43
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300017216515	0	38	-1.0	-49.59	329.77	6.55	-43.04
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017216516	0	36	-1.0	-50.50	316.09	4.57	-45.93
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017216517	0	47	-1.0	-48.96	372.77	7.63	-41.33
COC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300017216518	0	33	-1.0	-47.51	299.18	3.49	-44.02
CC1=CC(C)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300017216519	0	43	-1.0	-56.08	342.54	7.18	-48.90
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017216520	0	40	-1.0	-49.95	333.15	5.10	-44.85
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(CCF)N=C1	REAL300017216521	0	35	-1.0	-51.16	309.80	3.70	-47.46
CCOCC1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216522	0	42	-1.0	-49.30	353.97	5.70	-43.60
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300017216525	0	42	-1.0	-49.57	356.64	6.12	-43.45
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017216526	0	45	-1.0	-49.91	362.96	5.96	-43.95
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017216527	0	43	-1.0	-48.97	367.13	7.92	-41.05
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC=C1CF	REAL300017216528	0	35	-1.0	-49.79	298.63	6.11	-43.68
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC(C)=C1Br	REAL300017216529	0	38	-1.0	-46.78	334.40	6.75	-40.03
CCN1N=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1Cl	REAL300017216530	0	35	-1.0	-47.68	312.45	3.73	-43.95
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017216531	0	36	-1.0	-49.68	327.31	6.70	-42.98
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)=C2	REAL300017216532	0	38	-1.0	-49.24	362.25	6.22	-43.02
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017216533	0	32	-1.0	-46.27	306.26	5.91	-40.36
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017216534	0	34	-1.0	-49.90	312.71	4.06	-45.84
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017216535	0	37	-1.0	-55.19	329.63	6.01	-49.18
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017216536	0	37	-1.0	-55.01	324.66	5.66	-49.35
CC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300017216537	0	41	-1.0	-51.52	329.13	7.54	-43.98
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216538	0	36	-1.0	-52.14	327.86	6.00	-46.14
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017216539	0	39	-1.0	-51.25	334.47	5.38	-45.87
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300017216540	0	46	-1.0	-50.86	380.89	6.49	-44.37
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017216541	0	32	-1.0	-48.31	299.13	5.45	-42.86
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300017216542	0	38	-1.0	-58.94	339.65	1.17	-57.77
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300017216543	0	42	-1.0	-51.06	342.93	6.04	-45.02
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017216544	0	38	-1.0	-52.31	347.78	2.42	-49.89
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017216545	0	36	-1.0	-49.40	314.85	6.27	-43.13
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017216546	0	36	-1.0	-47.89	330.24	6.80	-41.09
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017216547	0	36	-1.0	-48.91	329.74	6.83	-42.08
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017216548	0	36	-1.0	-48.45	320.98	6.31	-42.14
COC(=O)C1CCCCN1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216549	0	43	-1.0	-52.50	331.22	5.43	-47.07
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300017216550	0	54	-1.0	-48.57	406.80	9.17	-39.40
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300017216551	0	35	-1.0	-53.63	322.59	5.80	-47.83
COC1=CC=C(C=C(C)S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216552	0	43	-1.0	-48.61	353.48	6.17	-42.44
COC(=O)C=CC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216553	0	42	-1.0	-51.71	363.80	6.89	-44.82
CCOC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=NN1	REAL300017216554	0	38	-1.0	-49.94	336.99	2.82	-47.12
COC1=CSC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1OC	REAL300017216555	0	37	-1.0	-49.10	325.61	3.77	-45.33
CN(C(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216556	0	49	-1.0	-47.70	338.40	9.14	-38.56
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017216557	0	44	-1.0	-47.66	337.61	5.45	-42.21
CN(CCC1=CC=CC=C1)S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216558	0	43	-1.0	-49.09	356.63	6.81	-42.28
CN(C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216559	0	43	-1.0	-48.82	333.92	10.74	-38.08
CN(C(=O)N1CCC(CC2=CC=CC=C2)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216560	0	49	-1.0	-47.37	364.37	10.52	-36.85
CN(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216561	0	50	-1.0	-49.11	371.36	7.17	-41.94
CN(C(=O)N(C)C1CCS(=O)(=O)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216562	0	39	-1.0	-54.77	305.91	3.23	-51.54
CN(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216563	0	51	-1.0	-51.97	382.87	7.93	-44.04
COC(=O)C1CN(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CCO1	REAL300017216564	0	40	-1.0	-50.18	315.87	5.56	-44.62
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216565	0	36	-1.0	-48.31	326.03	6.17	-42.14
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017216566	0	36	-1.0	-52.06	328.22	5.96	-46.10
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017216567	0	36	-1.0	-50.47	321.23	4.68	-45.79
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300017216568	0	38	-1.0	-49.98	316.95	4.82	-45.16
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300017216569	0	39	-1.0	-52.40	330.83	6.77	-45.63
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017216570	0	35	-1.0	-52.84	308.29	6.27	-46.57
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017216571	0	41	-1.0	-49.25	354.33	5.52	-43.73
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017216572	0	29	-1.0	-45.37	301.64	5.12	-40.25
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300017216573	0	32	-1.0	-47.45	288.80	2.74	-44.71
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216574	0	45	-1.0	-51.52	367.56	7.41	-44.11
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300017216575	0	49	-1.0	-50.34	395.39	6.93	-43.41
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017216576	0	35	-1.0	-49.06	333.49	6.42	-42.64
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017216577	0	37	-1.0	-50.79	328.16	5.65	-45.14
COC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216578	0	40	-1.0	-53.08	329.07	4.82	-48.26
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017216579	0	43	-1.0	-50.46	365.43	7.85	-42.61
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300017216580	0	38	-1.0	-54.16	317.42	6.91	-47.25
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017216581	0	37	-1.0	-51.62	331.92	3.59	-48.03
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017216582	0	33	-1.0	-51.04	314.31	3.97	-47.07
COCN1N=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216583	0	36	-1.0	-49.40	307.66	1.37	-48.03
CC1=CC(Cl)=NC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216584	0	34	-1.0	-46.59	296.89	4.10	-42.49
C=C(C)COC1=CC=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216585	0	43	-1.0	-50.66	359.88	6.65	-44.01
CCN1C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300017216586	0	42	-1.0	-51.02	346.68	5.55	-45.47
CC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300017216587	0	36	-1.0	-53.75	310.29	4.14	-49.61
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017216588	0	38	-1.0	-48.07	339.37	7.78	-40.29
CC(=O)OC1CCN(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300017216589	0	40	-1.0	-49.86	336.68	4.14	-45.72
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017216590	0	42	-1.0	-47.73	366.34	8.96	-38.77
CCC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300017216591	0	38	-1.0	-46.60	336.09	6.88	-39.72
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216592	0	45	-1.0	-47.56	361.59	6.14	-41.42
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=CS1	REAL300017216593	0	29	-1.0	-45.98	285.59	4.52	-41.46
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216594	0	46	-1.0	-50.91	376.95	5.36	-45.55
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017216595	0	38	-1.0	-50.25	328.83	7.46	-42.79
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C2COCCC2=NN1C	REAL300017216596	0	40	-1.0	-49.11	323.59	2.55	-46.56
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300017216597	0	39	-1.0	-48.94	309.57	6.71	-42.23
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CCC(C)(C)CC1	REAL300017216598	0	43	-1.0	-46.62	329.56	5.08	-41.54
CC(=O)OCC1CCN(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300017216599	0	46	-1.0	-52.52	372.36	5.76	-46.76
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216600	0	46	-1.0	-58.11	388.42	5.42	-52.69
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017216601	0	42	-1.0	-51.23	333.87	2.26	-48.97
COC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=N1	REAL300017216602	0	38	-1.0	-48.36	310.77	2.12	-46.24
COC1=NC=C(C)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216603	0	38	-1.0	-50.76	319.19	2.88	-47.88
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017216604	0	47	-1.0	-49.99	378.89	5.36	-44.63
COC1=NC=C(Cl)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216605	0	35	-1.0	-47.25	312.42	2.66	-44.59
COC1=NC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300017216606	0	38	-1.0	-48.80	324.47	2.41	-46.39
CC(C)CN1C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300017216607	0	41	-1.0	-51.24	344.51	5.10	-46.14
CC1=NN(C(C)C)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216608	0	41	-1.0	-50.40	333.63	4.54	-45.86
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017216609	0	31	-1.0	-49.61	303.10	3.03	-46.58
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(C#N)C=CS1	REAL300017216610	0	30	-1.0	-50.93	285.32	4.33	-46.60
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017216611	0	36	-1.0	-48.27	339.65	7.12	-41.15
CC(C)N1N=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216612	0	38	-1.0	-48.30	319.45	4.24	-44.06
COC(=O)C1=NC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300017216613	0	40	-1.0	-49.25	343.48	4.38	-44.87
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300017216614	0	35	-1.0	-56.31	316.84	7.10	-49.21
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=NN1CC1CC1	REAL300017216615	0	39	-1.0	-47.70	320.43	5.10	-42.60
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017216616	0	39	-1.0	-49.32	332.31	6.27	-43.05
COC1=NOC(CS(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216617	0	35	-1.0	-53.73	308.95	1.30	-52.43
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CCC2=CC=CN=C21	REAL300017216618	0	37	-1.0	-54.11	311.67	5.40	-48.71
CC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=NN1C(C)C	REAL300017216619	0	41	-1.0	-50.51	334.33	4.69	-45.82
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017216620	0	39	-1.0	-51.59	338.21	7.25	-44.34
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017216621	0	34	-1.0	-49.04	304.46	4.03	-45.01
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300017216622	0	46	-1.0	-48.67	385.61	8.56	-40.11
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017216623	0	39	-1.0	-51.50	336.90	7.22	-44.28
CN(C(=O)N1CCC(C(F)(F)F)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216624	0	39	-1.0	-47.81	305.82	7.20	-40.61
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017216625	0	36	-1.0	-50.96	322.07	5.28	-45.68
CN(C(=O)N1CC=C(Br)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216626	0	34	-1.0	-46.07	279.21	6.97	-39.10
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017216627	0	35	-1.0	-49.64	309.94	5.81	-43.83
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300017216628	0	40	-1.0	-54.78	332.68	0.73	-54.05
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CC2CCC(C1)O2	REAL300017216629	0	39	-1.0	-47.37	307.16	3.13	-44.24
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CCC(C#N)CC1	REAL300017216630	0	38	-1.0	-51.03	315.33	4.49	-46.54
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017216632	0	39	-1.0	-48.20	329.73	7.49	-40.71
CC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(Cl)=C1Cl	REAL300017216633	0	35	-1.0	-49.01	311.98	6.09	-42.92
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017216634	0	36	-1.0	-47.38	323.71	4.73	-42.65
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017216635	0	39	-1.0	-50.15	345.04	6.06	-44.09
COC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(C(F)F)=C1	REAL300017216636	0	39	-1.0	-50.18	329.74	5.57	-44.61
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216637	0	38	-1.0	-47.04	334.76	3.13	-43.91
CC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300017216638	0	40	-1.0	-55.18	330.42	6.46	-48.72
CN(C(=O)N1CC(OCC2=CC=CC=C2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216639	0	44	-1.0	-49.50	353.44	7.98	-41.52
CN(C(=O)N1CC(NC(=O)OC(C)(C)C)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216640	0	47	-1.0	-51.43	364.36	4.81	-46.62
CC(=O)OCC1CCN(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300017216641	0	45	-1.0	-52.04	344.35	7.87	-44.17
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)N1CC=C(Br)CC1	REAL300017216642	0	35	-1.0	-47.75	308.21	4.71	-43.04
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216644	0	45	-1.0	-50.33	360.25	6.91	-43.42
CC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C(Cl)S1	REAL300017216645	0	32	-1.0	-46.44	294.09	5.03	-41.41
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017216646	0	39	-1.0	-51.93	343.91	5.78	-46.15
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C2CCCCN2N=C1	REAL300017216647	0	39	-1.0	-49.74	316.01	4.20	-45.54
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300017216652	0	35	-1.0	-45.58	308.80	5.94	-39.64
C[C@H]1[C@@H](C(=O)[O-])CCCN1C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21	REAL300017216671	0	49	-1.0	-51.18	384.81	12.49	-38.69
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300017216672	0	40	-1.0	-54.39	339.92	0.31	-54.08
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1C#N	REAL300017216673	0	39	-1.0	-62.01	327.41	6.33	-55.68
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=CC([N+](=O)[O-])=C1C	REAL300017216674	0	43	-1.0	-56.47	346.69	7.07	-49.40
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1C	REAL300017216675	0	43	-1.0	-56.21	338.21	6.99	-49.22
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300017216676	0	41	-1.0	-52.69	330.14	4.50	-48.19
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C=CC1=CC=CC=C1	REAL300017216677	0	39	-1.0	-50.51	317.55	6.56	-43.95
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300017216678	0	41	-1.0	-49.17	331.03	4.32	-44.85
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216679	0	41	-1.0	-52.72	322.15	4.46	-48.26
CC1=NNC(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216680	0	38	-1.0	-50.87	298.97	3.09	-47.78
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300017216681	0	38	-1.0	-55.46	317.36	2.86	-52.60
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216682	0	39	-1.0	-48.50	315.14	4.65	-43.85
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300017216683	0	37	-1.0	-57.54	298.74	6.92	-50.62
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216684	0	42	-1.0	-49.55	337.02	5.58	-43.97
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1F	REAL300017216685	0	35	-1.0	-50.71	292.96	5.32	-45.39
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1	REAL300017216686	0	35	-1.0	-46.99	292.06	5.42	-41.57
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(F)=C1	REAL300017216687	0	35	-1.0	-46.22	292.06	5.42	-40.80
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1C	REAL300017216688	0	47	-1.0	-50.05	341.36	7.76	-42.29
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C(C)=C1	REAL300017216689	0	44	-1.0	-49.36	329.79	7.44	-41.92
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216690	0	50	-1.0	-47.05	365.63	7.97	-39.08
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300017216691	0	35	-1.0	-48.12	317.58	6.32	-41.80
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300017216692	0	35	-1.0	-49.52	298.37	5.47	-44.05
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300017216693	0	35	-1.0	-48.32	308.88	6.16	-42.16
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300017216694	0	38	-1.0	-45.94	325.07	6.38	-39.56
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300017216695	0	38	-1.0	-55.91	310.85	6.70	-49.21
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1F	REAL300017216696	0	35	-1.0	-53.87	286.56	5.26	-48.61
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300017216697	0	38	-1.0	-44.23	337.55	6.78	-37.45
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300017216698	0	35	-1.0	-46.21	302.39	5.87	-40.34
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300017216699	0	38	-1.0	-48.98	331.02	6.64	-42.34
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216700	0	40	-1.0	-54.37	326.92	5.78	-48.59
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216701	0	41	-1.0	-47.64	310.83	6.32	-41.32
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1C	REAL300017216702	0	41	-1.0	-49.44	324.07	6.56	-42.88
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300017216703	0	39	-1.0	-55.18	332.28	5.04	-50.14
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216704	0	44	-1.0	-52.05	379.04	7.44	-44.61
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300017216705	0	36	-1.0	-50.76	312.37	5.80	-44.96
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CCC1CCOCC1	REAL300017216706	0	45	-1.0	-49.99	342.83	4.64	-45.35
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)S1	REAL300017216707	0	38	-1.0	-49.12	312.90	5.91	-43.21
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300017216708	0	44	-1.0	-48.82	350.49	6.96	-41.86
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300017216709	0	36	-1.0	-47.46	318.53	4.67	-42.79
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300017216710	0	41	-1.0	-54.41	343.57	7.05	-47.36
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300017216711	0	38	-1.0	-49.67	313.52	3.80	-45.87
CC1=CC=CC(C)=C1CS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216712	0	44	-1.0	-49.55	339.55	7.32	-42.23
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017216713	0	37	-1.0	-48.01	321.39	7.49	-40.52
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C(F)C=C1C	REAL300017216714	0	44	-1.0	-50.05	357.18	6.43	-43.62
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CS1	REAL300017216715	0	32	-1.0	-52.82	280.25	4.38	-48.44
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CCC1CCOC1	REAL300017216716	0	42	-1.0	-49.33	324.96	3.87	-45.46
CC1=CC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])[C@@H]3C)=CC=C2N=C1Cl	REAL300017216717	0	43	-1.0	-52.39	362.80	6.78	-45.61
COC(CS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C)C1=CC=CC=C1	REAL300017216718	0	45	-1.0	-51.91	361.69	6.04	-45.87
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300017216719	0	44	-1.0	-50.75	337.89	6.60	-44.15
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300017216720	0	45	-1.0	-49.79	364.95	6.14	-43.65
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300017216721	0	40	-1.0	-51.65	334.28	6.85	-44.80
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216722	0	47	-1.0	-55.00	386.08	7.71	-47.29
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1CC(F)(F)C1	REAL300017216723	0	38	-1.0	-49.79	310.99	5.32	-44.47
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216724	0	42	-1.0	-50.19	353.86	5.69	-44.50
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300017216725	0	42	-1.0	-48.96	334.87	7.46	-41.50
COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])[C@@H]3C)CCC2=C1	REAL300017216726	0	47	-1.0	-49.54	369.58	7.07	-42.47
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300017216727	0	43	-1.0	-49.97	346.21	6.31	-43.66
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300017216728	0	35	-1.0	-48.53	308.25	5.92	-42.61
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216729	0	40	-1.0	-52.05	328.43	5.85	-46.20
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C(C)=C1	REAL300017216730	0	41	-1.0	-51.82	313.63	6.41	-45.41
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300017216731	0	35	-1.0	-48.30	306.34	6.05	-42.25
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1[N+](=O)[O-]	REAL300017216732	0	41	-1.0	-59.13	341.19	6.09	-53.04
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300017216733	0	47	-1.0	-48.63	361.87	7.68	-40.95
CC(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216734	0	44	-1.0	-48.78	345.89	7.27	-41.51
CCC(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216735	0	47	-1.0	-48.70	364.34	7.94	-40.76
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300017216736	0	46	-1.0	-53.12	381.23	3.36	-49.76
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300017216737	0	35	-1.0	-51.80	306.50	6.62	-45.18
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300017216738	0	32	-1.0	-48.00	295.26	5.01	-42.99
CCCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216739	0	44	-1.0	-48.61	350.06	7.58	-41.03
COC1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216740	0	39	-1.0	-50.20	308.09	5.20	-45.00
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300017216741	0	35	-1.0	-45.94	313.45	6.25	-39.69
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1Br	REAL300017216742	0	39	-1.0	-51.58	335.57	5.33	-46.25
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216743	0	46	-1.0	-58.54	364.56	4.09	-54.45
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017216744	0	35	-1.0	-54.46	299.01	5.37	-49.09
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300017216745	0	35	-1.0	-45.71	319.12	6.40	-39.31
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1Cl	REAL300017216746	0	35	-1.0	-47.46	289.10	5.52	-41.94
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300017216747	0	35	-1.0	-46.06	306.95	5.98	-40.08
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216748	0	47	-1.0	-59.20	379.92	7.56	-51.64
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1F	REAL300017216749	0	35	-1.0	-55.05	294.17	5.66	-49.39
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300017216750	0	34	-1.0	-45.48	297.51	4.01	-41.47
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300017216751	0	36	-1.0	-47.48	306.51	5.74	-41.74
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300017216752	0	36	-1.0	-48.24	306.48	5.76	-42.48
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300017216753	0	35	-1.0	-50.57	303.29	5.77	-44.80
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300017216754	0	38	-1.0	-51.89	327.23	7.22	-44.67
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C#N	REAL300017216755	0	36	-1.0	-59.98	290.37	5.18	-54.80
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=CC=C1Br	REAL300017216756	0	38	-1.0	-46.95	325.15	6.54	-40.41
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300017216757	0	35	-1.0	-47.34	291.36	5.58	-41.76
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300017216758	0	39	-1.0	-47.59	331.64	5.15	-42.44
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C(C)=C1C	REAL300017216759	0	50	-1.0	-49.25	352.25	8.16	-41.09
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300017216760	0	44	-1.0	-49.30	348.47	5.29	-44.01
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1[N+](=O)[O-]	REAL300017216761	0	40	-1.0	-46.31	329.88	6.54	-39.77
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)S1	REAL300017216762	0	32	-1.0	-48.07	299.89	5.12	-42.95
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216763	0	39	-1.0	-46.83	329.39	5.83	-41.00
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216764	0	53	-1.0	-47.79	381.92	8.99	-38.80
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300017216765	0	51	-1.0	-48.56	387.52	9.15	-39.41
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300017216766	0	38	-1.0	-46.79	324.41	6.36	-40.43
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300017216767	0	45	-1.0	-49.12	348.32	7.85	-41.27
COC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216768	0	43	-1.0	-49.83	337.54	4.49	-45.34
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1OC	REAL300017216769	0	43	-1.0	-51.61	344.39	4.55	-47.06
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300017216770	0	42	-1.0	-50.27	331.13	7.26	-43.01
CC1=NOC(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216771	0	37	-1.0	-49.47	299.36	4.33	-45.14
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C(OC)=C1	REAL300017216772	0	43	-1.0	-50.46	337.54	4.49	-45.97
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300017216773	0	43	-1.0	-49.62	340.11	7.77	-41.85
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1Cl	REAL300017216774	0	41	-1.0	-49.30	336.70	7.52	-41.78
CCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216775	0	41	-1.0	-48.83	328.57	6.80	-42.03
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1F	REAL300017216776	0	35	-1.0	-49.38	292.94	5.32	-44.06
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216777	0	42	-1.0	-49.90	329.50	5.86	-44.04
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216778	0	38	-1.0	-44.61	310.44	6.23	-38.38
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1NC(C)=O	REAL300017216779	0	46	-1.0	-61.26	370.58	3.65	-57.61
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300017216780	0	43	-1.0	-50.04	345.48	4.53	-45.51
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300017216781	0	39	-1.0	-54.27	321.39	2.20	-52.07
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300017216782	0	40	-1.0	-50.25	327.69	3.81	-46.44
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1OCC	REAL300017216783	0	49	-1.0	-49.09	388.11	6.41	-42.68
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300017216784	0	35	-1.0	-46.80	302.39	5.87	-40.93
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300017216785	0	35	-1.0	-46.72	306.95	5.98	-40.74
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300017216786	0	37	-1.0	-47.57	313.89	6.02	-41.55
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300017216787	0	41	-1.0	-51.92	331.59	7.67	-44.25
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216788	0	42	-1.0	-52.40	341.76	4.25	-48.15
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300017216789	0	37	-1.0	-46.37	313.89	6.04	-40.33
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216790	0	40	-1.0	-44.51	317.40	6.27	-38.24
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017216791	0	38	-1.0	-48.34	321.82	5.85	-42.49
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017216792	0	38	-1.0	-51.49	336.95	7.45	-44.04
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300017216793	0	38	-1.0	-50.71	336.47	6.75	-43.96
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300017216794	0	44	-1.0	-61.49	370.16	3.61	-57.88
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300017216795	0	34	-1.0	-45.73	316.97	4.55	-41.18
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300017216796	0	38	-1.0	-53.91	311.64	5.67	-48.24
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CCC1CCCC1	REAL300017216797	0	44	-1.0	-48.52	335.23	6.46	-42.06
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CCC1CCCCC1	REAL300017216798	0	47	-1.0	-48.33	351.71	7.05	-41.28
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CNN=C1Cl	REAL300017216799	0	32	-1.0	-49.06	280.55	2.06	-47.00
CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])[C@@H]3C)C=C2C=C1	REAL300017216800	0	44	-1.0	-50.94	353.62	8.32	-42.62
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CS1	REAL300017216801	0	32	-1.0	-51.31	289.94	4.79	-46.52
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216802	0	44	-1.0	-53.33	361.02	6.83	-46.50
CC1=CSC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216803	0	35	-1.0	-49.32	299.21	5.05	-44.27
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300017216804	0	50	-1.0	-59.38	407.29	5.91	-53.47
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216805	0	48	-1.0	-51.46	381.65	5.70	-45.76
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300017216806	0	38	-1.0	-54.86	328.37	6.60	-48.26
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300017216807	0	41	-1.0	-55.90	331.19	7.48	-48.42
CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C(CC)=C1	REAL300017216808	0	53	-1.0	-46.78	377.26	9.41	-37.37
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300017216809	0	40	-1.0	-50.97	321.63	5.25	-45.72
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216810	0	43	-1.0	-48.29	337.01	6.95	-41.34
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300017216811	0	42	-1.0	-50.19	341.67	5.12	-45.07
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300017216812	0	37	-1.0	-53.41	333.78	5.29	-48.12
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1Cl	REAL300017216813	0	43	-1.0	-47.24	353.55	5.07	-42.17
COC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=CC=C1Cl	REAL300017216814	0	39	-1.0	-47.19	331.19	5.20	-41.99
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300017216815	0	38	-1.0	-49.74	318.25	2.76	-46.98
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216816	0	48	-1.0	-54.90	377.05	6.37	-48.53
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300017216817	0	38	-1.0	-57.75	323.15	4.41	-53.34
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C(F)C=C1Br	REAL300017216818	0	38	-1.0	-50.53	326.10	6.45	-44.08
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300017216819	0	40	-1.0	-50.63	337.73	7.95	-42.68
CC1=CC=CC(Cl)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216820	0	38	-1.0	-53.02	303.52	6.49	-46.53
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300017216821	0	42	-1.0	-53.40	336.34	7.54	-45.86
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CCOCC1CCCC1	REAL300017216822	0	48	-1.0	-50.68	370.52	5.87	-44.81
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300017216823	0	39	-1.0	-43.76	324.36	5.54	-38.22
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300017216824	0	40	-1.0	-53.10	317.98	5.23	-47.87
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1F	REAL300017216825	0	44	-1.0	-56.37	368.04	6.83	-49.54
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C2=CC=CC(C)=C2S1	REAL300017216826	0	44	-1.0	-51.75	352.53	8.24	-43.51
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300017216827	0	39	-1.0	-43.89	334.74	5.99	-37.90
CC1=CC(F)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C(F)=C1	REAL300017216828	0	38	-1.0	-51.75	315.52	6.32	-45.43
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1C1=CC=CC=C1	REAL300017216829	0	49	-1.0	-53.23	394.48	8.44	-44.79
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CCOCC1CC1	REAL300017216830	0	42	-1.0	-48.41	336.72	4.67	-43.74
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(C#N)C=C1	REAL300017216831	0	39	-1.0	-54.81	330.26	6.51	-48.30
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300017216832	0	45	-1.0	-49.27	356.44	5.22	-44.05
COC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216833	0	39	-1.0	-48.76	315.15	4.65	-44.11
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300017216834	0	38	-1.0	-48.74	326.19	6.60	-42.14
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017216835	0	35	-1.0	-49.40	303.28	5.77	-43.63
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300017216836	0	46	-1.0	-52.22	373.73	5.32	-46.90
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216837	0	39	-1.0	-47.07	314.49	5.26	-41.81
CCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1[N+](=O)[O-]	REAL300017216838	0	43	-1.0	-46.16	348.10	7.18	-38.98
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300017216839	0	40	-1.0	-52.81	315.57	5.89	-46.92
CC(=O)NC1=NC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)S1	REAL300017216840	0	38	-1.0	-53.74	330.62	2.85	-50.89
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=N1	REAL300017216841	0	38	-1.0	-47.23	312.83	2.06	-45.17
CC1C(=O)NC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])[C@@H]3C)C=C21	REAL300017216843	0	43	-1.0	-52.10	348.61	4.43	-47.67
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300017216844	0	41	-1.0	-48.91	336.40	2.58	-46.33
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216845	0	50	-1.0	-48.58	389.12	8.86	-39.72
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])[C@@H]3C)=CC=C21	REAL300017216846	0	46	-1.0	-53.92	366.26	6.48	-47.44
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])[C@@H]3C)C=C2)=C1	REAL300017216847	0	49	-1.0	-49.67	397.46	8.92	-40.75
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300017216848	0	40	-1.0	-49.97	321.55	5.21	-44.76
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300017216849	0	46	-1.0	-59.91	362.99	6.47	-53.44
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300017216850	0	39	-1.0	-45.63	342.31	6.54	-39.09
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC(=O)N2C	REAL300017216851	0	43	-1.0	-50.31	348.46	5.78	-44.53
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300017216852	0	40	-1.0	-49.76	334.02	6.90	-42.86
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300017216853	0	41	-1.0	-57.13	339.74	5.32	-51.81
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1	REAL300017216854	0	40	-1.0	-52.70	344.17	6.21	-46.49
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300017216855	0	39	-1.0	-45.45	331.65	5.15	-40.30
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300017216856	0	35	-1.0	-46.14	298.48	5.50	-40.64
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)S1	REAL300017216857	0	35	-1.0	-49.92	299.48	5.15	-44.77
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300017216858	0	37	-1.0	-43.92	317.43	6.20	-37.72
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)S1	REAL300017216859	0	42	-1.0	-54.13	359.97	3.53	-50.60
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216860	0	45	-1.0	-55.65	345.40	4.55	-51.10
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017216861	0	32	-1.0	-44.60	298.75	5.13	-39.47
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300017216862	0	51	-1.0	-51.11	400.80	6.29	-44.82
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])[C@@H]3C)=CC=C21	REAL300017216863	0	49	-1.0	-60.80	377.21	6.85	-53.95
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216864	0	41	-1.0	-48.36	340.43	6.02	-42.34
CNC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216865	0	42	-1.0	-50.17	342.10	3.65	-46.52
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300017216866	0	39	-1.0	-50.09	320.17	2.13	-47.96
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])[C@@H]3C)C=C2CC1C	REAL300017216867	0	49	-1.0	-53.63	380.84	6.96	-46.67
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)S1	REAL300017216868	0	38	-1.0	-48.84	334.16	5.14	-43.70
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)N1CCCCCC1	REAL300017216869	0	43	-1.0	-50.44	318.87	5.13	-45.31
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216870	0	41	-1.0	-58.53	339.80	3.84	-54.69
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300017216871	0	41	-1.0	-54.42	342.20	2.38	-52.04
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300017216872	0	41	-1.0	-50.73	342.87	2.86	-47.87
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CN=C1Cl	REAL300017216873	0	34	-1.0	-49.34	286.33	3.74	-45.60
CC1=CC2=CC=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])[C@@H]3C)=C2N=C1	REAL300017216874	0	43	-1.0	-57.34	341.04	7.08	-50.26
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C([N+](=O)[O-])=C1	REAL300017216875	0	41	-1.0	-53.97	328.10	6.22	-47.75
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216876	0	39	-1.0	-47.17	324.81	5.71	-41.46
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300017216877	0	39	-1.0	-51.62	324.59	5.68	-45.94
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300017216878	0	40	-1.0	-60.08	339.90	0.30	-59.78
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300017216879	0	40	-1.0	-55.17	337.62	6.79	-48.38
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1	REAL300017216880	0	38	-1.0	-53.09	316.09	6.20	-46.89
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C(Cl)=C1	REAL300017216881	0	38	-1.0	-49.11	313.57	6.30	-42.81
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300017216882	0	41	-1.0	-52.19	341.14	1.77	-50.42
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300017216883	0	35	-1.0	-55.35	317.74	5.46	-49.89
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300017216884	0	41	-1.0	-56.82	346.37	2.88	-53.94
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300017216885	0	42	-1.0	-49.43	351.44	4.67	-44.76
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300017216886	0	43	-1.0	-51.10	351.43	6.86	-44.24
CC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216887	0	38	-1.0	-49.34	298.61	5.82	-43.52
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300017216888	0	44	-1.0	-49.14	342.32	6.67	-42.47
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C2=CC=CN=C12	REAL300017216889	0	43	-1.0	-52.31	336.77	6.34	-45.97
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1C	REAL300017216890	0	43	-1.0	-56.00	337.76	8.13	-47.87
CCOC(=O)C1CCCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C1	REAL300017216891	0	49	-1.0	-54.75	380.30	6.11	-48.64
CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)CC1	REAL300017216892	0	43	-1.0	-49.44	320.52	5.02	-44.42
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300017216893	0	46	-1.0	-59.67	381.99	3.31	-56.36
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300017216894	0	35	-1.0	-46.04	298.54	5.71	-40.33
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017216895	0	37	-1.0	-53.17	315.39	7.43	-45.74
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C#N	REAL300017216896	0	36	-1.0	-54.85	307.34	5.71	-49.14
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300017216897	0	47	-1.0	-64.42	372.27	4.73	-59.69
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300017216898	0	41	-1.0	-62.01	346.37	2.88	-59.13
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300017216899	0	45	-1.0	-51.62	351.14	9.08	-42.54
CC1CC(C)CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C1	REAL300017216900	0	46	-1.0	-47.56	341.12	5.57	-41.99
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216901	0	44	-1.0	-48.59	362.31	6.93	-41.66
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017216902	0	35	-1.0	-43.97	312.86	5.83	-38.14
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CCCS(C)(=O)=O	REAL300017216903	0	40	-1.0	-60.42	334.65	1.39	-59.03
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C(C)=C1C	REAL300017216904	0	45	-1.0	-49.71	334.45	5.60	-44.11
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300017216905	0	35	-1.0	-48.52	300.98	5.78	-42.74
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300017216906	0	46	-1.0	-51.86	369.12	4.91	-46.95
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300017216907	0	38	-1.0	-52.61	330.97	6.76	-45.85
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300017216908	0	35	-1.0	-48.05	321.79	6.42	-41.63
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300017216909	0	40	-1.0	-53.75	327.30	5.78	-47.97
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216910	0	39	-1.0	-51.67	323.24	5.81	-45.86
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216911	0	39	-1.0	-50.79	312.95	6.14	-44.65
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300017216912	0	36	-1.0	-52.06	307.29	5.66	-46.40
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300017216913	0	39	-1.0	-55.96	329.12	6.19	-49.77
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=CC=C1OC	REAL300017216914	0	45	-1.0	-54.80	367.75	6.07	-48.73
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1C	REAL300017216915	0	44	-1.0	-48.03	356.46	6.55	-41.48
COC(=O)CCN(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216916	0	42	-1.0	-52.75	340.41	4.19	-48.56
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300017216917	0	45	-1.0	-57.72	354.16	0.92	-56.80
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)N(C)C1CCOCC1	REAL300017216918	0	44	-1.0	-49.89	333.02	3.44	-46.45
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)N1CC2CCC1C2	REAL300017216919	0	41	-1.0	-48.79	307.75	4.75	-44.04
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300017216920	0	44	-1.0	-53.47	354.36	5.38	-48.09
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=NN1C1=CC=CC=N1	REAL300017216921	0	44	-1.0	-51.47	347.51	6.38	-45.09
CCN1N=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1C	REAL300017216922	0	44	-1.0	-47.76	341.09	5.17	-42.59
CC(C)N1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=N1	REAL300017216923	0	41	-1.0	-52.37	330.42	4.44	-47.93
CC(C)CN1C=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216924	0	44	-1.0	-57.80	350.21	6.64	-51.16
CC(C)N1C=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216925	0	41	-1.0	-50.25	331.10	5.77	-44.48
CC(C)C1=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=CN1	REAL300017216926	0	41	-1.0	-49.65	329.45	3.82	-45.83
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300017216927	0	47	-1.0	-51.59	338.04	8.03	-43.56
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300017216928	0	43	-1.0	-53.36	352.08	4.77	-48.59
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C(N)=NO1	REAL300017216929	0	36	-1.0	-49.22	291.63	2.78	-46.44
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300017216930	0	48	-1.0	-51.27	386.45	6.91	-44.36
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300017216931	0	39	-1.0	-51.87	315.54	5.14	-46.73
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300017216932	0	37	-1.0	-54.69	313.08	5.07	-49.62
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017216933	0	35	-1.0	-47.24	305.53	6.15	-41.09
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C(Cl)=N1	REAL300017216934	0	37	-1.0	-49.12	308.01	4.35	-44.77
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300017216935	0	39	-1.0	-48.21	334.25	6.40	-41.81
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300017216936	0	34	-1.0	-45.68	303.40	4.05	-41.63
COC1=NC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1Cl	REAL300017216937	0	38	-1.0	-47.75	328.91	2.59	-45.16
CC1=CC(C)=CC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216938	0	44	-1.0	-50.44	352.28	7.42	-43.02
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216939	0	46	-1.0	-50.24	363.17	4.92	-45.32
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216940	0	45	-1.0	-57.66	366.15	4.42	-53.24
CC1=CC(F)=CC=C1CS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216941	0	41	-1.0	-49.04	330.10	6.81	-42.23
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017216942	0	35	-1.0	-45.17	310.66	6.58	-38.59
CC1CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)CCO1	REAL300017216943	0	42	-1.0	-51.22	321.66	4.09	-47.13
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216944	0	51	-1.0	-49.26	386.26	6.73	-42.53
CCOCC(C)CS(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216945	0	44	-1.0	-53.18	341.51	4.69	-48.49
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300017216946	0	35	-1.0	-45.86	311.32	6.24	-39.62
CC(CC#N)N(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216947	0	40	-1.0	-55.54	316.43	4.56	-50.98
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216948	0	44	-1.0	-51.55	350.49	3.78	-47.77
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017216949	0	35	-1.0	-47.74	306.74	5.77	-41.97
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300017216950	0	40	-1.0	-53.95	326.85	5.73	-48.22
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300017216951	0	38	-1.0	-48.65	330.75	6.71	-41.94
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(F)=C1F	REAL300017216952	0	38	-1.0	-53.28	320.58	6.20	-47.08
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300017216953	0	37	-1.0	-46.03	326.12	4.75	-41.28
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216954	0	51	-1.0	-49.28	384.25	7.52	-41.76
CCN(CC(C)C#N)S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216955	0	43	-1.0	-59.84	340.08	5.33	-54.51
CC(C#N)CN(C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216956	0	40	-1.0	-48.27	318.31	4.69	-43.58
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300017216957	0	41	-1.0	-56.95	338.89	5.01	-51.94
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CS1	REAL300017216958	0	38	-1.0	-49.49	321.18	5.97	-43.52
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216959	0	43	-1.0	-56.22	352.22	6.80	-49.42
CC1=CC=C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1C	REAL300017216960	0	44	-1.0	-50.74	347.88	7.29	-43.45
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300017216961	0	41	-1.0	-51.61	356.18	3.28	-48.33
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300017216962	0	38	-1.0	-50.12	325.20	4.46	-45.66
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216963	0	45	-1.0	-56.72	349.44	4.02	-52.70
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300017216964	0	46	-1.0	-54.31	366.92	6.75	-47.56
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1(CC#N)CC1	REAL300017216965	0	39	-1.0	-50.51	317.88	5.62	-44.89
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300017216966	0	43	-1.0	-47.63	357.52	3.95	-43.68
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300017216967	0	41	-1.0	-57.43	340.37	6.63	-50.80
CC1=CC=C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C(F)=C1	REAL300017216968	0	41	-1.0	-52.79	335.69	6.81	-45.98
CC(C(=O)N(C)C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216969	0	41	-1.0	-59.74	318.74	3.66	-56.08
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300017216970	0	48	-1.0	-53.55	374.55	8.69	-44.86
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300017216971	0	46	-1.0	-54.22	367.53	6.11	-48.11
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CCCC(C)(C)C	REAL300017216972	0	46	-1.0	-51.85	347.72	6.34	-45.51
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300017216973	0	44	-1.0	-60.53	347.05	2.53	-58.00
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216974	0	44	-1.0	-49.41	356.66	7.86	-41.55
CC1=C(CCS(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)SC=N1	REAL300017216975	0	40	-1.0	-49.98	334.90	4.60	-45.38
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300017216976	0	41	-1.0	-53.07	320.42	7.67	-45.40
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300017216977	0	40	-1.0	-62.41	328.19	7.15	-55.26
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300017216978	0	45	-1.0	-50.18	359.86	8.77	-41.41
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300017216979	0	38	-1.0	-45.76	330.89	6.63	-39.13
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216980	0	38	-1.0	-44.76	295.60	5.67	-39.09
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017216981	0	35	-1.0	-45.25	321.00	7.02	-38.23
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216982	0	50	-1.0	-48.48	376.11	8.14	-40.34
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1Cl	REAL300017216983	0	38	-1.0	-46.40	321.13	6.45	-39.95
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1	REAL300017216984	0	45	-1.0	-48.25	354.94	6.20	-42.05
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300017216985	0	35	-1.0	-50.43	307.86	5.87	-44.56
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300017216986	0	35	-1.0	-45.36	304.60	5.53	-39.83
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C(F)=C1	REAL300017216987	0	38	-1.0	-53.52	307.98	5.92	-47.60
CC1=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=CN1C	REAL300017216988	0	38	-1.0	-51.59	309.19	4.26	-47.33
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017216989	0	35	-1.0	-46.65	313.60	5.93	-40.72
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300017216990	0	38	-1.0	-48.81	325.32	6.26	-42.55
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017216991	0	35	-1.0	-46.58	313.58	5.92	-40.66
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017216992	0	35	-1.0	-46.63	299.28	5.37	-41.26
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300017216993	0	36	-1.0	-50.68	301.48	4.12	-46.56
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=CC=C1F	REAL300017216994	0	38	-1.0	-46.98	312.37	6.06	-40.92
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300017216995	0	38	-1.0	-44.39	329.97	6.42	-37.97
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300017216996	0	40	-1.0	-56.70	321.97	6.28	-50.42
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300017216997	0	38	-1.0	-51.89	316.89	6.78	-45.11
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300017216998	0	35	-1.0	-48.98	304.28	5.83	-43.15
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300017216999	0	35	-1.0	-45.86	300.98	5.78	-40.08
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017217000	0	41	-1.0	-47.07	336.31	5.86	-41.21
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C(F)=C1	REAL300017229137	0	40	-1.0	-51.28	345.88	7.09	-44.19
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300017229138	0	38	-1.0	-53.22	338.27	6.80	-46.42
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1	REAL300017229139	0	40	-1.0	-46.62	361.63	6.37	-40.25
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017229140	0	46	-1.0	-50.84	380.11	7.10	-43.74
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017229141	0	52	-1.0	-47.67	382.06	7.25	-40.42
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300017229142	0	42	-1.0	-59.09	350.89	7.26	-51.83
CCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017229143	0	42	-1.0	-60.86	360.32	7.56	-53.30
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017229144	0	45	-1.0	-50.53	373.84	4.17	-46.36
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300017229145	0	48	-1.0	-55.71	413.18	6.86	-48.85
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CCC)C=N1	REAL300017229146	0	40	-1.0	-49.33	343.92	6.38	-42.95
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017229147	0	35	-1.0	-46.80	338.97	6.53	-40.27
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C#N)SC=C1	REAL300017229148	0	32	-1.0	-56.46	294.10	4.49	-51.97
CCCN(CCC(=O)[O-])S(=O)(=O)CC1CCC(F)CC1	REAL300017229149	0	43	-1.0	-50.08	342.87	6.82	-43.26
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300017229150	0	37	-1.0	-45.73	331.49	6.72	-39.01
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017229151	0	40	-1.0	-50.24	344.13	6.61	-43.63
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300017229152	0	43	-1.0	-50.71	382.25	7.10	-43.61
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300017229153	0	40	-1.0	-47.91	364.84	6.59	-41.32
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F	REAL300017229154	0	43	-1.0	-51.97	373.55	6.90	-45.07
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1C	REAL300017229155	0	40	-1.0	-49.78	351.59	7.56	-42.22
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017229156	0	37	-1.0	-48.77	339.02	6.91	-41.86
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017229157	0	34	-1.0	-45.34	334.04	6.75	-38.59
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300017229158	0	41	-1.0	-61.29	351.95	3.06	-58.23
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CCC)CCC(=O)[O-])C=C1	REAL300017229159	0	59	-1.0	-48.84	476.37	10.56	-38.28
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1	REAL300017229160	0	49	-1.0	-51.80	405.89	7.97	-43.83
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(CC)CC1	REAL300017229161	0	45	-1.0	-47.98	352.06	6.02	-41.96
CCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017229162	0	40	-1.0	-48.43	347.07	7.23	-41.20
CCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1F	REAL300017229163	0	40	-1.0	-53.06	346.22	7.20	-45.86
CCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017229164	0	40	-1.0	-51.97	353.34	7.54	-44.43
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1OC	REAL300017229165	0	38	-1.0	-46.41	347.74	6.26	-40.15
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O	REAL300017229166	0	49	-1.0	-57.16	396.83	4.69	-52.47
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1	REAL300017229167	0	45	-1.0	-48.47	387.78	6.17	-42.30
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1	REAL300017229168	0	41	-1.0	-47.25	366.54	8.16	-39.09
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(OC)CC1	REAL300017229169	0	43	-1.0	-48.38	343.12	3.70	-44.68
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017229170	0	37	-1.0	-48.29	342.27	7.03	-41.26
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(C)CC)=C1	REAL300017229171	0	47	-1.0	-52.92	386.05	7.29	-45.63
CCCN(CCC(=O)[O-])S(=O)(=O)CC(C)CC(F)(F)F	REAL300017229172	0	39	-1.0	-50.96	330.66	5.88	-45.08
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017229173	0	41	-1.0	-55.72	362.90	7.37	-48.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C	REAL300017229174	0	46	-1.0	-50.20	382.00	5.19	-45.01
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1OC	REAL300017229175	0	38	-1.0	-48.80	327.15	5.65	-43.15
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300017229176	0	40	-1.0	-45.15	354.00	5.02	-40.13
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC2CC2)C(CC)=N1	REAL300017229177	0	47	-1.0	-55.71	392.53	7.50	-48.21
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1	REAL300017229178	0	45	-1.0	-58.86	379.82	6.14	-52.72
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017229179	0	37	-1.0	-48.13	336.35	5.11	-43.02
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017229180	0	37	-1.0	-60.19	339.52	5.20	-54.99
CCCOC1=CC=C(S(=O)(=O)N(CCC)CCC(=O)[O-])C=C1C(C)C	REAL300017229181	0	53	-1.0	-46.82	427.48	8.68	-38.14
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300017229182	0	42	-1.0	-51.33	352.22	7.64	-43.69
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300017229183	0	41	-1.0	-47.86	337.71	5.34	-42.52
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017229184	0	47	-1.0	-49.13	401.66	8.05	-41.08
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017229185	0	48	-1.0	-53.08	413.49	8.98	-44.10
CCCN(CCC(=O)[O-])S(=O)(=O)CC(OC)C1=CC=C(F)C=C1	REAL300017229186	0	44	-1.0	-49.64	377.21	6.76	-42.88
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017229187	0	46	-1.0	-51.89	379.97	7.08	-44.81
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1	REAL300017229188	0	42	-1.0	-48.16	377.92	4.52	-43.64
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12	REAL300017229189	0	46	-1.0	-52.42	384.68	8.56	-43.86
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1	REAL300017229190	0	45	-1.0	-48.70	381.72	4.82	-43.88
CCCN(CCC(=O)[O-])S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017229191	0	43	-1.0	-48.14	341.27	6.99	-41.15
CCCN(CCC(=O)[O-])S(=O)(=O)CC1(OCC)CCOCC1	REAL300017229192	0	48	-1.0	-51.47	372.99	4.42	-47.05
CCCN(CCC(=O)[O-])S(=O)(=O)CC(OCC)C1CC1	REAL300017229193	0	44	-1.0	-51.61	359.48	5.97	-45.64
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300017229194	0	40	-1.0	-46.61	357.85	6.31	-40.30
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2	REAL300017229195	0	45	-1.0	-61.27	380.43	6.92	-54.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300017229196	0	37	-1.0	-46.02	333.83	4.26	-41.76
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017229197	0	45	-1.0	-52.39	396.65	9.73	-42.66
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1C	REAL300017229198	0	37	-1.0	-43.80	331.22	6.77	-37.03
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1Br	REAL300017229199	0	37	-1.0	-50.75	331.14	7.02	-43.73
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(=O)OC	REAL300017229200	0	40	-1.0	-55.82	353.37	6.63	-49.19
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017229201	0	42	-1.0	-48.14	354.68	3.38	-44.76
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300017229202	0	38	-1.0	-48.28	346.82	5.54	-42.74
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300017229203	0	40	-1.0	-47.38	351.54	6.37	-41.01
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300017229204	0	40	-1.0	-50.03	351.36	7.50	-42.53
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CCOC)N=C1	REAL300017229205	0	41	-1.0	-46.41	356.40	3.24	-43.17
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(CC2CC2)N=C1C	REAL300017229206	0	47	-1.0	-47.72	384.47	7.04	-40.68
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017229207	0	41	-1.0	-54.41	360.39	6.17	-48.24
CCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017229208	0	42	-1.0	-51.23	368.87	7.84	-43.39
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017229209	0	34	-1.0	-47.32	323.02	6.28	-41.04
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017229210	0	37	-1.0	-46.59	330.88	6.49	-40.10
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017229211	0	41	-1.0	-59.75	360.68	3.50	-56.25
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC	REAL300017229212	0	43	-1.0	-46.77	371.94	6.60	-40.17
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300017229213	0	37	-1.0	-48.01	330.20	7.02	-40.99
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300017229214	0	41	-1.0	-48.06	342.03	5.71	-42.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300017229215	0	38	-1.0	-45.95	345.95	5.60	-40.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017229216	0	37	-1.0	-55.09	359.86	2.62	-52.47
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017229217	0	37	-1.0	-48.56	340.61	4.69	-43.87
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017229218	0	45	-1.0	-49.13	373.49	6.89	-42.24
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300017229219	0	42	-1.0	-51.35	374.97	2.40	-48.95
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300017229220	0	45	-1.0	-50.39	396.44	3.29	-47.10
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(CNC(=O)CC)=C1	REAL300017229221	0	51	-1.0	-50.82	426.94	4.79	-46.03
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(CC)C=C1	REAL300017229222	0	43	-1.0	-50.94	362.04	7.83	-43.11
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1Br	REAL300017229223	0	38	-1.0	-50.26	332.86	5.22	-45.04
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017229224	0	49	-1.0	-46.12	409.77	6.07	-40.05
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300017229225	0	43	-1.0	-52.41	378.19	4.05	-48.36
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017229226	0	36	-1.0	-46.88	344.29	5.54	-41.34
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1	REAL300017229227	0	39	-1.0	-47.44	353.58	6.66	-40.78
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl	REAL300017229228	0	39	-1.0	-55.18	341.82	6.28	-48.90
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300017229229	0	35	-1.0	-46.17	338.12	6.63	-39.54
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(Br)=C1	REAL300017229230	0	41	-1.0	-50.46	367.79	6.51	-43.95
CCCN(CCC(=O)[O-])S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017229231	0	48	-1.0	-54.38	412.64	5.10	-49.28
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017229232	0	37	-1.0	-52.56	329.79	6.44	-46.12
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=CC(F)=C1OC	REAL300017229233	0	47	-1.0	-50.38	409.96	7.24	-43.14
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1	REAL300017229234	0	43	-1.0	-45.98	341.01	3.76	-42.22
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300017229235	0	44	-1.0	-49.74	367.05	6.37	-43.37
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300017229236	0	50	-1.0	-48.77	407.94	7.95	-40.82
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017229237	0	48	-1.0	-48.07	390.66	7.85	-40.22
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300017229238	0	47	-1.0	-48.96	388.98	7.35	-41.61
CCCOC1=CC=C(S(=O)(=O)N(CCC)CCC(=O)[O-])C=C1	REAL300017229239	0	44	-1.0	-49.00	368.87	6.65	-42.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300017229240	0	38	-1.0	-50.74	341.53	5.47	-45.27
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017229241	0	38	-1.0	-47.82	351.29	5.76	-42.06
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300017229242	0	41	-1.0	-47.58	345.59	5.67	-41.91
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300017229243	0	47	-1.0	-47.30	385.38	7.22	-40.08
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300017229244	0	41	-1.0	-48.54	333.50	5.40	-43.14
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300017229245	0	45	-1.0	-50.16	380.99	5.12	-45.04
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C(C)=C1	REAL300017229246	0	48	-1.0	-49.46	401.07	5.86	-43.60
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300017229247	0	37	-1.0	-51.09	324.46	6.42	-44.67
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(CCC)CCC(=O)[O-])=C1	REAL300017229248	0	45	-1.0	-62.65	386.77	5.29	-57.36
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017229249	0	49	-1.0	-53.94	400.68	5.08	-48.86
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300017229250	0	44	-1.0	-64.29	367.83	5.47	-58.82
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1Br	REAL300017229251	0	37	-1.0	-49.74	321.05	6.49	-43.25
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300017229252	0	40	-1.0	-50.10	364.21	3.50	-46.60
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC	REAL300017229253	0	40	-1.0	-56.14	359.55	7.83	-48.31
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017229254	0	35	-1.0	-48.51	332.22	6.43	-42.08
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300017229255	0	37	-1.0	-46.16	334.50	7.11	-39.05
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300017229256	0	42	-1.0	-50.69	335.94	7.88	-42.81
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl	REAL300017229257	0	40	-1.0	-51.33	356.14	6.54	-44.79
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300017229258	0	43	-1.0	-56.23	364.74	3.61	-52.62
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300017229259	0	38	-1.0	-49.17	344.37	7.39	-41.78
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300017229260	0	35	-1.0	-43.65	332.26	6.43	-37.22
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1	REAL300017229261	0	50	-1.0	-50.09	408.23	7.41	-42.68
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017229262	0	46	-1.0	-52.28	405.03	3.48	-48.80
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300017229263	0	42	-1.0	-52.66	372.63	1.80	-50.86
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(C)=O)S1	REAL300017229264	0	44	-1.0	-57.73	392.32	4.59	-53.14
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300017229265	0	37	-1.0	-47.31	333.02	4.29	-43.02
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N=C(C)S1	REAL300017229266	0	36	-1.0	-49.73	320.41	3.99	-45.74
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017229267	0	36	-1.0	-62.33	311.36	7.24	-55.09
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017229268	0	37	-1.0	-47.30	352.61	7.40	-39.90
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)NC(C(=O)OCC)=C1C	REAL300017229269	0	47	-1.0	-54.75	389.05	6.23	-48.52
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017229270	0	34	-1.0	-49.11	311.69	6.45	-42.66
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300017229271	0	40	-1.0	-50.17	375.95	6.21	-43.96
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017229272	0	54	-1.0	-48.39	430.59	9.25	-39.14
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017229273	0	44	-1.0	-58.56	393.28	5.20	-53.36
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1C	REAL300017229274	0	43	-1.0	-50.52	358.75	6.74	-43.78
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017229275	0	36	-1.0	-53.26	332.95	7.85	-45.41
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1F	REAL300017229276	0	42	-1.0	-51.53	357.22	4.83	-46.70
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300017229277	0	45	-1.0	-48.64	362.25	5.27	-43.37
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017229278	0	36	-1.0	-51.67	335.24	7.71	-43.96
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300017229279	0	42	-1.0	-54.93	349.94	7.18	-47.75
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017229280	0	37	-1.0	-46.98	334.64	6.50	-40.48
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300017229281	0	39	-1.0	-50.27	338.61	1.78	-48.49
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300017229282	0	37	-1.0	-46.24	329.94	7.01	-39.23
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCCC1C(=O)OCC	REAL300017229283	0	45	-1.0	-55.69	372.32	6.07	-49.62
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300017229284	0	42	-1.0	-50.36	360.55	3.27	-47.09
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300017229285	0	44	-1.0	-46.13	343.43	6.10	-40.03
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017229286	0	42	-1.0	-53.70	368.97	5.52	-48.18
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C(=O)OC)C=C1	REAL300017229287	0	43	-1.0	-52.41	373.97	7.05	-45.36
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C(=O)OC)CC1	REAL300017229288	0	45	-1.0	-50.15	365.33	5.32	-44.83
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017229289	0	45	-1.0	-49.10	371.56	5.76	-43.34
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(=O)OC)=C1	REAL300017229290	0	43	-1.0	-58.05	373.97	7.04	-51.01
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OCC)O1	REAL300017229291	0	40	-1.0	-47.05	354.88	5.22	-41.83
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1	REAL300017229292	0	47	-1.0	-51.28	402.83	6.70	-44.58
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300017229293	0	44	-1.0	-50.39	361.84	6.52	-43.87
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017229294	0	38	-1.0	-61.61	334.37	5.99	-55.62
CCCN(CCC(=O)[O-])S(=O)(=O)CCCC(=O)OCC	REAL300017229295	0	42	-1.0	-55.36	358.07	5.87	-49.49
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017229296	0	37	-1.0	-50.99	323.69	7.15	-43.84
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017229297	0	36	-1.0	-53.04	337.52	7.95	-45.09
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300017229298	0	39	-1.0	-51.83	315.31	6.98	-44.85
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017229299	0	36	-1.0	-46.69	327.85	6.50	-40.19
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)C=CS1	REAL300017229300	0	31	-1.0	-46.75	304.68	5.17	-41.58
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017229301	0	38	-1.0	-47.49	328.56	5.84	-41.65
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300017229302	0	42	-1.0	-51.19	337.69	6.67	-44.52
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017229303	0	36	-1.0	-50.67	330.87	5.02	-45.65
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017229304	0	42	-1.0	-48.32	358.32	4.81	-43.51
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017229305	0	33	-1.0	-42.97	319.18	4.71	-38.26
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017229306	0	36	-1.0	-49.20	323.15	6.14	-43.06
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017229307	0	36	-1.0	-47.52	340.42	6.75	-40.77
CCCN(CCC(=O)[O-])S(=O)(=O)C1=NNC(C)=C1C(=O)OCC	REAL300017229308	0	43	-1.0	-54.31	372.19	4.14	-50.17
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300017229309	0	39	-1.0	-50.48	333.38	6.06	-44.42
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017229310	0	36	-1.0	-57.18	329.75	6.93	-50.25
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017229311	0	36	-1.0	-44.42	330.64	6.37	-38.05
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017229312	0	41	-1.0	-49.18	366.94	6.32	-42.86
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017229313	0	36	-1.0	-53.87	337.57	7.96	-45.91
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017229314	0	48	-1.0	-49.81	407.27	8.91	-40.90
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300017229315	0	42	-1.0	-54.12	366.96	2.24	-51.88
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)CC)=C1	REAL300017229316	0	42	-1.0	-61.25	359.10	6.90	-54.35
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCN(C(=O)OCC)CC1	REAL300017229317	0	47	-1.0	-50.11	381.72	4.33	-45.78
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21	REAL300017229318	0	43	-1.0	-51.52	368.08	6.58	-44.94
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017229319	0	44	-1.0	-47.33	382.62	7.19	-40.14
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017229320	0	37	-1.0	-55.45	318.13	4.58	-50.87
CCCN(CCC(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300017229321	0	56	-1.0	-48.93	431.85	8.49	-40.44
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300017229322	0	42	-1.0	-53.55	373.09	2.25	-51.30
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1	REAL300017229323	0	37	-1.0	-52.45	325.56	6.45	-46.00
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300017229324	0	40	-1.0	-50.36	361.12	3.17	-47.19
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21	REAL300017229325	0	47	-1.0	-52.54	387.51	8.35	-44.19
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OCC	REAL300017229326	0	44	-1.0	-52.48	362.74	7.13	-45.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017229327	0	39	-1.0	-55.86	344.30	5.80	-50.06
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017229328	0	41	-1.0	-52.52	357.26	6.74	-45.78
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017229329	0	36	-1.0	-53.61	340.43	6.76	-46.85
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300017229330	0	35	-1.0	-62.31	312.70	5.80	-56.51
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOCC)C=C1	REAL300017229331	0	48	-1.0	-51.74	402.85	6.09	-45.65
CCCCCOC1=CC=C(S(=O)(=O)N(CCC)CCC(=O)[O-])C=C1	REAL300017229332	0	50	-1.0	-48.85	411.87	8.21	-40.64
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017229333	0	36	-1.0	-54.35	318.58	7.21	-47.14
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1	REAL300017229334	0	40	-1.0	-46.56	355.36	6.30	-40.26
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl	REAL300017229335	0	40	-1.0	-46.51	368.42	6.92	-39.59
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC	REAL300017229336	0	44	-1.0	-53.32	375.40	6.24	-47.08
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)OC)S1	REAL300017229337	0	40	-1.0	-54.66	365.88	6.26	-48.40
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CS1	REAL300017229338	0	37	-1.0	-53.88	344.51	5.31	-48.57
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C	REAL300017229339	0	46	-1.0	-54.94	375.30	7.27	-47.67
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(=O)OC)=C1	REAL300017229340	0	40	-1.0	-45.68	363.34	6.67	-39.01
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1	REAL300017229341	0	43	-1.0	-46.53	366.84	6.81	-39.72
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1F	REAL300017229342	0	40	-1.0	-52.79	353.27	6.27	-46.52
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017229343	0	44	-1.0	-50.13	352.82	8.29	-41.84
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017229344	0	40	-1.0	-50.17	343.77	7.47	-42.70
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300017229345	0	33	-1.0	-44.97	312.38	4.44	-40.53
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017229346	0	38	-1.0	-47.88	352.39	7.09	-40.79
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2COCC2=C1	REAL300017229347	0	39	-1.0	-47.29	332.03	4.93	-42.36
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017229348	0	39	-1.0	-50.75	346.72	1.09	-49.66
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300017229349	0	48	-1.0	-49.37	409.02	7.57	-41.80
CCCN(CCC(=O)[O-])S(=O)(=O)CC1(CC(=O)OC)CC1	REAL300017229350	0	43	-1.0	-50.05	362.37	6.18	-43.87
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC	REAL300017229351	0	39	-1.0	-51.86	352.24	5.90	-45.96
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300017229352	0	37	-1.0	-49.44	325.25	6.32	-43.12
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300017229353	0	41	-1.0	-49.66	360.22	6.77	-42.89
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300017229354	0	46	-1.0	-50.25	386.71	7.17	-43.08
CCCCCCN1C=C(S(=O)(=O)N(CCC)CCC(=O)[O-])C(=O)NC1=O	REAL300017229355	0	52	-1.0	-49.11	427.85	6.54	-42.57
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1	REAL300017229356	0	44	-1.0	-48.39	380.63	7.66	-40.73
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1	REAL300017229357	0	41	-1.0	-49.80	370.04	4.70	-45.10
CCCN(CCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC	REAL300017229358	0	41	-1.0	-54.98	359.24	0.41	-54.57
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300017229359	0	37	-1.0	-49.36	325.25	6.33	-43.03
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl	REAL300017229360	0	39	-1.0	-47.71	347.22	7.15	-40.56
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300017229361	0	31	-1.0	-45.85	297.85	4.23	-41.62
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300017229362	0	40	-1.0	-50.94	345.20	6.82	-44.12
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017229363	0	31	-1.0	-43.11	318.74	5.76	-37.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017229364	0	37	-1.0	-48.10	341.29	7.13	-40.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017229365	0	37	-1.0	-48.12	351.60	7.57	-40.55
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300017229366	0	40	-1.0	-46.58	357.33	8.32	-38.26
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017229367	0	37	-1.0	-45.83	344.31	7.39	-38.44
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017229368	0	40	-1.0	-53.30	339.62	8.36	-44.94
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017229369	0	40	-1.0	-54.75	354.06	8.58	-46.17
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300017229370	0	45	-1.0	-48.48	401.36	4.57	-43.91
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)OCC)=C1	REAL300017229371	0	44	-1.0	-47.69	379.63	6.65	-41.04
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C(=O)OCC)CC2=C1	REAL300017229372	0	48	-1.0	-52.54	406.96	7.73	-44.81
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300017229373	0	40	-1.0	-52.38	361.12	3.17	-49.21
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300017229374	0	43	-1.0	-54.65	387.59	5.49	-49.16
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300017229375	0	47	-1.0	-55.06	403.43	7.20	-47.86
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1	REAL300017229376	0	40	-1.0	-51.36	352.09	7.64	-43.72
CCCN(CCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017229377	0	45	-1.0	-54.65	395.41	2.73	-51.92
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017229378	0	35	-1.0	-47.53	324.02	6.26	-41.27
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300017229379	0	45	-1.0	-48.92	370.63	6.28	-42.64
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)N1C	REAL300017229380	0	34	-1.0	-43.05	308.65	4.55	-38.50
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C	REAL300017229381	0	39	-1.0	-44.59	344.40	7.13	-37.46
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300017229382	0	38	-1.0	-50.37	351.23	7.09	-43.28
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300017229383	0	34	-1.0	-57.04	318.15	4.57	-52.47
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300017229384	0	37	-1.0	-57.77	338.59	6.50	-51.27
CCCN(CCC(=O)[O-])S(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017229385	0	46	-1.0	-51.30	396.48	8.15	-43.15
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(N(C)C)=CC=C1Br	REAL300017229386	0	42	-1.0	-51.15	354.56	6.30	-44.85
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1	REAL300017229387	0	39	-1.0	-48.75	358.53	5.65	-43.10
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC	REAL300017229388	0	40	-1.0	-53.08	359.56	7.85	-45.23
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(CC)N(C)N=C1CC	REAL300017229389	0	46	-1.0	-46.05	365.72	5.98	-40.07
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(CC)C2=C1	REAL300017229390	0	41	-1.0	-47.57	354.71	3.20	-44.37
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300017229391	0	39	-1.0	-44.86	349.08	6.95	-37.91
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C(=O)OC	REAL300017229392	0	40	-1.0	-53.04	349.22	7.40	-45.64
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017229393	0	37	-1.0	-67.20	314.61	4.75	-62.45
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017229394	0	37	-1.0	-45.61	352.60	7.46	-38.15
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300017229395	0	42	-1.0	-65.44	367.35	4.25	-61.19
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017229396	0	33	-1.0	-43.59	315.02	4.61	-38.98
CCCN(CCC(=O)[O-])S(=O)(=O)C1CCCCC1C(=O)OC	REAL300017229397	0	46	-1.0	-48.10	359.56	6.34	-41.76
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1	REAL300017229398	0	47	-1.0	-49.65	394.35	8.25	-41.40
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300017229399	0	41	-1.0	-52.82	343.76	5.79	-47.03
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300017229400	0	38	-1.0	-56.83	354.15	7.14	-49.69
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017229401	0	40	-1.0	-46.80	364.70	3.67	-43.13
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1OC	REAL300017229402	0	38	-1.0	-46.51	347.73	6.26	-40.25
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017229403	0	43	-1.0	-55.85	362.46	9.39	-46.46
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(CC)OC(C(=O)OC)=C1	REAL300017229404	0	43	-1.0	-51.29	365.57	5.61	-45.68
CCCN(CCC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017229405	0	51	-1.0	-59.81	402.62	7.37	-52.44
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300017229406	0	41	-1.0	-49.93	338.48	5.42	-44.51
CCCN(CCC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017229407	0	54	-1.0	-56.86	412.04	7.23	-49.63
CCCN(CCC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017229408	0	48	-1.0	-46.78	385.67	5.77	-41.01
CCCN(CCC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017229409	0	45	-1.0	-55.76	391.29	6.30	-49.46
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC	REAL300017229410	0	42	-1.0	-51.53	371.05	8.01	-43.52
CCCN(CCC(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1	REAL300017229411	0	44	-1.0	-56.90	350.42	6.56	-50.34
CCCN(CCC(=O)[O-])S(=O)(=O)CC1(C)CCCCC1	REAL300017229412	0	46	-1.0	-50.76	342.41	7.04	-43.72
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017229413	0	43	-1.0	-51.22	354.35	6.92	-44.30
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017229414	0	37	-1.0	-51.24	335.75	4.48	-46.76
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300017229415	0	38	-1.0	-46.13	331.75	5.00	-41.13
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300017229416	0	45	-1.0	-57.65	384.26	5.73	-51.92
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300017229417	0	48	-1.0	-52.13	404.62	6.87	-45.26
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300017229418	0	43	-1.0	-51.71	347.56	7.71	-44.00
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017229419	0	48	-1.0	-49.91	406.53	9.13	-40.78
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C(=O)OCC)=C(C)C2=C1	REAL300017229420	0	49	-1.0	-48.46	419.70	8.31	-40.15
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=CC=C1C	REAL300017229421	0	46	-1.0	-50.18	380.60	7.67	-42.51
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017229422	0	34	-1.0	-49.36	323.22	6.42	-42.94
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300017229423	0	34	-1.0	-46.97	325.08	5.86	-41.11
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1F	REAL300017229424	0	38	-1.0	-52.52	324.38	4.77	-47.75
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300017229425	0	42	-1.0	-61.61	345.82	8.39	-53.22
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017229426	0	40	-1.0	-48.81	357.04	7.42	-41.39
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300017229427	0	44	-1.0	-45.42	383.68	8.57	-36.85
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C=C1	REAL300017229428	0	42	-1.0	-48.78	363.28	3.86	-44.92
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300017229429	0	42	-1.0	-50.32	348.55	6.04	-44.28
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017229430	0	40	-1.0	-49.34	337.47	6.04	-43.30
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017229432	0	37	-1.0	-51.81	328.21	6.49	-45.32
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017229433	0	37	-1.0	-44.80	351.50	7.13	-37.67
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017229434	0	37	-1.0	-48.86	333.65	6.47	-42.39
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300017229435	0	37	-1.0	-48.97	338.74	6.91	-42.06
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC	REAL300017229436	0	45	-1.0	-50.61	367.84	4.39	-46.22
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300017229437	0	38	-1.0	-52.56	323.92	6.31	-46.25
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300017229438	0	45	-1.0	-64.88	381.51	5.53	-59.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017229439	0	46	-1.0	-51.10	391.18	5.41	-45.69
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1	REAL300017229440	0	40	-1.0	-44.92	359.49	6.46	-38.46
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300017229441	0	44	-1.0	-45.95	386.71	4.98	-40.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300017229442	0	44	-1.0	-51.46	375.43	6.26	-45.20
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1C	REAL300017229443	0	37	-1.0	-43.83	331.21	6.78	-37.05
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300017229444	0	42	-1.0	-52.99	353.85	7.65	-45.34
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017229445	0	42	-1.0	-55.88	359.05	6.92	-48.96
CCCN(CCC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017229446	0	40	-1.0	-59.10	335.35	1.99	-57.11
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300017229447	0	44	-1.0	-53.22	376.25	6.55	-46.67
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017229448	0	39	-1.0	-48.60	344.29	5.81	-42.79
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300017229449	0	38	-1.0	-50.29	332.72	5.17	-45.12
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C=C1C	REAL300017229450	0	44	-1.0	-48.30	355.35	6.32	-41.98
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300017229451	0	42	-1.0	-59.60	372.64	1.80	-57.80
CCCN(CCC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O	REAL300017229452	0	36	-1.0	-57.75	322.88	0.92	-56.83
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1C(=O)OC	REAL300017229453	0	43	-1.0	-56.58	368.09	7.45	-49.13
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017229454	0	38	-1.0	-49.34	330.51	5.86	-43.48
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C=C1	REAL300017229455	0	38	-1.0	-48.19	336.21	6.65	-41.54
CCCOC(=O)C1=CC=C(S(=O)(=O)N(CCC)CCC(=O)[O-])C=C1	REAL300017229456	0	46	-1.0	-46.56	394.22	8.02	-38.54
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)CC)C=C1	REAL300017229457	0	44	-1.0	-50.91	372.75	5.34	-45.57
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017229458	0	40	-1.0	-52.78	358.21	7.40	-45.38
CCCN(CCC(=O)[O-])S(=O)(=O)N(CC)CC1=CC=CC=C1	REAL300017229459	0	45	-1.0	-50.19	363.56	7.29	-42.90
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC)C(C)=N1	REAL300017229460	0	40	-1.0	-50.25	342.18	5.43	-44.82
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017229461	0	33	-1.0	-43.17	314.72	4.54	-38.63
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017229462	0	40	-1.0	-50.77	335.53	5.37	-45.40
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017229463	0	39	-1.0	-51.93	332.48	6.19	-45.74
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017229464	0	46	-1.0	-50.10	385.70	7.49	-42.61
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017229465	0	34	-1.0	-55.37	304.84	5.67	-49.70
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017229466	0	34	-1.0	-49.58	319.84	6.24	-43.34
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300017229467	0	40	-1.0	-44.56	350.45	7.15	-37.41
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017229468	0	40	-1.0	-53.38	370.43	6.54	-46.84
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300017229469	0	42	-1.0	-51.97	359.79	5.22	-46.75
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017229470	0	37	-1.0	-46.40	345.77	7.04	-39.36
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300017229471	0	38	-1.0	-52.92	333.23	2.46	-50.46
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017229472	0	43	-1.0	-49.21	377.57	8.47	-40.74
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300017229473	0	41	-1.0	-50.11	351.09	5.35	-44.76
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017229474	0	36	-1.0	-46.94	331.60	6.59	-40.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1	REAL300017229475	0	43	-1.0	-54.75	394.03	6.84	-47.91
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(=O)OC	REAL300017229476	0	40	-1.0	-56.41	349.22	7.38	-49.03
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017229477	0	37	-1.0	-50.05	332.73	6.84	-43.21
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017229478	0	46	-1.0	-57.36	392.61	4.13	-53.23
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017229479	0	41	-1.0	-49.74	365.15	6.18	-43.56
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017229480	0	34	-1.0	-47.88	322.74	6.52	-41.36
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017229481	0	42	-1.0	-51.32	365.39	3.10	-48.22
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1	REAL300017229512	0	43	-1.0	-46.22	377.22	7.23	-38.99
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017229513	0	42	-1.0	-56.42	359.35	6.48	-49.94
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017229514	0	34	-1.0	-48.14	307.85	5.95	-42.19
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(CCC)CCC(=O)[O-]	REAL300017229515	0	53	-1.0	-52.08	418.41	9.28	-42.80
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017229516	0	37	-1.0	-49.98	346.07	7.29	-42.69
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017229517	0	35	-1.0	-49.01	317.96	6.12	-42.89
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300017229518	0	41	-1.0	-55.58	368.65	5.14	-50.44
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300017229519	0	42	-1.0	-47.98	353.08	6.24	-41.74
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl	REAL300017229520	0	38	-1.0	-48.45	354.65	6.20	-42.25
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(CC)C=CC=C1CC	REAL300017229521	0	46	-1.0	-46.36	349.11	8.49	-37.87
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300017229522	0	46	-1.0	-54.81	377.41	4.18	-50.63
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300017229523	0	37	-1.0	-48.57	343.54	5.33	-43.24
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC	REAL300017229524	0	43	-1.0	-56.45	380.56	8.32	-48.13
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017229525	0	45	-1.0	-49.96	401.52	8.99	-40.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017229526	0	40	-1.0	-55.42	362.67	6.36	-49.06
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017229527	0	40	-1.0	-53.20	380.74	6.99	-46.21
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300017229528	0	43	-1.0	-51.24	361.57	6.99	-44.25
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017229529	0	36	-1.0	-44.06	345.53	6.92	-37.14
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(F)=C1OC	REAL300017229530	0	38	-1.0	-46.16	348.95	6.43	-39.73
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300017229531	0	46	-1.0	-46.15	368.18	5.98	-40.17
CCCN(CCC(=O)[O-])S(=O)(=O)C1CCN(C(=O)OCC)CC1	REAL300017229532	0	48	-1.0	-50.68	383.63	5.54	-45.14
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300017229533	0	43	-1.0	-51.60	372.39	4.70	-46.90
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017229534	0	33	-1.0	-44.21	323.14	4.67	-39.54
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017229535	0	37	-1.0	-48.33	326.25	6.04	-42.29
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017229536	0	37	-1.0	-51.10	322.07	4.29	-46.81
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCN12	REAL300017229537	0	38	-1.0	-53.58	326.38	5.19	-48.39
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017229538	0	42	-1.0	-47.94	349.72	6.26	-41.68
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300017229539	0	38	-1.0	-50.90	330.91	5.19	-45.71
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21	REAL300017229540	0	43	-1.0	-48.61	375.84	8.16	-40.45
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)OC)C=C1	REAL300017229541	0	43	-1.0	-52.65	372.98	7.07	-45.58
CCCN(CCC(=O)[O-])S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017229542	0	41	-1.0	-49.55	334.55	7.35	-42.20
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300017229543	0	44	-1.0	-51.90	378.62	7.41	-44.49
CCCN(CCC(=O)[O-])S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017229544	0	52	-1.0	-52.10	427.75	7.50	-44.60
CCCN(CCC(=O)[O-])S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017229545	0	52	-1.0	-52.13	430.41	7.57	-44.56
CCCN(CCC(=O)[O-])S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017229546	0	49	-1.0	-50.16	415.86	6.78	-43.38
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300017229547	0	36	-1.0	-43.83	335.33	6.01	-37.82
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300017229548	0	45	-1.0	-57.00	374.83	6.65	-50.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017229549	0	34	-1.0	-49.15	327.76	6.90	-42.25
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017229550	0	34	-1.0	-46.97	332.15	6.70	-40.27
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300017229551	0	44	-1.0	-50.90	352.93	7.13	-43.77
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300017229552	0	38	-1.0	-46.51	335.99	6.53	-39.98
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300017229553	0	40	-1.0	-45.99	355.32	6.32	-39.67
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300017229554	0	38	-1.0	-49.51	337.48	6.11	-43.40
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1C	REAL300017229555	0	41	-1.0	-49.25	333.51	5.39	-43.86
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017229556	0	35	-1.0	-48.45	336.51	6.52	-41.93
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300017229557	0	41	-1.0	-50.39	357.80	6.32	-44.07
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1	REAL300017229558	0	40	-1.0	-47.29	370.39	6.40	-40.89
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1	REAL300017229559	0	41	-1.0	-51.35	357.19	4.65	-46.70
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300017229560	0	42	-1.0	-49.69	359.86	5.08	-44.61
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017229561	0	38	-1.0	-47.65	341.49	5.27	-42.38
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017229562	0	37	-1.0	-42.89	340.35	6.69	-36.20
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300017229563	0	45	-1.0	-51.77	387.35	2.71	-49.06
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2SC(C(=O)OCC)=CC2=C1	REAL300017229564	0	46	-1.0	-47.28	410.62	8.68	-38.60
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017229565	0	38	-1.0	-51.59	338.29	6.79	-44.80
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1Br	REAL300017229566	0	38	-1.0	-50.16	329.10	5.13	-45.03
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017229567	0	39	-1.0	-58.87	352.87	1.20	-57.67
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300017229568	0	40	-1.0	-47.11	330.22	4.77	-42.34
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300017229569	0	40	-1.0	-54.40	341.96	6.89	-47.51
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017229570	0	34	-1.0	-47.47	313.92	6.24	-41.23
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300017229571	0	40	-1.0	-44.30	320.24	6.89	-37.41
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017229572	0	34	-1.0	-47.41	320.12	6.44	-40.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2	REAL300017229573	0	44	-1.0	-51.67	371.41	2.81	-48.86
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)S1	REAL300017229574	0	32	-1.0	-48.41	308.95	5.19	-43.22
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017229575	0	35	-1.0	-49.36	319.12	4.19	-45.17
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=CC(OC)=C1	REAL300017229576	0	37	-1.0	-48.51	320.63	3.10	-45.41
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017229577	0	34	-1.0	-53.64	319.15	6.22	-47.42
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300017229578	0	44	-1.0	-48.70	378.09	6.35	-42.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017229579	0	38	-1.0	-56.04	347.26	2.91	-53.13
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OCC)=C1	REAL300017229580	0	41	-1.0	-52.37	347.39	5.85	-46.52
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017229581	0	45	-1.0	-51.23	371.98	7.07	-44.16
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017229582	0	38	-1.0	-43.67	352.69	6.81	-36.86
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017229620	0	35	-1.0	-60.78	322.20	6.17	-54.61
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300017229621	0	38	-1.0	-51.92	333.06	6.88	-45.04
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1	REAL300017229622	0	48	-1.0	-49.54	392.62	5.04	-44.50
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300017229623	0	42	-1.0	-45.05	369.81	6.75	-38.30
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300017229624	0	39	-1.0	-45.52	340.23	6.81	-38.71
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Br	REAL300017229625	0	37	-1.0	-50.56	325.20	6.60	-43.96
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300017229626	0	37	-1.0	-50.67	336.42	4.39	-46.28
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300017229627	0	45	-1.0	-51.31	384.34	6.37	-44.94
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017229628	0	36	-1.0	-47.92	328.08	5.12	-42.80
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300017229629	0	44	-1.0	-54.43	374.28	6.28	-48.15
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CS1	REAL300017229630	0	35	-1.0	-52.34	319.54	4.43	-47.91
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300017229631	0	44	-1.0	-55.82	370.91	5.41	-50.41
CCCN(CCC(=O)[O-])S(=O)(=O)CCCC(F)(F)F	REAL300017229632	0	36	-1.0	-51.65	320.37	5.31	-46.34
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017229633	0	39	-1.0	-56.69	342.51	5.72	-50.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017229634	0	40	-1.0	-53.94	342.91	3.32	-50.62
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017229635	0	46	-1.0	-48.78	370.24	6.18	-42.60
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017229636	0	36	-1.0	-48.14	330.79	4.86	-43.28
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300017229637	0	37	-1.0	-51.03	322.60	6.54	-44.49
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300017229638	0	42	-1.0	-56.33	348.06	6.15	-50.18
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300017229639	0	36	-1.0	-45.27	326.71	4.81	-40.46
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017229640	0	40	-1.0	-50.85	347.39	4.69	-46.16
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017229641	0	33	-1.0	-45.24	317.45	5.40	-39.84
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017229642	0	43	-1.0	-46.45	369.51	7.30	-39.15
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300017229643	0	38	-1.0	-55.30	333.11	6.58	-48.72
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300017229644	0	42	-1.0	-52.47	352.46	4.09	-48.38
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017229645	0	35	-1.0	-49.68	322.19	6.28	-43.40
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017229646	0	40	-1.0	-53.90	344.26	6.98	-46.92
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300017229647	0	42	-1.0	-55.77	343.05	7.09	-48.68
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC)C(CC)=C1	REAL300017229648	0	46	-1.0	-48.93	373.09	8.19	-40.74
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300017229649	0	42	-1.0	-44.59	344.95	7.62	-36.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300017229650	0	37	-1.0	-50.90	327.87	6.92	-43.98
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)OC(C(=O)OC)=C1	REAL300017229651	0	40	-1.0	-46.05	349.55	5.08	-40.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)S1	REAL300017229652	0	37	-1.0	-50.09	329.52	6.05	-44.04
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1F	REAL300017229653	0	37	-1.0	-52.54	309.15	6.35	-46.19
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017229654	0	35	-1.0	-46.67	318.28	3.58	-43.09
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(CC)S1	REAL300017229655	0	36	-1.0	-47.80	326.61	4.19	-43.61
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017229656	0	40	-1.0	-59.11	348.44	7.14	-51.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSN=C1C(=O)OC	REAL300017229657	0	36	-1.0	-54.98	333.25	4.47	-50.51
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300017229658	0	36	-1.0	-52.92	329.53	3.95	-48.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300017229659	0	40	-1.0	-47.79	340.50	6.82	-40.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017229660	0	42	-1.0	-63.89	355.60	4.08	-59.81
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017229661	0	45	-1.0	-49.02	358.97	3.63	-45.39
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)OC)=C1	REAL300017229662	0	41	-1.0	-48.08	357.77	5.72	-42.36
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017229663	0	33	-1.0	-45.11	307.81	4.33	-40.78
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1F	REAL300017229664	0	37	-1.0	-54.15	318.86	6.26	-47.89
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300017229665	0	45	-1.0	-48.36	378.62	7.48	-40.88
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017229666	0	37	-1.0	-50.47	341.20	6.93	-43.54
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017229667	0	37	-1.0	-47.12	341.75	6.94	-40.18
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017229668	0	34	-1.0	-49.65	309.28	6.33	-43.32
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300017229669	0	37	-1.0	-49.74	323.85	6.36	-43.38
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(OC)=C1	REAL300017229670	0	37	-1.0	-44.88	336.92	3.55	-41.33
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017229671	0	38	-1.0	-52.06	345.31	6.80	-45.26
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)N=C1	REAL300017229672	0	39	-1.0	-49.00	346.79	4.45	-44.55
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017229673	0	33	-1.0	-49.76	309.36	4.86	-44.90
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300017229674	0	41	-1.0	-48.65	351.09	5.36	-43.29
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300017229675	0	39	-1.0	-50.00	341.48	6.00	-44.00
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1	REAL300017229676	0	40	-1.0	-47.60	367.53	6.79	-40.81
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017229677	0	37	-1.0	-48.43	332.85	3.38	-45.05
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)N=C1	REAL300017229678	0	40	-1.0	-48.13	345.12	3.21	-44.92
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017229679	0	43	-1.0	-59.80	381.04	3.84	-55.96
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1	REAL300017229680	0	41	-1.0	-50.65	357.75	4.63	-46.02
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1	REAL300017229681	0	48	-1.0	-57.63	387.65	7.21	-50.42
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017229682	0	37	-1.0	-51.38	315.93	4.16	-47.22
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300017229683	0	40	-1.0	-46.06	351.95	7.49	-38.57
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300017229684	0	44	-1.0	-59.07	381.45	3.11	-55.96
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1	REAL300017229685	0	51	-1.0	-52.36	407.80	7.55	-44.81
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1	REAL300017229686	0	43	-1.0	-53.60	380.96	7.09	-46.51
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300017229687	0	43	-1.0	-50.34	361.67	7.82	-42.52
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017229688	0	37	-1.0	-50.19	327.54	6.87	-43.32
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017229689	0	37	-1.0	-49.37	340.45	7.50	-41.87
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1	REAL300017229690	0	48	-1.0	-63.57	407.56	3.82	-59.75
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=CC=C1OC	REAL300017229691	0	47	-1.0	-52.88	397.27	7.17	-45.71
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)OCC)=C1	REAL300017229692	0	46	-1.0	-51.15	388.71	7.74	-43.41
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)OCC)=C1	REAL300017229693	0	46	-1.0	-52.22	394.84	7.99	-44.23
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC	REAL300017229694	0	45	-1.0	-55.41	388.36	5.48	-49.93
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=C(C)C=C1F	REAL300017229695	0	46	-1.0	-49.80	391.15	7.74	-42.06
CCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017229696	0	40	-1.0	-49.19	357.39	7.67	-41.52
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=CC=C1F	REAL300017229697	0	43	-1.0	-52.26	375.13	7.19	-45.07
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017229698	0	44	-1.0	-48.43	370.22	9.04	-39.39
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC)CCC(=O)[O-])C=C1	REAL300017229699	0	48	-1.0	-51.99	415.16	3.42	-48.57
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300017229700	0	37	-1.0	-49.88	335.94	6.95	-42.93
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)C(=O)OCC)=C1	REAL300017229701	0	46	-1.0	-46.85	398.61	6.83	-40.02
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017229702	0	38	-1.0	-50.17	342.23	6.52	-43.65
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017229703	0	37	-1.0	-48.25	328.20	6.50	-41.75
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300017229704	0	36	-1.0	-46.41	324.58	5.07	-41.34
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300017229705	0	37	-1.0	-51.62	340.82	5.15	-46.47
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017229706	0	35	-1.0	-49.34	319.44	4.48	-44.86
CCCN(CCC(=O)[O-])S(=O)(=O)CC(C)(C)C(=O)OC	REAL300017229707	0	42	-1.0	-48.94	344.31	5.59	-43.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1	REAL300017229708	0	47	-1.0	-64.40	388.15	6.47	-57.93
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1F	REAL300017229709	0	40	-1.0	-53.29	353.24	6.29	-47.00
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC	REAL300017229710	0	45	-1.0	-54.04	391.75	5.14	-48.90
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1	REAL300017229711	0	49	-1.0	-46.49	408.95	8.45	-38.04
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1	REAL300017229712	0	46	-1.0	-54.38	399.68	4.84	-49.54
CCCN(CCC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCC1	REAL300017229713	0	46	-1.0	-55.49	369.51	6.78	-48.71
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300017229714	0	41	-1.0	-49.40	367.81	5.86	-43.54
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300017229715	0	40	-1.0	-45.49	350.46	7.14	-38.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017229716	0	45	-1.0	-48.38	401.42	8.99	-39.39
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)OC)=C1	REAL300017229717	0	43	-1.0	-52.26	372.98	7.06	-45.20
CCCN(CCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	REAL300017229718	0	44	-1.0	-50.06	340.07	7.13	-42.93
CCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017229719	0	40	-1.0	-51.83	356.85	7.61	-44.22
CCCN(CCC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCC1	REAL300017229720	0	43	-1.0	-55.92	354.76	6.09	-49.83
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017229721	0	34	-1.0	-47.53	329.08	5.84	-41.69
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1	REAL300017229722	0	47	-1.0	-55.79	405.86	5.99	-49.80
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC(C(=O)OCC)=C1	REAL300017229723	0	50	-1.0	-55.61	427.72	6.92	-48.69
CCCN(CCC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCCC1	REAL300017229724	0	49	-1.0	-56.58	376.80	7.76	-48.82
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F	REAL300017229725	0	42	-1.0	-55.81	364.55	6.63	-49.18
CCCN(CCC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017229726	0	36	-1.0	-55.75	320.62	4.52	-51.23
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017229727	0	38	-1.0	-55.76	326.83	5.51	-50.25
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300017229728	0	47	-1.0	-50.83	395.82	9.47	-41.36
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017229729	0	37	-1.0	-53.11	350.75	7.40	-45.71
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017229730	0	37	-1.0	-54.05	341.63	6.98	-47.07
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)C=CC(OC)=C1F	REAL300017229731	0	38	-1.0	-49.15	340.80	5.76	-43.39
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=C(C)C=C(C#N)C=C1C	REAL300017229732	0	44	-1.0	-50.63	369.97	7.98	-42.65
CCCN(CCC(=O)[O-])S(=O)(=O)CCC(C)(C)C1CC1	REAL300017229733	0	46	-1.0	-49.36	359.68	7.11	-42.25
CCCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017229734	0	38	-1.0	-49.82	344.40	7.33	-42.49
CCCN(CCC(=O)[O-])S(=O)(=O)CCCC(C)(F)F	REAL300017229735	0	39	-1.0	-53.22	334.86	5.83	-47.39
CCCN(CCC(=O)[O-])S(=O)(=O)CCCC1=CC=CC=C1	REAL300017229736	0	43	-1.0	-51.23	362.15	7.94	-43.29
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300017229738	0	38	-1.0	-48.12	331.22	1.13	-46.99
CCCC1=CC=CC=C1S(=O)(=O)N(CCC)CCC(=O)[O-]	REAL300017229742	0	43	-1.0	-49.37	350.81	8.17	-41.20
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017229743	0	43	-1.0	-49.95	357.52	6.38	-43.57
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)F	REAL300017229744	0	34	-1.0	-49.98	315.20	5.69	-44.29
CCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017229745	0	40	-1.0	-49.55	347.07	7.23	-42.32
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300017229746	0	50	-1.0	-46.62	403.55	8.14	-38.48
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017229747	0	39	-1.0	-54.53	332.63	6.28	-48.25
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O	REAL300017229748	0	54	-1.0	-60.86	422.62	8.07	-52.79
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CN1C	REAL300017229749	0	41	-1.0	-52.27	359.64	5.98	-46.29
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017229750	0	48	-1.0	-50.04	391.57	5.71	-44.33
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017229751	0	49	-1.0	-69.16	406.69	8.28	-60.88
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(=O)CC)C2=C1	REAL300017229752	0	48	-1.0	-56.93	396.83	7.56	-49.37
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017229753	0	41	-1.0	-48.07	346.57	5.31	-42.76
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300017229754	0	41	-1.0	-48.44	346.70	5.60	-42.84
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017229755	0	44	-1.0	-47.76	364.01	6.32	-41.44
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017229763	0	40	-1.0	-49.40	363.43	6.52	-42.88
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017229764	0	40	-1.0	-47.85	346.73	2.86	-44.99
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)C=CO1	REAL300017229765	0	31	-1.0	-49.15	300.01	4.41	-44.74
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300017229766	0	41	-1.0	-51.25	342.62	5.77	-45.48
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300017229767	0	38	-1.0	-45.99	341.93	5.17	-40.82
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C=C1F	REAL300017229768	0	38	-1.0	-49.11	334.22	4.99	-44.12
CCCCCOC1=CC=C(S(=O)(=O)N(CCC)CCC(=O)[O-])C=C1C(C)C	REAL300017229769	0	59	-1.0	-46.72	470.47	10.24	-36.48
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300017229770	0	50	-1.0	-51.24	400.44	7.77	-43.47
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300017229771	0	44	-1.0	-50.85	366.95	7.20	-43.65
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)SC=C1C	REAL300017229772	0	37	-1.0	-45.98	312.97	6.13	-39.85
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300017229773	0	42	-1.0	-55.18	351.42	6.43	-48.75
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300017229774	0	42	-1.0	-47.73	365.27	5.28	-42.45
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300017229775	0	42	-1.0	-56.34	364.27	7.84	-48.50
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300017229776	0	38	-1.0	-48.43	330.70	6.26	-42.17
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)SC(C)=C1Br	REAL300017229777	0	37	-1.0	-50.17	333.28	6.79	-43.38
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(C)C=C1Br	REAL300017229778	0	37	-1.0	-48.29	337.74	7.51	-40.78
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C	REAL300017229779	0	51	-1.0	-58.53	406.03	7.73	-50.80
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017229780	0	40	-1.0	-51.86	346.27	6.17	-45.69
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C	REAL300017229781	0	48	-1.0	-56.28	395.46	7.24	-49.04
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC=C1Cl	REAL300017229782	0	31	-1.0	-50.58	296.11	4.92	-45.66
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=NN1C	REAL300017229783	0	34	-1.0	-46.05	314.17	3.76	-42.29
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017229784	0	36	-1.0	-46.07	330.22	4.82	-41.25
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300017229785	0	39	-1.0	-59.74	333.40	5.11	-54.63
CCCN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017229786	0	43	-1.0	-49.11	339.22	5.47	-43.64
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017229787	0	38	-1.0	-53.69	348.16	6.12	-47.57
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017229788	0	35	-1.0	-43.40	310.81	4.42	-38.98
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017229789	0	37	-1.0	-51.68	334.75	7.07	-44.61
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017229790	0	38	-1.0	-49.91	343.04	5.86	-44.05
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017229791	0	37	-1.0	-60.67	334.97	5.09	-55.58
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300017229792	0	41	-1.0	-47.20	347.43	5.42	-41.78
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300017229793	0	43	-1.0	-44.18	342.17	7.62	-36.56
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300017229794	0	42	-1.0	-53.00	347.47	5.56	-47.44
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017229795	0	43	-1.0	-51.78	364.33	2.86	-48.92
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300017229796	0	35	-1.0	-43.49	336.52	6.53	-36.96
CCCN(CCC(=O)[O-])S(=O)(=O)C1=COC2=CC=CC=C12	REAL300017229797	0	37	-1.0	-49.08	323.11	5.84	-43.24
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC(OC)=C1OC	REAL300017229798	0	42	-1.0	-51.68	353.68	5.92	-45.76
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1	REAL300017229799	0	37	-1.0	-43.85	355.17	5.04	-38.81
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300017229800	0	47	-1.0	-51.83	380.29	6.48	-45.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300017229801	0	38	-1.0	-46.41	343.80	7.40	-39.01
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300017229803	0	41	-1.0	-51.43	347.05	5.39	-46.04
CCCN(CCC(=O)[O-])C(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017229804	0	36	-1.0	-51.31	328.04	9.61	-41.70
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017229805	0	38	-1.0	-51.49	335.26	5.21	-46.28
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017229806	0	38	-1.0	-56.59	342.88	5.87	-50.72
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017229807	0	37	-1.0	-51.95	324.55	4.80	-47.15
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300017229808	0	39	-1.0	-65.37	336.74	4.06	-61.31
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300017229810	0	40	-1.0	-46.56	343.51	7.27	-39.29
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCCC(C)(C)C1	REAL300017229811	0	45	-1.0	-48.27	349.45	5.96	-42.31
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017229812	0	40	-1.0	-46.15	361.17	6.68	-39.47
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017229813	0	37	-1.0	-49.15	325.22	5.90	-43.25
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300017229814	0	44	-1.0	-51.21	370.85	6.14	-45.07
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300017229815	0	52	-1.0	-51.67	407.72	9.64	-42.03
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017229816	0	40	-1.0	-50.39	367.24	7.50	-42.89
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)SC=C1	REAL300017229817	0	31	-1.0	-49.14	296.96	5.03	-44.11
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017229818	0	44	-1.0	-52.29	370.62	6.27	-46.02
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017229819	0	38	-1.0	-49.03	335.27	6.91	-42.12
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017229820	0	45	-1.0	-49.94	389.32	8.55	-41.39
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300017229821	0	47	-1.0	-55.47	385.82	4.03	-51.44
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300017229822	0	43	-1.0	-64.56	359.49	6.90	-57.66
CCCC1=CC=CC(S(=O)(=O)N(CCC)CCC(=O)[O-])=C1	REAL300017229823	0	43	-1.0	-48.92	360.41	7.84	-41.08
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=NN1C	REAL300017229824	0	40	-1.0	-50.83	348.45	3.99	-46.84
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300017229825	0	35	-1.0	-52.25	320.57	6.14	-46.11
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300017229826	0	41	-1.0	-48.69	337.70	5.15	-43.54
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017229827	0	38	-1.0	-45.78	352.50	6.97	-38.81
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1	REAL300017229828	0	46	-1.0	-48.85	396.65	8.53	-40.32
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300017229829	0	43	-1.0	-48.57	341.04	5.29	-43.28
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300017229830	0	43	-1.0	-51.72	361.15	5.34	-46.38
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300017229831	0	41	-1.0	-50.38	340.66	4.64	-45.74
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300017229832	0	39	-1.0	-44.84	346.98	5.41	-39.43
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017229833	0	37	-1.0	-45.15	341.16	6.69	-38.46
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CF)C=C1	REAL300017229834	0	37	-1.0	-49.17	324.01	6.45	-42.72
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017229835	0	34	-1.0	-48.40	320.70	6.01	-42.39
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017229836	0	34	-1.0	-44.66	328.02	5.75	-38.91
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(F)(F)CC1	REAL300017229837	0	39	-1.0	-46.80	325.65	4.93	-41.87
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017229838	0	37	-1.0	-42.86	347.92	7.05	-35.81
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017229839	0	37	-1.0	-55.28	318.34	6.89	-48.39
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CCC)CCC(=O)[O-])=C1	REAL300017229840	0	45	-1.0	-61.12	380.59	7.66	-53.46
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017229841	0	45	-1.0	-50.51	361.63	8.58	-41.93
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300017229842	0	44	-1.0	-50.96	376.24	7.31	-43.65
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017229843	0	40	-1.0	-47.60	355.56	6.61	-40.99
CCCN(CCC(=O)[O-])S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017229844	0	40	-1.0	-48.54	335.81	6.00	-42.54
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300017229845	0	39	-1.0	-46.73	351.23	6.27	-40.46
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017229846	0	43	-1.0	-57.04	370.21	5.59	-51.45
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017229847	0	34	-1.0	-49.16	319.16	5.90	-43.26
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300017229848	0	41	-1.0	-49.56	345.25	7.72	-41.84
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)SC=C1	REAL300017229849	0	35	-1.0	-50.39	316.40	4.27	-46.12
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017229850	0	37	-1.0	-49.58	330.12	7.07	-42.51
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(C)S1	REAL300017229851	0	40	-1.0	-46.31	362.14	6.00	-40.31
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017229852	0	41	-1.0	-51.56	344.14	7.58	-43.98
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017229853	0	44	-1.0	-47.71	364.22	6.32	-41.39
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)CC	REAL300017229854	0	43	-1.0	-46.44	354.54	5.46	-40.98
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)NC)C=C1	REAL300017229855	0	43	-1.0	-51.76	367.32	3.16	-48.60
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300017229856	0	37	-1.0	-58.74	350.45	2.15	-56.59
CCCN(CCC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300017229857	0	48	-1.0	-50.09	363.53	6.55	-43.54
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C=C1OC	REAL300017229858	0	38	-1.0	-46.52	333.43	5.71	-40.81
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300017229859	0	48	-1.0	-48.71	389.91	4.69	-44.02
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300017229860	0	40	-1.0	-52.32	349.24	7.15	-45.17
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017229861	0	38	-1.0	-50.58	335.27	5.21	-45.37
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017229862	0	49	-1.0	-48.98	390.42	8.22	-40.76
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)S1	REAL300017229863	0	35	-1.0	-48.76	320.30	4.10	-44.66
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300017229864	0	45	-1.0	-57.81	360.01	7.90	-49.91
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017229865	0	42	-1.0	-48.89	351.72	5.73	-43.16
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CCF)N=C1	REAL300017229866	0	37	-1.0	-50.89	329.35	4.33	-46.56
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(COCC)=C1	REAL300017229867	0	44	-1.0	-50.26	372.95	6.32	-43.94
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300017229870	0	44	-1.0	-48.77	379.28	6.87	-41.90
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017229871	0	47	-1.0	-50.57	383.00	6.57	-44.00
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017229872	0	45	-1.0	-48.67	384.70	8.47	-40.20
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CF	REAL300017229873	0	37	-1.0	-49.26	315.03	6.66	-42.60
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300017229874	0	40	-1.0	-48.02	351.17	7.23	-40.79
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)N(CC)N=C1	REAL300017229875	0	37	-1.0	-47.53	333.89	4.44	-43.09
CCCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017229876	0	38	-1.0	-49.80	348.42	7.42	-42.38
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1	REAL300017229877	0	40	-1.0	-47.77	381.52	6.87	-40.90
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017229878	0	34	-1.0	-46.48	324.57	6.49	-39.99
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017229879	0	36	-1.0	-43.88	334.14	4.84	-39.04
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017229880	0	39	-1.0	-53.05	348.65	6.69	-46.36
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017229881	0	39	-1.0	-55.41	349.40	6.74	-48.67
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300017229882	0	43	-1.0	-53.93	355.07	8.60	-45.33
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC(Br)=C1F	REAL300017229883	0	38	-1.0	-47.43	346.29	6.63	-40.80
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017229884	0	41	-1.0	-52.07	353.95	6.00	-46.07
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300017229885	0	48	-1.0	-50.39	400.61	7.15	-43.24
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017229886	0	34	-1.0	-51.07	320.58	6.17	-44.90
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1	REAL300017229887	0	40	-1.0	-61.11	360.23	1.94	-59.17
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300017229888	0	44	-1.0	-55.72	373.09	6.77	-48.95
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017229889	0	40	-1.0	-48.97	370.46	3.09	-45.88
CCCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017229890	0	38	-1.0	-46.26	336.56	6.97	-39.29
CCCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017229891	0	38	-1.0	-47.29	351.45	7.52	-39.77
CCCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017229892	0	38	-1.0	-45.97	351.45	7.53	-38.44
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017229893	0	38	-1.0	-50.13	340.34	6.97	-43.16
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCCCC1C(=O)OC	REAL300017229894	0	45	-1.0	-50.00	353.34	6.22	-43.78
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300017229895	0	56	-1.0	-48.26	425.67	9.81	-38.45
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300017229896	0	37	-1.0	-55.64	341.46	6.45	-49.19
CCCN(CCC(=O)[O-])S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300017229897	0	45	-1.0	-49.63	373.86	6.72	-42.91
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C=CC(=O)OC)C=C1	REAL300017229898	0	44	-1.0	-49.51	382.76	7.54	-41.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=NNC(C(=O)OCC)=C1	REAL300017229899	0	40	-1.0	-49.40	356.87	3.47	-45.93
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300017229900	0	39	-1.0	-52.32	345.38	3.61	-48.71
CCCN(CCC(=O)[O-])C(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300017229901	0	51	-1.0	-41.58	348.82	9.25	-32.33
CCCN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017229902	0	46	-1.0	-48.92	353.49	5.95	-42.97
CCCN(CCC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300017229903	0	45	-1.0	-48.85	374.31	7.38	-41.47
CCCN(CCC(=O)[O-])C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017229904	0	45	-1.0	-54.71	344.61	11.32	-43.39
CCCN(CCC(=O)[O-])C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017229905	0	51	-1.0	-54.31	383.90	11.18	-43.13
CCCN(CCC(=O)[O-])C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	REAL300017229906	0	52	-1.0	-41.54	387.45	7.73	-33.81
CCCN(CCC(=O)[O-])C(=O)N1CCC(C(=O)OC)CC1	REAL300017229907	0	44	-1.0	-56.22	338.78	7.67	-48.55
CCCN(CCC(=O)[O-])C(=O)N(C)C1CCS(=O)(=O)C1	REAL300017229908	0	41	-1.0	-61.98	324.82	3.62	-58.36
CCCN(CCC(=O)[O-])C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300017229909	0	53	-1.0	-53.59	398.50	8.58	-45.01
CCCN(CCC(=O)[O-])C(=O)N1CCOC(C(=O)OC)C1	REAL300017229910	0	42	-1.0	-54.00	332.14	5.99	-48.01
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC(Br)=C1OC	REAL300017229911	0	38	-1.0	-48.24	344.91	6.83	-41.41
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017229912	0	38	-1.0	-49.23	341.28	6.64	-42.59
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017229913	0	38	-1.0	-46.91	341.51	5.27	-41.64
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300017229914	0	40	-1.0	-50.07	337.06	5.50	-44.57
CCCN(CCC(=O)[O-])C(=O)N1CCC(OC(C)=O)CC1	REAL300017229915	0	44	-1.0	-53.70	339.95	7.91	-45.79
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300017229916	0	41	-1.0	-54.01	349.70	7.41	-46.60
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017229917	0	37	-1.0	-53.29	323.70	6.85	-46.44
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017229918	0	43	-1.0	-48.85	374.89	6.11	-42.74
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017229919	0	31	-1.0	-43.31	321.11	5.73	-37.58
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300017229920	0	34	-1.0	-47.64	312.10	3.57	-44.07
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300017229921	0	47	-1.0	-52.51	382.66	7.80	-44.71
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C	REAL300017229922	0	51	-1.0	-49.51	414.35	7.54	-41.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017229923	0	37	-1.0	-42.49	351.42	7.01	-35.48
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017229924	0	39	-1.0	-49.24	348.64	6.31	-42.93
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC[C@H]1C(=O)OC	REAL300017229925	0	42	-1.0	-55.21	350.49	5.06	-50.15
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017229926	0	45	-1.0	-53.26	386.44	8.54	-44.72
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300017229927	0	40	-1.0	-56.47	334.87	7.43	-49.04
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017229928	0	39	-1.0	-54.57	350.91	4.22	-50.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017229929	0	35	-1.0	-49.25	332.03	4.51	-44.74
CCCN(CCC(=O)[O-])C(=O)N1CCCC(OC(C)=O)C1	REAL300017229930	0	44	-1.0	-62.23	341.19	7.83	-54.40
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1COC	REAL300017229931	0	38	-1.0	-49.58	332.31	1.95	-47.63
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300017229932	0	36	-1.0	-47.85	316.96	4.76	-43.09
C=C(C)COC1=CC=CC(S(=O)(=O)N(CCC)CCC(=O)[O-])=C1	REAL300017229933	0	45	-1.0	-53.59	379.70	7.25	-46.34
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300017229934	0	44	-1.0	-51.41	368.59	6.26	-45.15
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300017229935	0	38	-1.0	-58.51	326.89	4.71	-53.80
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017229936	0	40	-1.0	-47.11	358.61	8.40	-38.71
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(OC(C)=O)C1	REAL300017229937	0	42	-1.0	-49.34	354.00	4.75	-44.59
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017229938	0	44	-1.0	-48.71	386.94	9.56	-39.15
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(CC)=C1	REAL300017229939	0	40	-1.0	-45.59	355.06	7.50	-38.09
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300017229940	0	47	-1.0	-46.79	381.43	6.77	-40.02
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CS1	REAL300017229941	0	31	-1.0	-46.08	305.32	5.16	-40.92
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300017229942	0	48	-1.0	-52.36	397.32	6.09	-46.27
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017229943	0	40	-1.0	-51.31	354.76	8.60	-42.71
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300017229944	0	42	-1.0	-47.05	341.10	3.15	-43.90
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300017229945	0	41	-1.0	-48.66	330.34	7.34	-41.32
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C)(C)CC1	REAL300017229946	0	45	-1.0	-47.92	348.58	5.72	-42.20
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(COC(C)=O)CC1	REAL300017229947	0	48	-1.0	-52.32	390.14	6.34	-45.98
CCCN(CCC(=O)[O-])S(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC	REAL300017229948	0	48	-1.0	-58.85	405.51	6.03	-52.82
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017229949	0	44	-1.0	-50.06	357.47	3.34	-46.72
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)N=C1C	REAL300017229950	0	40	-1.0	-47.67	339.86	3.13	-44.54
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300017229951	0	40	-1.0	-48.83	340.00	3.62	-45.21
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017229952	0	49	-1.0	-48.78	397.90	6.01	-42.77
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300017229953	0	37	-1.0	-46.74	335.29	3.47	-43.27
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300017229954	0	40	-1.0	-46.99	343.37	3.00	-43.99
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300017229955	0	43	-1.0	-46.45	364.05	5.73	-40.72
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300017229956	0	43	-1.0	-50.04	363.74	5.40	-44.64
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017229957	0	33	-1.0	-53.69	323.65	3.65	-50.04
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C#N)C=CS1	REAL300017229958	0	32	-1.0	-49.87	304.27	4.96	-44.91
CCCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017229959	0	38	-1.0	-47.42	361.12	7.84	-39.58
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)C	REAL300017229960	0	40	-1.0	-47.55	341.16	4.95	-42.60
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1	REAL300017229961	0	42	-1.0	-46.87	362.83	4.95	-41.92
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300017229962	0	37	-1.0	-56.28	336.99	7.73	-48.55
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300017229963	0	41	-1.0	-45.99	341.41	5.72	-40.27
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017229964	0	41	-1.0	-52.40	353.91	6.76	-45.64
CCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(OC)=NO1	REAL300017229965	0	37	-1.0	-51.32	327.09	1.95	-49.37
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC2=CC=CN=C21	REAL300017229966	0	39	-1.0	-50.22	328.27	5.93	-44.29
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300017229967	0	43	-1.0	-51.90	363.36	5.48	-46.42
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017229968	0	41	-1.0	-49.89	355.90	7.81	-42.08
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017229969	0	36	-1.0	-48.49	323.40	4.66	-43.83
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300017229970	0	48	-1.0	-48.77	404.81	9.19	-39.58
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017229971	0	41	-1.0	-51.14	357.54	7.86	-43.28
CCCN(CCC(=O)[O-])C(=O)N1CCC(C(F)(F)F)CC1	REAL300017229972	0	41	-1.0	-53.67	322.98	8.09	-45.58
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017229973	0	38	-1.0	-53.54	343.59	6.01	-47.53
CCCN(CCC(=O)[O-])C(=O)N1CC=C(Br)CC1	REAL300017229974	0	36	-1.0	-51.56	299.15	7.59	-43.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017229975	0	37	-1.0	-51.93	330.72	6.49	-45.44
CCCN(CCC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300017229976	0	42	-1.0	-52.74	352.24	1.39	-51.35
CCCN(CCC(=O)[O-])S(=O)(=O)N1CC2CCC(C1)O2	REAL300017229977	0	41	-1.0	-47.51	327.70	3.76	-43.75
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C#N)CC1	REAL300017229978	0	40	-1.0	-52.13	333.20	5.04	-47.09
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017229980	0	41	-1.0	-53.93	352.99	8.00	-45.93
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl	REAL300017229981	0	37	-1.0	-49.31	343.06	7.38	-41.93
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017229982	0	38	-1.0	-47.56	340.87	5.26	-42.30
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017229983	0	41	-1.0	-50.59	360.79	6.58	-44.01
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300017229984	0	41	-1.0	-48.30	344.38	5.97	-42.33
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300017229985	0	40	-1.0	-46.94	357.68	3.97	-42.97
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300017229986	0	42	-1.0	-54.91	350.25	7.32	-47.59
CCCN(CCC(=O)[O-])C(=O)N1CC(OCC2=CC=CC=C2)C1	REAL300017229987	0	46	-1.0	-54.31	368.67	8.72	-45.59
CCCN(CCC(=O)[O-])C(=O)N1CC(NC(=O)OC(C)(C)C)C1	REAL300017229988	0	49	-1.0	-49.66	381.50	5.56	-44.10
CCCN(CCC(=O)[O-])C(=O)N1CCC(COC(C)=O)CC1	REAL300017229989	0	47	-1.0	-57.14	362.68	8.75	-48.39
CCCN(CCC(=O)[O-])C(=O)N1CCCC(C(=O)OC)C1	REAL300017229990	0	44	-1.0	-53.72	340.46	7.61	-46.11
CCCN(CCC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300017229991	0	37	-1.0	-47.82	325.37	5.19	-42.63
CCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(F)(F)C1	REAL300017229993	0	36	-1.0	-48.96	310.88	4.04	-44.92
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300017229994	0	47	-1.0	-52.68	380.81	7.76	-44.92
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300017229995	0	34	-1.0	-47.14	315.98	5.85	-41.29
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017229996	0	41	-1.0	-53.89	365.84	6.50	-47.39
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C2CCCCN2N=C1	REAL300017229997	0	41	-1.0	-48.40	336.45	4.79	-43.61
CC1=CC=C(CS(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1F	REAL300017239911	0	36	-1.0	-51.05	322.01	6.25	-44.80
N#CCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017239912	0	34	-1.0	-54.26	313.21	6.12	-48.14
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC(F)=C1F	REAL300017239913	0	36	-1.0	-50.50	337.08	5.54	-44.96
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC3=C4C(=C1)CC(=O)N4CCC3)C2	REAL300017239914	0	42	-1.0	-52.86	355.75	6.24	-46.62
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)N1CCC3(CCCCC3)CC1)C2	REAL300017239915	0	48	-1.0	-50.60	358.74	6.44	-44.16
CC1=NC2=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=CC=C2C=C1	REAL300017239916	0	38	-1.0	-58.95	330.70	6.37	-52.58
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C2	REAL300017239917	0	38	-1.0	-54.86	334.86	6.92	-47.94
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN(C3CCOCC3)N=C1)C2	REAL300017239918	0	41	-1.0	-50.78	348.63	3.33	-47.45
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239919	0	44	-1.0	-54.74	391.18	6.17	-48.57
N#CC1=CC(F)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1Br	REAL300017239920	0	31	-1.0	-47.73	315.60	5.97	-41.76
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1CCC(F)CC1)C2	REAL300017239921	0	39	-1.0	-50.30	319.87	6.16	-44.14
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1Cl	REAL300017239922	0	33	-1.0	-48.97	306.83	5.90	-43.07
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C3CCC(=O)C3=C1)C2	REAL300017239923	0	36	-1.0	-67.03	319.15	5.83	-61.20
CC1=CSC(C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2)=N1	REAL300017239924	0	39	-1.0	-50.69	356.44	6.48	-44.21
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1F	REAL300017239925	0	36	-1.0	-56.65	345.35	5.99	-50.66
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017239926	0	39	-1.0	-52.19	349.51	6.32	-45.87
CC1=C(Br)C=CC=C1CS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239927	0	36	-1.0	-48.21	328.90	6.63	-41.58
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=CC(F)=CC=C1Cl)C2	REAL300017239928	0	33	-1.0	-49.57	314.97	6.06	-43.51
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C2	REAL300017239929	0	30	-1.0	-47.20	309.49	5.93	-41.27
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017239930	0	37	-1.0	-55.06	326.23	2.45	-52.61
CCCCCCCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017239931	0	55	-1.0	-48.27	451.29	9.87	-38.40
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017239932	0	45	-1.0	-61.56	381.36	7.14	-54.42
CCC1CCN(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300017239933	0	41	-1.0	-50.34	328.86	5.22	-45.12
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CCC1=CC=C(F)C=C1)C2	REAL300017239934	0	36	-1.0	-49.25	323.06	6.40	-42.85
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CCC1=CC=CC=C1F)C2	REAL300017239935	0	36	-1.0	-50.79	320.78	6.55	-44.24
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CCC1=CC=CC=C1Cl)C2	REAL300017239936	0	36	-1.0	-50.10	329.08	6.93	-43.17
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239937	0	34	-1.0	-47.61	324.35	5.52	-42.09
COC1=CC2=C(C=C1S(=O)(=O)N1C[C@@H]3C[C@]3(C(=O)[O-])C1)C(=O)NCCC2	REAL300017239938	0	45	-1.0	-50.85	371.97	3.72	-47.13
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)S2)C1	REAL300017239939	0	41	-1.0	-55.85	361.79	5.26	-50.59
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300017239940	0	37	-1.0	-51.57	347.44	7.31	-44.26
COC1CCN(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300017239941	0	39	-1.0	-47.60	321.75	2.99	-44.61
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=CC(F)=CC=C1Br)C2	REAL300017239942	0	33	-1.0	-49.18	318.22	6.18	-43.00
CCC(C)OC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017239943	0	43	-1.0	-57.07	360.73	6.53	-50.54
CC(CC(F)(F)F)CS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239944	0	35	-1.0	-51.74	305.29	5.23	-46.51
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C([N+](=O)[O-])C3=CC=CN=C3C=C1)C2	REAL300017239945	0	37	-1.0	-53.49	337.93	6.67	-46.82
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=C2)=N1	REAL300017239946	0	42	-1.0	-49.56	351.22	4.21	-45.35
COC1=CC(F)=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239947	0	34	-1.0	-57.73	304.36	4.71	-53.02
COC(=O)C1=C(C)C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)O1	REAL300017239948	0	36	-1.0	-50.86	327.65	4.38	-46.48
CCC1=NC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CN1CC1CC1	REAL300017239949	0	43	-1.0	-57.25	368.64	6.97	-50.28
CC(=O)N1CC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2C1	REAL300017239950	0	41	-1.0	-57.59	354.69	5.44	-52.15
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN=C(C3CC3)S1)C2	REAL300017239951	0	33	-1.0	-48.17	309.47	4.47	-43.70
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN=C3NC=C(Br)C=C13)C2	REAL300017239952	0	33	-1.0	-65.54	319.76	4.64	-60.90
CCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(C)C	REAL300017239953	0	49	-1.0	-47.68	402.34	8.02	-39.66
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300017239954	0	38	-1.0	-51.78	325.89	6.98	-44.80
CN1N=CC(C2CC2)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239955	0	37	-1.0	-46.73	315.59	4.78	-41.95
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C2	REAL300017239956	0	43	-1.0	-55.77	371.27	7.15	-48.62
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(OCC3=CC=CC=C3)C(F)=C1)C2	REAL300017239957	0	44	-1.0	-50.70	388.84	8.15	-42.55
COC(CS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300017239958	0	40	-1.0	-51.07	354.28	5.54	-45.53
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC3=C4C(=C1)CCC(=O)N4CC3)C2	REAL300017239959	0	42	-1.0	-51.80	355.13	6.40	-45.40
COC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1Cl	REAL300017239960	0	38	-1.0	-50.63	353.24	3.70	-46.93
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=CC=C12	REAL300017239961	0	42	-1.0	-55.79	356.90	7.40	-48.39
COC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C	REAL300017239962	0	41	-1.0	-51.89	356.09	3.89	-48.00
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1(C(F)F)CCCC1)C2	REAL300017239963	0	39	-1.0	-48.58	318.92	6.25	-42.33
CCOC1(CS(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCOCC1	REAL300017239964	0	44	-1.0	-51.35	347.65	3.77	-47.58
CCOC(CS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1CC1	REAL300017239965	0	40	-1.0	-51.55	335.18	5.47	-46.08
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1F	REAL300017239966	0	36	-1.0	-56.82	335.03	5.54	-51.28
CC(=O)N1CCC2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=C(Cl)C=C21	REAL300017239967	0	41	-1.0	-61.32	355.99	6.30	-55.02
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239968	0	33	-1.0	-49.04	311.86	3.44	-45.60
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(SC3=CC=CC=C3)=C1)C2	REAL300017239969	0	41	-1.0	-48.57	371.49	9.06	-39.51
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239970	0	33	-1.0	-44.27	304.39	6.07	-38.20
CC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1Br	REAL300017239971	0	33	-1.0	-51.86	297.75	5.95	-45.91
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239972	0	36	-1.0	-52.92	329.33	5.81	-47.11
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN(C3CCOC3)N=C1)C2	REAL300017239973	0	38	-1.0	-50.65	328.41	2.76	-47.89
COC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017239974	0	34	-1.0	-50.87	322.25	4.72	-46.15
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017239975	0	36	-1.0	-51.88	326.88	5.54	-46.34
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239976	0	36	-1.0	-46.20	316.36	6.44	-39.76
COCCN1C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=N1	REAL300017239977	0	37	-1.0	-51.73	329.96	2.62	-49.11
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239978	0	43	-1.0	-50.74	361.37	6.32	-44.42
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C2	REAL300017239979	0	37	-1.0	-53.76	335.31	5.49	-48.27
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1C	REAL300017239980	0	57	-1.0	-55.45	458.02	9.34	-46.11
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C2	REAL300017239981	0	38	-1.0	-51.50	344.86	7.00	-44.50
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(F)C(Br)=C1)C2	REAL300017239982	0	30	-1.0	-46.46	298.36	5.46	-41.00
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=CC=C(F)C=C1F)C2	REAL300017239983	0	33	-1.0	-47.27	307.02	5.64	-41.63
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C3CCS(=O)(=O)C3=C1)C2	REAL300017239984	0	37	-1.0	-60.77	334.91	2.87	-57.90
CCN1C(=O)OC2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC=C21	REAL300017239985	0	39	-1.0	-51.24	346.23	5.97	-45.27
CC1=C(Br)C=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239986	0	33	-1.0	-47.80	295.47	5.94	-41.86
COCC1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239987	0	37	-1.0	-48.11	309.60	4.62	-43.49
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1Br	REAL300017239988	0	34	-1.0	-49.75	321.27	4.77	-44.98
CS(=O)(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(Cl)S1	REAL300017239989	0	33	-1.0	-54.31	335.69	1.99	-52.32
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C2	REAL300017239990	0	33	-1.0	-54.83	314.17	4.07	-50.76
CC1(C)CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC=C2O1	REAL300017239991	0	41	-1.0	-49.43	348.70	6.19	-43.24
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1F	REAL300017239992	0	38	-1.0	-49.86	350.32	1.57	-48.29
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1F	REAL300017239993	0	41	-1.0	-49.21	371.79	2.47	-46.74
CCC(=O)NCC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1OC	REAL300017239994	0	47	-1.0	-53.08	401.78	4.13	-48.95
CCC1=CC=C(CS(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017239995	0	39	-1.0	-51.14	336.31	7.19	-43.95
COC1=CC=C(Br)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017239996	0	34	-1.0	-50.98	308.93	4.69	-46.29
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(OCC3CCOC3)C(F)=C1)C2	REAL300017239997	0	45	-1.0	-56.33	385.10	5.24	-51.09
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017239998	0	39	-1.0	-54.59	353.04	3.38	-51.21
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C3N=C(Cl)SC3=C1)C2	REAL300017239999	0	32	-1.0	-49.81	319.77	4.70	-45.11
CC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1Br	REAL300017240000	0	35	-1.0	-55.83	327.48	5.88	-49.95
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(C(F)F)=C1)C2	REAL300017240206	0	33	-1.0	-51.29	303.07	5.83	-45.46
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C2	REAL300017240207	0	33	-1.0	-45.86	325.77	6.52	-39.34
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C2	REAL300017240208	0	33	-1.0	-49.48	313.18	6.03	-43.45
CC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240209	0	33	-1.0	-48.81	313.01	6.29	-42.52
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240210	0	41	-1.0	-56.97	350.11	3.53	-53.44
CSC1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240211	0	34	-1.0	-61.31	300.69	5.57	-55.74
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240212	0	41	-1.0	-63.02	354.92	5.04	-57.98
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C2	REAL300017240213	0	42	-1.0	-64.27	363.75	4.30	-59.97
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C2	REAL300017240214	0	36	-1.0	-50.10	350.67	3.14	-46.96
COC1=C(F)C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017240215	0	36	-1.0	-47.18	333.82	5.84	-41.34
COC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017240216	0	40	-1.0	-48.91	361.41	4.27	-44.64
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C1)C2	REAL300017240217	0	41	-1.0	-63.85	369.84	6.80	-57.05
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(OC)=C1	REAL300017240218	0	40	-1.0	-50.03	349.10	5.42	-44.61
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240219	0	33	-1.0	-44.24	304.37	6.09	-38.15
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017240220	0	38	-1.0	-46.40	319.04	6.52	-39.88
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=CC=CC3=CC=CN=C31)C2	REAL300017240221	0	38	-1.0	-57.97	333.23	6.24	-51.73
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1CCS(=O)(=O)CC1)C2	REAL300017240222	0	36	-1.0	-55.43	309.74	1.12	-54.31
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC=C21	REAL300017240223	0	40	-1.0	-55.90	351.28	5.72	-50.18
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(N3C=NN=N3)C=C1)C2	REAL300017240224	0	35	-1.0	-51.18	319.75	4.97	-46.21
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(F)=C1	REAL300017240225	0	34	-1.0	-50.12	307.79	4.59	-45.53
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C)=C1	REAL300017240226	0	40	-1.0	-58.12	330.03	5.50	-52.62
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240227	0	38	-1.0	-52.59	347.49	1.13	-51.46
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240228	0	39	-1.0	-57.43	333.66	6.55	-50.88
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC=C1OC(F)F)C2	REAL300017240229	0	34	-1.0	-60.09	307.73	4.90	-55.19
CSC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240230	0	34	-1.0	-48.73	311.15	5.96	-42.77
CCCOC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240231	0	42	-1.0	-49.53	369.09	7.32	-42.21
CCC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240232	0	40	-1.0	-55.76	347.61	4.65	-51.11
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C2	REAL300017240233	0	36	-1.0	-64.34	332.96	6.57	-57.77
CCN(CC1=CC=CC=C1)S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240234	0	41	-1.0	-49.36	342.39	6.76	-42.60
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(Cl)N=C1Cl)C2	REAL300017240235	0	29	-1.0	-50.23	289.05	3.82	-46.41
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC3=C1OCCO3)C2	REAL300017240236	0	36	-1.0	-50.50	304.43	4.29	-46.21
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC3=NC=CC=C31)C2	REAL300017240237	0	35	-1.0	-58.71	300.71	4.93	-53.78
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC3=CC=C(OC(F)F)C=C3CC1)C2	REAL300017240238	0	42	-1.0	-50.85	363.50	6.91	-43.94
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(F)=C1F)C2	REAL300017240239	0	30	-1.0	-54.83	281.43	5.14	-49.69
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Br)=CC=C1F)C2	REAL300017240240	0	30	-1.0	-50.25	295.11	5.38	-44.87
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017240241	0	36	-1.0	-53.12	325.78	6.32	-46.80
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CSC(C3=CC=C(F)C=C3)=N1)C2	REAL300017240242	0	36	-1.0	-56.26	344.32	5.54	-50.72
CC1=NN(C)C2=NC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C12	REAL300017240243	0	38	-1.0	-52.85	337.78	4.52	-48.33
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=CC=C(Br)C=C1F)C2	REAL300017240244	0	33	-1.0	-47.23	321.91	6.19	-41.04
CC1=NOC2=NC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C12	REAL300017240245	0	34	-1.0	-57.64	311.24	1.77	-55.87
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(CCCCl)C=C1)C2	REAL300017240246	0	39	-1.0	-49.78	352.50	7.79	-41.99
COCC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240247	0	37	-1.0	-51.14	325.95	4.68	-46.46
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C2	REAL300017240248	0	32	-1.0	-48.35	307.76	6.05	-42.30
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300017240249	0	39	-1.0	-59.02	369.36	6.01	-53.01
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240250	0	36	-1.0	-55.93	322.36	6.82	-49.11
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=CC=CC=C1Cl)C2	REAL300017240251	0	33	-1.0	-52.60	308.79	5.97	-46.63
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(N3CCCS3(=O)=O)C=C1)C2	REAL300017240252	0	42	-1.0	-64.74	368.10	3.30	-61.44
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C2	REAL300017240253	0	37	-1.0	-50.96	340.57	5.47	-45.49
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Br)=CC=C1Cl)C2	REAL300017240254	0	30	-1.0	-47.31	299.66	5.78	-41.53
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CN=C21	REAL300017240255	0	38	-1.0	-49.29	340.72	2.26	-47.03
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1F	REAL300017240288	0	39	-1.0	-50.13	352.55	6.40	-43.73
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC3=C(C=C1[N+](=O)[O-])OCCO3)C2	REAL300017240289	0	38	-1.0	-69.58	335.09	5.91	-63.67
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(F)=CC=C1Cl)C2	REAL300017240290	0	30	-1.0	-47.76	284.75	5.22	-42.54
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240291	0	49	-1.0	-55.50	372.68	7.43	-48.07
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C2	REAL300017240292	0	33	-1.0	-50.94	320.86	6.63	-44.31
N#CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300017240293	0	31	-1.0	-50.28	297.77	5.67	-44.61
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1Cl	REAL300017240294	0	37	-1.0	-55.44	345.30	4.60	-50.84
CC1CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC=C2O1	REAL300017240295	0	38	-1.0	-57.86	327.91	5.44	-52.42
COC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1Cl	REAL300017240296	0	34	-1.0	-48.50	323.81	5.02	-43.48
CCC1=CC=CC(CC)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240297	0	42	-1.0	-55.20	321.31	7.84	-47.36
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240298	0	42	-1.0	-52.26	349.28	3.52	-48.74
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CS1	REAL300017240299	0	33	-1.0	-49.27	318.77	4.47	-44.80
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240300	0	39	-1.0	-55.98	356.54	7.90	-48.08
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(OC3=CC=CC(Cl)=C3)C=C1)C2	REAL300017240301	0	41	-1.0	-48.34	375.06	8.37	-39.97
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CSC(C3=CC=CC=C3)=N1)C2	REAL300017240302	0	36	-1.0	-50.49	336.94	5.74	-44.75
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CSC(C3=CC=C(Cl)C=C3)=N1)C2	REAL300017240303	0	36	-1.0	-56.25	354.64	5.99	-50.26
COC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1C	REAL300017240304	0	39	-1.0	-53.60	326.95	5.94	-47.66
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C2	REAL300017240305	0	32	-1.0	-48.46	319.82	6.31	-42.15
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240306	0	34	-1.0	-46.95	322.70	5.62	-41.33
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240307	0	42	-1.0	-56.73	349.45	5.44	-51.29
CCOC(=O)N1CCC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300017240308	0	44	-1.0	-49.23	361.52	4.71	-44.52
CC1=NC(C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2)=CO1	REAL300017240309	0	39	-1.0	-52.31	346.60	4.08	-48.23
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C2	REAL300017240310	0	29	-1.0	-48.57	298.58	3.87	-44.70
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC3=CC=CC=C3O1)C2	REAL300017240311	0	33	-1.0	-52.94	299.97	5.40	-47.54
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C3OCOC3=C1)C2	REAL300017240312	0	33	-1.0	-51.13	296.35	3.67	-47.46
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C3OCCCC3=C1)C2	REAL300017240313	0	38	-1.0	-52.61	325.18	5.42	-47.19
COC1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240314	0	34	-1.0	-51.23	307.21	4.63	-46.60
COC(=O)C1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300017240315	0	39	-1.0	-55.28	355.31	7.59	-47.69
COC(=O)CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240316	0	39	-1.0	-52.97	347.91	6.39	-46.58
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1CC3=CC=CC=C3C1)C2	REAL300017240317	0	37	-1.0	-50.61	315.57	6.90	-43.71
CC1=CC=C(N2C=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=N2)C=C1	REAL300017240318	0	40	-1.0	-57.30	353.46	6.58	-50.72
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)[C@@H]1CCN(C(=O)OCC3=CC=CC=C3)C1)C2	REAL300017240319	0	48	-1.0	-68.08	408.82	6.97	-61.11
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)[C@H]1CCN(C(=O)OCC3=CC=CC=C3)C1)C2	REAL300017240320	0	48	-1.0	-63.54	410.29	6.92	-56.62
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1CN(C(=O)OCC3=CC=CC=C3)C1)C2	REAL300017240321	0	45	-1.0	-53.05	394.05	6.38	-46.67
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)S1	REAL300017240322	0	32	-1.0	-47.13	309.61	5.12	-42.01
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C21	REAL300017240323	0	41	-1.0	-70.51	350.28	5.82	-64.69
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(Cl)=C1Br)C2	REAL300017240324	0	30	-1.0	-51.98	294.30	5.84	-46.14
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C2	REAL300017240325	0	30	-1.0	-46.45	307.49	5.88	-40.57
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240326	0	40	-1.0	-62.94	328.41	6.36	-56.58
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1C#N	REAL300017240327	0	34	-1.0	-49.00	311.33	5.69	-43.31
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1F	REAL300017240328	0	36	-1.0	-50.04	330.67	5.48	-44.56
COC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240329	0	34	-1.0	-45.88	312.68	5.17	-40.71
COC1=CC=C(C)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240330	0	37	-1.0	-48.65	306.85	4.72	-43.93
N#CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1Br	REAL300017240331	0	31	-1.0	-50.55	311.85	5.70	-44.85
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1Cl	REAL300017240332	0	37	-1.0	-46.77	322.85	5.27	-41.50
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)S1	REAL300017240333	0	36	-1.0	-46.16	349.71	5.69	-40.47
CC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1F	REAL300017240334	0	37	-1.0	-57.86	332.55	3.81	-54.05
COC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1OC	REAL300017240335	0	38	-1.0	-50.51	336.47	4.54	-45.97
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C2	REAL300017240336	0	34	-1.0	-58.15	316.17	4.50	-53.65
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C2	REAL300017240337	0	33	-1.0	-53.78	315.03	5.92	-47.86
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C	REAL300017240338	0	41	-1.0	-58.19	362.71	1.88	-56.31
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC=C2S1	REAL300017240339	0	42	-1.0	-50.72	386.13	7.84	-42.88
N#CCC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240340	0	34	-1.0	-57.21	313.13	6.13	-51.08
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(Br)=C1	REAL300017240341	0	34	-1.0	-50.93	308.23	4.63	-46.30
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=N1	REAL300017240342	0	35	-1.0	-65.05	328.27	0.40	-64.65
CC1=CC2=C(C=C1S(=O)(=O)N1C[C@@H]3C[C@]3(C(=O)[O-])C1)OCO2	REAL300017240343	0	36	-1.0	-48.18	304.14	4.16	-44.02
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240344	0	36	-1.0	-61.75	317.78	6.00	-55.75
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(Cl)C=C1Cl)C2	REAL300017240345	0	30	-1.0	-48.39	293.78	5.80	-42.59
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240346	0	36	-1.0	-45.29	300.53	6.44	-38.85
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Cl)=CC=C1Br)C2	REAL300017240347	0	30	-1.0	-47.08	297.47	5.78	-41.30
COC1=CC2=C(C=C1S(=O)(=O)N1C[C@@H]3C[C@]3(C(=O)[O-])C1)OCC(=O)N2	REAL300017240348	0	40	-1.0	-48.78	346.55	1.88	-46.90
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC3=NSN=C31)C2	REAL300017240349	0	31	-1.0	-50.68	292.74	3.24	-47.44
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(Br)=C1F)C2	REAL300017240350	0	30	-1.0	-53.29	295.74	5.68	-47.61
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1OC	REAL300017240351	0	40	-1.0	-52.94	353.43	5.51	-47.43
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240352	0	34	-1.0	-52.49	322.75	2.08	-50.41
CCOC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240353	0	37	-1.0	-58.52	322.06	5.08	-53.44
CC1(C)CC2=CC=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=C2O1	REAL300017240354	0	41	-1.0	-54.69	347.46	6.21	-48.48
N#CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300017240355	0	34	-1.0	-46.46	328.02	5.98	-40.48
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240393	0	31	-1.0	-49.75	298.25	5.36	-44.39
CC1=CC=C(C#N)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240394	0	34	-1.0	-48.10	298.11	5.81	-42.29
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300017240395	0	44	-1.0	-56.96	373.15	4.56	-52.40
CC1CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300017240396	0	38	-1.0	-50.40	345.04	5.89	-44.51
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017240397	0	35	-1.0	-49.31	318.28	6.10	-43.21
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300017240398	0	44	-1.0	-46.59	385.19	7.62	-38.97
CC1=CC=C(Br)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240399	0	33	-1.0	-51.11	300.95	6.05	-45.06
COC(=O)C1=COC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240400	0	33	-1.0	-51.37	310.09	3.75	-47.62
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=N1	REAL300017240401	0	41	-1.0	-61.71	359.23	5.54	-56.17
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN=C3C=CSC3=C1)C2	REAL300017240402	0	32	-1.0	-55.03	303.47	4.27	-50.76
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240403	0	40	-1.0	-53.55	338.33	5.16	-48.39
COC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)SC=C1	REAL300017240404	0	31	-1.0	-52.39	293.66	3.14	-49.25
CC(=O)NC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1C	REAL300017240405	0	40	-1.0	-65.96	344.31	4.61	-61.35
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CCCC(F)(F)F)C2	REAL300017240406	0	32	-1.0	-47.48	296.36	4.47	-43.01
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=NOC3=CC=CC=C31)C2	REAL300017240407	0	35	-1.0	-53.98	317.31	5.07	-48.91
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C3NC(=O)COC3=CC=C1)C2	REAL300017240408	0	36	-1.0	-50.14	312.84	2.52	-47.62
CN1CCCC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C21	REAL300017240409	0	42	-1.0	-51.68	345.84	5.35	-46.33
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C2	REAL300017240410	0	32	-1.0	-47.05	305.70	4.33	-42.72
CC1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240411	0	33	-1.0	-51.34	299.24	6.00	-45.34
COC1=CC=CC(OC)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240412	0	38	-1.0	-64.89	322.97	5.33	-59.56
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CN=C1Cl	REAL300017240413	0	32	-1.0	-52.33	302.14	4.01	-48.32
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C3NC(=O)C=CC3=C1)C2	REAL300017240414	0	36	-1.0	-52.60	321.59	4.07	-48.53
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C2	REAL300017240415	0	29	-1.0	-54.38	292.66	4.56	-49.82
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)S1	REAL300017240416	0	39	-1.0	-47.27	344.27	6.60	-40.67
CC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1C#N	REAL300017240417	0	34	-1.0	-60.10	301.45	5.60	-54.50
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC(OC)=C1	REAL300017240418	0	38	-1.0	-50.77	329.86	3.58	-47.19
N#CC1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240419	0	31	-1.0	-48.01	299.11	5.55	-42.46
CN1C=NC2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC=C21	REAL300017240420	0	36	-1.0	-63.10	319.76	6.14	-56.96
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017240421	0	38	-1.0	-65.02	321.78	6.50	-58.52
CCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1CC	REAL300017240422	0	42	-1.0	-48.32	347.92	7.54	-40.78
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240423	0	38	-1.0	-53.24	327.35	7.12	-46.12
CC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1Cl	REAL300017240424	0	33	-1.0	-52.07	296.57	5.92	-46.15
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(C)O1	REAL300017240425	0	36	-1.0	-46.11	321.82	4.00	-42.11
CC1=C(C)SC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240426	0	33	-1.0	-49.90	302.72	5.42	-44.48
NC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240427	0	31	-1.0	-49.71	288.41	2.70	-47.01
CCC1=NC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)S1	REAL300017240428	0	32	-1.0	-47.96	299.74	3.55	-44.41
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C2	REAL300017240429	0	36	-1.0	-54.81	306.78	6.54	-48.27
COC(=O)C1=NSC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240430	0	32	-1.0	-55.89	295.79	3.28	-52.61
COC(=O)C1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)SC=N1	REAL300017240431	0	32	-1.0	-55.47	307.55	3.50	-51.97
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC(C)=C1F	REAL300017240432	0	36	-1.0	-55.32	318.26	6.17	-49.15
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C3CCNC(=O)C3=C1)C2	REAL300017240433	0	38	-1.0	-61.77	329.79	3.47	-58.30
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)N1CCC3(CC1)OCCO3)C2	REAL300017240434	0	41	-1.0	-50.80	335.23	2.85	-47.95
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CN1C	REAL300017240435	0	37	-1.0	-52.00	331.38	5.11	-46.89
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN=CC(Cl)=C1)C2	REAL300017240436	0	29	-1.0	-48.64	283.24	3.49	-45.15
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240437	0	41	-1.0	-51.85	353.41	6.77	-45.08
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=CC(Cl)=CC=C1F)C2	REAL300017240438	0	33	-1.0	-51.17	317.19	6.09	-45.08
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C2	REAL300017240439	0	33	-1.0	-46.57	317.88	6.10	-40.47
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(F)C=CC=C1Cl)C2	REAL300017240440	0	30	-1.0	-52.40	286.57	5.85	-46.55
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CN=C1Cl	REAL300017240441	0	33	-1.0	-52.47	312.35	2.76	-49.71
N#CC1=CC=C(F)C(CS(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240442	0	34	-1.0	-52.39	321.31	5.97	-46.42
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=N1	REAL300017240443	0	35	-1.0	-50.96	322.22	3.62	-47.34
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C2	REAL300017240444	0	29	-1.0	-49.30	288.23	4.36	-44.94
COCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240445	0	37	-1.0	-49.03	326.03	4.67	-44.36
COC1=CC(C#N)=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240446	0	35	-1.0	-49.61	315.15	5.14	-44.47
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240447	0	36	-1.0	-53.71	342.97	5.96	-47.75
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC3=C(C=C1Cl)NC(=O)O3)C2	REAL300017240448	0	33	-1.0	-57.84	309.23	2.61	-55.23
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=N1	REAL300017240449	0	36	-1.0	-50.05	320.52	2.41	-47.64
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240450	0	39	-1.0	-59.98	355.99	3.15	-56.83
CC(=O)NC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1F	REAL300017240451	0	37	-1.0	-53.39	332.56	3.81	-49.58
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C21	REAL300017240452	0	44	-1.0	-62.33	362.96	6.39	-55.94
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC3=C1OCO3)C2	REAL300017240453	0	33	-1.0	-53.39	296.33	3.61	-49.78
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240454	0	36	-1.0	-55.97	317.79	6.30	-49.67
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240455	0	40	-1.0	-55.97	356.64	2.18	-53.79
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2CC1	REAL300017240456	0	47	-1.0	-55.78	384.65	6.75	-49.03
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017240457	0	39	-1.0	-56.49	356.29	6.25	-50.24
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240458	0	39	-1.0	-50.44	337.98	7.26	-43.18
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CSC3=CC=CC=C31)C2	REAL300017240459	0	33	-1.0	-50.12	303.75	6.25	-43.87
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C2	REAL300017240460	0	33	-1.0	-49.15	314.89	6.96	-42.19
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240461	0	44	-1.0	-63.74	382.91	3.00	-60.74
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240462	0	43	-1.0	-48.08	372.48	6.23	-41.85
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1C	REAL300017240463	0	42	-1.0	-49.90	364.05	6.91	-42.99
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240464	0	42	-1.0	-55.35	369.70	7.33	-48.02
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1OC	REAL300017240465	0	41	-1.0	-55.84	362.23	4.77	-51.07
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(F)C=C1C	REAL300017240466	0	42	-1.0	-49.86	367.79	7.19	-42.67
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CCC1=CC=CC(Cl)=C1)C2	REAL300017240467	0	36	-1.0	-49.90	332.80	6.96	-42.94
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240468	0	39	-1.0	-51.74	350.37	6.33	-45.41
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(C3=CC=CC=C3)=C1)C2	REAL300017240469	0	40	-1.0	-51.63	345.10	8.39	-43.24
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240470	0	44	-1.0	-52.73	390.11	2.74	-49.99
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=CC=CC=C1Br)C2	REAL300017240471	0	33	-1.0	-52.27	312.02	6.10	-46.17
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CN1C	REAL300017240472	0	42	-1.0	-50.93	373.50	6.00	-44.93
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C2	REAL300017240473	0	34	-1.0	-51.94	319.10	5.67	-46.27
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(C(F)F)C=C1)C2	REAL300017240474	0	33	-1.0	-50.81	305.13	5.87	-44.94
CC1=NC(Cl)=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240475	0	32	-1.0	-47.58	290.33	4.11	-43.47
CC1=NC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(Br)N1C	REAL300017240476	0	33	-1.0	-59.02	312.11	4.23	-54.79
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C2	REAL300017240477	0	31	-1.0	-47.60	294.87	3.65	-43.95
COC(=O)C(C)(C)CS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240478	0	38	-1.0	-50.21	319.29	5.02	-45.19
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240479	0	43	-1.0	-65.41	364.66	5.72	-59.69
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(F)=C1	REAL300017240480	0	36	-1.0	-53.13	329.15	5.69	-47.44
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240481	0	41	-1.0	-56.89	366.06	4.17	-52.72
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300017240482	0	45	-1.0	-50.21	384.30	7.62	-42.59
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240483	0	42	-1.0	-54.91	374.62	4.16	-50.75
COC(=O)C1(CS(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCCC1	REAL300017240484	0	42	-1.0	-56.36	341.70	6.73	-49.63
COCC1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240485	0	37	-1.0	-48.03	342.11	5.23	-42.80
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300017240486	0	36	-1.0	-48.67	325.78	6.31	-42.36
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(OC3=CC=C(Cl)C=C3)C=C1)C2	REAL300017240487	0	41	-1.0	-47.94	376.37	8.31	-39.63
COC(=O)CC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240488	0	39	-1.0	-55.31	347.84	6.40	-48.91
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CCC1=CC=CC=C1Br)C2	REAL300017240489	0	36	-1.0	-49.93	332.55	6.99	-42.94
COC(=O)C1(CS(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCC1	REAL300017240490	0	39	-1.0	-55.17	332.48	5.43	-49.74
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(C(F)(F)F)S1)C2	REAL300017240491	0	30	-1.0	-48.07	303.09	5.25	-42.82
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240492	0	43	-1.0	-51.11	380.16	5.38	-45.73
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240493	0	46	-1.0	-50.75	402.02	6.30	-44.45
COC(=O)C1(CS(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCCCC1	REAL300017240494	0	45	-1.0	-65.58	352.48	6.95	-58.63
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240495	0	38	-1.0	-51.82	341.97	5.79	-46.03
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=N1	REAL300017240496	0	32	-1.0	-57.08	295.05	4.00	-53.08
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CNC3=CC=CC=C31)C2	REAL300017240497	0	34	-1.0	-57.34	301.73	4.64	-52.70
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1C[C@@H]3C[C@]3(C(=O)[O-])C1)=C2	REAL300017240498	0	43	-1.0	-59.68	371.29	8.63	-51.05
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=CC=CC(Cl)=C1Br)C2	REAL300017240499	0	33	-1.0	-50.70	325.63	6.77	-43.93
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=CC=CC(F)=C1Br)C2	REAL300017240500	0	33	-1.0	-51.30	316.51	6.36	-44.94
COC1=CC=C(Br)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1F	REAL300017240501	0	34	-1.0	-53.53	317.74	5.13	-48.40
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240502	0	40	-1.0	-48.07	346.02	7.12	-40.95
CC(C)(CCS(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1CC1	REAL300017240503	0	42	-1.0	-49.56	334.34	6.45	-43.11
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C=CC1=CC=CC=C1Cl)C2	REAL300017240504	0	34	-1.0	-50.41	317.02	6.57	-43.84
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CCCC1=CC=CC=C1)C2	REAL300017240505	0	39	-1.0	-48.92	338.14	7.11	-41.81
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300017240507	0	34	-1.0	-46.47	302.91	0.18	-46.29
CCCC1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240511	0	39	-1.0	-49.10	318.85	7.09	-42.01
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CC1=NOC3=C1CCCC3)C2	REAL300017240512	0	39	-1.0	-51.61	333.53	5.55	-46.06
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CSC=C1C(F)F)C2	REAL300017240513	0	30	-1.0	-49.16	287.76	5.00	-44.16
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)CCC1=CC=CC(F)=C1)C2	REAL300017240514	0	36	-1.0	-50.44	322.48	6.52	-43.92
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240515	0	46	-1.0	-51.66	387.76	7.65	-44.01
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC3=CC=NC=C31)C2	REAL300017240516	0	35	-1.0	-54.14	301.94	5.10	-49.04
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC=C21	REAL300017240517	0	50	-1.0	-58.49	397.82	7.44	-51.05
COC(=O)C1=CN(C)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240518	0	37	-1.0	-50.68	330.14	5.23	-45.45
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C21	REAL300017240519	0	44	-1.0	-52.71	366.90	4.88	-47.83
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C3CCN(C(=O)C4CC4)C3=C1)C2	REAL300017240520	0	45	-1.0	-60.60	382.15	7.45	-53.15
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C21	REAL300017240521	0	44	-1.0	-70.80	372.28	6.73	-64.07
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN(C3CCC3)N=C1)C2	REAL300017240522	0	37	-1.0	-55.78	321.35	4.47	-51.31
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=NN1C1CCC1)C2	REAL300017240523	0	37	-1.0	-47.48	317.11	4.91	-42.57
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=NN1CC1CCC1)C2	REAL300017240524	0	40	-1.0	-53.61	335.04	5.25	-48.36
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN=C(C3=CC=CC=C3)S1)C2	REAL300017240532	0	36	-1.0	-49.65	336.56	5.87	-43.78
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C3NC(=O)COC3=C1)C2	REAL300017240533	0	36	-1.0	-52.79	322.09	2.02	-50.77
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(Br)C=CO1)C2	REAL300017240534	0	27	-1.0	-56.61	270.82	3.55	-53.06
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN=C3CCCCN13)C2	REAL300017240535	0	37	-1.0	-51.50	311.72	5.12	-46.38
COC1=C(F)C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1F	REAL300017240536	0	34	-1.0	-47.20	316.76	4.51	-42.69
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1F	REAL300017240537	0	34	-1.0	-50.08	309.46	4.13	-45.95
CCCCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(C)C	REAL300017240538	0	55	-1.0	-47.55	445.34	9.57	-37.98
COC1=CC(C(C)C)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C	REAL300017240539	0	46	-1.0	-53.17	374.73	6.91	-46.26
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240540	0	40	-1.0	-51.00	342.48	6.21	-44.79
CCOCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(C)C	REAL300017240541	0	53	-1.0	-58.76	436.14	7.33	-51.43
CC1=CSC(C)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240542	0	33	-1.0	-54.76	293.97	5.54	-49.22
CC1CC2=CC=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=C2O1	REAL300017240543	0	38	-1.0	-62.01	328.37	5.43	-56.58
CC(C)(C)C1=NC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)S1	REAL300017240544	0	38	-1.0	-47.94	338.40	4.63	-43.31
N#CC1(C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2)CC1	REAL300017240545	0	38	-1.0	-49.71	339.73	7.01	-42.70
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240546	0	34	-1.0	-50.63	308.61	5.58	-45.05
CC1=C(Br)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(C)S1	REAL300017240547	0	33	-1.0	-55.09	314.97	6.22	-48.87
CC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(Br)=C1	REAL300017240548	0	33	-1.0	-49.09	318.41	7.11	-41.98
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C21	REAL300017240549	0	47	-1.0	-63.76	380.84	7.05	-56.71
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(Cl)C=CC3=C1OCCO3)C2	REAL300017240550	0	36	-1.0	-51.48	323.60	5.56	-45.92
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C21	REAL300017240551	0	44	-1.0	-60.41	371.06	6.43	-53.98
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CSC=C1Cl)C2	REAL300017240552	0	27	-1.0	-50.23	271.20	4.25	-45.98
CN1N=C(Br)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240553	0	30	-1.0	-51.39	292.42	2.96	-48.43
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C2	REAL300017240554	0	32	-1.0	-48.46	305.63	3.98	-44.48
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240555	0	35	-1.0	-58.30	311.56	4.58	-53.72
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)N1C[C@@H]3CCC[C@@H]3C1)C2	REAL300017240556	0	39	-1.0	-57.45	315.55	4.77	-52.68
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CNC3=CC(Br)=CC=C31)C2	REAL300017240557	0	34	-1.0	-55.43	322.98	5.24	-50.19
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC3=NON=C3C=C1)C2	REAL300017240558	0	31	-1.0	-51.19	286.34	3.58	-47.61
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC3=CC=CC=C3S1)C2	REAL300017240559	0	33	-1.0	-51.61	309.35	6.48	-45.13
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CNC3=C(Br)C=CC=C13)C2	REAL300017240560	0	34	-1.0	-51.71	325.42	5.60	-46.11
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN=C3NC=C(Cl)C=C13)C2	REAL300017240561	0	33	-1.0	-66.18	315.20	4.54	-61.64
CN1N=C(C2CC2)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240562	0	37	-1.0	-53.10	322.43	4.56	-48.54
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C)=C1F	REAL300017240563	0	39	-1.0	-48.29	318.90	7.09	-41.20
COC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1OC	REAL300017240564	0	38	-1.0	-57.78	323.11	4.66	-53.12
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C3OCCNC(=O)C3=C1)C2	REAL300017240565	0	39	-1.0	-67.78	339.68	2.02	-65.76
N#CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1Br	REAL300017240566	0	31	-1.0	-57.79	311.22	5.76	-52.03
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=COC3=CC=CC=C31)C2	REAL300017240567	0	33	-1.0	-53.50	297.97	4.96	-48.54
COC1=CC=C(F)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1OC	REAL300017240568	0	38	-1.0	-52.78	331.62	5.25	-47.53
COC(=O)C1=C(Br)OC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240569	0	33	-1.0	-49.05	328.85	4.38	-44.67
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(I)S1)C2	REAL300017240570	0	27	-1.0	-47.82	290.68	5.24	-42.58
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300017240571	0	43	-1.0	-49.68	348.95	5.45	-44.23
N#CC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300017240572	0	34	-1.0	-53.43	321.73	6.90	-46.53
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300017240574	0	37	-1.0	-51.47	324.76	4.91	-46.56
O=C([O-])[C@]12C[C@H]1CN(C(=O)CC1=C(Cl)C=CC=C1Cl)C2	REAL300017240575	0	32	-1.0	-57.42	302.42	8.75	-48.67
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(OC(F)F)C=C1)C2	REAL300017240576	0	34	-1.0	-49.56	310.20	4.52	-45.04
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CNC3=CC=C(Br)C=C31)C2	REAL300017240577	0	34	-1.0	-56.42	323.08	5.25	-51.17
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(F)C=CC3=C1OCO3)C2	REAL300017240578	0	33	-1.0	-62.86	299.73	4.04	-58.82
CN1N=NC2=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=CC=C21	REAL300017240579	0	35	-1.0	-55.97	312.71	3.33	-52.64
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1Br	REAL300017240581	0	36	-1.0	-50.01	317.59	6.46	-43.55
CC1(C)CCCN(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	REAL300017240582	0	41	-1.0	-47.35	307.79	4.72	-42.63
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC3=CC(F)=CC(Cl)=C3OC1)C2	REAL300017240583	0	36	-1.0	-48.55	337.86	6.05	-42.50
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C3C=COC3=C(F)C=C1)C2	REAL300017240584	0	33	-1.0	-48.80	299.14	5.13	-43.67
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300017240585	0	40	-1.0	-51.48	336.36	5.22	-46.26
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240586	0	48	-1.0	-59.68	373.53	8.22	-51.46
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C2	REAL300017240587	0	36	-1.0	-50.09	342.11	6.84	-43.25
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(Cl)SC=C1)C2	REAL300017240588	0	27	-1.0	-55.42	272.60	4.19	-51.23
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN(CC3CCC3)N=C1)C2	REAL300017240589	0	40	-1.0	-49.73	344.18	5.65	-44.08
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(C3CC3)C=CS1)C2	REAL300017240590	0	34	-1.0	-50.49	309.47	6.08	-44.41
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C2	REAL300017240591	0	41	-1.0	-51.65	367.63	7.86	-43.79
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240592	0	43	-1.0	-56.01	360.75	3.35	-52.66
COC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017240593	0	39	-1.0	-60.82	336.79	6.00	-54.82
CCCC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240594	0	39	-1.0	-48.86	335.27	7.18	-41.68
COC(=O)C1=NN(C)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240595	0	36	-1.0	-51.24	325.74	3.07	-48.17
N#CC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240596	0	31	-1.0	-47.69	289.30	5.01	-42.68
CN1N=C2CCCC2=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240597	0	37	-1.0	-49.26	315.92	4.53	-44.73
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300017240598	0	34	-1.0	-47.09	327.32	6.30	-40.79
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2C=C1	REAL300017240599	0	42	-1.0	-55.01	372.17	7.70	-47.31
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C2	REAL300017240600	0	39	-1.0	-51.24	359.90	7.56	-43.68
CC(C)(C)N1N=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240601	0	39	-1.0	-50.29	320.12	4.53	-45.76
CC(C)(C)N1C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=N1	REAL300017240602	0	39	-1.0	-49.50	334.70	4.72	-44.78
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CNN=C1C1CCC1)C2	REAL300017240603	0	37	-1.0	-48.85	307.60	3.55	-45.30
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300017240604	0	35	-1.0	-48.05	322.41	4.61	-43.44
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C2	REAL300017240605	0	33	-1.0	-46.17	315.44	6.08	-40.09
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(C(F)(F)F)SC=C1)C2	REAL300017240606	0	30	-1.0	-46.97	275.43	4.59	-42.38
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CSC(C(F)(F)F)=C1)C2	REAL300017240607	0	30	-1.0	-50.56	303.26	4.90	-45.66
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)N1CCC(F)(F)CC1)C2	REAL300017240608	0	35	-1.0	-56.66	299.07	4.11	-52.55
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C2	REAL300017240609	0	33	-1.0	-53.56	322.61	6.28	-47.28
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC=C1C(F)F)C2	REAL300017240610	0	33	-1.0	-55.77	293.21	6.36	-49.41
CCCC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240611	0	41	-1.0	-62.21	355.95	6.83	-55.38
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC3=CC=CC=C3CCC1)C2	REAL300017240612	0	41	-1.0	-48.38	337.53	7.89	-40.49
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC=C21	REAL300017240613	0	40	-1.0	-59.29	351.52	6.66	-52.63
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC3=CC(Cl)=CC=C3OC1)C2	REAL300017240614	0	36	-1.0	-48.06	332.08	5.96	-42.10
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)N1CC3=CC=CC=C3C1)C2	REAL300017240615	0	36	-1.0	-48.14	313.30	5.39	-42.75
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240616	0	35	-1.0	-49.41	327.87	5.53	-43.88
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240617	0	40	-1.0	-47.84	367.16	5.71	-42.13
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(N3C(=O)CCC3=O)N=C1)C2	REAL300017240618	0	39	-1.0	-65.38	345.63	4.75	-60.63
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CSC=C1C(F)(F)F)C2	REAL300017240619	0	30	-1.0	-46.86	287.49	5.08	-41.78
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(C3CC3)=C1)C2	REAL300017240620	0	37	-1.0	-50.85	320.73	6.90	-43.95
COC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=CS1	REAL300017240621	0	31	-1.0	-49.53	290.20	3.44	-46.09
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C2	REAL300017240622	0	33	-1.0	-49.53	304.56	6.52	-43.01
COC(=O)C1=C(C)SC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240623	0	36	-1.0	-49.88	336.45	5.10	-44.78
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(C3CC3)C=C1F)C2	REAL300017240624	0	37	-1.0	-47.89	321.48	6.99	-40.90
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=NN1C1CCCC1)C2	REAL300017240625	0	40	-1.0	-47.45	334.57	5.63	-41.82
CCC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240626	0	39	-1.0	-46.70	331.22	4.85	-41.85
CNC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240627	0	39	-1.0	-56.69	342.17	2.46	-54.23
CS(=O)(=O)C1=CSC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240628	0	33	-1.0	-55.73	323.66	1.48	-54.25
CN(C1CCCCCC1)S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240629	0	44	-1.0	-47.68	340.34	6.01	-41.67
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240630	0	34	-1.0	-47.83	310.05	4.96	-42.87
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300017240631	0	44	-1.0	-50.77	358.81	3.75	-47.02
CC(F)(F)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240632	0	36	-1.0	-47.95	324.12	6.49	-41.46
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(OC(F)F)=C1)C2	REAL300017240633	0	34	-1.0	-52.28	310.61	4.38	-47.90
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)N1CCC(C3=CC=CC=C3)CC1)C2	REAL300017240634	0	45	-1.0	-51.65	364.32	7.33	-44.32
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)S1	REAL300017240635	0	31	-1.0	-47.60	295.05	3.41	-44.19
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C2=NC=CC=C12	REAL300017240636	0	41	-1.0	-61.30	338.67	6.94	-54.36
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)N1CCC(C(F)(F)F)CC1)C2	REAL300017240637	0	38	-1.0	-46.59	326.74	4.90	-41.69
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN(CCF)N=C1)C2	REAL300017240638	0	33	-1.0	-54.14	304.17	3.48	-50.66
CCOCC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240639	0	40	-1.0	-51.39	347.81	5.65	-45.74
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240642	0	40	-1.0	-50.17	350.18	6.24	-43.93
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN(C3CCCCC3)N=C1)C2	REAL300017240643	0	43	-1.0	-48.55	356.60	5.95	-42.60
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(OC3=CC=CC=C3)C=C1)C2	REAL300017240644	0	41	-1.0	-49.44	360.61	7.92	-41.52
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC(C)=C1Br	REAL300017240645	0	36	-1.0	-55.44	328.93	6.58	-48.86
CCN1N=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1Cl	REAL300017240646	0	33	-1.0	-48.15	310.39	3.89	-44.26
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C=CC1=CC=CC=C1Br)C2	REAL300017240647	0	34	-1.0	-50.34	321.04	6.66	-43.68
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1C[C@@H]3C[C@]3(C(=O)[O-])C1)=C2	REAL300017240648	0	36	-1.0	-49.59	355.60	6.27	-43.32
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C2	REAL300017240649	0	30	-1.0	-48.76	301.30	5.69	-43.07
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C2	REAL300017240650	0	32	-1.0	-52.47	309.95	4.21	-48.26
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(F)C=CC3=CN=C(Cl)C=C31)C2	REAL300017240651	0	35	-1.0	-56.63	323.66	6.02	-50.61
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC3=CN=C(Cl)C=C31)C2	REAL300017240652	0	35	-1.0	-61.26	317.76	5.50	-55.76
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C2=CC=CC=C12	REAL300017240653	0	39	-1.0	-60.65	323.37	7.35	-53.30
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240654	0	34	-1.0	-54.00	322.72	5.96	-48.04
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(OCCF)C=C1)C2	REAL300017240655	0	37	-1.0	-51.15	328.88	5.31	-45.84
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC=C21	REAL300017240656	0	44	-1.0	-50.22	374.88	6.52	-43.70
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C2	REAL300017240657	0	30	-1.0	-51.23	297.21	5.63	-45.60
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)O1	REAL300017240658	0	36	-1.0	-58.92	333.07	1.17	-57.75
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300017240659	0	40	-1.0	-50.52	343.25	6.10	-44.42
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C2	REAL300017240660	0	36	-1.0	-53.00	341.25	2.40	-50.60
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C=CC1=CC=C(F)C=C1)C2	REAL300017240661	0	34	-1.0	-48.71	309.58	6.21	-42.50
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C=CC1=CC=CC(Br)=C1)C2	REAL300017240662	0	34	-1.0	-48.68	324.08	6.75	-41.93
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C=CC1=CC=C(Br)C=C1)C2	REAL300017240663	0	34	-1.0	-48.22	324.46	6.77	-41.45
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(C3CC3)S1)C2	REAL300017240664	0	34	-1.0	-47.57	315.09	6.28	-41.29
COC(=O)C1CCCCN1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240665	0	41	-1.0	-55.06	329.54	5.30	-49.76
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC=C21	REAL300017240666	0	52	-1.0	-48.10	400.58	9.14	-38.96
N#CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017240667	0	33	-1.0	-50.00	316.33	5.78	-44.22
COC1=CC=C(C=C(C)S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240668	0	41	-1.0	-58.87	348.86	5.94	-52.93
COC(=O)C=CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240669	0	40	-1.0	-52.02	358.16	6.69	-45.33
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=NN1	REAL300017240670	0	36	-1.0	-50.61	330.13	2.82	-47.79
COC1=CSC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1OC	REAL300017240671	0	35	-1.0	-49.97	322.72	3.04	-46.93
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1C[C@@H]3C[C@]3(C(=O)[O-])C1)C2	REAL300017240672	0	47	-1.0	-59.99	331.38	9.09	-50.90
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)N1C[C@@H]3CCCC[C@@H]3C1)C2	REAL300017240673	0	42	-1.0	-49.55	331.60	5.25	-44.30
CN(CCC1=CC=CC=C1)S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240674	0	41	-1.0	-49.72	351.62	6.82	-42.90
O=C([O-])[C@]12C[C@H]1CN(C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C2	REAL300017240675	0	41	-1.0	-50.95	329.68	10.96	-39.99
O=C([O-])[C@]12C[C@H]1CN(C(=O)N1CCC(CC3=CC=CC=C3)CC1)C2	REAL300017240676	0	47	-1.0	-52.19	360.64	10.94	-41.25
CC(C)(C)OC(=O)N1CCN(C(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300017240677	0	48	-1.0	-51.78	365.07	7.48	-44.30
CN(C(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300017240678	0	37	-1.0	-68.28	301.12	3.18	-65.10
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240679	0	49	-1.0	-53.86	377.45	8.20	-45.66
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240680	0	34	-1.0	-49.41	320.79	6.10	-43.31
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C2	REAL300017240681	0	34	-1.0	-48.34	318.19	5.58	-42.76
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C2	REAL300017240682	0	34	-1.0	-60.51	316.18	4.51	-56.00
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240683	0	36	-1.0	-55.97	313.74	4.67	-51.30
CN1C=CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC=C21	REAL300017240684	0	37	-1.0	-52.53	324.01	6.77	-45.76
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C2	REAL300017240685	0	33	-1.0	-52.43	302.95	6.42	-46.01
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Cl)=C3OCCCOC3=C1)C2	REAL300017240686	0	39	-1.0	-48.48	349.18	5.50	-42.98
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C2	REAL300017240687	0	27	-1.0	-45.36	295.59	5.15	-40.21
CN1N=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1Cl	REAL300017240688	0	30	-1.0	-48.32	288.58	3.02	-45.30
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240689	0	43	-1.0	-58.23	361.77	7.14	-51.09
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300017240690	0	47	-1.0	-51.72	389.78	6.70	-45.02
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(Cl)N=C3C=C(Cl)C=CN31)C2	REAL300017240691	0	33	-1.0	-56.87	327.76	6.21	-50.66
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C2	REAL300017240692	0	35	-1.0	-55.17	324.18	5.47	-49.70
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240693	0	38	-1.0	-53.52	327.78	4.40	-49.12
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(I)C=CS1)C2	REAL300017240694	0	27	-1.0	-47.63	284.52	5.30	-42.33
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(OC3=CC=CC=C3)=C1)C2	REAL300017240695	0	41	-1.0	-48.99	359.57	7.81	-41.18
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240696	0	36	-1.0	-56.69	310.11	6.88	-49.81
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C3NC(=O)C(F)(F)C3=C1)C2	REAL300017240697	0	35	-1.0	-50.42	325.17	3.59	-46.83
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(Cl)C3=NSN=C31)C2	REAL300017240698	0	31	-1.0	-57.28	312.56	3.63	-53.65
COCN1N=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240699	0	34	-1.0	-56.75	304.30	1.03	-55.72
CC1=CC(Cl)=NC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240700	0	32	-1.0	-47.97	286.87	3.90	-44.07
C=C(C)COC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240701	0	41	-1.0	-58.82	354.37	6.48	-52.34
CCN1C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C2CC2)=N1	REAL300017240702	0	40	-1.0	-55.23	344.89	5.37	-49.86
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300017240703	0	34	-1.0	-57.57	304.27	4.18	-53.39
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC3=CC=C(Cl)C=C3C=C1)C2	REAL300017240704	0	36	-1.0	-51.64	334.13	7.57	-44.07
CC(=O)OC1CCN(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	REAL300017240705	0	38	-1.0	-51.42	331.12	3.98	-47.44
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Cl)=CC(C3=CC=CC=C3)=C1)C2	REAL300017240706	0	40	-1.0	-48.19	362.20	8.89	-39.30
CCC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1Br	REAL300017240707	0	36	-1.0	-46.45	329.94	6.84	-39.61
CC1=NN(C2CCCC2)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240708	0	43	-1.0	-53.91	356.91	6.02	-47.89
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Cl)=CS1)C2	REAL300017240709	0	27	-1.0	-46.37	278.54	4.48	-41.89
COCCC1=CC=C(OC)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240710	0	44	-1.0	-49.23	372.53	5.15	-44.08
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC3=CC=CC=C3C=C1Cl)C2	REAL300017240711	0	36	-1.0	-57.62	323.05	7.37	-50.25
CN1N=C2CCOCC2=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240712	0	38	-1.0	-49.34	322.10	2.74	-46.60
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC=C1C1CC1)C2	REAL300017240713	0	37	-1.0	-49.59	302.77	6.64	-42.95
CC1(C)CCN(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300017240714	0	41	-1.0	-50.00	324.12	4.86	-45.14
CC(=O)OCC1CCN(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300017240715	0	44	-1.0	-56.51	366.89	5.54	-50.97
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240716	0	44	-1.0	-69.18	379.84	5.48	-63.70
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)N1CCN(CC(F)F)CC1)C2	REAL300017240717	0	40	-1.0	-47.89	335.21	2.62	-45.27
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C)=N1	REAL300017240718	0	36	-1.0	-47.87	305.59	2.18	-45.69
COC1=NC=C(C)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240719	0	36	-1.0	-52.72	315.21	2.67	-50.05
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(OC3CCOCC3)C=C1)C2	REAL300017240720	0	45	-1.0	-48.69	372.84	5.32	-43.37
COC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240721	0	33	-1.0	-56.08	311.70	2.50	-53.58
COC1=NC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C	REAL300017240722	0	36	-1.0	-52.72	318.80	2.20	-50.52
CC(C)CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=N1	REAL300017240723	0	39	-1.0	-55.01	334.45	4.93	-50.08
CC1=NN(C(C)C)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240724	0	39	-1.0	-49.77	328.85	4.47	-45.30
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CSC(C(F)(F)F)=N1)C2	REAL300017240725	0	29	-1.0	-48.01	297.85	3.03	-44.98
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C2	REAL300017240726	0	34	-1.0	-58.10	333.14	6.95	-51.15
COC(=O)C1=NC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C	REAL300017240727	0	38	-1.0	-53.57	338.26	4.16	-49.41
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240728	0	33	-1.0	-56.07	310.57	6.90	-49.17
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=NN1CC1CC1)C2	REAL300017240729	0	37	-1.0	-48.14	316.84	5.24	-42.90
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C2	REAL300017240730	0	37	-1.0	-48.51	326.74	6.21	-42.30
COC1=NOC(CS(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240731	0	33	-1.0	-52.67	301.85	1.31	-51.36
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)N1CCC3=CC=CN=C31)C2	REAL300017240732	0	35	-1.0	-53.16	306.53	5.18	-47.98
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=NN1C(C)C	REAL300017240733	0	39	-1.0	-47.16	329.47	4.60	-42.56
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC(C3CC3(F)F)=C1)C2	REAL300017240734	0	37	-1.0	-49.17	330.75	7.17	-42.00
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CN=CC(C(F)F)=C1)C2	REAL300017240735	0	32	-1.0	-52.72	298.84	3.82	-48.90
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240736	0	44	-1.0	-49.24	378.46	8.57	-40.67
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(C3CC3(F)F)C=C1)C2	REAL300017240737	0	37	-1.0	-53.12	331.35	6.99	-46.13
O=C([O-])[C@]12C[C@H]1CN(C(=O)N1CCC(C(F)(F)F)CC1)C2	REAL300017240738	0	37	-1.0	-52.40	299.87	7.62	-44.78
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CNC3=CC(Cl)=CC=C31)C2	REAL300017240739	0	34	-1.0	-55.28	318.42	5.14	-50.14
O=C([O-])[C@]12C[C@H]1CN(C(=O)N1CC=C(Br)CC1)C2	REAL300017240740	0	32	-1.0	-48.68	276.32	7.01	-41.67
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(C(F)F)=CC=C1F)C2	REAL300017240741	0	33	-1.0	-54.92	309.31	6.01	-48.91
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240742	0	38	-1.0	-64.61	328.45	0.64	-63.97
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)N1CC3CCC(C1)O3)C2	REAL300017240743	0	37	-1.0	-56.66	300.30	2.89	-53.77
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C2	REAL300017240745	0	37	-1.0	-48.27	310.97	6.60	-41.67
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(Cl)=C1Cl	REAL300017240746	0	33	-1.0	-52.03	311.74	6.38	-45.65
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C2	REAL300017240747	0	34	-1.0	-48.38	320.41	4.82	-43.56
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C(F)N(C3=CC=CC=C3)N=C1)C2	REAL300017240748	0	37	-1.0	-51.46	337.73	6.07	-45.39
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C(F)F)=C1	REAL300017240749	0	37	-1.0	-62.29	322.78	5.32	-56.97
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240750	0	36	-1.0	-46.88	332.89	3.02	-43.86
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C2=NC=CC=C12	REAL300017240751	0	38	-1.0	-57.99	326.92	6.30	-51.69
O=C([O-])[C@]12C[C@H]1CN(C(=O)N1CC(OCC3=CC=CC=C3)C1)C2	REAL300017240752	0	42	-1.0	-52.83	347.52	8.23	-44.60
CC(C)(C)OC(=O)NC1CN(C(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	REAL300017240753	0	45	-1.0	-55.90	358.43	5.02	-50.88
CC(=O)OCC1CCN(C(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300017240754	0	43	-1.0	-55.90	339.63	8.31	-47.59
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)N1CC=C(Br)CC1)C2	REAL300017240755	0	33	-1.0	-46.42	302.72	4.52	-41.90
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240757	0	43	-1.0	-52.50	357.47	6.81	-45.69
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C(Cl)S1	REAL300017240758	0	30	-1.0	-44.48	290.05	5.17	-39.31
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CNC3=CC(C(F)(F)F)=CC=C31)C2	REAL300017240759	0	37	-1.0	-55.54	340.68	5.63	-49.91
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=C3CCCCN3N=C1)C2	REAL300017240760	0	37	-1.0	-47.30	309.32	4.11	-43.19
CC1(C)CC(NS(=O)(=O)C2=CC(F)=CC(Cl)=C2)(C(=O)[O-])C1	REAL300017240765	0	35	-1.0	-51.25	307.62	5.72	-45.53
CC1(C)CC(NC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C32)(C(=O)[O-])C1	REAL300017240784	0	49	-1.0	-59.17	392.85	12.03	-47.14
CC1(C)CC(NS(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)(C(=O)[O-])C1	REAL300017240785	0	40	-1.0	-59.75	338.44	0.08	-59.67
CC1(C)CC(NS(=O)(=O)CC2=CC=CC=C2C#N)(C(=O)[O-])C1	REAL300017240786	0	39	-1.0	-58.31	326.69	6.20	-52.11
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC([N+](=O)[O-])=C1C	REAL300017240787	0	43	-1.0	-64.06	348.08	6.96	-57.10
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1C	REAL300017240788	0	43	-1.0	-65.93	341.50	7.00	-58.93
CC1(C)CC(NS(=O)(=O)C2=CC=C3OCCOC3=C2)(C(=O)[O-])C1	REAL300017240789	0	41	-1.0	-60.49	328.71	4.27	-56.22
CC1(C)CC(NS(=O)(=O)C=CC2=CC=CC=C2)(C(=O)[O-])C1	REAL300017240790	0	39	-1.0	-57.36	317.63	6.43	-50.93
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(=O)N(C)C1=O	REAL300017240791	0	41	-1.0	-53.36	321.70	3.80	-49.56
CC1=NN(C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240792	0	41	-1.0	-51.48	317.16	3.85	-47.63
CC1=NNC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240793	0	38	-1.0	-55.47	296.31	2.63	-52.84
CC1(C)CC(NS(=O)(=O)C2=CC=C3NC(=O)OC3=C2)(C(=O)[O-])C1	REAL300017240794	0	38	-1.0	-61.71	315.76	2.62	-59.09
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240795	0	39	-1.0	-55.97	313.69	4.42	-51.55
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])(C(=O)[O-])C1	REAL300017240796	0	37	-1.0	-60.84	297.56	6.54	-54.30
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240797	0	42	-1.0	-55.64	335.54	5.35	-50.29
CC1(C)CC(NS(=O)(=O)C2=CC=C(F)C=C2F)(C(=O)[O-])C1	REAL300017240798	0	35	-1.0	-42.25	286.54	4.49	-37.76
CC1(C)CC(NS(=O)(=O)C2=CC=C(F)C=C2)(C(=O)[O-])C1	REAL300017240799	0	35	-1.0	-53.37	290.61	5.19	-48.18
CC1(C)CC(NS(=O)(=O)C2=CC=CC(F)=C2)(C(=O)[O-])C1	REAL300017240800	0	35	-1.0	-59.18	290.58	5.18	-54.00
CC1=CC(C)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1C	REAL300017240801	0	47	-1.0	-56.14	339.22	7.44	-48.70
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C)=C1	REAL300017240802	0	44	-1.0	-56.52	329.42	7.16	-49.36
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240803	0	50	-1.0	-61.61	369.83	8.07	-53.54
CC1(C)CC(NS(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)(C(=O)[O-])C1	REAL300017240804	0	35	-1.0	-54.23	316.11	6.09	-48.14
CC1(C)CC(NS(=O)(=O)C2=CC=C(F)C(F)=C2)(C(=O)[O-])C1	REAL300017240805	0	35	-1.0	-55.24	296.90	5.23	-50.01
CC1(C)CC(NS(=O)(=O)C2=CC(Cl)=CC=C2Cl)(C(=O)[O-])C1	REAL300017240806	0	35	-1.0	-39.47	314.35	5.70	-33.77
CC1(C)CC(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300017240807	0	38	-1.0	-59.24	323.24	6.14	-53.10
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)(C(=O)[O-])C1	REAL300017240808	0	38	-1.0	-41.10	306.94	6.04	-35.06
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2F)(C(=O)[O-])C1	REAL300017240809	0	35	-1.0	-45.63	280.12	4.42	-41.21
CC1(C)CC(NS(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300017240810	0	38	-1.0	-48.71	336.07	6.54	-42.17
CC1(C)CC(NS(=O)(=O)C2=CC=CC(Cl)=C2)(C(=O)[O-])C1	REAL300017240811	0	35	-1.0	-57.99	300.91	5.63	-52.36
CC1(C)CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)(C(=O)[O-])C1	REAL300017240812	0	38	-1.0	-39.37	336.34	6.18	-33.19
CC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240813	0	40	-1.0	-55.02	325.29	5.53	-49.49
CC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300017240814	0	41	-1.0	-43.36	322.79	6.10	-37.26
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C	REAL300017240815	0	41	-1.0	-58.14	322.65	6.34	-51.80
CC1(C)CC(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)(C(=O)[O-])C1	REAL300017240816	0	39	-1.0	-46.15	325.98	4.23	-41.92
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300017240817	0	44	-1.0	-52.89	377.85	7.23	-45.66
CC1(C)CC(NS(=O)(=O)C2=CC=C(C#N)C(F)=C2)(C(=O)[O-])C1	REAL300017240818	0	36	-1.0	-55.98	310.78	5.54	-50.44
CC1(C)CC(NS(=O)(=O)CCC2CCOCC2)(C(=O)[O-])C1	REAL300017240819	0	45	-1.0	-58.72	342.18	4.52	-54.20
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300017240820	0	38	-1.0	-45.57	314.46	5.23	-40.34
CC1(C)CC(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)(C(=O)[O-])C1	REAL300017240821	0	44	-1.0	-61.10	348.85	6.72	-54.38
CC1(C)CC(NS(=O)(=O)C2=CC=C(Cl)C3=NON=C32)(C(=O)[O-])C1	REAL300017240822	0	36	-1.0	-45.69	308.87	4.08	-41.61
CC1(C)CC(NS(=O)(=O)CC2=CC=C(C(F)F)C=C2)(C(=O)[O-])C1	REAL300017240823	0	41	-1.0	-59.36	340.54	6.83	-52.53
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C(F)(F)F)=N1	REAL300017240824	0	38	-1.0	-42.79	321.84	3.18	-39.61
CC1=CC=CC(C)=C1CS(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240825	0	44	-1.0	-58.35	338.71	7.15	-51.20
CC1(C)CC(NS(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])(C(=O)[O-])C1	REAL300017240826	0	37	-1.0	-51.12	319.61	6.97	-44.15
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C(F)C=C1C	REAL300017240827	0	44	-1.0	-42.72	350.00	5.58	-37.14
CC1(C)CC(NS(=O)(=O)C2=C(F)C=CS2)(C(=O)[O-])C1	REAL300017240828	0	32	-1.0	-57.01	280.35	4.21	-52.80
CC1(C)CC(NS(=O)(=O)CCC2CCOC2)(C(=O)[O-])C1	REAL300017240829	0	42	-1.0	-59.08	325.56	3.85	-55.23
CC1=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CC=C2N=C1Cl	REAL300017240830	0	43	-1.0	-57.45	360.47	6.51	-50.94
COC(CS(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1)C1=CC=CC=C1	REAL300017240831	0	45	-1.0	-60.16	361.95	5.84	-54.32
CC1(C)CC(NS(=O)(=O)CC2CCCCC2(F)F)(C(=O)[O-])C1	REAL300017240832	0	44	-1.0	-55.96	336.13	6.49	-49.47
CC1(C)CC(NS(=O)(=O)CCOCC2=CC=CC=C2)(C(=O)[O-])C1	REAL300017240833	0	45	-1.0	-56.40	364.27	5.99	-50.41
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)(C(=O)[O-])C1	REAL300017240834	0	40	-1.0	-44.18	325.50	6.30	-37.88
CCOC(=O)C1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240835	0	47	-1.0	-59.89	385.03	7.56	-52.33
CC1(C)CC(NS(=O)(=O)CC2CC(F)(F)C2)(C(=O)[O-])C1	REAL300017240836	0	38	-1.0	-57.77	309.96	5.20	-52.57
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300017240837	0	42	-1.0	-55.67	353.03	5.44	-50.23
CC1(C)CC(NS(=O)(=O)C2=CC=C(C3CC3)C=C2)(C(=O)[O-])C1	REAL300017240838	0	42	-1.0	-57.34	333.38	7.22	-50.12
COC1=CC=C2C=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)CCC2=C1	REAL300017240839	0	47	-1.0	-57.45	365.62	6.72	-50.73
CC1(C)CC(NS(=O)(=O)C2=CC=C(OC3CC3)C=C2)(C(=O)[O-])C1	REAL300017240840	0	43	-1.0	-57.06	345.11	6.07	-50.99
CC1(C)CC(NS(=O)(=O)C2=CC=C(F)C(Cl)=C2)(C(=O)[O-])C1	REAL300017240841	0	35	-1.0	-54.25	306.79	5.68	-48.57
CC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300017240842	0	40	-1.0	-72.61	325.30	5.53	-67.08
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C)=C1	REAL300017240843	0	41	-1.0	-43.52	322.83	6.10	-37.42
CC1(C)CC(NS(=O)(=O)C2=CC=CC(Cl)=C2Cl)(C(=O)[O-])C1	REAL300017240844	0	35	-1.0	-39.62	313.24	5.53	-34.09
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1[N+](=O)[O-]	REAL300017240845	0	41	-1.0	-66.12	339.69	5.86	-60.26
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240846	0	47	-1.0	-57.20	360.41	7.45	-49.75
CC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240847	0	44	-1.0	-57.28	344.43	7.06	-50.22
CCC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240848	0	47	-1.0	-57.12	362.88	7.72	-49.40
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240849	0	46	-1.0	-58.27	379.71	3.13	-55.14
CC1(C)CC(NS(=O)(=O)C2=C(Cl)C=CC=C2Cl)(C(=O)[O-])C1	REAL300017240850	0	35	-1.0	-40.81	300.18	5.66	-35.15
CC1(C)CC(NS(=O)(=O)C2=CC=C(Cl)S2)(C(=O)[O-])C1	REAL300017240851	0	32	-1.0	-54.47	292.64	4.70	-49.77
CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240852	0	44	-1.0	-57.32	348.56	7.34	-49.98
COC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240853	0	39	-1.0	-42.67	299.25	4.76	-37.91
CC1(C)CC(NS(=O)(=O)C2=CC=C(Br)C=C2Cl)(C(=O)[O-])C1	REAL300017240854	0	35	-1.0	-37.95	319.16	5.68	-32.27
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1Br	REAL300017240855	0	39	-1.0	-58.46	333.92	5.09	-53.37
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240856	0	46	-1.0	-51.27	356.01	3.59	-47.68
CC1(C)CC(NS(=O)(=O)C2=CC=C(F)C(F)=C2F)(C(=O)[O-])C1	REAL300017240857	0	35	-1.0	-45.34	292.75	4.54	-40.80
CC1(C)CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)(C(=O)[O-])C1	REAL300017240858	0	35	-1.0	-51.73	317.94	6.16	-45.57
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2Cl)(C(=O)[O-])C1	REAL300017240859	0	35	-1.0	-41.08	297.86	5.06	-36.02
CC1(C)CC(NS(=O)(=O)C2=CC=CC(Br)=C2)(C(=O)[O-])C1	REAL300017240860	0	35	-1.0	-57.78	305.36	5.74	-52.04
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300017240861	0	47	-1.0	-69.88	378.39	7.04	-62.84
CC1(C)CC(NS(=O)(=O)C2=C(F)C=CC=C2F)(C(=O)[O-])C1	REAL300017240862	1	35	-1.0	-44.04	289.70	4.81	-39.23
CC1(C)CC(NS(=O)(=O)C2=CC=C(Cl)N=C2)(C(=O)[O-])C1	REAL300017240863	0	34	-1.0	-49.58	295.93	3.75	-45.83
CC1(C)CC(NS(=O)(=O)C2=CC=CC(C#N)=C2)(C(=O)[O-])C1	REAL300017240864	0	36	-1.0	-61.40	304.87	5.51	-55.89
CC1(C)CC(NS(=O)(=O)C2=CC=C(C#N)C=C2)(C(=O)[O-])C1	REAL300017240865	0	36	-1.0	-54.42	305.01	5.51	-48.91
CC1(C)CC(NS(=O)(=O)C2=CC=C(Cl)C=C2F)(C(=O)[O-])C1	REAL300017240866	0	35	-1.0	-42.28	296.86	4.94	-37.34
CC1(C)CC(NS(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)(C(=O)[O-])C1	REAL300017240867	0	38	-1.0	-37.94	326.17	6.62	-31.32
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2C#N)(C(=O)[O-])C1	REAL300017240868	0	36	-1.0	-41.62	302.62	4.69	-36.93
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC=C1Br	REAL300017240869	0	38	-1.0	-53.72	323.73	6.32	-47.40
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2Br)(C(=O)[O-])C1	REAL300017240870	0	35	-1.0	-40.70	301.03	5.21	-35.49
CC1(C)CC(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300017240871	0	39	-1.0	-54.08	330.18	4.92	-49.16
CC1=C(C)C(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(C)=C1C	REAL300017240872	0	50	-1.0	-57.97	355.70	7.99	-49.98
CC1(C)CC(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)(C(=O)[O-])C1	REAL300017240873	0	44	-1.0	-59.68	346.88	5.07	-54.61
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1[N+](=O)[O-]	REAL300017240874	0	40	-1.0	-51.18	328.44	6.31	-44.87
CC1(C)CC(NS(=O)(=O)C2=CC=C(Br)S2)(C(=O)[O-])C1	REAL300017240875	0	32	-1.0	-54.47	297.29	4.81	-49.66
COC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240876	0	39	-1.0	-39.60	320.81	5.34	-34.26
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240877	0	53	-1.0	-55.92	384.21	8.82	-47.10
CC1(C)CC(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300017240878	0	51	-1.0	-57.11	386.02	8.92	-48.19
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)(C(=O)[O-])C1	REAL300017240879	0	38	-1.0	-52.75	322.91	6.12	-46.63
CC1(C)CC(NS(=O)(=O)C2=CC=C3CCCCC3=C2)(C(=O)[O-])C1	REAL300017240880	0	45	-1.0	-57.60	346.91	7.61	-49.99
COC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300017240881	0	43	-1.0	-43.83	329.01	4.01	-39.82
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1OC	REAL300017240882	0	43	-1.0	-58.12	342.92	4.32	-53.80
CC1(C)CC(NS(=O)(=O)C2=CC=C3CCCC3=C2)(C(=O)[O-])C1	REAL300017240883	0	42	-1.0	-59.17	329.73	7.03	-52.14
CC1=NOC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240884	0	37	-1.0	-46.79	293.49	3.92	-42.87
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(OC)=C1	REAL300017240885	0	43	-1.0	-44.38	328.67	4.06	-40.32
CC1(C)CC(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)(C(=O)[O-])C1	REAL300017240886	0	43	-1.0	-58.12	336.14	7.42	-50.70
CC1=CC(Cl)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1Cl	REAL300017240887	0	41	-1.0	-52.71	337.23	7.26	-45.45
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240888	0	41	-1.0	-57.49	327.06	6.56	-50.93
CC1(C)CC(NS(=O)(=O)C2=CC(F)=CC=C2F)(C(=O)[O-])C1	REAL300017240889	0	35	-1.0	-40.90	286.33	4.50	-36.40
COC1=CC=C(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240890	0	42	-1.0	-43.32	320.98	5.38	-37.94
CC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240891	0	38	-1.0	-41.05	322.66	6.06	-34.99
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1NC(C)=O	REAL300017240892	0	46	-1.0	-73.37	367.44	3.42	-69.95
CC1(C)CC(NS(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)(C(=O)[O-])C1	REAL300017240893	0	43	-1.0	-58.33	343.88	4.30	-54.03
CC1(C)CC(NS(=O)(=O)C2=CC=C3NC(=O)NC3=C2)(C(=O)[O-])C1	REAL300017240894	0	39	-1.0	-55.11	319.95	1.95	-53.16
CC1(C)CC(NS(=O)(=O)C2=CC=C3NC(=O)CC3=C2)(C(=O)[O-])C1	REAL300017240895	0	40	-1.0	-56.74	326.21	3.57	-53.17
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1OCC	REAL300017240896	0	49	-1.0	-58.16	386.63	6.16	-52.00
CC1(C)CC(NS(=O)(=O)C2=CC=C(Cl)C=C2)(C(=O)[O-])C1	REAL300017240897	0	35	-1.0	-53.57	300.93	5.64	-47.93
CC1(C)CC(NS(=O)(=O)C2=CC=C(Br)C=C2)(C(=O)[O-])C1	REAL300017240898	0	35	-1.0	-53.37	305.50	5.75	-47.62
CC1(C)CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)(C(=O)[O-])C1	REAL300017240899	0	37	-1.0	-51.44	312.27	5.79	-45.65
CC1(C)CC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)(C(=O)[O-])C1	REAL300017240900	0	41	-1.0	-58.96	329.94	7.40	-51.56
CC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240901	0	42	-1.0	-60.00	340.87	4.01	-55.99
CC1(C)CC(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)(C(=O)[O-])C1	REAL300017240902	0	37	-1.0	-64.82	312.27	5.79	-59.03
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240903	0	40	-1.0	-66.13	321.83	6.41	-59.72
CC1(C)CC(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)(C(=O)[O-])C1	REAL300017240904	0	38	-1.0	-56.91	321.51	5.79	-51.12
CC1(C)CC(NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)(C(=O)[O-])C1	REAL300017240905	0	38	-1.0	-61.52	329.17	6.65	-54.87
CC1(C)CC(NS(=O)(=O)CC2=CC=C(Br)C(F)=C2)(C(=O)[O-])C1	REAL300017240906	0	38	-1.0	-38.76	334.80	6.05	-32.71
CC1(C)CC(NS(=O)(=O)CC2=CC=CC(S(C)(=O)=O)=C2)(C(=O)[O-])C1	REAL300017240907	0	44	-1.0	-52.06	368.48	2.90	-49.16
CC1(C)CC(NS(=O)(=O)C2=CN=C(Cl)C(Br)=C2)(C(=O)[O-])C1	REAL300017240908	0	34	-1.0	-48.98	315.51	4.21	-44.77
CC1(C)CC(NS(=O)(=O)C2=C3OC=CC3=CC=C2)(C(=O)[O-])C1	REAL300017240909	0	38	-1.0	-46.09	302.18	5.17	-40.92
CC1(C)CC(NS(=O)(=O)CCC2CCCC2)(C(=O)[O-])C1	REAL300017240910	0	44	-1.0	-56.59	334.57	6.36	-50.23
CC1(C)CC(NS(=O)(=O)CCC2CCCCC2)(C(=O)[O-])C1	REAL300017240911	0	47	-1.0	-41.65	349.81	6.34	-35.31
CC1(C)CC(NS(=O)(=O)C2=CNN=C2Cl)(C(=O)[O-])C1	REAL300017240912	0	32	-1.0	-41.40	282.32	1.34	-40.06
CC1=CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2C=C1	REAL300017240913	0	44	-1.0	-58.37	351.32	8.05	-50.32
CC1(C)CC(NS(=O)(=O)C2=C(Cl)C=CS2)(C(=O)[O-])C1	REAL300017240914	0	32	-1.0	-55.75	288.46	4.72	-51.03
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300017240915	0	44	-1.0	-61.48	364.34	6.84	-54.64
CC1=CSC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300017240916	0	35	-1.0	-57.11	297.26	4.74	-52.37
CC1(C)CC(NS(=O)(=O)C2=CC=C(OCC(=O)NC3CC3)C=C2)(C(=O)[O-])C1	REAL300017240917	0	50	-1.0	-60.58	405.77	5.67	-54.91
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240918	0	48	-1.0	-58.86	380.52	5.48	-53.38
CC1(C)CC(NS(=O)(=O)CC2=C(F)C=CC=C2Cl)(C(=O)[O-])C1	REAL300017240919	0	38	-1.0	-61.28	327.31	6.44	-54.84
CC1(C)CC(NS(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)(C(=O)[O-])C1	REAL300017240920	0	41	-1.0	-50.08	325.49	6.68	-43.40
CCC1=CC(CC)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(CC)=C1	REAL300017240921	0	53	-1.0	-55.11	372.76	9.00	-46.11
CC1(C)CC(NS(=O)(=O)C2=CC=C3CCOC3=C2)(C(=O)[O-])C1	REAL300017240922	0	40	-1.0	-62.85	319.87	4.97	-57.88
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300017240923	0	43	-1.0	-51.34	338.55	6.92	-44.42
CC1(C)CC(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)(C(=O)[O-])C1	REAL300017240924	0	42	-1.0	-57.60	340.17	4.88	-52.72
CC1(C)CC(NS(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)(C(=O)[O-])C1	REAL300017240925	0	37	-1.0	-51.53	332.37	5.05	-46.48
COC1=CC(OC)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1Cl	REAL300017240926	0	43	-1.0	-41.07	344.65	4.63	-36.44
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC=C1Cl	REAL300017240927	0	39	-1.0	-53.34	329.72	4.97	-48.37
CC1(C)CC(NS(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)(C(=O)[O-])C1	REAL300017240928	0	38	-1.0	-40.02	311.87	1.92	-38.10
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240929	0	48	-1.0	-49.13	374.93	5.77	-43.36
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)(C(=O)[O-])C1	REAL300017240930	0	38	-1.0	-46.46	314.97	3.97	-42.49
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C(F)C=C1Br	REAL300017240931	0	38	-1.0	-43.16	319.61	5.60	-37.56
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])(C(=O)[O-])C1	REAL300017240932	0	40	-1.0	-52.90	335.98	7.40	-45.50
CC1=CC=CC(Cl)=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240933	0	38	-1.0	-54.51	304.66	6.26	-48.25
CC1(C)CC(NS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)(C(=O)[O-])C1	REAL300017240934	0	42	-1.0	-43.59	334.75	6.92	-36.67
CC1(C)CC(NS(=O)(=O)CCOCC2CCCC2)(C(=O)[O-])C1	REAL300017240935	0	48	-1.0	-54.86	369.37	5.71	-49.15
CC1(C)CC(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)(C(=O)[O-])C1	REAL300017240936	0	39	-1.0	-39.37	313.87	4.97	-34.40
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=C2OCC3)(C(=O)[O-])C1	REAL300017240937	0	40	-1.0	-46.18	321.41	4.41	-41.77
COC(=O)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1F	REAL300017240938	0	44	-1.0	-58.18	366.58	6.60	-51.58
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C2=CC=CC(C)=C2S1	REAL300017240939	0	44	-1.0	-52.99	352.76	7.99	-45.00
CC1(C)CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)(C(=O)[O-])C1	REAL300017240940	0	39	-1.0	-39.35	324.27	5.44	-33.91
CC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(F)=C1	REAL300017240941	0	38	-1.0	-44.34	311.05	5.48	-38.86
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C1=CC=CC=C1	REAL300017240942	0	49	-1.0	-56.58	392.22	8.18	-48.40
CC1(C)CC(NS(=O)(=O)CCOCC2CC2)(C(=O)[O-])C1	REAL300017240943	0	42	-1.0	-55.07	336.04	4.53	-50.54
CC1(C)CC(NS(=O)(=O)CC2=CC=C(C#N)C=C2)(C(=O)[O-])C1	REAL300017240944	0	39	-1.0	-57.94	329.21	6.36	-51.58
CN(C)C(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240945	0	45	-1.0	-55.01	355.59	4.98	-50.03
COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300017240946	0	39	-1.0	-62.18	313.68	4.41	-57.77
CC1(C)CC(NS(=O)(=O)CC2=CC=CC(Cl)=C2)(C(=O)[O-])C1	REAL300017240947	0	38	-1.0	-43.11	324.52	5.89	-37.22
CC1(C)CC(NS(=O)(=O)C2=CC(Cl)=CC=C2F)(C(=O)[O-])C1	REAL300017240948	0	35	-1.0	-41.00	296.67	4.95	-36.05
CC1(C)CC(NS(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)(C(=O)[O-])C1	REAL300017240949	0	46	-1.0	-60.62	372.23	5.10	-55.52
COC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240950	0	39	-1.0	-39.81	305.94	4.79	-35.02
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1[N+](=O)[O-]	REAL300017240951	0	43	-1.0	-50.62	346.66	6.94	-43.68
CC1(C)CC(NS(=O)(=O)C2=CC=CC3=CN=CC=C32)(C(=O)[O-])C1	REAL300017240952	0	40	-1.0	-45.05	321.14	4.98	-40.07
CC(=O)NC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300017240953	0	38	-1.0	-59.07	328.68	2.60	-56.47
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=N1	REAL300017240954	0	38	-1.0	-52.20	311.23	1.81	-50.39
CC1C(=O)NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C21	REAL300017240956	0	43	-1.0	-57.14	347.18	4.15	-52.99
CC1(C)CC(NS(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)(C(=O)[O-])C1	REAL300017240957	0	41	-1.0	-58.61	334.76	2.36	-56.25
CC(C)CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240958	0	50	-1.0	-57.31	387.66	8.63	-48.68
CC(=O)N1CCC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CC=C21	REAL300017240959	0	46	-1.0	-60.77	363.32	6.17	-54.60
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2)=C1	REAL300017240960	0	49	-1.0	-56.52	394.65	8.65	-47.87
CC1(C)CC(NS(=O)(=O)C2=CC=C3OCCC3=C2)(C(=O)[O-])C1	REAL300017240961	0	40	-1.0	-56.54	319.96	4.98	-51.56
CC1(C)CC(NS(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)(C(=O)[O-])C1	REAL300017240962	0	46	-1.0	-68.25	361.16	6.24	-62.01
CC1(C)CC(NS(=O)(=O)C2=CC=C(C#N)C(C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300017240963	0	39	-1.0	-56.40	340.87	6.31	-50.09
CN1C(=O)CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CC=C21	REAL300017240964	0	43	-1.0	-57.89	347.52	5.57	-52.32
CC1(C)CC(NS(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)(C(=O)[O-])C1	REAL300017240965	0	40	-1.0	-57.61	331.88	6.62	-50.99
CN1C(=O)OC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CC=C21	REAL300017240966	0	41	-1.0	-53.22	338.34	5.09	-48.13
CC1(C)CC(NS(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2)(C(=O)[O-])C1	REAL300017240967	0	40	-1.0	-52.38	341.83	5.94	-46.44
CC1(C)CC(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)(C(=O)[O-])C1	REAL300017240968	0	39	-1.0	-57.08	330.17	4.91	-52.17
CC1(C)CC(NS(=O)(=O)C2=CC(F)=CC(F)=C2)(C(=O)[O-])C1	REAL300017240969	0	35	-1.0	-52.02	297.29	5.27	-46.75
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300017240970	0	35	-1.0	-58.21	297.46	4.87	-53.34
CC1(C)CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)(C(=O)[O-])C1	REAL300017240971	0	37	-1.0	-36.32	326.09	5.72	-30.60
CC(=O)NCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300017240972	0	42	-1.0	-60.89	358.26	3.25	-57.64
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300017240973	0	45	-1.0	-53.34	355.70	4.36	-48.98
CC1(C)CC(NS(=O)(=O)C2=C(Cl)SC(Cl)=C2)(C(=O)[O-])C1	REAL300017240974	0	32	-1.0	-36.67	307.24	4.73	-31.94
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240975	0	51	-1.0	-58.51	399.66	6.05	-52.46
CC(=O)N1CCCC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)=CC=C21	REAL300017240976	0	49	-1.0	-69.92	375.69	6.70	-63.22
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240977	0	41	-1.0	-54.08	338.96	5.78	-48.30
CNC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1	REAL300017240978	0	42	-1.0	-55.98	340.63	3.39	-52.59
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(N)=O)C=C2)(C(=O)[O-])C1	REAL300017240979	0	39	-1.0	-55.97	318.55	1.90	-54.07
CC(=O)N1C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2CC1C	REAL300017240980	0	49	-1.0	-59.00	378.71	6.68	-52.32
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300017240981	0	38	-1.0	-54.09	331.52	4.85	-49.24
CC1(C)CC(NS(=O)(=O)N2CCCCCC2)(C(=O)[O-])C1	REAL300017240982	0	43	-1.0	-40.55	312.57	5.26	-35.29
CCOC(=O)C1=CNN=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240983	0	41	-1.0	-51.27	339.31	3.15	-48.12
CC1(C)CC(NS(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)(C(=O)[O-])C1	REAL300017240984	0	41	-1.0	-56.66	340.58	2.11	-54.55
CC1(C)CC(NS(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)CO3)(C(=O)[O-])C1	REAL300017240985	0	41	-1.0	-41.90	348.51	2.30	-39.60
CC1(C)CC(NS(=O)(=O)C2=CC=CN=C2Cl)(C(=O)[O-])C1	REAL300017240986	0	34	-1.0	-42.18	293.02	3.09	-39.09
CC1=CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)=C2N=C1	REAL300017240987	0	43	-1.0	-48.55	332.57	6.53	-42.02
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C([N+](=O)[O-])=C1	REAL300017240988	0	41	-1.0	-56.77	327.06	5.84	-50.93
COC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240989	0	39	-1.0	-39.86	315.96	5.28	-34.58
CC1(C)CC(NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)(C(=O)[O-])C1	REAL300017240990	0	39	-1.0	-41.68	314.42	5.12	-36.56
CC1(C)CC(NS(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)(C(=O)[O-])C1	REAL300017240991	0	40	-1.0	-65.53	338.32	0.07	-65.46
CC1(C)CC(NS(=O)(=O)CC2=CC=C([N+](=O)[O-])C=C2)(C(=O)[O-])C1	REAL300017240992	0	40	-1.0	-57.31	336.57	6.63	-50.68
CC1(C)CC(NS(=O)(=O)CC2=CC=C(F)C=C2)(C(=O)[O-])C1	REAL300017240993	0	38	-1.0	-56.95	314.77	6.03	-50.92
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C(Cl)=C1	REAL300017240994	0	38	-1.0	-41.94	319.27	5.73	-36.21
CC1(C)CC(NS(=O)(=O)C2=CC=C3NC(=O)NC(=O)C3=C2)(C(=O)[O-])C1	REAL300017240995	0	41	-1.0	-54.90	339.55	1.50	-53.40
CC1(C)CC(NS(=O)(=O)C2=C(Cl)N=C3SC=CN32)(C(=O)[O-])C1	REAL300017240996	0	35	-1.0	-58.45	314.14	4.99	-53.46
CC1(C)CC(NS(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)(C(=O)[O-])C1	REAL300017240997	0	41	-1.0	-62.00	344.87	2.64	-59.36
CN1C(=O)C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(C)(C)C3)C=C2C1=O	REAL300017240998	0	42	-1.0	-51.48	349.84	4.40	-47.08
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240999	0	43	-1.0	-57.19	336.41	6.28	-50.91
CC1=CC(F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017241000	0	38	-1.0	-39.90	307.90	5.52	-34.38
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1F	REAL300017246238	0	38	-1.0	-57.67	327.71	5.69	-51.98
CC1(C(NS(=O)(=O)C2=CC=C(CC#N)C=C2)C(=O)[O-])CC1	REAL300017246239	0	36	-1.0	-63.43	321.75	5.49	-57.94
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC(F)=C1F	REAL300017246240	0	38	-1.0	-51.22	345.14	5.06	-46.16
CC1(C(NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C(=O)[O-])CC1	REAL300017246241	0	44	-1.0	-57.31	363.60	5.77	-51.54
CC1(C(NS(=O)(=O)N2CCC3(CCCCC3)CC2)C(=O)[O-])CC1	REAL300017246242	0	50	-1.0	-43.88	372.11	5.98	-37.90
CC1=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=CC=C2C=C1	REAL300017246243	0	40	-1.0	-52.33	326.43	5.72	-46.61
CC1(C(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246244	0	40	-1.0	-69.80	344.18	6.21	-63.59
CC1(C(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)C(=O)[O-])CC1	REAL300017246245	0	43	-1.0	-56.25	355.35	2.82	-53.43
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246246	0	46	-1.0	-47.09	402.47	5.49	-41.60
CCCN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246247	0	38	-1.0	-50.65	331.35	5.02	-45.63
CC1(C(NS(=O)(=O)C2=CC(Br)=C(C#N)C=C2F)C(=O)[O-])CC1	REAL300017246248	0	33	-1.0	-39.04	318.88	4.85	-34.19
CC1(C(NS(=O)(=O)C2=C(C#N)SC=C2)C(=O)[O-])CC1	REAL300017246249	0	30	-1.0	-46.40	279.54	3.04	-43.36
CC1(C(NS(=O)(=O)CC2CCC(F)CC2)C(=O)[O-])CC1	REAL300017246250	0	41	-1.0	-57.33	324.70	5.43	-51.90
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1Cl	REAL300017246251	0	35	-1.0	-52.95	314.97	5.42	-47.53
CC1(C(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C(=O)[O-])CC1	REAL300017246252	0	38	-1.0	-68.02	327.62	5.30	-62.72
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)=N1	REAL300017246253	0	41	-1.0	-56.75	365.74	5.79	-50.96
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1F	REAL300017246254	0	38	-1.0	-50.80	348.14	5.09	-45.71
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246255	0	41	-1.0	-47.55	353.55	5.25	-42.30
CC1=C(Br)C=CC=C1CS(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246256	0	38	-1.0	-57.68	337.02	6.12	-51.56
CC1(C(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)C(=O)[O-])CC1	REAL300017246257	0	35	-1.0	-44.05	327.50	5.50	-38.55
CC1(C(NS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C(=O)[O-])CC1	REAL300017246258	0	32	-1.0	-50.92	317.56	5.44	-45.48
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246259	0	39	-1.0	-61.01	333.31	1.71	-59.30
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246260	0	57	-1.0	-54.36	459.87	9.26	-45.10
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246261	0	47	-1.0	-57.34	389.37	6.66	-50.68
CCC1CCN(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300017246262	0	43	-1.0	-39.58	320.94	4.38	-35.20
CC1(C(NS(=O)(=O)CCC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300017246263	0	38	-1.0	-56.99	328.90	5.83	-51.16
CC1(C(NS(=O)(=O)CCC2=CC=CC=C2F)C(=O)[O-])CC1	REAL300017246264	0	38	-1.0	-60.49	328.05	5.80	-54.69
CC1(C(NS(=O)(=O)CCC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300017246265	0	38	-1.0	-60.06	337.30	6.18	-53.88
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246266	0	36	-1.0	-39.37	324.17	5.01	-34.36
COC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1)C(=O)NCCC2	REAL300017246267	0	47	-1.0	-48.42	373.38	3.44	-44.98
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)S2)C1	REAL300017246268	0	43	-1.0	-47.92	374.36	4.71	-43.21
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)SC2=CC=C(C#N)C=C12	REAL300017246269	0	39	-1.0	-46.37	353.06	6.69	-39.68
COC1CCN(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300017246270	0	41	-1.0	-54.44	324.37	2.28	-52.16
CC1(C(NS(=O)(=O)CC2=CC(F)=CC=C2Br)C(=O)[O-])CC1	REAL300017246271	0	35	-1.0	-43.66	330.72	5.62	-38.04
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246272	0	45	-1.0	-54.14	367.39	5.94	-48.20
CC(CC(F)(F)F)CS(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246273	0	37	-1.0	-59.43	314.65	4.54	-54.89
CC1(C(NS(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C(=O)[O-])CC1	REAL300017246274	0	39	-1.0	-52.94	349.29	6.17	-46.77
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=C2)=N1	REAL300017246275	0	44	-1.0	-46.67	376.65	4.25	-42.42
COC1=CC(F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246276	0	36	-1.0	-42.38	306.48	4.21	-38.17
COC(=O)C1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)O1	REAL300017246277	0	38	-1.0	-48.53	342.43	3.69	-44.84
CCC1=NC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CN1CC1CC1	REAL300017246278	0	45	-1.0	-54.78	382.74	6.23	-48.55
CC(=O)N1CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C2C1	REAL300017246279	0	43	-1.0	-65.77	364.52	4.89	-60.88
CC1(C(NS(=O)(=O)C2=CN=C(C3CC3)S2)C(=O)[O-])CC1	REAL300017246280	0	35	-1.0	-45.33	324.71	3.81	-41.52
CC1(C(NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C(=O)[O-])CC1	REAL300017246281	0	35	-1.0	-56.65	334.43	4.12	-52.53
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(C)C	REAL300017246282	0	51	-1.0	-55.38	408.82	7.32	-48.06
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1[N+](=O)[O-]	REAL300017246283	0	40	-1.0	-46.65	347.05	6.68	-39.97
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246284	0	39	-1.0	-45.17	326.91	4.07	-41.10
CC1(C(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300017246285	0	45	-1.0	-53.36	382.00	6.36	-47.00
CC1(C(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C(=O)[O-])CC1	REAL300017246286	0	46	-1.0	-53.72	396.98	7.67	-46.05
COC(CS(=O)(=O)NC(C(=O)[O-])C1(C)CC1)C1=CC=C(F)C=C1	REAL300017246287	0	42	-1.0	-43.35	352.84	5.57	-37.78
CC1(C(NS(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C(=O)[O-])CC1	REAL300017246288	0	44	-1.0	-57.14	361.29	5.70	-51.44
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Cl	REAL300017246289	0	40	-1.0	-54.74	361.40	3.22	-51.52
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=CC=C12	REAL300017246290	0	44	-1.0	-47.34	373.96	7.21	-40.13
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C	REAL300017246291	0	43	-1.0	-56.54	364.23	3.41	-53.13
CC1(C(NS(=O)(=O)CC2(C(F)F)CCCC2)C(=O)[O-])CC1	REAL300017246292	0	41	-1.0	-40.14	330.44	5.52	-34.62
CCOC1(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)CCOCC1	REAL300017246293	0	46	-1.0	-59.47	361.75	2.99	-56.48
CCOC(CS(=O)(=O)NC(C(=O)[O-])C1(C)CC1)C1CC1	REAL300017246294	0	42	-1.0	-59.62	341.27	4.56	-55.06
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1F	REAL300017246295	0	38	-1.0	-50.02	337.74	4.63	-45.39
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=C(Cl)C=C21	REAL300017246296	0	43	-1.0	-59.29	362.73	5.45	-53.84
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246297	0	35	-1.0	-46.51	321.58	2.61	-43.90
CC1(C(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C(=O)[O-])CC1	REAL300017246298	0	43	-1.0	-58.96	380.19	8.41	-50.55
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246299	0	35	-1.0	-38.64	325.56	5.78	-32.86
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1Br	REAL300017246300	0	35	-1.0	-45.40	317.14	5.69	-39.71
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246301	0	38	-1.0	-48.66	340.26	5.69	-42.97
CC1(C(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)C(=O)[O-])CC1	REAL300017246302	0	40	-1.0	-53.41	338.32	2.08	-51.33
COC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246303	0	36	-1.0	-53.99	330.33	4.23	-49.76
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1[N+](=O)[O-]	REAL300017246304	0	38	-1.0	-51.76	335.01	5.06	-46.70
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246305	0	38	-1.0	-41.76	336.81	6.23	-35.53
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=N1	REAL300017246306	0	39	-1.0	-52.82	337.89	1.90	-50.92
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246307	0	45	-1.0	-56.88	365.16	5.64	-51.24
CC1(C(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C(=O)[O-])CC1	REAL300017246308	0	39	-1.0	-57.43	341.74	4.81	-52.62
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1C	REAL300017246309	0	59	-1.0	-46.96	471.03	8.81	-38.15
CC1(C(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])CC1	REAL300017246310	0	40	-1.0	-59.47	350.71	6.44	-53.03
CC1(C(NS(=O)(=O)C2=CC=C(F)C(Br)=C2)C(=O)[O-])CC1	REAL300017246311	0	32	-1.0	-40.62	311.06	4.95	-35.67
CC1(C(NS(=O)(=O)CC2=CC=C(F)C=C2F)C(=O)[O-])CC1	REAL300017246312	0	35	-1.0	-61.13	314.86	5.13	-56.00
CC1(C(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C(=O)[O-])CC1	REAL300017246313	0	39	-1.0	-67.01	344.20	2.18	-64.83
CCN1C(=O)OC2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CC=C21	REAL300017246314	0	41	-1.0	-60.51	353.25	5.23	-55.28
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246315	0	35	-1.0	-43.45	316.26	5.61	-37.84
COCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246316	0	39	-1.0	-44.68	329.11	4.50	-40.18
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1Br	REAL300017246317	0	36	-1.0	-52.55	329.40	4.29	-48.26
CC1(C(NS(=O)(=O)C2=C(Cl)SC(S(C)(=O)=O)=C2)C(=O)[O-])CC1	REAL300017246318	0	35	-1.0	-50.12	339.39	1.02	-49.10
CC1(C(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C(=O)[O-])CC1	REAL300017246319	0	35	-1.0	-59.94	322.18	3.35	-56.59
CC1(C(NS(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C(=O)[O-])CC1	REAL300017246320	0	43	-1.0	-46.46	361.49	5.54	-40.92
CC1(C(NS(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C(=O)[O-])CC1	REAL300017246321	0	40	-1.0	-57.22	356.31	1.04	-56.18
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1F	REAL300017246322	0	43	-1.0	-56.53	377.76	1.93	-54.60
CCC(=O)NCC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1OC	REAL300017246323	0	49	-1.0	-62.57	410.39	3.48	-59.09
CCC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246324	0	41	-1.0	-59.37	346.03	6.47	-52.90
COC1=CC=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246325	0	36	-1.0	-45.50	328.59	4.39	-41.11
CC1(C(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C(=O)[O-])CC1	REAL300017246326	0	47	-1.0	-58.90	391.11	4.71	-54.19
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246327	0	41	-1.0	-59.24	359.56	2.69	-56.55
CC1(C(NS(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C(=O)[O-])CC1	REAL300017246328	0	34	-1.0	-51.92	327.80	4.23	-47.69
CC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1Br	REAL300017246329	0	37	-1.0	-50.90	334.11	5.28	-45.62
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246330	0	37	-1.0	-51.95	335.54	5.27	-46.68
CC1(C(NS(=O)(=O)C2=CC(Br)=CC(C#N)=C2)C(=O)[O-])CC1	REAL300017246331	0	33	-1.0	-52.35	319.50	5.26	-47.09
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Br	REAL300017246332	0	39	-1.0	-56.70	351.27	5.21	-51.49
CC1(C(NS(=O)(=O)CCNC(=O)OCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300017246333	0	46	-1.0	-62.31	396.62	3.74	-58.57
CC1(C(NS(=O)(=O)CC2=C(F)C=CC=C2F)C(=O)[O-])CC1	REAL300017246334	0	35	-1.0	-61.34	311.61	5.04	-56.30
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246335	0	45	-1.0	-55.86	391.02	6.04	-49.82
CC1(C(NS(=O)(=O)N2CCOC(C)(C)C2)C(=O)[O-])CC1	REAL300017246336	0	41	-1.0	-53.89	325.65	2.52	-51.37
COC1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C	REAL300017246337	0	42	-1.0	-46.87	359.36	5.20	-41.67
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246338	0	48	-1.0	-54.35	391.45	6.66	-47.69
CC1(C(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C(=O)[O-])CC1	REAL300017246339	0	46	-1.0	-54.47	374.14	6.54	-47.93
CC(C)COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246340	0	45	-1.0	-53.94	370.33	5.99	-47.95
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246341	0	42	-1.0	-53.98	350.23	5.29	-48.69
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Cl	REAL300017246342	0	36	-1.0	-52.85	325.02	4.18	-48.67
CC1(C(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C(=O)[O-])CC1	REAL300017246343	0	36	-1.0	-55.29	334.78	4.44	-50.85
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C	REAL300017246344	0	39	-1.0	-54.66	326.90	4.31	-50.35
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1OC(C)C	REAL300017246345	0	45	-1.0	-54.30	366.68	5.86	-48.44
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1	REAL300017246346	0	39	-1.0	-44.24	326.87	4.55	-39.69
COCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246347	0	43	-1.0	-56.69	364.51	3.83	-52.86
COCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C	REAL300017246348	0	46	-1.0	-56.73	384.55	4.55	-52.18
CC1(C(NS(=O)(=O)CC2=CC=CC=C2F)C(=O)[O-])CC1	REAL300017246349	0	35	-1.0	-58.58	306.31	5.01	-53.57
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246350	0	43	-1.0	-60.56	370.22	3.98	-56.58
CC1(C(NS(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C(=O)[O-])CC1	REAL300017246351	0	47	-1.0	-55.29	383.48	3.77	-51.52
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246352	0	42	-1.0	-59.89	349.13	4.12	-55.77
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(Br)=C1	REAL300017246353	0	35	-1.0	-44.31	322.32	5.71	-38.60
CC1(C(NS(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2Cl)C(=O)[O-])CC1	REAL300017246354	0	38	-1.0	-55.73	351.02	2.13	-53.60
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246355	0	38	-1.0	-60.13	334.96	6.12	-54.01
CC1(C(NS(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C(=O)[O-])CC1	REAL300017246356	0	33	-1.0	-50.40	315.70	5.12	-45.28
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246357	0	35	-1.0	-41.39	319.26	5.86	-35.53
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1C	REAL300017246358	0	40	-1.0	-59.57	326.91	7.10	-52.47
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246359	0	38	-1.0	-47.81	347.59	5.45	-42.36
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246360	0	41	-1.0	-52.15	357.97	2.78	-49.37
CC1(C(NS(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)C(=O)[O-])CC1	REAL300017246361	0	36	-1.0	-44.48	326.11	6.17	-38.31
CC1(C(NS(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C(=O)[O-])CC1	REAL300017246362	0	33	-1.0	-54.74	313.58	5.06	-49.68
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246363	0	48	-1.0	-55.21	391.72	6.10	-49.11
CC1(C(NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C(=O)[O-])CC1	REAL300017246364	0	44	-1.0	-56.64	386.40	2.12	-54.52
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246365	0	40	-1.0	-57.92	356.12	0.49	-57.43
CC(=O)NCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300017246366	0	42	-1.0	-50.75	380.77	3.23	-47.52
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)O1	REAL300017246367	0	35	-1.0	-46.06	323.58	3.10	-42.96
CC1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300017246368	0	34	-1.0	-45.14	310.24	2.87	-42.27
CC1(C(NS(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246369	1	34	-1.0	-64.57	301.10	5.88	-58.69
CC1(C(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300017246370	0	35	-1.0	-56.47	334.45	5.99	-50.48
CCOC(=O)C1=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C(C)N1	REAL300017246371	0	45	-1.0	-59.77	370.15	4.84	-54.93
CC1(C(NS(=O)(=O)C2=C(F)C=CC=C2Br)C(=O)[O-])CC1	REAL300017246372	0	32	-1.0	-58.22	295.03	5.15	-53.07
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)S2)=CS1	REAL300017246373	0	38	-1.0	-46.90	363.52	4.85	-42.05
CC1(C(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C(=O)[O-])CC1	REAL300017246374	0	52	-1.0	-54.74	411.93	7.89	-46.85
CC1(C(NS(=O)(=O)C2=CC=CC(C(=O)NCC(F)(F)F)=C2)C(=O)[O-])CC1	REAL300017246375	0	42	-1.0	-58.49	374.58	3.84	-54.65
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246376	0	41	-1.0	-65.55	346.42	5.75	-59.80
CC1(C(NS(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246377	0	34	-1.0	-53.74	308.63	6.10	-47.64
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1OC	REAL300017246378	0	40	-1.0	-47.51	337.21	3.17	-44.34
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1OC	REAL300017246379	0	43	-1.0	-45.44	357.30	4.27	-41.17
CC1(C(NS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246380	1	34	-1.0	-52.68	324.52	6.87	-45.81
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246381	0	40	-1.0	-52.08	333.20	6.14	-45.94
CC1(C(NS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C(=O)[O-])CC1	REAL300017246382	0	35	-1.0	-54.99	323.66	5.19	-49.80
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(N)=O	REAL300017246383	0	37	-1.0	-56.83	322.23	0.49	-56.34
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246384	0	35	-1.0	-41.42	314.70	5.77	-35.65
CCOC(=O)C1CCCN1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246385	0	43	-1.0	-53.58	358.19	4.48	-49.10
CNC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CN1C	REAL300017246386	0	40	-1.0	-56.74	344.40	1.97	-54.77
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1	REAL300017246387	0	42	-1.0	-46.16	336.34	5.27	-40.89
CC1(C(NS(=O)(=O)C2=CC3=C(C=C2Cl)CCC(=O)N3)C(=O)[O-])CC1	REAL300017246388	0	40	-1.0	-47.60	352.42	3.98	-43.62
COC(=O)C1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246389	0	41	-1.0	-44.34	362.52	5.64	-38.70
COC(=O)C1CCN(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300017246390	0	43	-1.0	-42.97	352.18	4.23	-38.74
CC1(C(NS(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C(=O)[O-])CC1	REAL300017246391	0	43	-1.0	-45.32	359.55	4.43	-40.89
COC(=O)C1=CC=CC(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246392	0	41	-1.0	-66.13	355.81	5.63	-60.50
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)O1	REAL300017246393	0	38	-1.0	-47.88	346.40	4.02	-43.86
COC(=O)CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246394	0	45	-1.0	-59.26	386.34	5.40	-53.86
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C	REAL300017246395	0	42	-1.0	-43.60	348.14	5.16	-38.44
CC1(C(NS(=O)(=O)C2=CC=C3COC(=O)C3=C2)C(=O)[O-])CC1	REAL300017246396	0	36	-1.0	-51.47	322.42	4.65	-46.82
CCOC(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246397	0	40	-1.0	-63.74	339.90	4.47	-59.27
CC1(C(NS(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C(=O)[O-])CC1	REAL300017246398	0	35	-1.0	-58.20	309.87	6.18	-52.02
CC1(C(NS(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246399	0	34	-1.0	-53.43	313.20	6.20	-47.23
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246400	0	37	-1.0	-59.83	307.39	6.46	-53.37
CC1(C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)C(=O)[O-])CC1	REAL300017246401	0	34	-1.0	-48.10	319.52	5.58	-42.52
CC1(C(NS(=O)(=O)C2=C(Br)C=CS2)C(=O)[O-])CC1	REAL300017246402	0	29	-1.0	-42.15	290.68	3.80	-38.35
CC1(C(NS(=O)(=O)C2=CC=CC3=C2COC3=O)C(=O)[O-])CC1	REAL300017246403	0	36	-1.0	-44.79	320.32	4.73	-40.06
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC=CN=C2C=C1	REAL300017246404	0	40	-1.0	-56.92	322.67	5.46	-51.46
CC1(C(NS(=O)(=O)CC2=CC=C(Cl)N=C2)C(=O)[O-])CC1	REAL300017246405	0	34	-1.0	-57.92	312.70	3.62	-54.30
CC1(C(NS(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C(=O)[O-])CC1	REAL300017246406	0	40	-1.0	-48.60	338.20	3.13	-45.47
CC1(C(NS(=O)(=O)C2=CC(Br)=CN=C2Cl)C(=O)[O-])CC1	REAL300017246407	0	31	-1.0	-42.43	299.40	3.07	-39.36
CC1(C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C(=O)[O-])CC1	REAL300017246408	0	34	-1.0	-42.40	314.18	5.12	-37.28
CC1(C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)C(=O)[O-])CC1	REAL300017246409	0	34	-1.0	-51.08	321.75	5.39	-45.69
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246410	0	41	-1.0	-53.52	366.10	2.75	-50.77
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C([N+](=O)[O-])=N1	REAL300017246411	0	37	-1.0	-55.07	327.60	5.10	-49.97
CC1(C(NS(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246412	0	34	-1.0	-55.55	316.66	5.75	-49.80
CC1(C(NS(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246413	0	34	-1.0	-53.63	314.16	5.06	-48.57
CC1(C(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300017246414	0	39	-1.0	-55.52	350.45	5.02	-50.50
CC1(C(NS(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246415	0	34	-1.0	-48.53	320.41	6.47	-42.06
CC1(C(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C(=O)[O-])CC1	REAL300017246416	0	46	-1.0	-55.81	390.75	7.61	-48.20
CC1(C(NS(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2F)C(=O)[O-])CC1	REAL300017246417	0	40	-1.0	-46.06	359.56	1.17	-44.89
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246418	0	40	-1.0	-60.97	342.58	5.59	-55.38
CCOC(=O)N1CCN(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300017246419	0	45	-1.0	-44.48	371.80	3.10	-41.38
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC=C(Cl)N=C2C=C1	REAL300017246420	0	41	-1.0	-56.98	357.60	5.57	-51.41
CC1(C(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C(=O)[O-])CC1	REAL300017246421	0	42	-1.0	-59.12	366.35	5.89	-53.23
CC1(C(NS(=O)(=O)C2=CN=C3NC=CC=C23)C(=O)[O-])CC1	REAL300017246422	0	35	-1.0	-60.99	311.39	3.45	-57.54
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246423	0	54	-1.0	-56.75	415.32	7.20	-49.55
CC1(C(NS(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C(=O)[O-])CC1	REAL300017246424	0	40	-1.0	-63.15	353.10	1.04	-62.11
CC1(C(NS(=O)(=O)CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300017246425	0	35	-1.0	-60.18	307.40	5.04	-55.14
CC1(C(NS(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)C(=O)[O-])CC1	REAL300017246426	0	38	-1.0	-63.90	342.44	1.81	-62.09
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC=CC=C12	REAL300017246427	0	45	-1.0	-48.91	373.86	6.99	-41.92
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246428	0	42	-1.0	-46.15	339.48	5.59	-40.56
CC1(C(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C(=O)[O-])CC1	REAL300017246429	0	37	-1.0	-71.62	325.67	4.43	-67.19
CC1(C(NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C(=O)[O-])CC1	REAL300017246430	0	39	-1.0	-53.80	338.70	5.39	-48.41
CC1(C(NS(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246431	0	34	-1.0	-57.74	323.91	5.45	-52.29
CC1(C(NS(=O)(=O)C2=CC=CC(F)=C2C#N)C(=O)[O-])CC1	REAL300017246432	0	33	-1.0	-52.87	306.66	4.72	-48.15
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246433	0	46	-1.0	-56.68	386.36	4.79	-51.89
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246434	0	48	-1.0	-54.36	395.38	6.92	-47.44
CC1(C(NS(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246435	0	34	-1.0	-61.65	309.81	6.43	-55.22
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1F	REAL300017246436	0	38	-1.0	-45.73	344.32	4.98	-40.75
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C(Cl)C=C1Cl	REAL300017246437	0	38	-1.0	-41.16	362.87	6.00	-35.16
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246438	0	42	-1.0	-45.92	351.84	5.00	-40.92
COC(=O)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300017246439	0	38	-1.0	-46.79	353.42	4.90	-41.89
COC(=O)C1=CSC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246440	0	35	-1.0	-44.01	332.12	3.97	-40.04
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246441	0	44	-1.0	-64.84	363.95	6.30	-58.54
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1Cl	REAL300017246442	0	38	-1.0	-44.82	352.30	5.35	-39.47
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1C	REAL300017246443	0	41	-1.0	-53.72	350.34	5.50	-48.22
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246444	0	38	-1.0	-46.24	333.17	4.59	-41.65
CC1(C(NS(=O)(=O)C2=CC=CC3=C2CCCC3)C(=O)[O-])CC1	REAL300017246445	0	42	-1.0	-45.89	339.07	7.05	-38.84
CC1(C(NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C(=O)[O-])CC1	REAL300017246446	0	38	-1.0	-61.69	325.60	6.07	-55.62
CC1(C(NS(=O)(=O)C2=CN=CC(Br)=C2)C(=O)[O-])CC1	REAL300017246447	0	31	-1.0	-50.37	293.76	3.06	-47.31
CC1(C(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300017246448	0	36	-1.0	-53.38	333.76	5.73	-47.65
CC1(C(NS(=O)(=O)C2=CC=C3COCC3=C2)C(=O)[O-])CC1	REAL300017246449	0	37	-1.0	-54.09	313.36	3.57	-50.52
CC1(C(NS(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)C(=O)[O-])CC1	REAL300017246450	0	37	-1.0	-54.96	328.08	-0.26	-55.22
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C2S1	REAL300017246451	0	46	-1.0	-54.98	392.52	6.27	-48.71
COC(=O)CC1(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300017246452	0	41	-1.0	-56.73	350.31	4.69	-52.04
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246453	0	37	-1.0	-50.36	339.14	4.48	-45.88
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C(F)C=C1F	REAL300017246454	0	35	-1.0	-44.45	305.14	4.65	-39.80
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246455	0	39	-1.0	-43.14	339.41	5.32	-37.82
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CC=C21	REAL300017246456	0	44	-1.0	-56.08	367.99	5.80	-50.28
CCCCCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(=O)NC1=O	REAL300017246457	0	50	-1.0	-53.86	411.71	4.79	-49.07
CC1=CN(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C2F)N=C1	REAL300017246458	0	42	-1.0	-53.99	360.95	6.13	-47.86
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300017246459	0	39	-1.0	-44.64	359.95	3.23	-41.41
CCS(=O)(=O)NCCS(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246460	0	39	-1.0	-61.48	341.09	-0.99	-62.47
CC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1F	REAL300017246461	0	35	-1.0	-44.10	305.23	4.68	-39.42
CC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1[N+](=O)[O-]	REAL300017246462	0	37	-1.0	-42.66	342.59	6.20	-36.46
CC1(C(NS(=O)(=O)C2=CC=C(Br)O2)C(=O)[O-])CC1	REAL300017246463	0	29	-1.0	-43.80	288.42	3.03	-40.77
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)OC2=CC=C(F)C=C12	REAL300017246464	0	38	-1.0	-49.54	336.82	5.68	-43.86
CC1(C(NS(=O)(=O)C2=C(Cl)SC(Br)=C2)C(=O)[O-])CC1	REAL300017246465	0	29	-1.0	-39.32	300.70	4.20	-35.12
CC1(C(NS(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C(=O)[O-])CC1	REAL300017246466	0	35	-1.0	-43.66	329.40	5.80	-37.86
CC1(C(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C(=O)[O-])CC1	REAL300017246467	0	35	-1.0	-44.79	340.60	6.24	-38.55
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC(Cl)=CC=C2S1	REAL300017246468	0	38	-1.0	-59.16	345.82	7.19	-51.97
CC1(C(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C(=O)[O-])CC1	REAL300017246469	0	35	-1.0	-46.15	335.92	6.23	-39.92
CC1(C(NS(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300017246470	0	38	-1.0	-60.88	323.57	7.09	-53.79
CC1(C(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C(=O)[O-])CC1	REAL300017246471	0	38	-1.0	-50.80	340.80	7.23	-43.57
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(=O)NCC(F)(F)F	REAL300017246472	0	43	-1.0	-55.72	384.99	3.29	-52.43
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CN1C	REAL300017246473	0	42	-1.0	-55.69	363.32	5.36	-50.33
CCOC(=O)C1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CC=C2O1	REAL300017246474	0	46	-1.0	-58.08	393.04	6.56	-51.52
CC1(C(NS(=O)(=O)C2=CC=C(S(C)(=O)=O)C(F)=C2)C(=O)[O-])CC1	REAL300017246475	0	38	-1.0	-58.60	342.44	1.81	-56.79
CC1(C(NS(=O)(=O)C2=CC(Cl)=CC=C2CS(C)(=O)=O)C(=O)[O-])CC1	REAL300017246476	0	41	-1.0	-56.21	371.92	3.92	-52.29
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246477	0	45	-1.0	-59.69	386.04	5.85	-53.84
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)SC2=CC=CC(F)=C12	REAL300017246478	0	38	-1.0	-47.68	341.56	6.51	-41.17
CC1(C(NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C(=O)[O-])CC1	REAL300017246479	0	43	-1.0	-62.05	379.37	1.38	-60.67
CC1(C(NS(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C(=O)[O-])CC1	REAL300017246480	1	33	-1.0	-55.64	305.16	4.90	-50.74
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1N(C)C	REAL300017246481	0	43	-1.0	-54.48	351.97	4.92	-49.56
CN1C(Cl)=NC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246482	0	32	-1.0	-43.71	294.16	2.96	-40.75
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246483	0	37	-1.0	-39.02	339.29	6.16	-32.86
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Cl	REAL300017246484	0	36	-1.0	-52.38	334.71	5.79	-46.59
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)N=C1Cl	REAL300017246485	0	32	-1.0	-50.23	304.22	3.10	-47.13
CC1(C(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C(=O)[O-])CC1	REAL300017246486	0	35	-1.0	-58.63	325.41	5.08	-53.55
CC1(C(NS(=O)(=O)CCC(=O)OCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300017246487	0	44	-1.0	-57.14	378.30	6.76	-50.38
CN(C)C1=CC=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246488	0	40	-1.0	-45.74	349.92	5.49	-40.25
CC1=NN2C=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=NC2=C1Cl	REAL300017246489	0	37	-1.0	-46.43	341.81	4.04	-42.39
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246490	0	38	-1.0	-57.31	337.12	6.16	-51.15
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246491	0	44	-1.0	-47.73	356.08	4.77	-42.96
CCC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C12	REAL300017246492	0	39	-1.0	-44.37	345.29	2.00	-42.37
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC([N+](=O)[O-])=C1F	REAL300017246493	0	37	-1.0	-55.85	330.42	5.59	-50.26
CC1(C(NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C(=O)[O-])CC1	REAL300017246494	0	38	-1.0	-54.26	346.70	7.19	-47.07
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246495	0	38	-1.0	-56.58	324.64	5.67	-50.91
CC1(C(NS(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C(=O)[O-])CC1	REAL300017246496	0	35	-1.0	-62.81	322.27	4.17	-58.64
CC1(C(NS(=O)(=O)CC2=CC=C(Cl)C=C2Br)C(=O)[O-])CC1	REAL300017246497	0	35	-1.0	-57.75	336.57	6.11	-51.64
CC1(C(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC(N)=O)C(=O)[O-])CC1	REAL300017246498	0	40	-1.0	-53.43	359.20	2.62	-50.81
CC1(C(NS(=O)(=O)C2=CN=C(Cl)C=C2Cl)C(=O)[O-])CC1	REAL300017246499	0	31	-1.0	-39.25	296.26	3.06	-36.19
COC(=O)C1CCCCC1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246500	0	44	-1.0	-44.22	347.75	5.70	-38.52
COC(=O)C1(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)CC1	REAL300017246501	0	45	-1.0	-44.68	382.40	6.91	-37.77
CC1(C(NS(=O)(=O)C2=CN3CCCCC3=N2)C(=O)[O-])CC1	REAL300017246502	0	39	-1.0	-57.27	330.86	4.39	-52.88
CC1(C(NS(=O)(=O)CC2=CC=C(Cl)C=C2C#N)C(=O)[O-])CC1	REAL300017246503	0	36	-1.0	-57.14	338.24	5.79	-51.35
CC1(C(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C(=O)[O-])CC1	REAL300017246504	0	38	-1.0	-51.95	346.04	2.33	-49.62
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246505	0	36	-1.0	-39.67	326.88	4.80	-34.87
CC1(C(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C(=O)[O-])CC1	REAL300017246506	0	41	-1.0	-67.92	346.12	7.75	-60.17
CCC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C(C(=O)OC)O1	REAL300017246507	0	41	-1.0	-42.59	362.13	4.69	-37.90
CC1(C(NS(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300017246508	0	49	-1.0	-60.90	389.07	6.04	-54.86
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1F	REAL300017246509	0	39	-1.0	-46.04	332.59	4.61	-41.43
CC1(C(NS(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C(=O)[O-])CC1	REAL300017246510	0	52	-1.0	-67.65	395.65	5.86	-61.79
CC1(C(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C(=O)[O-])CC1	REAL300017246511	0	46	-1.0	-40.51	372.30	4.32	-36.19
CC1(C(NS(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)C(=O)[O-])CC1	REAL300017246512	0	43	-1.0	-56.70	373.48	4.94	-51.76
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246513	0	40	-1.0	-54.02	348.60	6.32	-47.70
CC1(C(NS(=O)(=O)CC2(C#N)CCCCC2)C(=O)[O-])CC1	REAL300017246514	0	42	-1.0	-43.26	337.30	5.13	-38.13
CC1(C(NS(=O)(=O)CC2(C)CCCCC2)C(=O)[O-])CC1	REAL300017246515	0	44	-1.0	-41.85	332.13	5.74	-36.11
CC1(C(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)C(=O)[O-])CC1	REAL300017246516	0	41	-1.0	-46.92	341.81	5.82	-41.10
CC1(C(NS(=O)(=O)C2=CN(CC(F)F)N=C2)C(=O)[O-])CC1	REAL300017246517	0	35	-1.0	-59.83	318.30	3.22	-56.61
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1F	REAL300017246518	0	36	-1.0	-53.11	315.21	3.69	-49.42
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246519	0	43	-1.0	-63.22	369.41	4.31	-58.91
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246520	0	46	-1.0	-45.82	391.65	5.60	-40.22
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246521	0	41	-1.0	-44.46	334.81	6.44	-38.02
CC1(C(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C(=O)[O-])CC1	REAL300017246522	0	46	-1.0	-42.82	377.89	7.63	-35.19
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CC=C2O1	REAL300017246523	0	47	-1.0	-45.08	407.75	6.97	-38.11
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246524	0	44	-1.0	-64.38	366.11	6.62	-57.76
CC1(C(NS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C(=O)[O-])CC1	REAL300017246525	0	32	-1.0	-43.97	306.79	4.98	-38.99
CC1=C(Cl)SC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246526	0	32	-1.0	-41.47	313.06	4.51	-36.96
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(F)=C1	REAL300017246527	0	36	-1.0	-46.41	310.89	3.66	-42.75
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1[N+](=O)[O-]	REAL300017246528	0	40	-1.0	-72.95	337.64	7.64	-65.31
CC1(C(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300017246529	0	38	-1.0	-57.21	338.38	6.06	-51.15
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1[N+](=O)[O-]	REAL300017246530	0	42	-1.0	-49.98	362.79	7.17	-42.81
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246531	0	40	-1.0	-56.70	344.55	2.49	-54.21
CN(C)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246532	0	40	-1.0	-57.15	332.02	4.74	-52.41
CC1(C(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)C(=O)[O-])CC1	REAL300017246533	0	38	-1.0	-47.66	325.65	4.91	-42.75
CC1(C(NS(=O)(=O)C2=CC=CC(C(F)F)=C2)C(=O)[O-])CC1	REAL300017246535	0	35	-1.0	-58.66	313.64	5.25	-53.41
CC1(C(NS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300017246536	0	35	-1.0	-51.39	335.33	5.85	-45.54
CC1(C(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C(=O)[O-])CC1	REAL300017246537	0	35	-1.0	-43.59	317.19	4.95	-38.64
CC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246538	0	35	-1.0	-52.81	322.25	5.60	-47.21
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246539	0	43	-1.0	-43.02	334.86	2.32	-40.70
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246540	0	36	-1.0	-45.28	315.73	5.24	-40.04
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246541	0	43	-1.0	-46.52	354.45	3.94	-42.58
CC1(C(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C(=O)[O-])CC1	REAL300017246542	0	44	-1.0	-53.11	372.66	4.55	-48.56
COC1=C(F)C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1[N+](=O)[O-]	REAL300017246543	0	38	-1.0	-48.58	343.06	5.15	-43.43
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1[N+](=O)[O-]	REAL300017246544	0	42	-1.0	-50.88	368.08	3.62	-47.26
CC1(C(NS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246545	0	43	-1.0	-59.27	378.47	6.14	-53.13
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(OC)=C1	REAL300017246546	0	42	-1.0	-46.16	351.87	5.01	-41.15
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246547	0	35	-1.0	-38.63	325.56	5.79	-32.84
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1[N+](=O)[O-]	REAL300017246548	0	40	-1.0	-42.81	344.50	6.56	-36.25
CC1(C(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)C(=O)[O-])CC1	REAL300017246549	0	40	-1.0	-53.88	345.93	5.49	-48.39
CC1(C(NS(=O)(=O)C2CCS(=O)(=O)CC2)C(=O)[O-])CC1	REAL300017246550	0	38	-1.0	-63.89	316.69	0.56	-63.33
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CC=C21	REAL300017246551	0	42	-1.0	-58.73	359.73	5.23	-53.50
CC1(C(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C(=O)[O-])CC1	REAL300017246552	0	37	-1.0	-55.95	325.65	4.45	-51.50
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(F)=C1	REAL300017246553	0	36	-1.0	-46.75	317.91	3.97	-42.78
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1	REAL300017246554	0	42	-1.0	-44.04	348.72	5.48	-38.56
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246555	0	40	-1.0	-62.67	354.00	0.44	-62.23
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246556	0	41	-1.0	-48.67	354.05	6.26	-42.41
CC1(C(NS(=O)(=O)C2=CC=CC=C2OC(F)F)C(=O)[O-])CC1	REAL300017246557	0	36	-1.0	-45.02	307.48	4.35	-40.67
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246558	0	36	-1.0	-54.01	317.58	5.29	-48.72
CCCOC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246559	0	44	-1.0	-53.20	377.66	6.71	-46.49
CCC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246560	0	42	-1.0	-59.45	354.03	3.97	-55.48
CC1(C(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300017246561	0	38	-1.0	-60.47	339.72	5.97	-54.50
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246562	0	43	-1.0	-57.96	350.05	5.97	-51.99
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)N=C1C	REAL300017246563	0	38	-1.0	-53.68	329.64	4.06	-49.62
CC1(C(NS(=O)(=O)C2=CC=C(Cl)N=C2Cl)C(=O)[O-])CC1	REAL300017246564	0	31	-1.0	-45.51	296.47	2.95	-42.56
CC1(C(NS(=O)(=O)C2=CC=CC3=C2OCCO3)C(=O)[O-])CC1	REAL300017246565	0	38	-1.0	-49.53	326.38	4.03	-45.50
CC1(C(NS(=O)(=O)C2=CC=CC3=NC=CC=C32)C(=O)[O-])CC1	REAL300017246566	0	37	-1.0	-47.93	319.23	4.83	-43.10
CC1(C(NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C(=O)[O-])CC1	REAL300017246567	0	44	-1.0	-57.94	372.31	6.30	-51.64
CC1(C(NS(=O)(=O)C2=CC=CC(F)=C2F)C(=O)[O-])CC1	REAL300017246568	0	32	-1.0	-51.20	284.86	4.03	-47.17
CC1(C(NS(=O)(=O)C2=CC(Br)=CC=C2F)C(=O)[O-])CC1	REAL300017246569	0	32	-1.0	-43.69	299.85	4.59	-39.10
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(F)(F)F	REAL300017246570	0	38	-1.0	-52.01	331.80	5.79	-46.22
CC1(C(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C(=O)[O-])CC1	REAL300017246571	0	38	-1.0	-49.20	359.34	5.01	-44.19
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C12	REAL300017246572	0	40	-1.0	-52.58	345.85	4.04	-48.54
CC1(C(NS(=O)(=O)CC2=CC=C(Br)C=C2F)C(=O)[O-])CC1	REAL300017246573	0	35	-1.0	-60.01	327.60	5.63	-54.38
CC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C12	REAL300017246574	0	36	-1.0	-47.11	323.82	1.26	-45.85
CC1(C(NS(=O)(=O)C2=CC=C(CCCCl)C=C2)C(=O)[O-])CC1	REAL300017246575	0	41	-1.0	-58.26	361.09	7.18	-51.08
COCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246576	0	39	-1.0	-57.35	334.54	4.04	-53.31
CC1(C(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)C(=O)[O-])CC1	REAL300017246577	0	34	-1.0	-41.63	327.34	5.77	-35.86
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C(C(=O)OC)S1	REAL300017246578	0	41	-1.0	-48.37	377.39	5.55	-42.82
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246579	0	38	-1.0	-60.61	324.63	5.67	-54.94
CC1(C(NS(=O)(=O)CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300017246580	0	35	-1.0	-57.41	314.38	5.43	-51.98
CC1(C(NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C(=O)[O-])CC1	REAL300017246581	0	44	-1.0	-71.50	373.93	2.77	-68.73
CC1(C(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300017246582	0	39	-1.0	-40.29	352.04	4.74	-35.55
CC1(C(NS(=O)(=O)C2=CC(Br)=CC=C2Cl)C(=O)[O-])CC1	REAL300017246583	0	32	-1.0	-43.72	311.63	5.22	-38.50
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CN=C21	REAL300017246584	0	40	-1.0	-50.52	347.08	1.66	-48.86
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1F	REAL300017246617	0	41	-1.0	-55.09	358.52	5.87	-49.22
CC1(C(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C(=O)[O-])CC1	REAL300017246618	0	40	-1.0	-52.49	343.71	5.00	-47.49
CC1(C(NS(=O)(=O)C2=CC(F)=CC=C2Cl)C(=O)[O-])CC1	REAL300017246619	0	32	-1.0	-43.67	299.02	4.86	-38.81
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246620	0	51	-1.0	-59.05	412.55	7.64	-51.41
CC1(C(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C(=O)[O-])CC1	REAL300017246621	0	35	-1.0	-58.73	330.18	5.94	-52.79
CC1(C(NS(=O)(=O)C2=CC=C(C#N)C=C2Cl)C(=O)[O-])CC1	REAL300017246622	0	33	-1.0	-40.65	313.60	5.36	-35.29
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Cl	REAL300017246623	0	39	-1.0	-54.27	351.65	3.59	-50.68
CC1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CC=C2O1	REAL300017246624	0	40	-1.0	-54.78	334.29	4.86	-49.92
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Cl	REAL300017246625	0	36	-1.0	-42.94	341.28	4.79	-38.15
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246626	0	44	-1.0	-43.92	337.26	7.59	-36.33
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246627	0	44	-1.0	-44.38	370.47	3.32	-41.06
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CS1	REAL300017246628	0	35	-1.0	-61.63	327.08	4.00	-57.63
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246629	0	41	-1.0	-60.52	357.27	6.61	-53.91
CC1(C(NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C(=O)[O-])CC1	REAL300017246630	0	43	-1.0	-55.37	384.95	7.68	-47.69
CC1(C(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C(=O)[O-])CC1	REAL300017246631	0	38	-1.0	-49.66	351.42	4.97	-44.69
CC1(C(NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C(=O)[O-])CC1	REAL300017246632	0	38	-1.0	-48.20	363.29	5.65	-42.55
COC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1C	REAL300017246633	0	41	-1.0	-48.76	346.45	5.68	-43.08
CC1(C(NS(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246634	0	34	-1.0	-53.47	329.05	5.62	-47.85
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246635	0	36	-1.0	-50.57	335.61	5.07	-45.50
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246636	0	44	-1.0	-49.19	362.38	4.85	-44.34
CCOC(=O)N1CCC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)CC1	REAL300017246637	0	46	-1.0	-60.67	369.25	4.12	-56.55
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C2)=CO1	REAL300017246638	0	41	-1.0	-60.63	353.75	3.33	-57.30
CC1(C(NS(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)C(=O)[O-])CC1	REAL300017246639	0	31	-1.0	-47.87	304.47	3.35	-44.52
CC1(C(NS(=O)(=O)C2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300017246640	0	35	-1.0	-52.60	314.75	4.68	-47.92
CC1(C(NS(=O)(=O)C2=CC=C3OCOC3=C2)C(=O)[O-])CC1	REAL300017246641	0	35	-1.0	-57.09	305.57	2.98	-54.11
CC1(C(NS(=O)(=O)C2=CC=C3OCCCC3=C2)C(=O)[O-])CC1	REAL300017246642	0	40	-1.0	-47.20	338.69	4.93	-42.27
COC1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246643	0	36	-1.0	-47.49	319.96	3.90	-43.59
COC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC=CC=C2S1	REAL300017246644	0	41	-1.0	-58.04	364.67	6.73	-51.31
COC(=O)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246645	0	41	-1.0	-61.82	356.50	5.78	-56.04
CC1(C(NS(=O)(=O)C2CC3=CC=CC=C3C2)C(=O)[O-])CC1	REAL300017246646	0	39	-1.0	-59.14	319.27	5.97	-53.17
CC1=CC=C(N2C=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=N2)C=C1	REAL300017246647	0	42	-1.0	-54.14	362.25	6.12	-48.02
CC1(C(NS(=O)(=O)[C@@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300017246648	0	50	-1.0	-57.42	415.10	6.29	-51.13
CC1(C(NS(=O)(=O)[C@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300017246649	0	50	-1.0	-61.84	410.87	6.01	-55.83
CC1(C(NS(=O)(=O)C2CN(C(=O)OCC3=CC=CC=C3)C2)C(=O)[O-])CC1	REAL300017246650	0	47	-1.0	-58.17	398.16	5.45	-52.72
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300017246651	0	34	-1.0	-41.81	323.09	4.63	-37.18
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C21	REAL300017246652	0	43	-1.0	-78.06	360.03	5.44	-72.62
CC1(C(NS(=O)(=O)C2=CC=CC(Cl)=C2Br)C(=O)[O-])CC1	REAL300017246653	0	32	-1.0	-44.75	313.91	5.56	-39.19
CC1(C(NS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C(=O)[O-])CC1	REAL300017246654	0	32	-1.0	-40.63	320.18	5.36	-35.27
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246655	0	42	-1.0	-58.84	337.53	5.86	-52.98
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1C#N	REAL300017246656	0	36	-1.0	-52.52	317.30	5.16	-47.36
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1F	REAL300017246657	0	38	-1.0	-45.92	343.37	4.98	-40.94
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246658	0	36	-1.0	-42.14	313.95	4.88	-37.26
COC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246659	0	39	-1.0	-60.60	319.00	4.35	-56.25
CC1(C(NS(=O)(=O)C2=CC=C(C#N)C(Br)=C2)C(=O)[O-])CC1	REAL300017246660	0	33	-1.0	-50.21	319.99	5.22	-44.99
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Cl	REAL300017246661	0	39	-1.0	-41.90	344.05	4.97	-36.93
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300017246662	0	38	-1.0	-40.25	356.87	5.05	-35.20
CC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1F	REAL300017246663	0	39	-1.0	-47.70	346.18	3.29	-44.41
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1OC	REAL300017246664	0	40	-1.0	-45.67	354.47	4.16	-41.51
CC1(C(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C(=O)[O-])CC1	REAL300017246665	0	36	-1.0	-55.10	322.83	3.91	-51.19
CC1(C(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C(=O)[O-])CC1	REAL300017246666	0	35	-1.0	-49.07	323.83	5.38	-43.69
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C	REAL300017246667	0	43	-1.0	-57.55	368.69	1.36	-56.19
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CC=C2S1	REAL300017246668	0	44	-1.0	-54.28	394.13	7.36	-46.92
CC1(C(NS(=O)(=O)C2=CC=CC(CC#N)=C2)C(=O)[O-])CC1	REAL300017246669	0	36	-1.0	-63.79	321.73	5.48	-58.31
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(Br)=C1	REAL300017246670	0	36	-1.0	-54.11	322.92	4.26	-49.85
CC1(C(NS(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C(=O)[O-])CC1	REAL300017246671	0	37	-1.0	-55.95	340.83	-0.09	-56.04
CC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1)OCO2	REAL300017246672	0	38	-1.0	-42.73	323.43	3.91	-38.82
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246673	0	38	-1.0	-51.67	321.70	5.66	-46.01
CC1(C(NS(=O)(=O)C2=CC=C(Cl)C=C2Cl)C(=O)[O-])CC1	REAL300017246674	0	32	-1.0	-40.00	304.18	5.32	-34.68
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246675	0	38	-1.0	-41.75	311.25	6.01	-35.74
CC1(C(NS(=O)(=O)C2=CC(Cl)=CC=C2Br)C(=O)[O-])CC1	REAL300017246676	0	32	-1.0	-42.23	315.85	5.62	-36.61
COC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1)OCC(=O)N2	REAL300017246677	0	42	-1.0	-44.79	350.53	1.38	-43.41
CC1(C(NS(=O)(=O)C2=CC=C(C#N)S2)C(=O)[O-])CC1	REAL300017246678	0	30	-1.0	-39.87	296.60	3.85	-36.02
CC1(C(NS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)[O-])CC1	REAL300017246679	0	33	-1.0	-50.33	302.62	2.85	-47.48
COC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246680	0	35	-1.0	-53.75	302.01	1.73	-52.02
CC1(C(NS(=O)(=O)C2=CC=CC(Br)=C2F)C(=O)[O-])CC1	REAL300017246681	0	32	-1.0	-47.47	299.11	4.56	-42.91
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1OC	REAL300017246682	0	42	-1.0	-55.72	359.39	4.98	-50.74
CC1(C(NS(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C(=O)[O-])CC1	REAL300017246683	0	36	-1.0	-57.93	330.78	1.60	-56.33
CCOC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246684	0	39	-1.0	-55.91	330.82	4.54	-51.37
CC1(C(NS(=O)(=O)C2=C3OC(C)(C)CC3=CC=C2)C(=O)[O-])CC1	REAL300017246685	0	43	-1.0	-52.28	361.06	5.58	-46.70
CC1(C(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)C(=O)[O-])CC1	REAL300017246686	0	36	-1.0	-38.88	340.72	5.47	-33.41
CC1(C(NS(=O)(=O)C2=CC=CC(Cl)=C2C#N)C(=O)[O-])CC1	REAL300017246724	0	33	-1.0	-51.40	316.15	5.09	-46.31
CC1=CC=C(C#N)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246725	0	36	-1.0	-42.19	317.94	5.64	-36.55
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(=O)N(C)C	REAL300017246726	0	46	-1.0	-58.53	381.79	3.83	-54.70
CC1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CC(Cl)=C2O1	REAL300017246727	0	40	-1.0	-45.06	357.84	5.41	-39.65
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1[N+](=O)[O-]	REAL300017246728	0	37	-1.0	-50.27	321.57	5.45	-44.82
CC1=CC=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246729	0	35	-1.0	-44.59	320.35	5.78	-38.81
COC(=O)C1=COC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246730	0	35	-1.0	-46.83	323.91	3.04	-43.79
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=N1	REAL300017246731	0	43	-1.0	-60.15	365.94	5.03	-55.12
CC1(C(NS(=O)(=O)C2=CN=C3C=CSC3=C2)C(=O)[O-])CC1	REAL300017246732	0	34	-1.0	-47.55	316.98	3.79	-43.76
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246733	0	42	-1.0	-66.14	346.91	4.54	-61.60
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)SC=C1	REAL300017246734	0	33	-1.0	-48.53	302.42	2.57	-45.96
CC(=O)NC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1C	REAL300017246735	0	42	-1.0	-64.15	354.12	4.13	-60.02
CC1(C(NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-])CC1	REAL300017246736	0	34	-1.0	-59.51	302.21	3.91	-55.60
CC1(C(NS(=O)(=O)CC2=NOC3=CC=CC=C32)C(=O)[O-])CC1	REAL300017246737	0	37	-1.0	-64.76	324.34	4.32	-60.44
CC1(C(NS(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C(=O)[O-])CC1	REAL300017246738	0	38	-1.0	-49.68	329.69	1.93	-47.75
CN1CCCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C21	REAL300017246739	0	44	-1.0	-48.30	358.42	4.83	-43.47
CC1(C(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C(=O)[O-])CC1	REAL300017246740	0	34	-1.0	-42.11	318.77	3.53	-38.58
CC1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246741	0	35	-1.0	-47.06	311.74	5.27	-41.79
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246742	0	40	-1.0	-52.86	333.50	4.95	-47.91
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CN=C1Cl	REAL300017246743	0	34	-1.0	-41.85	314.71	3.50	-38.35
CC1(C(NS(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C(=O)[O-])CC1	REAL300017246744	0	38	-1.0	-55.89	328.76	3.32	-52.57
CC1(C(NS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246745	0	31	-1.0	-49.11	298.81	4.05	-45.06
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300017246746	0	41	-1.0	-45.02	357.06	5.94	-39.08
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1C#N	REAL300017246747	0	36	-1.0	-51.99	319.79	5.17	-46.82
COC1=CC(OC)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246748	0	40	-1.0	-58.26	338.51	2.93	-55.33
CC1(C(NS(=O)(=O)C2=CC(C#N)=CC=C2Cl)C(=O)[O-])CC1	REAL300017246749	0	33	-1.0	-43.81	313.39	5.18	-38.63
CN1C=NC2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CC=C21	REAL300017246750	0	38	-1.0	-59.53	325.60	5.62	-53.91
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=NC=CC=C2C=C1	REAL300017246751	0	40	-1.0	-69.69	331.40	6.26	-63.43
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1CC	REAL300017246752	0	44	-1.0	-56.44	354.42	6.84	-49.60
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246753	0	40	-1.0	-41.89	335.12	6.64	-35.25
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1Cl	REAL300017246754	0	35	-1.0	-46.90	314.53	5.51	-41.39
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C(C)O1	REAL300017246755	0	38	-1.0	-42.72	341.49	3.87	-38.85
CC1=C(C)SC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246756	0	35	-1.0	-45.01	316.28	4.65	-40.36
CC1=CC=CC(F)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246757	0	35	-1.0	-62.18	298.04	5.29	-56.89
CC1(C(NS(=O)(=O)C2=CC(Cl)=CN=C2N)C(=O)[O-])CC1	REAL300017246758	0	33	-1.0	-40.96	304.90	2.22	-38.74
CCC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300017246759	0	34	-1.0	-52.72	308.31	2.89	-49.83
CC1(C(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C(=O)[O-])CC1	REAL300017246760	0	38	-1.0	-52.92	330.10	5.93	-46.99
COC(=O)C1=NSC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246761	0	34	-1.0	-47.19	311.60	2.92	-44.27
COC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)SC=N1	REAL300017246762	1	34	-1.0	-44.10	315.70	2.36	-41.74
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC(C)=C1F	REAL300017246763	0	38	-1.0	-52.64	326.57	5.66	-46.98
CC1(C(NS(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C(=O)[O-])CC1	REAL300017246764	0	40	-1.0	-62.23	339.08	2.77	-59.46
CC1(C(NS(=O)(=O)N2CCC3(CC2)OCCO3)C(=O)[O-])CC1	REAL300017246765	0	43	-1.0	-44.94	348.90	2.40	-42.54
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CN1C	REAL300017246766	0	39	-1.0	-55.74	339.24	4.38	-51.36
CC1(C(NS(=O)(=O)C2=CN=CC(Cl)=C2)C(=O)[O-])CC1	REAL300017246767	0	31	-1.0	-50.59	289.19	2.95	-47.64
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1F	REAL300017246768	0	35	-1.0	-48.85	298.75	4.60	-44.25
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246769	0	43	-1.0	-53.55	359.99	6.11	-47.44
CC1(C(NS(=O)(=O)CC2=CC(Cl)=CC=C2F)C(=O)[O-])CC1	REAL300017246770	0	35	-1.0	-45.39	329.67	5.52	-39.87
CC1(C(NS(=O)(=O)CC2=CC=C(F)C(Cl)=C2)C(=O)[O-])CC1	REAL300017246771	0	35	-1.0	-41.28	330.22	5.54	-35.74
CC1(C(NS(=O)(=O)C2=C(F)C=CC=C2Cl)C(=O)[O-])CC1	REAL300017246772	0	32	-1.0	-59.28	292.14	5.02	-54.26
CC1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246773	0	35	-1.0	-52.85	307.36	5.05	-47.80
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CN=C1Cl	REAL300017246774	0	35	-1.0	-48.43	318.24	2.24	-46.19
CC1(C(NS(=O)(=O)CC2=CC(C#N)=CC=C2F)C(=O)[O-])CC1	REAL300017246775	0	36	-1.0	-45.14	332.20	5.37	-39.77
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=N1	REAL300017246776	0	37	-1.0	-53.01	328.16	3.08	-49.93
CC1(C(NS(=O)(=O)C2=C(Cl)C=CN=C2Cl)C(=O)[O-])CC1	REAL300017246777	0	31	-1.0	-45.87	300.09	3.61	-42.26
COCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246778	0	39	-1.0	-56.26	332.46	4.00	-52.26
COC1=CC(C#N)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246779	0	37	-1.0	-41.60	320.62	4.54	-37.06
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246780	0	38	-1.0	-53.34	351.04	5.47	-47.87
CC1(C(NS(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C(=O)[O-])CC1	REAL300017246781	0	35	-1.0	-40.67	315.98	1.97	-38.70
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=N1	REAL300017246782	0	38	-1.0	-52.95	326.46	1.87	-51.08
CC1(C(NS(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C(=O)[O-])CC1	REAL300017246783	0	41	-1.0	-69.06	364.54	2.52	-66.54
CC(=O)NC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1F	REAL300017246784	0	39	-1.0	-65.12	339.35	3.27	-61.85
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C21	REAL300017246785	0	46	-1.0	-75.52	371.14	5.90	-69.62
CC1(C(NS(=O)(=O)C2=CC=CC3=C2OCO3)C(=O)[O-])CC1	REAL300017246786	0	35	-1.0	-47.47	304.37	2.91	-44.56
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246787	0	38	-1.0	-40.61	336.45	6.27	-34.34
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246788	0	42	-1.0	-53.71	357.93	1.88	-51.83
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C2CC1	REAL300017246789	0	49	-1.0	-52.55	397.23	6.26	-46.29
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(F)(F)F	REAL300017246790	0	41	-1.0	-45.14	368.99	5.75	-39.39
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246791	0	41	-1.0	-46.65	350.54	6.53	-40.12
CC1(C(NS(=O)(=O)C2=CSC3=CC=CC=C23)C(=O)[O-])CC1	REAL300017246792	0	35	-1.0	-45.96	319.11	5.74	-40.22
CC1(C(NS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C(=O)[O-])CC1	REAL300017246793	0	35	-1.0	-57.20	317.08	5.71	-51.49
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246794	0	46	-1.0	-60.88	391.01	2.51	-58.37
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246795	0	45	-1.0	-45.77	376.51	5.72	-40.05
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1C	REAL300017246796	0	44	-1.0	-53.57	372.21	6.43	-47.14
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246797	0	44	-1.0	-61.91	378.33	6.68	-55.23
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1OC	REAL300017246798	0	43	-1.0	-56.71	375.63	4.18	-52.53
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C(F)C=C1C	REAL300017246799	0	44	-1.0	-45.08	371.01	6.05	-39.03
CC1(C(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)C(=O)[O-])CC1	REAL300017246800	0	38	-1.0	-56.22	339.22	6.28	-49.94
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246801	0	41	-1.0	-46.32	355.14	5.54	-40.78
CC1(C(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C(=O)[O-])CC1	REAL300017246802	0	42	-1.0	-56.11	351.58	7.68	-48.43
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246803	0	46	-1.0	-57.23	398.69	2.12	-55.11
CC1(C(NS(=O)(=O)CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300017246804	0	35	-1.0	-57.12	317.59	5.55	-51.57
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CN1C	REAL300017246805	0	44	-1.0	-54.02	380.15	5.49	-48.53
CC1(C(NS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C(=O)[O-])CC1	REAL300017246806	0	36	-1.0	-59.78	323.26	5.19	-54.59
CC1(C(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)C(=O)[O-])CC1	REAL300017246807	0	35	-1.0	-54.20	311.53	5.20	-49.00
CC1=NC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246808	0	34	-1.0	-42.78	310.02	3.87	-38.91
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C(Br)N1C	REAL300017246809	0	35	-1.0	-53.05	325.60	3.75	-49.30
CC1(C(NS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246810	0	33	-1.0	-48.23	300.82	3.12	-45.11
COC(=O)C(C)(C)CS(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246811	0	40	-1.0	-54.64	326.13	4.20	-50.44
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246812	0	45	-1.0	-60.85	373.42	5.18	-55.67
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(F)=C1	REAL300017246813	0	38	-1.0	-45.84	336.15	5.02	-40.82
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246814	0	43	-1.0	-51.59	366.39	3.88	-47.71
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(=O)OC(C)C	REAL300017246815	0	47	-1.0	-53.19	390.29	7.09	-46.10
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246816	0	44	-1.0	-58.86	381.05	3.48	-55.38
COC(=O)C1(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)CCCC1	REAL300017246817	0	44	-1.0	-43.23	355.74	5.40	-37.83
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246818	0	39	-1.0	-54.11	351.34	4.55	-49.56
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1C(F)(F)F	REAL300017246819	0	38	-1.0	-51.35	331.79	5.78	-45.57
CC1(C(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C(=O)[O-])CC1	REAL300017246820	0	43	-1.0	-54.20	382.76	7.63	-46.57
COC(=O)CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246821	0	41	-1.0	-62.34	356.43	5.75	-56.59
CC1(C(NS(=O)(=O)CC23CCC(CC2)C3)C(=O)[O-])CC1	REAL300017246822	0	42	-1.0	-43.57	332.50	5.67	-37.90
CC1(C(NS(=O)(=O)CCC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300017246823	0	38	-1.0	-59.78	340.83	6.25	-53.53
COC(=O)C1(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)CCC1	REAL300017246824	0	41	-1.0	-63.02	346.82	4.61	-58.41
CC1(C(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)C(=O)[O-])CC1	REAL300017246825	0	32	-1.0	-41.36	317.54	4.50	-36.86
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246826	0	45	-1.0	-57.05	389.39	4.69	-52.36
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246827	0	48	-1.0	-56.00	409.10	5.56	-50.44
COC(=O)C1(CS(=O)(=O)NC(C(=O)[O-])C2(C)CC2)CCCCC1	REAL300017246828	0	47	-1.0	-62.73	370.61	5.77	-56.96
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246829	0	40	-1.0	-63.78	348.24	5.37	-58.41
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=N1	REAL300017246830	1	34	-1.0	-53.14	313.50	3.21	-49.93
CC1(C(NS(=O)(=O)C2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300017246831	0	36	-1.0	-49.98	305.10	3.74	-46.24
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC(C(=O)[O-])C1(C)CC1)=C2	REAL300017246832	0	45	-1.0	-52.18	383.87	8.12	-44.06
CC1(C(NS(=O)(=O)CC2=CC=CC(Cl)=C2Br)C(=O)[O-])CC1	REAL300017246833	0	35	-1.0	-43.73	337.69	5.95	-37.78
CC1(C(NS(=O)(=O)CC2=CC=CC(F)=C2Br)C(=O)[O-])CC1	REAL300017246834	0	35	-1.0	-44.25	328.56	5.54	-38.71
COC1=CC=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1F	REAL300017246835	0	36	-1.0	-63.35	324.76	4.46	-58.89
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246836	0	42	-1.0	-58.33	353.98	6.63	-51.70
CC(C)(CCS(=O)(=O)NC(C(=O)[O-])C1(C)CC1)C1CC1	REAL300017246837	0	44	-1.0	-41.41	346.57	5.69	-35.72
CC1(C(NS(=O)(=O)C=CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300017246838	0	36	-1.0	-56.22	326.91	5.98	-50.24
CC1(C(NS(=O)(=O)CCCC2=CC=CC=C2)C(=O)[O-])CC1	REAL300017246839	0	41	-1.0	-59.25	343.98	6.55	-52.70
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C(C(N)=O)O1	REAL300017246841	0	36	-1.0	-44.84	323.68	-0.08	-44.92
CCCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246845	0	41	-1.0	-44.50	336.77	6.85	-37.65
CC1(C(NS(=O)(=O)CC2=NOC3=C2CCCC3)C(=O)[O-])CC1	REAL300017246846	0	41	-1.0	-47.99	344.41	4.95	-43.04
CC1(C(NS(=O)(=O)C2=CSC=C2C(F)F)C(=O)[O-])CC1	REAL300017246847	0	32	-1.0	-47.49	295.28	4.65	-42.84
CC1(C(NS(=O)(=O)CCC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300017246848	0	38	-1.0	-57.21	331.04	5.89	-51.32
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246849	0	48	-1.0	-49.17	401.26	7.14	-42.03
CC1(C(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)C(=O)[O-])CC1	REAL300017246850	0	37	-1.0	-52.06	318.62	4.93	-47.13
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CC=C21	REAL300017246851	0	52	-1.0	-66.62	405.03	6.74	-59.88
COC(=O)C1=CN(C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246852	0	39	-1.0	-50.73	345.47	4.46	-46.27
CC1(C(NS(=O)(=O)C2=CC=C3NC(=O)CC(C)(C)C3=C2)C(=O)[O-])CC1	REAL300017246853	0	46	-1.0	-56.46	375.05	4.41	-52.05
CC1(C(NS(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C(=O)[O-])CC1	REAL300017246854	0	47	-1.0	-66.96	390.18	6.97	-59.99
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C21	REAL300017246855	0	46	-1.0	-78.22	380.31	6.25	-71.97
CC1(C(NS(=O)(=O)C2=CN(C3CCC3)N=C2)C(=O)[O-])CC1	REAL300017246856	0	39	-1.0	-49.28	334.89	3.99	-45.29
CC1(C(NS(=O)(=O)C2=CC=NN2C2CCC2)C(=O)[O-])CC1	REAL300017246857	0	39	-1.0	-45.31	330.54	4.11	-41.20
CC1(C(NS(=O)(=O)C2=CC=NN2CC2CCC2)C(=O)[O-])CC1	REAL300017246858	0	42	-1.0	-51.96	348.13	4.59	-47.37
CC1(C(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C(=O)[O-])CC1	REAL300017246866	0	38	-1.0	-48.15	351.83	5.21	-42.94
CC1(C(NS(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C(=O)[O-])CC1	REAL300017246867	0	38	-1.0	-55.04	330.22	1.55	-53.49
CC1(C(NS(=O)(=O)C2=C(Br)C=CO2)C(=O)[O-])CC1	REAL300017246868	1	29	-1.0	-44.08	284.70	3.03	-41.05
CC1(C(NS(=O)(=O)C2=CN=C3CCCCN23)C(=O)[O-])CC1	REAL300017246869	0	39	-1.0	-48.61	324.19	4.23	-44.38
COC1=C(F)C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1F	REAL300017246870	0	36	-1.0	-50.56	325.40	3.87	-46.69
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1F	REAL300017246871	0	36	-1.0	-43.38	314.09	3.32	-40.06
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(C)C	REAL300017246872	0	57	-1.0	-53.57	451.81	8.88	-44.69
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C	REAL300017246873	0	48	-1.0	-44.65	384.78	6.44	-38.21
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246874	0	42	-1.0	-45.86	357.34	5.81	-40.05
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(C)C	REAL300017246875	0	55	-1.0	-58.47	444.94	6.79	-51.68
CC1=CSC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246876	0	35	-1.0	-54.37	300.90	4.88	-49.49
CC1CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=C2O1	REAL300017246877	0	40	-1.0	-51.14	335.07	5.06	-46.08
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300017246878	0	40	-1.0	-45.47	353.66	3.97	-41.50
CC1(C(NS(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C(=O)[O-])CC1	REAL300017246879	0	40	-1.0	-44.37	352.30	6.50	-37.87
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246880	0	36	-1.0	-57.54	317.40	4.92	-52.62
CC1=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C(C)S1	REAL300017246881	0	35	-1.0	-56.02	319.03	5.58	-50.44
CC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(Br)=C1	REAL300017246882	0	35	-1.0	-44.87	330.06	6.31	-38.56
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C21	REAL300017246883	0	49	-1.0	-74.91	389.50	6.42	-68.49
CC1(C(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C(=O)[O-])CC1	REAL300017246884	0	38	-1.0	-59.77	329.58	4.84	-54.93
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C21	REAL300017246885	0	46	-1.0	-65.65	376.78	5.88	-59.77
CC1(C(NS(=O)(=O)C2=CSC=C2Cl)C(=O)[O-])CC1	REAL300017246886	0	29	-1.0	-43.48	276.34	3.30	-40.18
CN1N=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246887	0	32	-1.0	-43.86	305.93	2.48	-41.38
CC1(C(NS(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300017246888	0	34	-1.0	-49.73	311.31	3.41	-46.32
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246889	0	37	-1.0	-64.54	317.78	3.86	-60.68
CC1(C(NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C(=O)[O-])CC1	REAL300017246890	0	41	-1.0	-54.56	322.07	4.27	-50.29
CC1(C(NS(=O)(=O)C2=CNC3=CC(Br)=CC=C32)C(=O)[O-])CC1	REAL300017246891	0	36	-1.0	-47.39	327.25	4.39	-43.00
CC1(C(NS(=O)(=O)C2=CC3=NON=C3C=C2)C(=O)[O-])CC1	REAL300017246892	0	33	-1.0	-51.35	292.10	3.04	-48.31
CC1(C(NS(=O)(=O)C2=CC3=CC=CC=C3S2)C(=O)[O-])CC1	REAL300017246893	0	35	-1.0	-49.03	323.83	5.74	-43.29
CC1(C(NS(=O)(=O)C2=CNC3=C(Br)C=CC=C23)C(=O)[O-])CC1	REAL300017246894	0	36	-1.0	-45.86	326.56	4.34	-41.52
CC1(C(NS(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C(=O)[O-])CC1	REAL300017246895	0	35	-1.0	-57.00	329.87	4.02	-52.98
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246896	0	39	-1.0	-45.94	336.00	3.99	-41.95
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1F	REAL300017246897	0	41	-1.0	-51.99	331.04	6.52	-45.47
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1OC	REAL300017246898	0	40	-1.0	-51.13	340.57	4.15	-46.98
CC1(C(NS(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C(=O)[O-])CC1	REAL300017246899	0	41	-1.0	-65.73	345.66	1.48	-64.25
CC1(C(NS(=O)(=O)C2=CC=C(Br)C(C#N)=C2)C(=O)[O-])CC1	REAL300017246900	0	33	-1.0	-54.33	317.87	5.16	-49.17
CC1(C(NS(=O)(=O)C2=COC3=CC=CC=C23)C(=O)[O-])CC1	REAL300017246901	0	35	-1.0	-47.05	301.69	4.06	-42.99
COC1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1OC	REAL300017246902	0	40	-1.0	-60.50	335.36	4.55	-55.95
COC(=O)C1=C(Br)OC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246903	1	35	-1.0	-45.43	343.63	3.68	-41.75
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C2CCCC2)=N1	REAL300017246904	0	45	-1.0	-48.68	372.13	5.22	-43.46
CC1(C(NS(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C(=O)[O-])CC1	REAL300017246905	0	36	-1.0	-56.41	326.38	6.13	-50.28
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C2CC2)=N1	REAL300017246907	0	39	-1.0	-48.70	340.32	4.23	-44.47
CC1(C(NC(=O)CC2=C(Cl)C=CC=C2Cl)C(=O)[O-])CC1	REAL300017246908	0	34	-1.0	-55.44	310.41	8.32	-47.12
CC1(C(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)C(=O)[O-])CC1	REAL300017246909	0	36	-1.0	-57.91	318.74	3.90	-54.01
CC1(C(NS(=O)(=O)C2=CNC3=CC=C(Br)C=C32)C(=O)[O-])CC1	REAL300017246910	0	36	-1.0	-56.27	333.70	4.88	-51.39
CC1(C(NS(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(=O)[O-])CC1	REAL300017246911	0	35	-1.0	-50.16	313.89	3.49	-46.67
CN1N=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=CC=C21	REAL300017246912	0	37	-1.0	-60.04	322.64	2.86	-57.18
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1Br	REAL300017246914	0	38	-1.0	-41.62	337.59	6.35	-35.27
CC1(C(NS(=O)(=O)N2CCCC(C)(C)C2)C(=O)[O-])CC1	REAL300017246915	0	43	-1.0	-55.37	334.58	4.42	-50.95
CC1(C(NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C(=O)[O-])CC1	REAL300017246916	0	38	-1.0	-42.45	348.19	5.53	-36.92
CC1(C(NS(=O)(=O)C2=C3C=COC3=C(F)C=C2)C(=O)[O-])CC1	REAL300017246917	0	35	-1.0	-45.02	314.42	4.51	-40.51
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C2CCC2)=N1	REAL300017246918	0	42	-1.0	-48.47	355.42	4.72	-43.75
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246919	0	50	-1.0	-59.62	384.73	7.83	-51.79
CC1(C(NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300017246920	0	38	-1.0	-52.00	348.53	6.14	-45.86
CC1(C(NS(=O)(=O)C2=C(Cl)SC=C2)C(=O)[O-])CC1	REAL300017246921	0	29	-1.0	-42.56	276.71	3.40	-39.16
CC1(C(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)C(=O)[O-])CC1	REAL300017246922	0	42	-1.0	-52.85	352.11	4.93	-47.92
CC1(C(NS(=O)(=O)C2=C(C3CC3)C=CS2)C(=O)[O-])CC1	REAL300017246923	0	36	-1.0	-45.62	320.89	5.55	-40.07
CC1(C(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C(=O)[O-])CC1	REAL300017246924	0	43	-1.0	-41.81	361.60	7.10	-34.71
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246925	0	45	-1.0	-64.47	369.31	2.72	-61.75
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=NC=CC=C2C=C1	REAL300017246926	0	41	-1.0	-74.68	343.07	5.71	-68.97
CCCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246927	0	41	-1.0	-56.28	343.87	6.53	-49.75
COC(=O)C1=NN(C)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246928	0	38	-1.0	-47.11	339.33	2.67	-44.44
CC1(C(NS(=O)(=O)C2=CC(F)=CC=C2C#N)C(=O)[O-])CC1	REAL300017246929	0	33	-1.0	-47.37	307.19	4.72	-42.65
CN1N=C2CCCC2=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246930	0	39	-1.0	-47.39	329.78	3.79	-43.60
CC1(C(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246931	0	36	-1.0	-38.39	340.50	5.63	-32.76
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)C=C2C=C1	REAL300017246932	0	44	-1.0	-55.86	380.18	7.22	-48.64
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246933	0	41	-1.0	-49.74	320.85	3.91	-45.83
CC(C)(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=N1	REAL300017246934	0	41	-1.0	-53.30	342.62	4.00	-49.30
CC1(C(NS(=O)(=O)C2=CNN=C2C2CCC2)C(=O)[O-])CC1	REAL300017246935	0	39	-1.0	-46.74	332.45	3.40	-43.34
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CN=C1C(F)(F)F	REAL300017246936	0	37	-1.0	-48.54	328.32	4.08	-44.46
CC1(C(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300017246937	0	35	-1.0	-50.66	322.86	5.35	-45.31
CC1(C(NS(=O)(=O)C2=CC=C(CF)C=C2)C(=O)[O-])CC1	REAL300017246938	0	35	-1.0	-56.29	305.37	5.09	-51.20
CC1(C(NS(=O)(=O)C2=C(C(F)(F)F)SC=C2)C(=O)[O-])CC1	REAL300017246939	0	32	-1.0	-44.65	303.42	4.84	-39.81
CC1(C(NS(=O)(=O)C2=CSC(C(F)(F)F)=C2)C(=O)[O-])CC1	REAL300017246940	0	32	-1.0	-53.74	309.37	4.38	-49.36
CC1(C(NS(=O)(=O)N2CCC(F)(F)CC2)C(=O)[O-])CC1	REAL300017246941	0	37	-1.0	-41.56	308.77	3.51	-38.05
CC1(C(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C(=O)[O-])CC1	REAL300017246942	0	35	-1.0	-48.49	329.26	5.69	-42.80
CC1(C(NS(=O)(=O)C2=CC=CC=C2C(F)F)C(=O)[O-])CC1	REAL300017246943	0	35	-1.0	-49.00	299.53	5.73	-43.27
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246944	0	43	-1.0	-60.46	364.05	6.35	-54.11
CC1(C(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)C(=O)[O-])CC1	REAL300017246945	0	43	-1.0	-58.38	349.40	7.45	-50.93
CC1(C(NS(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)C(=O)[O-])CC1	REAL300017246946	0	42	-1.0	-66.95	359.73	6.00	-60.95
CC1(C(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C(=O)[O-])CC1	REAL300017246947	0	38	-1.0	-44.29	342.37	5.43	-38.86
CC1(C(NS(=O)(=O)N2CC3=CC=CC=C3C2)C(=O)[O-])CC1	REAL300017246948	0	38	-1.0	-54.09	318.57	4.68	-49.41
CC1(C(NS(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C(=O)[O-])CC1	REAL300017246949	0	37	-1.0	-44.35	339.23	4.85	-39.50
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246950	0	42	-1.0	-53.24	375.74	5.10	-48.14
CC1(C(NS(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C(=O)[O-])CC1	REAL300017246951	0	41	-1.0	-56.94	358.23	4.25	-52.69
CC1(C(NS(=O)(=O)C2=CSC=C2C(F)(F)F)C(=O)[O-])CC1	REAL300017246952	0	32	-1.0	-45.84	301.12	4.75	-41.09
CC1(C(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)C(=O)[O-])CC1	REAL300017246953	0	39	-1.0	-55.25	326.61	6.37	-48.88
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=CS1	REAL300017246954	0	33	-1.0	-44.59	299.79	2.88	-41.71
CC1(C(NS(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C(=O)[O-])CC1	REAL300017246955	0	35	-1.0	-57.20	306.74	5.26	-51.94
COC(=O)C1=C(C)SC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246956	0	38	-1.0	-43.04	349.03	4.62	-38.42
CC1(C(NS(=O)(=O)C2=CC=C(C3CC3)C=C2F)C(=O)[O-])CC1	REAL300017246957	0	39	-1.0	-49.01	327.74	6.07	-42.94
CC1(C(NS(=O)(=O)C2=CC=NN2C2CCCC2)C(=O)[O-])CC1	REAL300017246958	0	42	-1.0	-46.10	349.78	4.90	-41.20
CCC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246959	0	41	-1.0	-51.83	339.60	3.90	-47.93
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1	REAL300017246960	0	41	-1.0	-60.63	350.75	1.85	-58.78
CC1(C(NS(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C(=O)[O-])CC1	REAL300017246961	0	35	-1.0	-53.39	338.01	0.79	-52.60
CN(C1CCCCCC1)S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246962	0	46	-1.0	-56.52	342.91	5.08	-51.44
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246963	0	36	-1.0	-39.28	309.89	4.48	-34.80
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C2CCOCC2)=N1	REAL300017246964	0	46	-1.0	-47.67	381.78	3.46	-44.21
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246965	0	38	-1.0	-54.12	332.69	5.85	-48.27
CC1(C(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)C(=O)[O-])CC1	REAL300017246966	0	36	-1.0	-55.44	318.84	3.90	-51.54
CC1(C(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C(=O)[O-])CC1	REAL300017246967	0	47	-1.0	-55.79	379.80	6.86	-48.93
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300017246968	0	33	-1.0	-43.42	307.88	2.74	-40.68
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=NC=CC=C12	REAL300017246969	0	43	-1.0	-63.21	344.20	6.36	-56.85
CC1(C(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)C(=O)[O-])CC1	REAL300017246970	0	40	-1.0	-55.34	339.81	4.32	-51.02
CC1(C(NS(=O)(=O)C2=CN(CCF)N=C2)C(=O)[O-])CC1	REAL300017246971	0	35	-1.0	-52.61	310.80	2.99	-49.62
CCOCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246972	0	42	-1.0	-56.69	354.25	4.95	-51.74
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246975	0	42	-1.0	-45.64	357.75	5.27	-40.37
CC1(C(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)C(=O)[O-])CC1	REAL300017246976	0	45	-1.0	-56.13	366.73	5.28	-50.85
CC1(C(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C(=O)[O-])CC1	REAL300017246977	0	43	-1.0	-53.84	366.06	7.11	-46.73
CC1(C(NS(=O)(=O)C2=CC=CC=C2CF)C(=O)[O-])CC1	REAL300017246978	0	35	-1.0	-46.74	301.00	5.18	-41.56
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC(C)=C1Br	REAL300017246979	0	38	-1.0	-52.36	335.09	6.01	-46.35
CCN1N=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1Cl	REAL300017246980	0	35	-1.0	-44.08	322.07	3.32	-40.76
CC1(C(NS(=O)(=O)C=CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300017246981	0	36	-1.0	-55.51	328.78	6.02	-49.49
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC(C(=O)[O-])C1(C)CC1)=C2	REAL300017246982	0	38	-1.0	-44.19	370.09	5.53	-38.66
CC1(C(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C(=O)[O-])CC1	REAL300017246984	0	34	-1.0	-48.10	314.05	3.12	-44.98
CC1(C(NS(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C(=O)[O-])CC1	REAL300017246985	0	37	-1.0	-63.56	337.19	5.54	-58.02
CC1(C(NS(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C(=O)[O-])CC1	REAL300017246986	0	37	-1.0	-51.99	335.62	5.38	-46.61
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C2=CC=CC=C12	REAL300017246987	0	41	-1.0	-49.44	341.33	7.27	-42.17
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246988	0	36	-1.0	-63.53	327.73	5.24	-58.29
CC1(C(NS(=O)(=O)C2=CC=C(OCCF)C=C2)C(=O)[O-])CC1	REAL300017246989	0	39	-1.0	-56.96	337.46	4.70	-52.26
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3(C)CC3)=CC=C21	REAL300017246990	0	46	-1.0	-54.41	381.49	5.76	-48.65
CC1(C(NS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C(=O)[O-])CC1	REAL300017246991	0	32	-1.0	-45.12	300.54	4.52	-40.60
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)O1	REAL300017246992	0	38	-1.0	-59.40	347.67	0.60	-58.80
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C2=CC=CC=C2)=N1	REAL300017246993	0	42	-1.0	-50.50	353.22	5.51	-44.99
CC1(C(NS(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C(=O)[O-])CC1	REAL300017246994	0	38	-1.0	-47.34	355.11	1.85	-45.49
CC1(C(NS(=O)(=O)C=CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300017246995	0	36	-1.0	-44.49	322.28	5.55	-38.94
CC1(C(NS(=O)(=O)C=CC2=CC=CC(Br)=C2)C(=O)[O-])CC1	REAL300017246996	0	36	-1.0	-54.22	331.79	6.11	-48.11
CC1(C(NS(=O)(=O)C=CC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300017246997	0	36	-1.0	-44.13	337.16	6.11	-38.02
CC1(C(NS(=O)(=O)C2=CC=C(C3CC3)S2)C(=O)[O-])CC1	REAL300017246998	0	36	-1.0	-46.41	328.81	5.61	-40.80
COC(=O)C1CCCCN1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246999	0	43	-1.0	-51.16	349.90	4.97	-46.19
CC1(C(NS(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C(=O)[O-])CC1	REAL300017247000	0	54	-1.0	-56.95	406.96	8.43	-48.52
CC1=CC=C(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1F	REAL300017247995	0	35	-1.0	-52.52	310.64	1.09	-51.43
CC1=C(Br)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1[N+](=O)[O-]	REAL300017247996	0	34	-1.0	-43.65	322.41	1.35	-42.30
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC(F)=C1F	REAL300017247997	0	35	-1.0	-44.82	325.92	0.40	-44.42
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300017247998	0	41	-1.0	-51.48	345.68	1.17	-50.31
C[C@@H](O)[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300017247999	0	47	-1.0	-56.95	340.93	1.55	-55.40
CC1=NC2=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=CC=C2C=C1	REAL300017248000	0	37	-1.0	-49.99	323.64	1.10	-48.89
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017248291	0	32	-1.0	-53.18	294.50	0.59	-52.59
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017248292	0	32	-1.0	-45.00	316.13	1.19	-43.81
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017248293	0	32	-1.0	-46.07	306.80	0.87	-45.20
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248294	0	32	-1.0	-47.03	303.04	0.94	-46.09
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248295	0	40	-1.0	-53.91	332.43	-2.18	-56.09
CSC1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248296	0	33	-1.0	-54.54	298.59	0.90	-53.64
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1Br	REAL300017248297	0	36	-1.0	-59.85	339.73	-0.66	-60.51
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017248298	0	40	-1.0	-59.27	333.12	-0.73	-60.00
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017248299	0	41	-1.0	-53.30	353.69	-0.22	-53.52
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300017248300	0	35	-1.0	-49.16	341.82	-2.13	-51.29
COC1=C(F)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1[N+](=O)[O-]	REAL300017248301	0	35	-1.0	-43.80	324.83	0.58	-43.22
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1[N+](=O)[O-]	REAL300017248302	0	39	-1.0	-53.94	355.33	-0.42	-54.36
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017248303	0	40	-1.0	-60.08	360.23	1.58	-58.50
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(OC)=C1	REAL300017248304	0	39	-1.0	-58.56	347.44	0.83	-57.73
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248305	0	32	-1.0	-47.58	305.05	1.25	-46.33
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1[N+](=O)[O-]	REAL300017248306	0	37	-1.0	-65.39	320.78	1.65	-63.74
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017248307	0	37	-1.0	-61.39	324.88	1.01	-60.38
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248308	0	45	-1.0	-59.54	396.72	-1.67	-61.21
C[C@@H](O)[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017248309	0	35	-1.0	-58.58	304.14	-3.89	-62.47
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017248310	0	39	-1.0	-52.59	341.59	0.66	-51.93
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017248311	0	34	-1.0	-51.69	309.66	-0.07	-51.76
COC1=CC(F)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(F)=C1	REAL300017248312	0	33	-1.0	-51.88	296.80	-0.80	-52.68
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(C)=C1	REAL300017248313	0	39	-1.0	-49.27	327.50	0.84	-48.43
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248314	0	37	-1.0	-55.99	336.94	-4.17	-60.16
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248315	0	38	-1.0	-53.75	334.26	1.46	-52.29
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017248316	0	33	-1.0	-43.39	300.15	-0.07	-43.46
CSC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248317	0	33	-1.0	-48.51	300.47	0.68	-47.83
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248318	0	41	-1.0	-47.27	358.39	2.04	-45.23
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300017248319	0	35	-1.0	-50.32	323.47	-0.30	-50.62
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248320	0	39	-1.0	-62.39	342.40	-0.59	-62.98
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017248321	0	35	-1.0	-55.27	323.72	1.46	-53.81
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248322	0	40	-1.0	-52.35	329.28	1.45	-50.90
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017248323	0	28	-1.0	-44.60	287.69	-1.06	-45.66
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017248324	0	35	-1.0	-53.13	305.71	-0.56	-53.69
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300017248325	0	34	-1.0	-50.43	297.63	0.18	-50.25
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017248326	0	41	-1.0	-60.74	359.38	2.29	-58.45
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017248327	0	29	-1.0	-57.69	292.97	0.40	-57.29
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(F)(F)F	REAL300017248328	0	35	-1.0	-47.56	315.76	1.27	-46.29
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017248329	0	35	-1.0	-48.95	334.43	0.50	-48.45
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C12	REAL300017248330	0	37	-1.0	-47.53	327.70	-0.54	-48.07
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017248331	0	32	-1.0	-58.24	314.67	1.63	-56.61
CC1=NOC2=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C12	REAL300017248332	0	33	-1.0	-48.72	300.12	-3.39	-52.11
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017248333	0	38	-1.0	-60.26	345.97	3.12	-57.14
COCC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248334	0	36	-1.0	-59.70	320.87	-0.57	-60.27
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017248335	0	31	-1.0	-50.70	307.23	1.21	-49.49
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C(C(=O)OC)S1	REAL300017248336	0	38	-1.0	-55.13	356.72	0.93	-54.20
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248337	0	35	-1.0	-54.91	311.78	1.29	-53.62
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017248338	0	32	-1.0	-52.79	298.47	0.92	-51.87
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017248339	0	41	-1.0	-75.12	362.31	-1.77	-76.89
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017248340	0	36	-1.0	-52.36	330.98	0.26	-52.10
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017248341	0	29	-1.0	-48.06	295.88	0.92	-47.14
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1Br	REAL300017248342	0	37	-1.0	-53.46	340.66	-0.42	-53.88
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017248343	0	37	-1.0	-53.80	335.48	-2.90	-56.70
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC=C1F	REAL300017248379	0	38	-1.0	-58.89	346.93	1.31	-57.58
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017248380	0	37	-1.0	-52.51	326.81	0.48	-52.03
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017248381	0	29	-1.0	-57.20	282.09	0.85	-56.35
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248382	0	48	-1.0	-60.95	393.19	2.85	-58.10
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017248383	0	32	-1.0	-60.75	315.11	1.89	-58.86
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017248384	0	30	-1.0	-46.63	295.37	0.69	-45.94
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1Cl	REAL300017248385	0	36	-1.0	-51.06	337.89	-0.73	-51.79
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017248386	0	37	-1.0	-49.17	317.23	0.25	-48.92
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1Cl	REAL300017248387	0	33	-1.0	-56.50	321.09	0.66	-55.84
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248388	0	41	-1.0	-49.05	316.36	2.90	-46.15
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248389	0	41	-1.0	-64.91	350.60	-1.40	-66.31
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CS1	REAL300017248390	0	32	-1.0	-63.88	312.01	-0.06	-63.94
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248391	0	38	-1.0	-55.29	345.49	2.31	-52.98
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017248392	0	40	-1.0	-57.81	371.17	3.08	-54.73
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017248393	0	35	-1.0	-61.59	324.69	0.67	-60.92
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017248394	0	35	-1.0	-48.27	343.67	0.87	-47.40
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1C	REAL300017248395	0	38	-1.0	-50.71	327.33	1.14	-49.57
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017248396	0	31	-1.0	-46.37	309.84	0.95	-45.42
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248397	0	33	-1.0	-53.41	320.97	0.43	-52.98
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248398	0	41	-1.0	-50.77	337.18	0.31	-50.46
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CC1	REAL300017248399	0	43	-1.0	-37.99	353.09	-0.43	-38.42
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C2)=CO1	REAL300017248400	0	38	-1.0	-59.72	340.82	-0.67	-60.39
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017248401	0	28	-1.0	-50.93	291.66	-0.65	-51.58
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300017248402	0	32	-1.0	-48.06	287.40	-1.59	-49.65
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017248403	0	37	-1.0	-59.19	319.48	0.33	-58.86
COC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248404	0	33	-1.0	-52.25	305.11	-0.32	-52.57
COC(=O)C1=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C2=CC=CC=C2S1	REAL300017248405	0	38	-1.0	-63.28	345.18	2.68	-60.60
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248406	0	38	-1.0	-55.83	338.32	1.19	-54.64
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=N2)C=C1	REAL300017248407	0	39	-1.0	-56.43	347.14	2.08	-54.35
C[C@@H](O)[C@@H](NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017248408	0	47	-1.0	-54.99	400.22	1.79	-53.20
C[C@@H](O)[C@@H](NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017248409	0	47	-1.0	-57.10	401.51	1.88	-55.22
C[C@@H](O)[C@@H](NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017248410	0	44	-1.0	-62.25	389.42	1.06	-61.19
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)S1	REAL300017248411	0	31	-1.0	-45.95	300.33	0.06	-45.89
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C21	REAL300017248412	0	40	-1.0	-70.10	340.55	0.80	-69.30
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017248413	0	29	-1.0	-48.29	293.82	0.98	-47.31
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017248414	0	29	-1.0	-46.90	297.46	0.81	-46.09
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248415	0	39	-1.0	-63.14	326.25	2.06	-61.08
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1F	REAL300017248416	0	35	-1.0	-50.78	319.57	0.34	-50.44
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248417	0	33	-1.0	-48.66	311.53	0.11	-48.55
COC1=CC=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248418	0	36	-1.0	-54.30	306.70	-0.00	-54.30
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017248419	0	30	-1.0	-52.95	306.25	0.60	-52.35
COC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1Cl	REAL300017248420	0	36	-1.0	-61.19	322.60	0.24	-60.95
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)S1	REAL300017248421	0	35	-1.0	-54.87	330.91	0.49	-54.38
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1F	REAL300017248422	0	36	-1.0	-59.76	325.59	-0.72	-60.48
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1OC	REAL300017248423	0	37	-1.0	-48.78	333.26	-0.50	-49.28
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017248424	0	33	-1.0	-49.79	306.79	-0.61	-50.40
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017248425	0	32	-1.0	-43.77	304.60	0.72	-43.05
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C	REAL300017248426	0	40	-1.0	-60.59	357.09	-3.20	-63.79
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC=C2S1	REAL300017248427	0	41	-1.0	-50.44	374.89	2.70	-47.74
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(Br)=C1	REAL300017248428	0	33	-1.0	-56.12	307.75	0.24	-55.88
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017248429	0	34	-1.0	-56.28	317.14	-4.76	-61.04
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)OCO2	REAL300017248430	0	35	-1.0	-51.33	303.24	-0.64	-51.97
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300017248431	0	35	-1.0	-47.63	328.56	0.84	-46.79
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248432	0	35	-1.0	-55.34	315.96	0.86	-54.48
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017248433	0	29	-1.0	-45.60	291.34	0.79	-44.81
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248434	0	35	-1.0	-45.20	295.91	1.44	-43.76
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017248435	0	29	-1.0	-47.88	294.69	0.97	-46.91
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)OCC(=O)N2	REAL300017248436	0	39	-1.0	-51.28	345.51	-3.16	-54.44
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017248437	0	30	-1.0	-53.01	287.30	-1.89	-54.90
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017248438	0	29	-1.0	-48.80	287.61	0.36	-48.44
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1OC	REAL300017248439	0	39	-1.0	-50.31	343.38	0.46	-49.85
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017248440	0	33	-1.0	-55.82	311.54	-3.05	-58.87
CCOC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248441	0	36	-1.0	-50.65	312.74	-0.03	-50.68
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300017248442	0	40	-1.0	-63.21	341.86	1.64	-61.57
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300017248443	0	33	-1.0	-45.03	316.93	0.84	-44.19
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300017248483	0	30	-1.0	-51.61	294.97	0.42	-51.19
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(=O)N(C)C	REAL300017248484	0	43	-1.0	-62.83	367.64	-0.49	-63.32
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017248485	0	37	-1.0	-46.92	334.09	0.79	-46.13
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC=C1[N+](=O)[O-]	REAL300017248486	0	34	-1.0	-45.38	305.55	0.93	-44.45
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC([N+](=O)[O-])=C1C	REAL300017248487	0	43	-1.0	-44.02	376.26	2.36	-41.66
CC1=CC=C(Br)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248488	0	32	-1.0	-50.00	299.37	1.11	-48.89
COC(=O)C1=COC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248489	0	32	-1.0	-50.85	302.47	-1.46	-52.31
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=N1	REAL300017248490	0	40	-1.0	-54.27	348.88	0.42	-53.85
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300017248491	0	31	-1.0	-48.64	293.39	-0.77	-49.41
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248492	0	39	-1.0	-59.34	328.96	-0.01	-59.35
CC(=O)NC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC=C1C	REAL300017248493	0	39	-1.0	-66.43	340.63	-0.49	-66.92
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300017248494	0	34	-1.0	-54.72	307.28	-0.28	-55.00
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2)C(=O)[O-]	REAL300017248495	0	35	-1.0	-59.76	309.80	-1.93	-61.69
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300017248496	0	41	-1.0	-61.17	339.97	0.26	-60.91
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300017248497	0	31	-1.0	-46.89	296.13	-1.04	-47.93
CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248498	0	32	-1.0	-50.29	296.00	0.96	-49.33
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248499	0	37	-1.0	-59.01	313.63	0.31	-58.70
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CN=C1Cl	REAL300017248500	0	31	-1.0	-44.94	292.10	-1.03	-45.97
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300017248501	0	35	-1.0	-51.22	311.63	-1.29	-52.51
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017248502	0	28	-1.0	-50.50	282.86	-0.48	-50.98
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017248503	0	38	-1.0	-59.51	339.60	1.39	-58.12
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC(OC)=C1	REAL300017248504	0	37	-1.0	-52.41	320.34	-1.65	-54.06
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300017248505	0	30	-1.0	-50.52	295.37	0.68	-49.84
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300017248506	0	35	-1.0	-55.25	309.62	1.09	-54.16
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C2=NC=CC=C2C=C1	REAL300017248507	0	37	-1.0	-62.49	313.29	1.67	-60.82
CCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1CC	REAL300017248508	0	41	-1.0	-50.98	338.40	2.31	-48.67
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248509	0	37	-1.0	-43.31	315.54	1.93	-41.38
CC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1Cl	REAL300017248510	0	32	-1.0	-50.49	293.31	0.88	-49.61
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C(C)O1	REAL300017248511	0	35	-1.0	-51.48	322.14	-0.69	-52.17
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300017248512	0	30	-1.0	-46.58	284.76	-2.33	-48.91
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300017248513	0	35	-1.0	-56.98	310.30	1.17	-55.81
COC(=O)C1=NSC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248514	0	31	-1.0	-51.59	293.97	-1.43	-53.02
COC(=O)C1=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)SC=N1	REAL300017248515	1	31	-1.0	-50.79	301.70	-2.53	-53.32
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC(C)=C1F	REAL300017248516	0	35	-1.0	-46.85	308.39	1.09	-45.76
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300017248517	0	37	-1.0	-57.37	319.87	-1.89	-59.26
C[C@@H](O)[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-]	REAL300017248518	0	40	-1.0	-49.42	324.20	-2.30	-51.72
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CN1C	REAL300017248519	0	36	-1.0	-51.45	322.24	-0.23	-51.68
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248520	0	40	-1.0	-48.98	343.94	1.58	-47.40
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017248521	0	32	-1.0	-62.03	310.13	1.51	-60.52
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017248522	0	32	-1.0	-53.75	307.58	1.02	-52.73
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017248523	0	29	-1.0	-61.36	277.05	0.96	-60.40
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CN=C1Cl	REAL300017248524	0	32	-1.0	-51.85	306.75	-2.32	-54.17
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300017248525	0	33	-1.0	-56.15	311.16	0.88	-55.27
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=N1	REAL300017248526	0	34	-1.0	-46.10	311.08	-1.52	-47.62
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017248527	0	28	-1.0	-50.03	275.72	-1.01	-51.04
COCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248528	0	36	-1.0	-58.89	319.51	-0.01	-58.90
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248529	0	34	-1.0	-50.13	310.54	-0.09	-50.22
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248530	0	35	-1.0	-50.47	331.82	0.82	-49.65
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C(=O)[O-]	REAL300017248531	0	32	-1.0	-44.76	310.95	-2.13	-46.89
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=N1	REAL300017248532	0	35	-1.0	-47.18	309.35	-2.74	-49.92
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017248533	0	38	-1.0	-71.61	350.79	-2.09	-73.70
CC(=O)NC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC=C1F	REAL300017248534	0	36	-1.0	-58.47	322.29	-1.34	-59.81
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C21	REAL300017248535	0	43	-1.0	-68.27	353.21	1.33	-66.94
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300017248536	0	32	-1.0	-51.97	289.17	-1.57	-53.54
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248537	0	35	-1.0	-46.94	316.32	1.73	-45.21
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248538	0	46	-1.0	-52.01	397.09	-0.62	-52.63
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248539	0	39	-1.0	-51.69	348.19	-2.95	-54.64
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C2CC1	REAL300017248540	0	46	-1.0	-56.70	374.15	1.70	-55.00
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(F)(F)F	REAL300017248541	0	38	-1.0	-50.80	345.19	1.11	-49.69
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248542	0	38	-1.0	-58.31	335.91	2.71	-55.60
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CSC2=CC=CC=C21)C(=O)[O-]	REAL300017248543	0	32	-1.0	-49.15	298.05	1.06	-48.09
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017248544	0	32	-1.0	-48.58	302.02	1.74	-46.84
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248545	0	43	-1.0	-63.32	377.31	-2.10	-65.42
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248546	0	42	-1.0	-45.29	366.94	1.25	-44.04
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC=C1C	REAL300017248547	0	41	-1.0	-48.07	352.99	1.77	-46.30
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248548	0	41	-1.0	-55.52	359.12	2.02	-53.50
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1OC	REAL300017248549	0	40	-1.0	-51.91	357.47	-0.51	-52.42
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C(F)C=C1C	REAL300017248550	0	41	-1.0	-57.43	362.59	2.45	-54.98
C[C@@H](O)[C@@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017248551	0	35	-1.0	-51.60	323.20	1.77	-49.83
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248552	0	38	-1.0	-55.13	344.67	1.44	-53.69
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017248553	0	39	-1.0	-54.13	335.56	3.16	-50.97
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248554	0	43	-1.0	-51.12	379.44	-2.55	-53.67
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017248555	0	32	-1.0	-52.43	301.70	1.03	-51.40
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CN1C	REAL300017248556	0	41	-1.0	-49.93	364.15	0.97	-48.96
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017248557	0	33	-1.0	-62.82	312.12	0.55	-62.27
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017248558	0	32	-1.0	-49.09	294.46	0.59	-48.50
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248559	0	31	-1.0	-44.72	288.29	-0.78	-45.50
CC1=NC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C(Br)N1C	REAL300017248560	0	32	-1.0	-56.27	301.87	-0.62	-56.89
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017248561	0	30	-1.0	-57.08	289.19	-1.44	-58.52
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248562	0	42	-1.0	-50.25	354.25	0.53	-49.72
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(F)=C1	REAL300017248563	0	35	-1.0	-55.21	325.05	1.01	-54.20
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248564	0	40	-1.0	-53.64	359.16	-0.96	-54.60
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(=O)OC(C)C	REAL300017248565	0	44	-1.0	-48.19	373.23	2.48	-45.71
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248566	0	41	-1.0	-53.93	365.01	-1.04	-54.97
COC(=O)C1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CCCC1	REAL300017248567	0	41	-1.0	-57.81	334.17	0.76	-57.05
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248568	0	36	-1.0	-48.19	332.13	-0.11	-48.30
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC=C1C(F)(F)F	REAL300017248569	0	35	-1.0	-46.25	315.77	1.26	-44.99
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300017248570	0	40	-1.0	-48.93	366.76	3.11	-45.82
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248571	0	38	-1.0	-55.75	337.28	1.10	-54.65
C[C@@H](O)[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300017248572	0	35	-1.0	-53.68	322.67	1.69	-51.99
COC(=O)C1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CCC1	REAL300017248573	0	38	-1.0	-58.00	322.79	0.05	-57.95
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300017248574	0	29	-1.0	-56.24	299.14	-0.06	-56.30
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1I	REAL300017248575	0	32	-1.0	-47.96	306.68	1.38	-46.58
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248576	0	42	-1.0	-51.62	370.17	0.02	-51.60
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248577	0	45	-1.0	-51.16	392.04	0.95	-50.21
COC(=O)C1(CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CCCCC1	REAL300017248578	0	44	-1.0	-57.68	347.73	1.25	-56.43
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248579	0	37	-1.0	-66.27	334.39	0.77	-65.50
C[C@@H](O)[C@@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017248580	1	31	-1.0	-68.31	290.29	-0.65	-68.96
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300017248581	0	42	-1.0	-54.86	360.13	3.49	-51.37
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017248582	0	32	-1.0	-51.75	316.53	1.47	-50.28
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300017248583	0	32	-1.0	-52.24	307.40	1.07	-51.17
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1F	REAL300017248584	0	33	-1.0	-57.42	308.76	-0.06	-57.48
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248585	0	39	-1.0	-60.24	338.88	2.58	-57.66
C[C@@H](O)[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017248586	0	33	-1.0	-51.05	308.73	1.40	-49.65
C[C@@H](O)[C@@H](NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300017248587	0	38	-1.0	-54.30	327.98	2.03	-52.27
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C(C(N)=O)O1	REAL300017248589	0	33	-1.0	-65.58	304.31	-4.76	-70.34
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248593	0	38	-1.0	-51.66	315.37	2.28	-49.38
C[C@@H](O)[C@@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300017248594	0	38	-1.0	-57.74	323.30	0.47	-57.27
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300017248595	0	29	-1.0	-54.60	276.50	0.08	-54.52
C[C@@H](O)[C@@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017248596	0	35	-1.0	-59.78	317.29	1.26	-58.52
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248597	0	45	-1.0	-51.22	376.02	2.48	-48.74
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300017248598	0	34	-1.0	-53.93	298.76	0.34	-53.59
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC=C21	REAL300017248599	0	49	-1.0	-57.38	388.31	2.21	-55.17
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248600	0	36	-1.0	-59.74	322.29	-0.36	-60.10
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300017248601	0	43	-1.0	-50.32	355.83	-0.26	-50.58
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300017248602	0	44	-1.0	-68.64	375.14	2.92	-65.72
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C21	REAL300017248603	0	43	-1.0	-69.46	361.10	1.59	-67.87
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C2)C=C1	REAL300017248604	0	44	-1.0	-58.38	393.34	4.12	-54.26
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300017248605	0	36	-1.0	-50.21	311.06	-0.65	-50.86
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300017248606	0	36	-1.0	-45.28	304.44	-0.62	-45.90
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300017248607	0	39	-1.0	-45.88	331.99	0.40	-45.48
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300017248615	0	35	-1.0	-57.35	332.14	1.21	-56.14
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300017248616	0	35	-1.0	-57.67	316.48	-3.05	-60.72
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017248617	1	26	-1.0	-50.22	266.42	-1.62	-51.84
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN=C2CCCCN21)C(=O)[O-]	REAL300017248618	0	36	-1.0	-51.76	300.96	-0.45	-52.21
COC1=C(F)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1F	REAL300017248619	0	33	-1.0	-44.55	306.15	-0.80	-45.35
COC1=CC(F)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1F	REAL300017248620	0	33	-1.0	-57.83	307.34	-0.85	-58.68
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(C)C	REAL300017248621	0	54	-1.0	-56.29	438.88	4.87	-51.42
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C	REAL300017248622	0	45	-1.0	-51.62	363.01	1.74	-49.88
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248623	0	39	-1.0	-53.38	336.39	1.10	-52.28
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(C)C	REAL300017248624	0	52	-1.0	-52.23	426.77	2.22	-50.01
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C2OC(C)CC2=CC=C1)C(=O)[O-]	REAL300017248625	0	37	-1.0	-55.54	320.07	0.41	-55.13
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017248626	0	37	-1.0	-56.12	335.33	-0.59	-56.71
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300017248627	0	37	-1.0	-52.69	329.60	1.96	-50.73
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248628	0	33	-1.0	-51.58	295.36	0.28	-51.30
CC1=C(Br)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C(C)S1	REAL300017248629	0	32	-1.0	-49.57	301.97	0.97	-48.60
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(Br)=C1	REAL300017248630	0	32	-1.0	-50.03	305.86	1.72	-48.31
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C21	REAL300017248631	0	46	-1.0	-67.47	370.01	1.78	-65.69
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300017248632	0	35	-1.0	-53.68	310.46	0.18	-53.50
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C21	REAL300017248633	0	43	-1.0	-61.36	359.84	1.29	-60.07
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300017248634	0	29	-1.0	-41.56	278.95	-2.33	-43.89
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017248635	0	31	-1.0	-54.60	299.95	-1.11	-55.71
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248636	0	34	-1.0	-58.95	298.57	-0.80	-59.75
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300017248637	0	33	-1.0	-49.94	317.55	0.37	-49.57
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300017248638	0	30	-1.0	-45.42	275.04	-1.56	-46.98
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300017248639	0	32	-1.0	-51.43	299.72	1.13	-50.30
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CNC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300017248640	0	33	-1.0	-57.60	321.06	0.26	-57.34
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300017248641	0	32	-1.0	-61.24	307.49	-0.51	-61.75
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300017248642	0	36	-1.0	-45.90	313.02	-0.60	-46.50
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(C)=C1F	REAL300017248643	0	38	-1.0	-46.21	315.43	2.08	-44.13
COC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1OC	REAL300017248644	0	37	-1.0	-51.94	320.15	-0.39	-52.33
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300017248645	0	38	-1.0	-59.33	329.66	-3.04	-62.37
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300017248646	0	30	-1.0	-48.12	300.78	0.55	-47.57
COC1=CC=C(F)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1OC	REAL300017248647	0	37	-1.0	-54.98	318.90	0.09	-54.89
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248648	1	32	-1.0	-55.55	324.30	-0.30	-55.85
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300017248649	0	26	-1.0	-47.51	282.25	-0.03	-47.54
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300017248650	0	42	-1.0	-57.58	346.69	0.94	-56.64
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300017248651	0	33	-1.0	-51.25	309.28	1.53	-49.72
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300017248653	0	36	-1.0	-42.35	310.93	-0.54	-42.89
C[C@@H](O)[C@@H](NC(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017248654	0	31	-1.0	-49.42	294.87	3.63	-45.79
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300017248655	0	33	-1.0	-51.79	300.58	-0.68	-52.47
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300017248656	0	33	-1.0	-52.24	317.64	0.39	-51.85
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017248657	0	32	-1.0	-55.44	289.39	-1.09	-56.53
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300017248658	0	34	-1.0	-52.47	306.68	-1.75	-54.22
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1Br	REAL300017248660	0	35	-1.0	-50.30	315.66	1.80	-48.50
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300017248661	0	35	-1.0	-46.45	330.82	0.92	-45.53
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300017248662	0	32	-1.0	-57.48	297.54	0.64	-56.84
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300017248663	0	39	-1.0	-49.92	335.14	0.15	-49.77
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248664	0	47	-1.0	-52.87	374.52	3.71	-49.16
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300017248665	0	35	-1.0	-47.51	332.60	1.62	-45.89
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300017248666	0	39	-1.0	-55.57	339.13	0.92	-54.65
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300017248667	0	33	-1.0	-52.81	294.39	0.77	-52.04
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300017248668	0	40	-1.0	-40.28	357.65	2.54	-37.74
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300017248669	0	42	-1.0	-57.02	351.17	-1.85	-58.87
COC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C2=NC=CC=C2C=C1	REAL300017248670	0	38	-1.0	-67.34	323.86	1.05	-66.29
CCCC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248671	0	38	-1.0	-49.95	324.72	1.87	-48.08
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248672	0	35	-1.0	-43.72	313.14	-2.10	-45.82
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300017248673	0	30	-1.0	-52.34	287.02	0.16	-52.18
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300017248674	0	36	-1.0	-55.61	308.11	-0.22	-55.83
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017248675	0	33	-1.0	-43.71	316.77	1.00	-42.71
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C2C=C1	REAL300017248676	0	41	-1.0	-60.20	365.07	3.19	-57.01
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300017248677	0	38	-1.0	-50.50	350.41	2.34	-48.16
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300017248678	0	38	-1.0	-52.45	305.72	-0.14	-52.59
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300017248679	0	38	-1.0	-48.33	325.56	-0.61	-48.94
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300017248680	0	36	-1.0	-56.51	311.71	-0.77	-57.28
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CN=C1C(F)(F)F	REAL300017248681	0	34	-1.0	-43.80	311.31	-0.52	-44.32
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017248682	0	32	-1.0	-44.93	305.80	0.74	-44.19
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300017248683	0	29	-1.0	-56.70	282.55	0.03	-56.67
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017248684	0	29	-1.0	-45.08	293.35	-0.13	-45.21
C[C@@H](O)[C@@H](NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300017248685	0	34	-1.0	-47.63	289.19	-1.05	-48.68
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017248686	0	32	-1.0	-43.99	313.24	1.17	-42.82
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300017248687	0	32	-1.0	-57.08	280.62	1.13	-55.95
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248688	0	40	-1.0	-55.41	344.87	1.69	-53.72
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300017248689	0	40	-1.0	-51.15	331.15	2.75	-48.40
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300017248690	0	39	-1.0	-52.05	340.54	1.35	-50.70
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300017248691	0	35	-1.0	-47.79	324.00	0.74	-47.05
C[C@@H](O)[C@@H](NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017248692	0	35	-1.0	-57.30	306.94	0.12	-57.18
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300017248693	0	34	-1.0	-39.70	321.03	0.31	-39.39
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248694	0	39	-1.0	-56.00	361.96	0.49	-55.51
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1)C(=O)[O-]	REAL300017248695	0	38	-1.0	-57.01	335.54	-0.29	-57.30
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300017248696	0	29	-1.0	-49.43	281.08	0.17	-49.26
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017248697	0	32	-1.0	-49.49	292.75	1.37	-48.12
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248698	0	35	-1.0	-47.08	325.89	-0.00	-47.08
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300017248699	0	36	-1.0	-43.09	316.87	2.02	-41.07
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300017248700	0	31	-1.0	-46.06	316.30	-0.00	-46.06
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300017248701	0	39	-1.0	-45.85	325.91	0.30	-45.55
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248702	0	38	-1.0	-44.98	315.14	-0.67	-45.65
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248703	0	38	-1.0	-63.03	336.96	-2.77	-65.80
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300017248704	0	32	-1.0	-55.71	316.03	-3.73	-59.44
C[C@@H](O)[C@@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300017248705	0	43	-1.0	-50.22	325.84	0.47	-49.75
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248706	0	33	-1.0	-49.27	303.53	-0.31	-49.58
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300017248707	0	43	-1.0	-49.93	358.91	-1.14	-51.07
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300017248708	0	35	-1.0	-49.11	314.60	1.28	-47.83
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300017248709	0	33	-1.0	-50.04	300.62	-0.67	-50.71
C[C@@H](O)[C@@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017248710	0	44	-1.0	-50.59	356.78	2.39	-48.20
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C2=NC=CC=C12	REAL300017248711	0	40	-1.0	-58.64	328.20	1.84	-56.80
C[C@@H](O)[C@@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300017248712	0	37	-1.0	-49.71	315.78	-0.25	-49.96
CCOCC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248713	0	39	-1.0	-51.54	338.31	0.43	-51.11
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300017248714	0	32	-1.0	-58.44	325.62	1.73	-56.71
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300017248717	0	39	-1.0	-47.39	341.80	0.95	-46.44
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300017248718	0	42	-1.0	-49.93	348.58	0.70	-49.23
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017248719	0	40	-1.0	-57.26	354.43	2.57	-54.69
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC(C)=C1Br	REAL300017248720	0	35	-1.0	-46.74	318.00	1.40	-45.34
CCN1N=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1Cl	REAL300017248721	0	32	-1.0	-48.11	304.23	-1.28	-49.39
C[C@@H](O)[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017248722	0	33	-1.0	-50.94	312.75	1.49	-49.45
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C2	REAL300017248723	0	35	-1.0	-56.93	351.44	0.96	-55.97
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017248725	0	31	-1.0	-41.70	303.14	-0.87	-42.57
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017248726	0	34	-1.0	-58.39	319.05	0.97	-57.42
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017248727	0	34	-1.0	-54.31	314.65	0.72	-53.59
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C2=CC=CC=C12	REAL300017248728	0	38	-1.0	-54.08	321.30	2.69	-51.39
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248729	0	33	-1.0	-57.45	311.72	0.72	-56.73
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300017248730	0	36	-1.0	-50.87	318.21	0.03	-50.84
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300017248731	0	43	-1.0	-57.16	368.59	1.75	-55.41
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017248732	0	29	-1.0	-44.90	289.07	0.31	-44.59
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)O1	REAL300017248733	0	35	-1.0	-58.24	326.20	-3.90	-62.14
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300017248734	0	39	-1.0	-51.63	336.76	1.27	-50.36
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300017248735	0	35	-1.0	-54.00	331.19	-2.56	-56.56
C[C@@H](O)[C@@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017248736	0	33	-1.0	-49.51	299.84	0.95	-48.56
C[C@@H](O)[C@@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300017248737	0	33	-1.0	-49.46	315.79	1.59	-47.87
C[C@@H](O)[C@@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300017248738	0	33	-1.0	-49.49	315.78	1.60	-47.89
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300017248739	0	33	-1.0	-59.23	308.95	1.62	-57.61
COC(=O)C1CCCCN1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248740	0	40	-1.0	-57.54	317.40	0.34	-57.20
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300017248741	0	51	-1.0	-50.83	390.00	3.83	-47.00
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017248742	0	32	-1.0	-46.83	306.77	0.55	-46.28
COC1=CC=C(C=C(C)S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248743	0	40	-1.0	-59.57	339.38	0.73	-58.84
COC(=O)C=CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248744	0	39	-1.0	-51.83	347.99	1.64	-50.19
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=NN1	REAL300017248745	0	35	-1.0	-50.32	320.55	-2.33	-52.65
COC1=CSC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1OC	REAL300017248746	0	34	-1.0	-52.08	312.51	-2.32	-54.40
C[C@@H](O)[C@@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300017248747	0	41	-1.0	-58.59	324.88	0.12	-58.47
C[C@@H](O)[C@@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300017248748	0	40	-1.0	-57.92	345.40	1.57	-56.35
C[C@@H](O)[C@@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300017248749	0	40	-1.0	-55.62	336.86	6.71	-48.91
C[C@@H](O)[C@@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017248750	0	46	-1.0	-61.56	360.68	6.86	-54.70
C[C@@H](O)[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300017248751	0	47	-1.0	-49.28	361.40	2.64	-46.64
C[C@@H](O)[C@@H](NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)C(=O)[O-]	REAL300017248752	0	48	-1.0	-54.87	376.43	3.17	-51.70
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248753	0	33	-1.0	-50.99	309.55	0.86	-50.13
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300017248754	0	33	-1.0	-53.93	306.31	0.05	-53.88
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300017248755	0	33	-1.0	-51.85	305.75	-0.70	-52.55
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300017248756	0	35	-1.0	-48.16	303.43	-0.36	-48.52
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300017248757	0	36	-1.0	-63.82	319.44	1.46	-62.36
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300017248758	0	32	-1.0	-49.86	290.84	1.23	-48.63
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300017248759	0	38	-1.0	-56.60	343.29	0.74	-55.86
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017248760	0	26	-1.0	-43.85	287.14	-0.13	-43.98
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248761	0	42	-1.0	-56.13	356.67	2.04	-54.09
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC2=C1N(C)C(=O)C2(C)C	REAL300017248762	0	46	-1.0	-57.31	382.88	2.19	-55.12
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300017248763	0	32	-1.0	-48.36	316.12	1.11	-47.25
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300017248764	0	34	-1.0	-49.29	311.72	0.29	-49.00
COC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248765	0	37	-1.0	-53.83	312.33	-0.88	-54.71
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300017248766	0	26	-1.0	-49.91	278.02	-0.32	-50.23
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017248767	0	40	-1.0	-53.59	351.75	2.66	-50.93
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300017248768	0	35	-1.0	-58.22	298.53	1.76	-56.46
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300017248769	0	34	-1.0	-49.00	315.18	-1.75	-50.75
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300017248770	0	30	-1.0	-56.35	306.45	-0.86	-57.21
CC1=CC(Cl)=NC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248771	0	31	-1.0	-47.68	289.63	-0.70	-48.38
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248772	0	40	-1.0	-50.50	343.97	1.28	-49.22
CCN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(C2CC2)=N1	REAL300017248773	0	39	-1.0	-50.07	341.65	0.55	-49.52
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C2=NSN=C2C=C1	REAL300017248774	0	33	-1.0	-58.67	299.54	-0.91	-59.58
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300017248775	0	35	-1.0	-49.29	323.96	2.52	-46.77
CC(=O)OC1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C1	REAL300017248776	0	37	-1.0	-50.94	319.86	-1.12	-52.06
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017248777	0	39	-1.0	-57.20	355.38	4.19	-53.01
CCC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC=C1Br	REAL300017248778	0	35	-1.0	-55.18	324.78	1.59	-53.59
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248779	0	42	-1.0	-45.43	343.62	0.70	-44.73
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248780	0	43	-1.0	-42.62	364.06	0.03	-42.59
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300017248781	0	35	-1.0	-51.03	321.38	2.65	-48.38
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300017248782	0	37	-1.0	-46.42	309.09	-2.70	-49.12
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300017248783	0	35	-1.0	-49.42	326.22	-0.43	-49.85
CC(=O)OCC1CCN(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CC1	REAL300017248784	0	43	-1.0	-53.09	354.87	0.40	-52.69
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248785	0	43	-1.0	-58.97	369.81	0.36	-58.61
C[C@@H](O)[C@@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300017248786	0	39	-1.0	-51.03	316.39	-3.06	-54.09
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(C)=N1	REAL300017248787	0	35	-1.0	-46.58	303.58	-2.71	-49.29
COC1=NC=C(C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248788	0	35	-1.0	-50.84	310.84	-1.86	-52.70
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300017248789	0	44	-1.0	-49.85	362.15	0.04	-49.81
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248790	0	32	-1.0	-47.87	304.21	-2.63	-50.50
COC1=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C	REAL300017248791	0	35	-1.0	-46.45	307.69	-2.92	-49.37
CC(C)CN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=N1	REAL300017248792	0	38	-1.0	-51.68	329.60	-0.14	-51.82
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248793	0	38	-1.0	-48.88	325.00	-0.59	-49.47
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300017248794	0	28	-1.0	-52.82	292.08	-1.74	-54.56
C[C@@H](O)[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017248795	0	33	-1.0	-48.22	324.39	1.82	-46.40
COC(=O)C1=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C	REAL300017248796	0	37	-1.0	-45.59	327.15	-0.96	-46.55
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017248797	0	32	-1.0	-54.68	299.60	1.56	-53.12
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300017248798	0	36	-1.0	-46.16	310.95	-0.13	-46.29
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300017248799	0	36	-1.0	-56.97	316.74	0.97	-56.00
C[C@@H](O)[C@@H](NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300017248800	0	34	-1.0	-61.96	299.33	0.06	-61.90
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=NN1C(C)C	REAL300017248801	0	38	-1.0	-52.82	325.71	-0.40	-53.22
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300017248802	0	36	-1.0	-53.98	320.13	1.86	-52.12
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300017248803	0	31	-1.0	-61.58	295.04	-1.19	-62.77
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300017248804	0	43	-1.0	-57.85	374.02	3.83	-54.02
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300017248805	0	36	-1.0	-51.35	321.79	1.90	-49.45
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300017248806	0	33	-1.0	-49.95	312.99	0.27	-49.68
C[C@@H](O)[C@@H](NC(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300017248807	0	31	-1.0	-57.90	277.11	2.59	-55.31
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300017248808	0	32	-1.0	-51.63	300.22	0.73	-50.90
C[C@@H](O)[C@@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300017248809	0	37	-1.0	-56.35	315.75	-4.60	-60.95
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300017248811	0	36	-1.0	-55.46	317.43	2.13	-53.33
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(Cl)=C1Cl	REAL300017248812	0	32	-1.0	-55.75	310.72	1.27	-54.48
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300017248813	0	33	-1.0	-45.71	312.97	-0.44	-46.15
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017248814	0	36	-1.0	-50.65	322.69	0.52	-50.13
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(C(F)F)=C1	REAL300017248815	0	36	-1.0	-66.42	308.05	-0.34	-66.76
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CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273155	0	41	-1.0	-60.11	335.65	1.62	-58.49
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CSC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1	REAL300017273174	0	34	-1.0	-53.98	297.78	3.47	-50.51
CCCOC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1	REAL300017273175	0	42	-1.0	-52.90	355.72	4.83	-48.07
CCC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1	REAL300017273176	0	40	-1.0	-62.03	334.22	2.16	-59.87
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017273177	0	36	-1.0	-58.39	321.64	4.27	-54.12
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273178	0	41	-1.0	-44.65	326.09	4.39	-40.26
CCN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)N=C1C	REAL300017273179	0	36	-1.0	-61.71	304.78	2.44	-59.27
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017273180	0	29	-1.0	-41.34	279.14	1.70	-39.64
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017273181	0	36	-1.0	-46.17	301.80	2.31	-43.86
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017273182	0	35	-1.0	-45.29	290.26	2.98	-42.31
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017273183	0	42	-1.0	-55.91	354.10	4.50	-51.41
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017273184	0	30	-1.0	-46.11	270.48	2.79	-43.32
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017273185	0	30	-1.0	-41.05	285.54	3.36	-37.69
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C(F)(F)F	REAL300017273186	0	36	-1.0	-41.16	305.37	3.41	-37.75
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017273187	0	36	-1.0	-50.48	327.20	3.98	-46.50
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)C=C12	REAL300017273188	0	38	-1.0	-51.46	323.07	2.14	-49.32
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017273189	0	33	-1.0	-54.50	309.50	3.93	-50.57
CC1=NOC2=NC=C(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)C=C12	REAL300017273190	0	34	-1.0	-52.46	297.41	-0.61	-53.07
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017273191	0	39	-1.0	-56.60	339.16	5.30	-51.30
COCC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273192	0	37	-1.0	-55.80	312.71	2.18	-53.62
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017273193	0	32	-1.0	-38.30	298.01	3.88	-34.42
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C(C(=O)OC)S1	REAL300017273194	0	39	-1.0	-44.13	349.40	3.39	-40.74
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273195	0	36	-1.0	-42.70	301.67	3.41	-39.29
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017273196	0	33	-1.0	-57.60	296.37	3.71	-53.89
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017273197	0	42	-1.0	-68.27	355.11	1.07	-67.20
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017273198	0	37	-1.0	-56.22	328.89	3.07	-53.15
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017273199	0	30	-1.0	-38.93	288.87	3.76	-35.17
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017273200	0	38	-1.0	-52.27	327.05	-0.04	-52.31
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC=C1F	REAL300017273231	0	39	-1.0	-42.51	339.76	3.64	-38.87
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017273232	0	38	-1.0	-59.33	323.99	3.40	-55.93
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017273233	0	30	-1.0	-39.12	273.98	3.19	-35.93
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273234	0	49	-1.0	-60.24	382.96	6.28	-53.96
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017273235	0	33	-1.0	-56.03	309.92	4.16	-51.87
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017273236	0	31	-1.0	-39.10	288.32	3.52	-35.58
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1Cl	REAL300017273237	0	37	-1.0	-49.55	334.12	2.23	-47.32
CC1CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)=CC=C2O1	REAL300017273238	0	38	-1.0	-43.07	315.89	2.65	-40.42
COC1=CC(Cl)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1Cl	REAL300017273239	0	34	-1.0	-39.38	313.11	2.98	-36.40
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273240	0	42	-1.0	-43.39	300.24	4.64	-38.75
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273241	0	42	-1.0	-51.42	330.61	0.87	-50.55
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CS1	REAL300017273242	0	33	-1.0	-41.78	311.12	1.88	-39.90
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273243	0	39	-1.0	-42.11	334.08	4.33	-37.78
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017273244	0	41	-1.0	-53.94	362.93	5.67	-48.27
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017273245	0	36	-1.0	-51.59	320.75	3.91	-47.68
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017273246	0	36	-1.0	-50.15	337.48	4.42	-45.73
COC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1C	REAL300017273247	0	39	-1.0	-45.88	314.70	3.78	-42.10
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017273248	0	32	-1.0	-49.94	306.26	3.71	-46.23
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273249	0	34	-1.0	-45.30	313.45	2.86	-42.44
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273250	0	42	-1.0	-52.06	323.47	2.62	-49.44
CCOC(=O)N1CCC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)CC1	REAL300017273251	0	44	-1.0	-40.90	351.72	3.19	-37.71
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)C=C2)=CO1	REAL300017273252	0	39	-1.0	-59.18	333.98	1.52	-57.66
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017273253	0	29	-1.0	-46.55	283.84	1.44	-45.11
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017273254	0	33	-1.0	-52.08	290.96	2.73	-49.35
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017273255	0	33	-1.0	-42.43	284.86	0.70	-41.73
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN=C2CCCN12	REAL300017273256	0	34	-1.0	-56.31	285.21	1.61	-54.70
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017273257	0	38	-1.0	-54.52	310.47	3.05	-51.47
COC1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273258	0	34	-1.0	-42.59	297.06	2.42	-40.17
COC(=O)C1=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C2=CC=CC=C2S1	REAL300017273259	0	39	-1.0	-44.50	322.09	5.04	-39.46
COC(=O)CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1	REAL300017273260	0	39	-1.0	-60.18	334.56	3.90	-56.28
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017273261	0	37	-1.0	-45.86	299.27	3.87	-41.99
CC1=CC=C(N2C=C(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)C=N2)C=C1	REAL300017273262	0	40	-1.0	-54.54	340.20	4.11	-50.43
CN(C1(C(=O)[O-])COC1)S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017273263	0	48	-1.0	-57.66	389.75	4.46	-53.20
CN(C1(C(=O)[O-])COC1)S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017273264	0	48	-1.0	-44.24	392.47	4.42	-39.82
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017273265	0	45	-1.0	-55.87	379.22	3.72	-52.15
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)S1	REAL300017273266	0	32	-1.0	-45.92	296.82	2.52	-43.40
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)C=C21	REAL300017273267	0	41	-1.0	-50.96	329.00	2.50	-48.46
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017273268	0	30	-1.0	-41.64	284.65	3.63	-38.01
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017273269	0	30	-1.0	-35.85	285.71	2.56	-33.29
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273270	0	40	-1.0	-59.48	313.84	4.04	-55.44
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC=C1C#N	REAL300017273271	0	34	-1.0	-51.38	296.66	3.31	-48.07
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1F	REAL300017273272	0	36	-1.0	-40.61	317.77	2.72	-37.89
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273273	0	34	-1.0	-42.17	303.88	2.93	-39.24
COC1=CC=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273274	0	37	-1.0	-42.11	295.13	2.55	-39.56
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017273275	0	31	-1.0	-35.85	299.08	2.94	-32.91
COC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1Cl	REAL300017273276	0	37	-1.0	-40.34	314.86	3.15	-37.19
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)S1	REAL300017273277	0	36	-1.0	-45.15	333.73	3.07	-42.08
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1F	REAL300017273278	0	37	-1.0	-46.02	310.83	1.30	-44.72
COC1=CC(Cl)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1OC	REAL300017273279	0	38	-1.0	-42.09	326.25	2.35	-39.74
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017273280	0	34	-1.0	-43.49	304.11	1.68	-41.81
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017273281	0	33	-1.0	-47.65	301.09	3.49	-44.16
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C	REAL300017273282	0	41	-1.0	-55.97	349.54	-0.49	-56.46
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)=CC=C2S1	REAL300017273283	0	42	-1.0	-40.99	371.81	5.02	-35.97
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017273284	0	34	-1.0	-60.02	299.91	3.62	-56.40
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C(Br)=C1	REAL300017273285	0	34	-1.0	-40.95	299.27	2.52	-38.43
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017273286	0	35	-1.0	-57.70	314.50	-1.93	-59.63
CC1=CC2=C(C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1)OCO2	REAL300017273287	0	36	-1.0	-41.82	295.38	1.96	-39.86
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273288	0	36	-1.0	-47.55	309.31	3.80	-43.75
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017273289	0	30	-1.0	-38.87	284.37	3.63	-35.24
CC1=CC(F)=CC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273290	0	36	-1.0	-43.33	279.26	3.79	-39.54
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017273291	0	30	-1.0	-38.60	286.47	3.72	-34.88
COC1=CC2=C(C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1)OCC(=O)N2	REAL300017273292	0	40	-1.0	-44.74	337.78	-0.34	-45.08
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C#N)S1	REAL300017273293	0	28	-1.0	-48.25	270.07	1.68	-46.57
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017273294	0	31	-1.0	-47.18	283.46	0.99	-46.19
COC1=CN=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273295	0	33	-1.0	-52.79	281.34	-0.13	-52.92
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017273296	0	30	-1.0	-44.40	284.79	3.34	-41.06
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1OC	REAL300017273297	0	40	-1.0	-44.08	340.33	2.72	-41.36
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017273298	0	34	-1.0	-56.26	308.03	-0.29	-56.55
CCOC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273299	0	37	-1.0	-56.71	309.17	2.69	-54.02
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017273300	0	41	-1.0	-48.97	331.97	4.29	-44.68
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017273301	0	34	-1.0	-35.84	315.44	3.22	-32.62
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017273339	0	31	-1.0	-46.29	287.21	3.34	-42.95
CC1=CC=C(C#N)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273340	0	34	-1.0	-39.05	286.36	3.63	-35.42
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C(=O)N(C)C	REAL300017273341	0	44	-1.0	-45.68	348.03	2.39	-43.29
CC1CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)=CC(Cl)=C2O1	REAL300017273342	0	38	-1.0	-51.14	330.50	3.52	-47.62
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC=C1[N+](=O)[O-]	REAL300017273343	0	35	-1.0	-48.99	303.14	3.63	-45.36
CC1=CC=C(Br)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273344	0	33	-1.0	-41.92	291.20	3.87	-38.05
COC(=O)C1=COC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273345	0	33	-1.0	-53.11	299.18	1.15	-51.96
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=N1	REAL300017273346	0	41	-1.0	-56.03	345.90	3.06	-52.97
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017273347	0	32	-1.0	-53.09	288.73	1.83	-51.26
CC(=O)N(C)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1	REAL300017273348	0	40	-1.0	-59.70	324.69	2.59	-57.11
COC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)SC=C1	REAL300017273349	0	31	-1.0	-54.46	279.02	1.21	-53.25
CC(=O)NC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC=C1C	REAL300017273350	0	40	-1.0	-63.22	330.71	2.18	-61.04
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CCCC(F)(F)F	REAL300017273351	0	32	-1.0	-56.46	285.81	1.88	-54.58
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017273352	0	35	-1.0	-62.87	306.25	2.61	-60.26
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017273353	0	36	-1.0	-47.93	300.72	0.39	-47.54
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017273354	0	42	-1.0	-56.49	330.82	2.97	-53.52
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017273355	0	32	-1.0	-48.08	292.26	1.72	-46.36
CC1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273356	0	33	-1.0	-42.40	289.01	3.78	-38.62
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273357	0	38	-1.0	-63.20	308.26	2.98	-60.22
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CN=C1Cl	REAL300017273358	0	32	-1.0	-50.59	287.40	1.58	-49.01
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017273359	0	36	-1.0	-54.75	308.06	1.47	-53.28
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017273360	0	29	-1.0	-36.33	286.00	1.92	-34.41
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017273361	0	39	-1.0	-50.08	331.70	3.84	-46.24
CC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1C#N	REAL300017273362	0	34	-1.0	-46.96	291.74	3.43	-43.53
COC1=CC(OC)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273363	0	38	-1.0	-55.93	315.77	1.02	-54.91
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017273364	0	31	-1.0	-39.38	288.46	3.51	-35.87
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017273365	0	36	-1.0	-49.71	306.19	3.38	-46.33
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C2=NC=CC=C2C=C1	REAL300017273366	0	38	-1.0	-55.77	296.92	3.90	-51.87
CCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1CC	REAL300017273367	0	42	-1.0	-40.94	326.45	4.16	-36.78
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273368	0	38	-1.0	-41.29	301.49	4.45	-36.84
CC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1Cl	REAL300017273369	0	33	-1.0	-43.24	285.78	3.72	-39.52
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C(C)O1	REAL300017273370	0	36	-1.0	-40.88	315.27	2.20	-38.68
CC1=C(C)SC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273371	0	33	-1.0	-50.28	291.67	2.58	-47.70
CC1=CC=CC(F)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273372	0	33	-1.0	-53.50	262.80	3.19	-50.31
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017273373	0	31	-1.0	-39.43	277.27	0.54	-38.89
CCC1=NC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)S1	REAL300017273374	0	32	-1.0	-48.12	287.71	0.71	-47.41
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017273375	0	36	-1.0	-61.06	311.13	4.03	-57.03
COC(=O)C1=NSC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273376	0	32	-1.0	-46.33	287.00	1.05	-45.28
COC(=O)C1=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)SC=N1	REAL300017273377	0	32	-1.0	-51.40	289.31	0.23	-51.17
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC(C)=C1F	REAL300017273378	0	36	-1.0	-50.69	303.67	3.74	-46.95
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017273379	0	38	-1.0	-61.67	316.36	0.88	-60.79
CN(C1(C(=O)[O-])COC1)S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017273380	0	41	-1.0	-53.73	321.15	0.44	-53.29
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CN1C	REAL300017273381	0	37	-1.0	-55.31	319.36	2.41	-52.90
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017273382	0	29	-1.0	-49.22	268.52	1.11	-48.11
CC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1F	REAL300017273383	0	33	-1.0	-46.07	284.12	3.35	-42.72
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1	REAL300017273384	0	41	-1.0	-56.02	340.20	4.29	-51.73
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017273385	0	33	-1.0	-56.01	304.93	3.82	-52.19
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017273386	0	33	-1.0	-56.79	305.48	3.83	-52.96
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017273387	0	30	-1.0	-56.17	270.96	3.17	-53.00
CC1=CC(F)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273388	0	33	-1.0	-41.46	277.07	2.31	-39.15
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CN=C1Cl	REAL300017273389	0	33	-1.0	-49.56	297.59	0.31	-49.25
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017273390	0	34	-1.0	-58.60	309.03	3.69	-54.91
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=N1	REAL300017273391	0	35	-1.0	-49.63	308.43	1.30	-48.33
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017273392	0	29	-1.0	-51.68	277.66	1.74	-49.94
COCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1	REAL300017273393	0	37	-1.0	-55.12	312.67	2.18	-52.94
COC1=CC(C#N)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273394	0	35	-1.0	-41.37	307.85	2.86	-38.51
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273395	0	36	-1.0	-54.13	328.21	3.59	-50.54
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017273396	0	33	-1.0	-39.10	299.27	0.62	-38.48
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=N1	REAL300017273397	0	36	-1.0	-50.24	305.79	0.02	-50.22
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017273398	0	39	-1.0	-67.57	342.64	0.66	-66.91
CC(=O)NC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC=C1F	REAL300017273399	0	37	-1.0	-58.57	314.42	1.37	-57.20
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)C=C21	REAL300017273400	0	44	-1.0	-58.81	345.37	3.96	-54.85
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017273401	0	33	-1.0	-45.03	285.28	1.32	-43.71
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273402	0	36	-1.0	-37.65	304.73	4.27	-33.38
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273403	0	40	-1.0	-53.49	347.81	-0.05	-53.54
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)C=C2CC1	REAL300017273404	0	47	-1.0	-57.25	367.10	4.34	-52.91
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C(F)(F)F	REAL300017273405	0	39	-1.0	-54.58	341.63	3.88	-50.70
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273406	0	39	-1.0	-41.85	327.82	5.04	-36.81
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017273407	0	33	-1.0	-43.29	292.68	3.98	-39.31
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017273408	0	33	-1.0	-50.40	303.59	4.46	-45.94
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273409	0	44	-1.0	-65.57	369.35	0.67	-64.90
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273410	0	43	-1.0	-46.34	363.53	4.04	-42.30
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC=C1C	REAL300017273411	0	42	-1.0	-51.51	347.33	4.65	-46.86
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273412	0	42	-1.0	-58.98	356.46	4.82	-54.16
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1OC	REAL300017273413	0	41	-1.0	-51.72	353.23	1.96	-49.76
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C(F)C=C1C	REAL300017273414	0	42	-1.0	-42.21	357.00	4.82	-37.39
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017273415	0	36	-1.0	-55.94	321.86	4.54	-51.40
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273416	0	39	-1.0	-44.23	341.00	4.28	-39.95
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017273417	0	40	-1.0	-57.19	331.83	5.89	-51.30
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1	REAL300017273418	0	44	-1.0	-55.77	376.76	0.24	-55.53
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC1=CC=CC=C1Br	REAL300017273419	0	33	-1.0	-56.99	299.59	3.82	-53.17
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CN1C	REAL300017273420	0	42	-1.0	-53.55	360.20	3.49	-50.06
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017273421	0	34	-1.0	-57.07	304.26	3.24	-53.83
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017273422	0	33	-1.0	-53.90	289.81	3.32	-50.58
CC1=NC(Cl)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273423	0	32	-1.0	-39.79	278.88	1.89	-37.90
CC1=NC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C(Br)N1C	REAL300017273424	0	33	-1.0	-54.86	299.71	2.53	-52.33
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017273425	0	31	-1.0	-50.23	280.14	1.27	-48.96
COC(=O)C(C)(C)CS(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273426	0	38	-1.0	-51.81	309.75	2.16	-49.65
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273427	0	43	-1.0	-66.70	351.03	3.31	-63.39
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C(F)=C1	REAL300017273428	0	36	-1.0	-42.33	318.93	3.40	-38.93
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273429	0	41	-1.0	-50.09	358.51	1.92	-48.17
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C(=O)OC(C)C	REAL300017273430	0	45	-1.0	-52.47	369.45	5.20	-47.27
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1	REAL300017273431	0	42	-1.0	-57.94	361.28	1.67	-56.27
COC(=O)C1(CS(=O)(=O)N(C)C2(C(=O)[O-])COC2)CCCC1	REAL300017273432	0	42	-1.0	-52.29	329.90	3.44	-48.85
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273433	0	37	-1.0	-52.49	328.57	2.66	-49.83
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC=C1C(F)(F)F	REAL300017273434	0	36	-1.0	-36.26	305.05	3.37	-32.89
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017273435	0	41	-1.0	-52.03	363.73	5.82	-46.21
COC(=O)CC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273436	0	39	-1.0	-59.20	334.60	3.90	-55.30
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC12CCC(CC1)C2	REAL300017273437	0	40	-1.0	-56.51	309.03	3.59	-52.92
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017273438	0	36	-1.0	-56.41	320.27	4.52	-51.89
COC(=O)C1(CS(=O)(=O)N(C)C2(C(=O)[O-])COC2)CCC1	REAL300017273439	0	39	-1.0	-61.42	319.17	2.68	-58.74
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017273440	0	30	-1.0	-47.30	290.13	2.33	-44.97
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273441	0	43	-1.0	-55.73	366.62	2.79	-52.94
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273442	0	46	-1.0	-55.26	388.48	3.72	-51.54
COC(=O)C1(CS(=O)(=O)N(C)C2(C(=O)[O-])COC2)CCCCC1	REAL300017273443	0	45	-1.0	-55.76	338.28	4.61	-51.15
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273444	0	38	-1.0	-60.74	322.86	3.25	-57.49
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017273445	0	32	-1.0	-59.87	286.45	1.72	-58.15
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017273446	0	34	-1.0	-47.96	292.71	2.60	-45.36
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300017273447	0	43	-1.0	-59.25	356.52	6.26	-52.99
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017273448	0	33	-1.0	-55.23	315.14	4.24	-50.99
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017273449	0	33	-1.0	-55.74	306.01	3.83	-51.91
COC1=CC=C(Br)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1F	REAL300017273450	0	34	-1.0	-43.91	296.33	1.90	-42.01
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273451	0	40	-1.0	-55.77	334.28	4.75	-51.02
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CCC(C)(C)C1CC1	REAL300017273452	0	42	-1.0	-55.14	323.09	4.03	-51.11
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017273453	0	34	-1.0	-46.09	305.40	3.70	-42.39
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CCCC(C)(F)F	REAL300017273454	0	35	-1.0	-58.59	300.30	2.41	-56.18
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CCCC1=CC=CC=C1	REAL300017273455	0	39	-1.0	-56.07	327.58	4.52	-51.55
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C(C(N)=O)O1	REAL300017273456	0	34	-1.0	-42.49	296.95	-1.75	-44.24
CCCC1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273460	0	39	-1.0	-52.09	313.93	5.05	-47.04
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017273461	0	39	-1.0	-57.15	322.98	2.96	-54.19
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CSC=C1C(F)F	REAL300017273462	0	30	-1.0	-51.04	278.71	2.50	-48.54
CN(C1(C(=O)[O-])COC1)S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017273463	0	36	-1.0	-56.62	311.54	4.09	-52.53
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273464	0	46	-1.0	-45.58	363.20	4.85	-40.73
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017273465	0	35	-1.0	-48.28	290.67	2.97	-45.31
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)=CC=C21	REAL300017273466	0	50	-1.0	-56.01	378.76	4.71	-51.30
COC(=O)C1=CN(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273467	0	37	-1.0	-56.27	315.40	2.13	-54.14
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017273468	0	44	-1.0	-39.57	345.08	1.56	-38.01
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017273469	0	45	-1.0	-50.68	360.50	4.10	-46.58
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)C=C21	REAL300017273470	0	44	-1.0	-50.79	350.65	3.38	-47.41
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017273471	0	37	-1.0	-52.22	307.54	2.08	-50.14
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=NN1C1CCC1	REAL300017273472	0	37	-1.0	-46.72	304.64	2.10	-44.62
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017273473	0	40	-1.0	-45.75	323.00	2.53	-43.22
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017273480	0	36	-1.0	-49.92	324.53	3.02	-46.90
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017273481	0	36	-1.0	-55.42	308.31	-0.28	-55.70
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(Br)C=CO1	REAL300017273482	0	27	-1.0	-51.97	257.82	1.07	-50.90
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN=C2CCCCN12	REAL300017273483	0	37	-1.0	-51.22	301.88	2.62	-48.60
COC1=C(F)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1F	REAL300017273484	0	34	-1.0	-38.98	297.54	1.88	-37.10
COC1=CC(F)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1F	REAL300017273485	0	34	-1.0	-41.26	300.11	2.07	-39.19
CCCCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C(C)C	REAL300017273486	0	55	-1.0	-40.25	426.64	6.59	-33.66
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C	REAL300017273487	0	46	-1.0	-51.70	354.68	3.74	-47.96
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273488	0	40	-1.0	-52.87	331.70	3.63	-49.24
CC1=CSC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273489	0	33	-1.0	-39.94	268.10	3.00	-36.94
CC1CC2=CC=CC(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)=C2O1	REAL300017273490	0	38	-1.0	-47.06	316.10	3.27	-43.79
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300017273491	0	38	-1.0	-48.32	326.38	1.79	-46.53
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300017273492	0	38	-1.0	-60.00	325.84	4.66	-55.34
COC1=C(F)C=CC(F)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273493	0	34	-1.0	-48.35	284.20	2.27	-46.08
CC1=C(Br)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C(C)S1	REAL300017273494	0	33	-1.0	-43.40	299.60	3.19	-40.21
CC1=CC(Cl)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C(Br)=C1	REAL300017273495	0	33	-1.0	-53.60	294.98	4.22	-49.38
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)C=C21	REAL300017273496	0	47	-1.0	-64.81	366.58	4.46	-60.35
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017273497	0	36	-1.0	-53.39	302.90	3.29	-50.10
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)C=C21	REAL300017273498	0	44	-1.0	-64.35	347.86	3.60	-60.75
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CSC=C1Cl	REAL300017273499	0	27	-1.0	-40.24	262.33	2.10	-38.14
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Br)=NN1C	REAL300017273500	0	30	-1.0	-40.47	278.21	0.76	-39.71
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017273501	0	32	-1.0	-49.12	290.90	1.60	-47.52
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273502	0	35	-1.0	-52.61	291.40	1.87	-50.74
CN(C1(C(=O)[O-])COC1)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017273503	0	39	-1.0	-49.41	302.20	2.21	-47.20
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017273504	0	34	-1.0	-45.16	313.97	3.22	-41.94
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017273505	0	31	-1.0	-47.13	272.40	1.25	-45.88
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017273506	0	33	-1.0	-51.52	297.37	3.62	-47.90
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017273507	0	34	-1.0	-44.29	314.38	3.24	-41.05
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017273508	0	33	-1.0	-61.01	305.37	1.84	-59.17
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300017273509	0	37	-1.0	-46.44	309.91	1.92	-44.52
CC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C(C)=C1F	REAL300017273510	0	39	-1.0	-42.50	298.23	4.66	-37.84
COC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1OC	REAL300017273511	0	38	-1.0	-51.79	311.84	1.92	-49.87
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017273512	0	39	-1.0	-58.84	325.00	-0.37	-59.21
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300017273513	0	31	-1.0	-35.98	299.17	2.94	-33.04
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=COC2=CC=CC=C12	REAL300017273514	0	33	-1.0	-45.35	289.18	3.02	-42.33
COC1=CC=C(F)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1OC	REAL300017273515	0	38	-1.0	-52.54	307.39	2.16	-50.38
COC(=O)C1=C(Br)OC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273516	0	33	-1.0	-46.77	319.88	1.71	-45.06
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300017273517	0	43	-1.0	-50.38	342.11	2.73	-47.65
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300017273518	0	34	-1.0	-58.38	303.25	3.98	-54.40
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300017273520	0	37	-1.0	-44.74	310.09	2.49	-42.25
CN(C(=O)CC1=C(Cl)C=CC=C1Cl)C1(C(=O)[O-])COC1	REAL300017273521	0	32	-1.0	-52.49	295.52	6.17	-46.32
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017273522	0	34	-1.0	-54.44	296.84	2.03	-52.41
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017273523	0	34	-1.0	-47.37	314.41	3.25	-44.12
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017273524	0	33	-1.0	-54.65	289.19	1.53	-53.12
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300017273525	0	35	-1.0	-55.20	303.25	1.07	-54.13
CC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1Br	REAL300017273527	0	36	-1.0	-39.52	306.29	4.46	-35.06
CN(C1(C(=O)[O-])COC1)S(=O)(=O)N1CCCC(C)(C)C1	REAL300017273528	0	41	-1.0	-51.98	298.39	2.65	-49.33
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017273529	0	36	-1.0	-50.16	327.55	3.60	-46.56
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017273530	0	33	-1.0	-43.48	290.09	2.96	-40.52
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300017273531	0	40	-1.0	-45.02	324.11	2.90	-42.12
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273532	0	48	-1.0	-52.22	365.64	5.64	-46.58
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017273533	0	36	-1.0	-33.50	320.50	3.67	-29.83
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(Cl)SC=C1	REAL300017273534	0	27	-1.0	-39.54	263.33	2.17	-37.37
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017273535	0	40	-1.0	-55.26	332.16	2.96	-52.30
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017273536	0	34	-1.0	-56.57	299.78	3.47	-53.10
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017273537	0	41	-1.0	-43.12	357.20	5.50	-37.62
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300017273538	0	43	-1.0	-62.46	347.39	0.85	-61.61
COC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C2=NC=CC=C2C=C1	REAL300017273539	0	39	-1.0	-68.12	321.65	3.55	-64.57
CCCC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273540	0	39	-1.0	-54.68	322.03	4.67	-50.01
COC(=O)C1=NN(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273541	0	36	-1.0	-44.44	312.50	1.07	-43.37
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300017273542	0	31	-1.0	-41.94	278.91	2.98	-38.96
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C2CCCC2=NN1C	REAL300017273543	0	37	-1.0	-51.82	294.08	1.61	-50.21
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017273544	0	34	-1.0	-46.50	314.09	3.81	-42.69
COC(=O)C1=CC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])COC3)C=C2C=C1	REAL300017273545	0	42	-1.0	-43.19	358.63	4.94	-38.25
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300017273546	0	39	-1.0	-46.39	300.26	2.11	-44.28
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300017273547	0	39	-1.0	-54.75	322.75	2.03	-52.72
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CNN=C1C1CCC1	REAL300017273548	0	37	-1.0	-42.97	301.30	1.62	-41.35
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CN=C1C(F)(F)F	REAL300017273549	0	35	-1.0	-50.03	307.49	2.15	-47.88
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017273550	0	33	-1.0	-34.71	294.73	2.64	-32.07
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(CF)C=C1	REAL300017273551	0	33	-1.0	-55.26	285.60	3.27	-51.99
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017273552	0	30	-1.0	-51.79	285.05	2.77	-49.02
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017273553	0	30	-1.0	-37.56	296.52	2.26	-35.30
CN(C1(C(=O)[O-])COC1)S(=O)(=O)N1CCC(F)(F)CC1	REAL300017273554	0	35	-1.0	-51.29	283.24	1.44	-49.85
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017273555	0	33	-1.0	-47.64	308.66	3.85	-43.79
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017273556	0	33	-1.0	-59.50	283.19	3.80	-55.70
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273557	0	41	-1.0	-64.45	342.39	4.51	-59.94
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017273558	0	41	-1.0	-55.10	324.72	5.40	-49.70
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300017273559	0	40	-1.0	-62.55	336.92	4.11	-58.44
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017273560	0	36	-1.0	-52.17	317.87	3.44	-48.73
CN(C1(C(=O)[O-])COC1)S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017273561	0	36	-1.0	-52.19	299.48	2.88	-49.31
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300017273562	0	35	-1.0	-41.87	317.50	3.14	-38.73
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017273563	0	39	-1.0	-60.54	322.69	1.66	-58.88
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017273564	0	30	-1.0	-52.98	283.59	2.71	-50.27
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300017273565	0	37	-1.0	-53.56	306.86	4.57	-48.99
COC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=CS1	REAL300017273566	0	31	-1.0	-42.98	281.39	1.08	-41.90
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017273567	0	33	-1.0	-50.56	293.28	4.00	-46.56
COC(=O)C1=C(C)SC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273568	0	36	-1.0	-47.39	323.60	2.51	-44.88
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017273569	0	37	-1.0	-44.79	313.41	4.84	-39.95
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017273570	0	40	-1.0	-42.86	322.41	3.22	-39.64
CCC(C)N1N=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273571	0	39	-1.0	-42.26	316.29	2.45	-39.81
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1	REAL300017273572	0	39	-1.0	-59.67	328.74	-0.00	-59.67
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300017273573	0	33	-1.0	-56.89	311.51	-1.37	-58.26
CN(C1CCCCCC1)S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273574	0	44	-1.0	-55.00	322.06	3.10	-51.90
COC1=CC(F)=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273575	0	34	-1.0	-39.26	299.94	2.49	-36.77
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300017273576	0	44	-1.0	-50.39	353.81	1.07	-49.32
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300017273577	0	36	-1.0	-36.44	302.61	3.11	-33.33
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017273578	0	34	-1.0	-43.40	298.10	1.62	-41.78
CN(C1(C(=O)[O-])COC1)S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017273579	0	45	-1.0	-50.07	355.55	4.78	-45.29
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)S1	REAL300017273580	0	31	-1.0	-48.84	282.49	0.63	-48.21
CC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C2=NC=CC=C12	REAL300017273581	0	41	-1.0	-65.75	319.64	4.70	-61.05
CN(C1(C(=O)[O-])COC1)S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017273582	0	38	-1.0	-49.70	315.52	2.24	-47.46
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN(CCF)N=C1	REAL300017273583	0	33	-1.0	-51.88	290.31	1.10	-50.78
CCOCC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273584	0	40	-1.0	-55.93	334.57	3.15	-52.78
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300017273587	0	40	-1.0	-45.44	336.76	3.74	-41.70
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017273588	0	43	-1.0	-53.49	344.59	3.26	-50.23
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017273589	0	41	-1.0	-52.83	346.17	5.15	-47.68
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC=C1CF	REAL300017273590	0	33	-1.0	-41.29	275.33	3.45	-37.84
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC(C)=C1Br	REAL300017273591	0	36	-1.0	-51.20	314.33	4.14	-47.06
CCN1N=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1Cl	REAL300017273592	0	33	-1.0	-40.63	300.65	1.56	-39.07
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017273593	0	34	-1.0	-45.88	309.41	3.79	-42.09
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N(C)C1(C(=O)[O-])COC1)=C2	REAL300017273594	0	36	-1.0	-48.24	343.61	3.39	-44.85
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017273595	0	30	-1.0	-53.03	284.87	3.35	-49.68
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017273596	0	32	-1.0	-43.63	299.74	1.95	-41.68
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017273597	0	35	-1.0	-61.03	309.20	3.47	-57.56
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017273598	0	35	-1.0	-48.09	307.31	3.48	-44.61
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C2=CC=CC=C12	REAL300017273599	0	39	-1.0	-46.97	312.81	5.38	-41.59
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273600	0	34	-1.0	-60.31	308.38	3.36	-56.95
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017273601	0	37	-1.0	-56.64	315.52	2.82	-53.82
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300017273602	0	44	-1.0	-40.75	358.39	3.55	-37.20
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017273603	0	30	-1.0	-41.64	286.23	3.28	-38.36
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)O1	REAL300017273604	0	36	-1.0	-57.77	324.91	-1.36	-59.13
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300017273605	0	40	-1.0	-56.85	339.80	3.71	-53.14
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017273606	0	36	-1.0	-52.37	328.76	0.74	-51.63
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017273607	0	34	-1.0	-40.86	297.56	3.34	-37.52
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017273608	0	34	-1.0	-42.49	312.46	3.89	-38.60
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017273609	0	34	-1.0	-40.75	312.44	3.90	-36.85
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017273610	0	34	-1.0	-50.82	301.49	3.44	-47.38
COC(=O)C1CCCCN1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273611	0	41	-1.0	-59.50	315.74	3.04	-56.46
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300017273612	0	52	-1.0	-44.73	387.95	6.21	-38.52
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300017273613	0	33	-1.0	-36.87	303.98	2.86	-34.01
COC1=CC=C(C=C(C)S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1	REAL300017273614	0	41	-1.0	-53.62	334.28	3.45	-50.17
COC(=O)C=CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1	REAL300017273615	0	40	-1.0	-56.61	344.26	4.35	-52.26
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=NN1	REAL300017273616	0	36	-1.0	-49.35	318.48	0.63	-48.72
COC1=CSC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1OC	REAL300017273617	0	35	-1.0	-49.49	307.50	0.85	-48.64
CN(C(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C)C1(C(=O)[O-])COC1	REAL300017273618	0	47	-1.0	-59.09	317.55	6.58	-52.51
CN(C1(C(=O)[O-])COC1)S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017273619	0	42	-1.0	-52.62	318.05	2.44	-50.18
CN(CCC1=CC=CC=C1)S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273620	0	41	-1.0	-55.68	337.18	4.40	-51.28
CN(C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C1(C(=O)[O-])COC1	REAL300017273621	0	41	-1.0	-58.16	320.38	8.28	-49.88
CN(C(=O)N1CCC(CC2=CC=CC=C2)CC1)C1(C(=O)[O-])COC1	REAL300017273622	0	47	-1.0	-55.02	354.28	8.02	-47.00
CN(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C1(C(=O)[O-])COC1	REAL300017273623	0	48	-1.0	-56.70	356.67	4.42	-52.28
COC(=O)C1CCN(C(=O)N(C)C2(C(=O)[O-])COC2)CC1	REAL300017273624	0	40	-1.0	-57.45	310.78	4.43	-53.02
CN(C(=O)N(C)C1(C(=O)[O-])COC1)C1CCS(=O)(=O)C1	REAL300017273625	0	37	-1.0	-61.51	292.80	0.78	-60.73
CN(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)C1(C(=O)[O-])COC1	REAL300017273626	0	49	-1.0	-58.02	368.87	5.56	-52.46
COC(=O)C1CN(C(=O)N(C)C2(C(=O)[O-])COC2)CCO1	REAL300017273627	0	38	-1.0	-54.18	302.01	2.49	-51.69
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273628	0	34	-1.0	-50.23	293.14	3.12	-47.11
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017273629	0	34	-1.0	-47.24	303.07	2.69	-44.55
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017273630	0	34	-1.0	-42.41	299.56	1.56	-40.85
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300017273631	0	36	-1.0	-46.39	298.45	2.05	-44.34
CC(=O)OC1CCN(C(=O)N(C)C2(C(=O)[O-])COC2)CC1	REAL300017273632	0	40	-1.0	-57.88	311.94	4.68	-53.20
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300017273633	0	37	-1.0	-58.85	310.40	4.17	-54.68
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017273634	0	33	-1.0	-55.65	292.05	3.82	-51.83
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017273635	0	39	-1.0	-51.70	336.48	2.95	-48.75
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017273636	0	27	-1.0	-43.58	283.76	2.29	-41.29
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300017273637	0	30	-1.0	-40.45	279.26	0.73	-39.72
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273638	0	43	-1.0	-49.20	346.27	4.41	-44.79
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC2=C1N(C)C(=O)C2(C)C	REAL300017273639	0	47	-1.0	-53.47	377.06	4.38	-49.09
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017273640	0	33	-1.0	-47.16	309.18	3.20	-43.96
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017273641	0	35	-1.0	-55.29	309.02	3.09	-52.20
COC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273642	0	38	-1.0	-62.56	309.74	1.90	-60.66
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017273643	0	41	-1.0	-43.69	336.45	4.77	-38.92
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300017273644	0	36	-1.0	-61.17	300.05	4.33	-56.84
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017273645	0	35	-1.0	-57.42	311.58	0.99	-56.43
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017273646	0	31	-1.0	-44.14	300.21	1.46	-42.68
CC(=O)OC1CCCN(C(=O)N(C)C2(C(=O)[O-])COC2)C1	REAL300017273647	0	40	-1.0	-66.38	308.50	4.77	-61.61
COCN1N=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273648	0	34	-1.0	-49.09	287.89	-1.94	-51.03
CC1=CC(Cl)=NC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273649	0	32	-1.0	-38.51	281.81	1.92	-36.59
C=C(C)COC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273650	0	41	-1.0	-57.47	341.49	4.09	-53.38
CCN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C(C2CC2)=N1	REAL300017273651	0	40	-1.0	-46.04	334.49	3.29	-42.75
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C2=NSN=C2C=C1	REAL300017273652	0	34	-1.0	-58.84	291.43	1.56	-57.28
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017273653	0	36	-1.0	-41.11	320.71	4.80	-36.31
CC(=O)OC1CCN(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C1	REAL300017273654	0	38	-1.0	-51.12	317.35	1.41	-49.71
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017273655	0	40	-1.0	-52.73	347.62	6.36	-46.37
CCC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC=C1Br	REAL300017273656	0	36	-1.0	-50.70	315.80	4.30	-46.40
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273657	0	43	-1.0	-43.96	343.85	3.75	-40.21
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Cl)=CS1	REAL300017273658	0	27	-1.0	-46.66	266.37	1.64	-45.02
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273659	0	44	-1.0	-45.12	363.69	2.94	-42.18
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017273660	0	36	-1.0	-44.55	313.10	5.39	-39.16
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C2COCCC2=NN1C	REAL300017273661	0	38	-1.0	-45.63	308.56	-0.14	-45.77
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300017273662	0	37	-1.0	-42.66	297.27	4.60	-38.06
CN(C1(C(=O)[O-])COC1)S(=O)(=O)N1CCC(C)(C)CC1	REAL300017273663	0	41	-1.0	-53.30	309.82	2.47	-50.83
CC(=O)OCC1CCN(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)CC1	REAL300017273664	0	44	-1.0	-53.50	351.78	3.16	-50.34
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273665	0	44	-1.0	-64.22	366.32	3.15	-61.07
CN(C1(C(=O)[O-])COC1)S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017273666	0	40	-1.0	-57.39	313.78	-0.28	-57.67
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C(C)=N1	REAL300017273667	0	36	-1.0	-41.41	296.51	-0.02	-41.43
COC1=NC=C(C)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273668	0	36	-1.0	-45.81	305.77	0.42	-45.39
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017273669	0	45	-1.0	-53.74	360.42	2.86	-50.88
COC1=NC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273670	0	33	-1.0	-41.62	301.08	0.27	-41.35
COC1=NC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C	REAL300017273671	0	36	-1.0	-51.58	304.06	-0.24	-51.82
CC(C)CN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=N1	REAL300017273672	0	39	-1.0	-54.76	321.16	2.45	-52.31
CC1=NN(C(C)C)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273673	0	39	-1.0	-44.81	321.60	2.43	-42.38
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017273674	0	29	-1.0	-49.70	285.54	1.13	-48.57
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(C#N)C=CS1	REAL300017273675	0	28	-1.0	-51.81	266.87	1.47	-50.34
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017273676	0	34	-1.0	-51.60	323.12	4.70	-46.90
CC(C)N1N=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273677	0	36	-1.0	-46.38	300.70	1.41	-44.97
COC(=O)C1=NC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C	REAL300017273678	0	38	-1.0	-50.91	323.48	1.65	-49.26
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300017273679	0	33	-1.0	-60.13	299.90	4.66	-55.47
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=NN1CC1CC1	REAL300017273680	0	37	-1.0	-45.91	306.43	2.09	-43.82
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017273681	0	37	-1.0	-50.80	316.06	3.24	-47.56
COC1=NOC(CS(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273682	0	33	-1.0	-58.51	290.82	-1.16	-59.67
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=NN1C(C)C	REAL300017273683	0	39	-1.0	-43.19	320.00	2.35	-40.84
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017273684	0	37	-1.0	-54.23	316.44	4.60	-49.63
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017273685	0	32	-1.0	-55.90	286.00	1.51	-54.39
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1	REAL300017273686	0	44	-1.0	-53.12	367.16	6.02	-47.10
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017273687	0	37	-1.0	-55.37	319.14	4.70	-50.67
CN(C(=O)N1CCC(C(F)(F)F)CC1)C1(C(=O)[O-])COC1	REAL300017273688	0	37	-1.0	-55.93	292.90	5.14	-50.79
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017273689	0	34	-1.0	-45.07	309.41	3.11	-41.96
CN(C(=O)N1CC=C(Br)CC1)C1(C(=O)[O-])COC1	REAL300017273690	0	32	-1.0	-35.42	252.41	4.08	-31.34
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017273691	0	33	-1.0	-44.74	296.37	3.60	-41.14
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017273693	0	37	-1.0	-57.87	317.05	4.89	-52.98
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C(Cl)=C1Cl	REAL300017273694	0	33	-1.0	-42.44	301.57	4.17	-38.27
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017273695	0	34	-1.0	-41.57	310.17	2.53	-39.04
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017273696	0	37	-1.0	-45.94	318.32	4.17	-41.77
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C(C(F)F)=C1	REAL300017273697	0	37	-1.0	-51.53	312.97	2.98	-48.55
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273698	0	36	-1.0	-40.88	323.45	0.76	-40.12
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C2=NC=CC=C12	REAL300017273699	0	38	-1.0	-51.22	316.44	3.83	-47.39
CN(C(=O)N1CC(OCC2=CC=CC=C2)C1)C1(C(=O)[O-])COC1	REAL300017273700	0	42	-1.0	-57.32	340.74	5.36	-51.96
CN(C(=O)N1CC(NC(=O)OC(C)(C)C)C1)C1(C(=O)[O-])COC1	REAL300017273701	0	45	-1.0	-57.61	351.05	2.45	-55.16
CC(=O)OCC1CCN(C(=O)N(C)C2(C(=O)[O-])COC2)CC1	REAL300017273702	0	43	-1.0	-58.93	333.22	5.39	-53.54
COC(=O)C1CCCN(C(=O)N(C)C2(C(=O)[O-])COC2)C1	REAL300017273703	0	40	-1.0	-53.85	311.43	4.04	-49.81
CN(C1(C(=O)[O-])COC1)S(=O)(=O)N1CCC(F)(F)C1	REAL300017273705	0	32	-1.0	-52.14	273.45	0.95	-51.19
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273706	0	43	-1.0	-54.23	346.68	4.22	-50.01
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C(Cl)S1	REAL300017273707	0	30	-1.0	-37.07	279.40	2.97	-34.10
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017273708	0	37	-1.0	-44.92	331.32	3.61	-41.31
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C2CCCCN2N=C1	REAL300017273709	0	37	-1.0	-44.08	302.61	1.92	-42.16
CN1C=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C=N1	REAL300017273710	0	44	-1.0	-57.76	366.10	1.34	-56.42
CC1=CC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C=C1	REAL300017273711	0	47	-1.0	-55.69	382.96	4.31	-51.38
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(C)(=O)=O)CC1	REAL300017273712	0	37	-1.0	-59.97	304.87	0.50	-59.47
CN(C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273713	0	42	-1.0	-56.17	338.69	0.90	-55.27
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C=CC2=CC=CC=C2)CC1	REAL300017273714	0	48	-1.0	-56.55	394.36	4.85	-51.70
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273715	0	50	-1.0	-56.91	397.06	2.66	-54.25
CC1=NNC(C)=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273716	0	47	-1.0	-56.70	375.48	1.39	-55.31
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2=CC=CC=C2)CC1	REAL300017273717	0	47	-1.0	-60.25	386.24	4.43	-55.82
COC1=CC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C=C1	REAL300017273718	0	48	-1.0	-55.90	391.03	2.91	-52.99
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=C(F)C=C2)CC1	REAL300017273719	0	44	-1.0	-54.74	367.94	3.68	-51.06
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=CC(F)=C2)CC1	REAL300017273720	0	44	-1.0	-56.58	368.86	3.74	-52.84
CC1=CC=CC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273721	0	47	-1.0	-56.01	383.85	4.33	-51.68
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=CC=C2F)CC1	REAL300017273722	0	44	-1.0	-57.75	363.88	3.58	-54.17
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2)CC1	REAL300017273723	0	44	-1.0	-56.03	379.18	4.19	-51.84
CC1=CC=C(C)C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273724	0	50	-1.0	-55.38	387.53	4.61	-50.77
CC1=CC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C=C1C	REAL300017273725	0	50	-1.0	-56.06	400.86	4.86	-51.20
C=CCCCS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273726	0	47	-1.0	-59.35	382.15	3.52	-55.83
CC1=CC(C)=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)S1	REAL300017273727	0	47	-1.0	-55.95	392.11	4.08	-51.87
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=C(F)C=CS2)CC1	REAL300017273728	0	41	-1.0	-56.77	359.08	2.78	-53.99
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCC2CCOC2)CC1	REAL300017273729	0	51	-1.0	-60.47	402.04	2.17	-58.30
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2CC(F)(F)C2)CC1	REAL300017273730	0	47	-1.0	-61.63	386.86	3.60	-58.03
CC1=CC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C(C)=C1	REAL300017273731	0	50	-1.0	-55.35	387.51	4.60	-50.75
COC1=CC=CC=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273732	0	48	-1.0	-57.82	385.61	3.52	-54.30
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=CC=C2Cl)CC1	REAL300017273733	0	44	-1.0	-54.28	368.86	3.98	-50.30
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=C(Cl)N=C2)CC1	REAL300017273734	0	43	-1.0	-54.88	374.31	2.30	-52.58
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=CC(C#N)=C2)CC1	REAL300017273735	0	45	-1.0	-59.80	383.28	4.07	-55.73
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=C(C#N)C=C2)CC1	REAL300017273736	0	45	-1.0	-57.30	382.36	4.01	-53.29
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=CC=C2C#N)CC1	REAL300017273737	0	45	-1.0	-59.30	370.79	3.61	-55.69
CC1=NOC(C)=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273738	0	46	-1.0	-54.30	373.42	2.58	-51.72
CCC1=CC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C=C1	REAL300017273739	0	50	-1.0	-55.42	404.43	5.04	-50.38
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300017273740	0	44	-1.0	-54.40	378.27	4.12	-50.28
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300017273741	0	44	-1.0	-56.04	361.54	3.60	-52.44
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=CS2)CC1	REAL300017273742	0	41	-1.0	-56.09	354.39	2.67	-53.42
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCC2CCCC2)CC1	REAL300017273743	0	53	-1.0	-58.83	412.04	4.79	-54.04
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCC2CCCCC2)CC1	REAL300017273744	0	56	-1.0	-58.78	428.53	5.37	-53.41
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CNN=C2Cl)CC1	REAL300017273745	0	41	-1.0	-58.18	354.44	0.25	-57.93
CC1=CSC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273746	0	44	-1.0	-55.52	376.03	3.33	-52.19
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCOCC2CC2)CC1	REAL300017273747	0	51	-1.0	-57.76	413.54	3.01	-54.75
COC1=CC=CC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273748	0	48	-1.0	-57.65	391.94	2.97	-54.68
COC1=CC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C=N1	REAL300017273749	0	47	-1.0	-55.35	389.63	0.36	-54.99
CC1=CC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)O1	REAL300017273750	0	44	-1.0	-56.59	367.04	2.48	-54.11
C=C(C)CS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273751	0	44	-1.0	-58.76	360.68	2.61	-56.15
CCCS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273752	0	43	-1.0	-58.95	347.84	2.17	-56.78
CC1=CC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)S1	REAL300017273753	0	44	-1.0	-55.71	375.37	3.43	-52.28
CCCCS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273754	0	46	-1.0	-58.92	369.34	2.95	-55.97
CCN(CC)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273755	0	48	-1.0	-56.35	376.81	2.46	-53.89
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)N2CCCCCC2)CC1	REAL300017273756	0	52	-1.0	-56.45	394.45	3.70	-52.75
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=CN=C2Cl)CC1	REAL300017273757	0	43	-1.0	-56.25	364.07	2.13	-54.12
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)N2CCOCC2)CC1	REAL300017273758	0	47	-1.0	-55.90	369.13	0.30	-55.60
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2=CC=C(F)C=C2)CC1	REAL300017273759	0	47	-1.0	-60.76	392.66	4.50	-56.26
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)N2CCCCC2)CC1	REAL300017273760	0	49	-1.0	-55.49	375.84	2.60	-52.89
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)N2CCCC2)CC1	REAL300017273761	0	46	-1.0	-56.16	364.96	1.96	-54.20
CC1=CC(F)=CC=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273762	0	47	-1.0	-54.39	371.55	4.00	-50.39
CC1CCN(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)CC1	REAL300017273763	0	52	-1.0	-55.97	400.48	3.43	-52.54
CC1CC(C)CN(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C1	REAL300017273764	0	55	-1.0	-55.62	421.31	4.00	-51.62
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)N2CC3CCC2C3)CC1	REAL300017273765	0	50	-1.0	-57.21	389.92	3.21	-54.00
CC(C)N1C=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C=N1	REAL300017273766	0	50	-1.0	-56.89	407.22	2.76	-54.13
CC(C)N1C=NC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273767	0	50	-1.0	-59.38	407.88	4.06	-55.32
CC(C)C1=NC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=CN1	REAL300017273768	0	50	-1.0	-59.40	405.35	2.08	-57.32
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2(C)CC2)CC1	REAL300017273769	0	44	-1.0	-52.48	354.40	3.11	-49.37
CC1=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C(N)=NO1	REAL300017273770	0	45	-1.0	-54.30	368.00	1.05	-53.25
CC1=CC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C=N1	REAL300017273771	0	46	-1.0	-55.91	379.05	2.49	-53.42
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC(C)(C)C)CC1	REAL300017273772	0	49	-1.0	-57.97	376.84	3.54	-54.43
CC1CC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)CCO1	REAL300017273773	0	51	-1.0	-59.08	386.78	1.95	-57.13
CCOCC(C)CS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273774	0	53	-1.0	-60.15	418.37	2.98	-57.17
CC(CC#N)N(C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273775	0	49	-1.0	-67.53	395.03	2.70	-64.83
CCN(CC(C)C#N)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273776	0	52	-1.0	-58.62	409.84	3.73	-54.89
CC(C#N)CN(C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273777	0	49	-1.0	-60.11	401.10	2.97	-57.14
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCC2=CC=CS2)CC1	REAL300017273778	0	47	-1.0	-58.69	397.98	4.29	-54.40
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1	REAL300017273779	0	48	-1.0	-60.89	395.93	3.92	-56.97
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CN=NN2C)CC1	REAL300017273780	0	43	-1.0	-55.86	353.95	-0.00	-55.86
CC(C(=O)N(C)C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273781	0	50	-1.0	-59.19	397.21	1.69	-57.50
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCC2CCC2)CC1	REAL300017273782	0	50	-1.0	-58.88	396.07	4.25	-54.63
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCCC(C)(C)C)CC1	REAL300017273783	0	55	-1.0	-58.90	424.58	4.64	-54.26
COCC1(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)CC1	REAL300017273784	0	48	-1.0	-54.52	383.51	3.08	-51.44
CC1=CC=C(F)C=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273785	0	47	-1.0	-55.31	372.51	4.00	-51.31
CC1=CC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C(F)=C1	REAL300017273786	0	47	-1.0	-57.09	385.30	4.27	-52.82
CC1=CC=CC=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273787	0	47	-1.0	-55.63	366.10	3.93	-51.70
CC1=NC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=CN1C	REAL300017273788	0	47	-1.0	-60.97	385.97	2.56	-58.41
CC1=CC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=CC=C1F	REAL300017273789	0	47	-1.0	-54.76	389.16	4.37	-50.39
CC1=CC=C(F)C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273790	0	47	-1.0	-57.07	385.30	4.26	-52.81
CC1=CC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C=C1F	REAL300017273791	0	47	-1.0	-56.49	389.17	4.38	-52.11
CN1C=NC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273792	0	44	-1.0	-60.86	366.46	2.76	-58.10
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=CN=C2)CC1	REAL300017273793	0	43	-1.0	-56.91	357.44	1.89	-55.02
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCCC#N)CC1	REAL300017273794	0	44	-1.0	-68.49	368.70	2.69	-65.80
CC1CCCCN1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273795	0	52	-1.0	-55.94	389.09	3.39	-52.55
CC(C)N(C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273796	0	48	-1.0	-56.26	374.74	2.14	-54.12
CCCN(CCC)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273797	0	54	-1.0	-55.97	419.41	3.96	-52.01
CN(CCC#N)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273798	0	46	-1.0	-60.04	381.95	2.29	-57.75
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCC2=CC=CC=C2)CC1	REAL300017273799	0	50	-1.0	-58.94	407.75	5.20	-53.74
CCCCN(C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273800	0	51	-1.0	-56.39	404.09	3.33	-53.06
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2CC2)CC1	REAL300017273801	0	41	-1.0	-62.40	333.34	1.91	-60.49
CC1=C(F)C=CC=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273802	0	47	-1.0	-54.95	370.91	3.98	-50.97
COCCC(C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273803	0	50	-1.0	-53.29	394.80	2.13	-51.16
CCC(C)CS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273804	0	49	-1.0	-58.65	381.81	3.56	-55.09
CCN(CC1CC1)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273805	0	52	-1.0	-56.07	410.44	4.10	-51.97
CCCN1C=NC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273806	0	50	-1.0	-59.86	409.76	4.42	-55.44
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=C(C#N)SC=C2)CC1	REAL300017273807	0	42	-1.0	-60.23	364.82	2.73	-57.50
CCC1(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)CC1	REAL300017273808	0	47	-1.0	-57.62	356.98	3.49	-54.13
CCC1CCN(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)CC1	REAL300017273809	0	55	-1.0	-55.22	414.80	3.84	-51.38
CC1=NC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)N1C	REAL300017273810	0	47	-1.0	-56.49	381.63	2.72	-53.77
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCC(C)(C)C)CC1	REAL300017273811	0	52	-1.0	-58.65	403.08	3.88	-54.77
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2CCOCC2)CC1	REAL300017273812	0	51	-1.0	-59.21	395.46	2.35	-56.86
CC1CCN(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C1	REAL300017273813	0	49	-1.0	-55.73	386.22	2.55	-53.18
COC(=O)C(C)CS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273814	0	49	-1.0	-58.10	397.28	2.95	-55.15
CCC1=CC=CC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273815	0	50	-1.0	-55.93	405.34	5.10	-50.83
CC(C)CN(C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273816	0	51	-1.0	-56.27	401.03	3.23	-53.04
CCN(C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273817	0	45	-1.0	-56.45	361.10	1.79	-54.66
CN(C1CCCC1)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273818	0	52	-1.0	-55.40	399.25	3.48	-51.92
CCCN(C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273819	0	48	-1.0	-56.32	382.59	2.55	-53.77
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2=CC=CC=C2F)CC1	REAL300017273820	0	47	-1.0	-61.36	390.65	4.40	-56.96
CC1=NC(C)=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)S1	REAL300017273821	0	46	-1.0	-56.16	387.66	2.04	-54.12
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2CCCC2)CC1	REAL300017273822	0	50	-1.0	-58.41	388.68	4.07	-54.34
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2CCCCC2)CC1	REAL300017273823	0	53	-1.0	-58.43	404.29	4.75	-53.68
COC(=O)CCCS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273824	0	49	-1.0	-66.18	403.31	2.99	-63.19
CC1=NNC=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273825	0	44	-1.0	-57.04	353.28	0.39	-56.65
CN(C1CC1)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273826	0	46	-1.0	-56.06	367.59	2.30	-53.76
CCOC(=O)CCS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273827	0	49	-1.0	-59.27	403.67	3.14	-56.13
CC1=CC=CC(CS(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273828	0	50	-1.0	-60.18	407.66	5.09	-55.09
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2=CC=CC(F)=C2)CC1	REAL300017273829	0	47	-1.0	-60.94	392.66	4.50	-56.44
CC1=CC=CC=C1CS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273830	0	50	-1.0	-59.56	401.14	4.93	-54.63
COCCS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273831	0	44	-1.0	-57.79	360.02	0.46	-57.33
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CN=CC(F)=C2)CC1	REAL300017273832	0	43	-1.0	-54.57	363.85	1.95	-52.62
CC(C(F)(F)F)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273833	0	43	-1.0	-51.86	360.87	2.59	-49.27
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCC2CCCO2)CC1	REAL300017273834	0	51	-1.0	-59.29	403.35	2.45	-56.84
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2(C#N)CC2)CC1	REAL300017273835	0	45	-1.0	-70.04	374.91	3.10	-66.94
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2(C)CCCCC2)CC1	REAL300017273836	0	56	-1.0	-58.39	412.32	5.19	-53.20
CCC1=CC=CC=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273837	0	50	-1.0	-56.84	389.45	5.32	-51.52
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=CO2)CC1	REAL300017273838	0	41	-1.0	-56.76	345.13	1.66	-55.10
CCOCCS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273839	0	47	-1.0	-57.69	381.87	1.43	-56.26
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCS(C)(=O)=O)CC1	REAL300017273840	0	46	-1.0	-66.58	389.98	-1.04	-67.62
CCN1C=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)N=C1C	REAL300017273841	0	50	-1.0	-61.78	408.05	3.46	-58.32
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2CCCO2)CC1	REAL300017273842	0	48	-1.0	-62.00	381.92	2.04	-59.96
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2CCCCO2)CC1	REAL300017273843	0	51	-1.0	-61.08	400.43	2.71	-58.37
CC(C)CS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273844	0	46	-1.0	-58.63	363.58	2.92	-55.71
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2CC2)CC1	REAL300017273845	0	44	-1.0	-59.08	357.93	2.96	-56.12
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=C(C#N)N=C2)CC1	REAL300017273846	0	44	-1.0	-57.18	378.39	2.19	-54.99
CCN1C=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C=N1	REAL300017273847	0	47	-1.0	-57.69	388.53	2.23	-55.46
CC(C)CCS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273848	0	49	-1.0	-58.80	386.91	3.48	-55.32
CC(C1CC1)N(C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273849	0	52	-1.0	-55.65	401.93	3.46	-52.19
CN1N=CC=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273850	0	44	-1.0	-54.97	361.65	1.35	-53.62
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2CCOC2)CC1	REAL300017273851	0	48	-1.0	-60.76	380.78	1.55	-59.21
CCCCCS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273852	0	49	-1.0	-58.93	390.84	3.73	-55.20
COCCN(C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273853	0	49	-1.0	-56.85	391.78	1.00	-55.85
CN(CC1CC1)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273854	0	49	-1.0	-56.58	392.57	3.26	-53.32
CCC(CC)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273855	0	49	-1.0	-61.82	365.70	3.39	-58.43
CC1=CC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C(C)O1	REAL300017273856	0	47	-1.0	-55.77	375.64	2.91	-52.86
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CN=C3CCCN23)CC1	REAL300017273857	0	48	-1.0	-58.01	390.43	3.11	-54.90
CC1=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)SC=C1	REAL300017273858	0	44	-1.0	-55.94	370.22	3.28	-52.66
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2CCOC2)CC1	REAL300017273859	0	45	-1.0	-58.25	355.06	0.65	-57.60
C=CCCS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273860	0	44	-1.0	-58.57	360.66	2.74	-55.83
CC(C)CC(C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273861	0	52	-1.0	-57.51	397.32	3.92	-53.59
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=C(C#N)S2)CC1	REAL300017273862	0	42	-1.0	-56.96	374.97	3.22	-53.74
COC1=CN=CC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273863	0	47	-1.0	-56.02	387.02	1.15	-54.87
COCC(C)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273864	0	47	-1.0	-52.78	377.00	1.32	-51.46
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCCF)CC1	REAL300017273865	0	43	-1.0	-61.38	354.44	2.31	-59.07
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CC1=NC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)S1	REAL300017273871	0	43	-1.0	-55.32	370.99	1.50	-53.82
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CC1=CC=CC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1F	REAL300017273874	0	47	-1.0	-57.73	384.19	4.23	-53.50
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CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCC2CC2)CC1	REAL300017273876	0	47	-1.0	-58.58	378.54	3.68	-54.90
COCCOCCS(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273877	0	51	-1.0	-59.39	415.50	0.69	-58.70
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CSC=C2)CC1	REAL300017273878	0	41	-1.0	-55.22	353.55	2.57	-52.65
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CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=C(C#N)O2)CC1	REAL300017273881	0	42	-1.0	-57.80	366.37	2.21	-55.59
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CC1=CC=C(CS(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C=C1	REAL300017273884	0	50	-1.0	-60.31	407.65	5.10	-55.21
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CN=CC(C#N)=C2)CC1	REAL300017273885	0	44	-1.0	-57.23	378.30	2.27	-54.96
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CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCC(C)(C)C2CC2)CC1	REAL300017273890	0	56	-1.0	-58.91	426.77	5.13	-53.78
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CCCC(C)(F)F)CC1	REAL300017273891	0	49	-1.0	-63.42	401.96	3.86	-59.56
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2(F)CC2)CC1	REAL300017273892	0	44	-1.0	-62.59	362.35	2.96	-59.63
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CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)OCC(F)(F)F)CC1	REAL300017273894	0	40	-1.0	-50.52	339.21	4.11	-46.41
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CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)CC2(F)CCC2)CC1	REAL300017273904	0	47	-1.0	-62.16	379.75	3.54	-58.62
CC1=CSC(C)=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273905	0	47	-1.0	-53.82	377.61	3.99	-49.83
CCN1N=NC=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273906	0	46	-1.0	-55.27	373.40	0.91	-54.36
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1	REAL300017273907	0	53	-1.0	-56.14	405.01	3.44	-52.70
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)CC2=CC=CC=C2)CC1	REAL300017273908	0	46	-1.0	-55.85	365.57	6.66	-49.19
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)N2CCCC(C)(C)C2)CC1	REAL300017273909	0	55	-1.0	-55.91	415.98	4.01	-51.90
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CC1=CC=CC(C)=C1S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273911	0	50	-1.0	-54.56	382.91	5.02	-49.54
CC1=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)N=CN1	REAL300017273912	0	44	-1.0	-60.14	360.49	1.79	-58.35
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=C(CF)C=C2)CC1	REAL300017273913	0	47	-1.0	-56.97	389.52	4.42	-52.55
CC1=NN(C)C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273914	0	47	-1.0	-54.95	383.60	1.94	-53.01
CC1=CC=CC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1C	REAL300017273915	0	50	-1.0	-55.40	384.12	4.53	-50.87
CN(C1CCC1)S(=O)(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273916	0	49	-1.0	-55.80	381.74	2.75	-53.05
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CCC1=CC=C(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)O1	REAL300017273918	0	47	-1.0	-56.32	388.53	3.26	-53.06
CCC(C)OC(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273919	0	46	-1.0	-51.88	360.62	5.15	-46.73
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=CC=C2CF)CC1	REAL300017273920	0	47	-1.0	-59.44	378.72	4.56	-54.88
CC1=CN=CC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273921	0	46	-1.0	-55.52	378.89	2.52	-53.00
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)C2=CC=C(Cl)O2)CC1	REAL300017273922	0	41	-1.0	-55.31	362.19	2.28	-53.03
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1	REAL300017273923	0	55	-1.0	-54.31	394.26	6.57	-47.74
COC1CN(C(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C1	REAL300017273924	0	46	-1.0	-53.10	356.64	2.59	-50.51
CCN(C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1)C1=CC=CC=C1	REAL300017273925	0	51	-1.0	-57.67	378.31	6.99	-50.68
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2CCOC2=O)CC1	REAL300017273926	0	42	-1.0	-66.63	329.26	3.49	-63.14
CN(C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1)C1=CC=CC=C1	REAL300017273927	0	48	-1.0	-57.98	361.62	6.22	-51.76
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2CC3CC2C3)CC1	REAL300017273928	0	46	-1.0	-55.07	347.43	5.01	-50.06
CN1N=CC(C(=O)[O-])=C1CN1CCN(S(=O)(=O)N2CC3CC2C3)CC1	REAL300017273929	0	47	-1.0	-56.93	374.17	2.56	-54.37
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2CCCC2=O)CC1	REAL300017273930	0	44	-1.0	-58.02	338.27	4.08	-53.94
CC1=COC(S(=O)(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)=C1	REAL300017273931	0	44	-1.0	-56.32	367.03	2.33	-53.99
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2CCCC3=CC=CC=C32)CC1	REAL300017273932	0	52	-1.0	-58.52	386.47	7.65	-50.87
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2CCC3=CC=CC=C3C2)CC1	REAL300017273933	0	52	-1.0	-52.74	392.11	7.27	-45.47
CCN(CC)C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273934	0	47	-1.0	-57.30	350.43	4.88	-52.42
CCN(C)C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273935	0	44	-1.0	-57.69	333.21	4.08	-53.61
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2CCC(F)(F)CC2)CC1	REAL300017273936	0	48	-1.0	-53.28	366.33	5.33	-47.95
CC1CCN(C(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)CC1	REAL300017273937	0	51	-1.0	-55.00	374.04	5.42	-49.58
CC1CCCC(C)N1C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273938	0	54	-1.0	-56.34	382.98	5.93	-50.41
CCCCN(C)C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273939	0	50	-1.0	-57.64	376.20	5.61	-52.03
CC1CCCN(C(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C1	REAL300017273940	0	51	-1.0	-53.34	374.89	5.72	-47.62
CC1CCCCN1C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273941	0	51	-1.0	-53.79	369.65	5.77	-48.02
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2CC3=CC=CC=C3C2)CC1	REAL300017273942	0	49	-1.0	-56.01	377.71	6.28	-49.73
CN(CC1=CC=CC=C1)C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273943	0	51	-1.0	-58.60	391.25	7.06	-51.54
COC(=O)C1CCN(C(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)CC1	REAL300017273944	0	54	-1.0	-57.42	407.80	5.44	-51.98
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2CCSCC2)CC1	REAL300017273945	0	46	-1.0	-53.40	355.70	4.98	-48.42
CC(C)N(C)C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273946	0	47	-1.0	-57.40	349.30	4.59	-52.81
CN(C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1)C1CCCC1	REAL300017273947	0	51	-1.0	-52.61	374.00	5.94	-46.67
CCCN(C)C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273948	0	47	-1.0	-57.57	354.71	4.83	-52.74
CC(C)CN(C)C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273949	0	50	-1.0	-57.53	369.26	5.39	-52.14
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2CCS(=O)(=O)CC2)CC1	REAL300017273950	0	48	-1.0	-59.61	374.56	1.30	-58.31
CN(C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1)C1CCOCC1	REAL300017273951	0	52	-1.0	-57.02	381.64	4.05	-52.97
CN(C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1)C1CCS(=O)(=O)C1	REAL300017273952	0	51	-1.0	-65.84	391.31	1.71	-64.13
CN(CC(F)(F)F)C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273953	0	44	-1.0	-58.04	348.16	4.38	-53.66
CN(C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1)C1=CC=C(F)C=C1	REAL300017273954	0	48	-1.0	-57.71	367.77	6.33	-51.38
CCC(C)(C)N(C)C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273955	0	53	-1.0	-53.88	377.14	5.36	-48.52
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2CCCC(C)(C)C2)CC1	REAL300017273956	0	54	-1.0	-55.21	389.52	6.16	-49.05
COC(=O)[C@@H]1CCCN1C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1	REAL300017273957	0	51	-1.0	-58.39	390.57	5.50	-52.89
C[C@@H]1CN(C(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)C[C@H](C)O1	REAL300017273958	0	52	-1.0	-55.28	386.34	3.90	-51.38
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2CCC2)CC1	REAL300017273959	0	42	-1.0	-56.85	323.10	3.74	-53.11
CN(C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1)C1CC1	REAL300017273960	0	45	-1.0	-52.77	339.92	4.54	-48.23
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2CCC=C(Cl)C2)CC1	REAL300017273961	0	46	-1.0	-54.06	362.00	5.54	-48.52
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2CC3CC3C2)CC1	REAL300017273962	0	46	-1.0	-52.89	348.46	5.15	-47.74
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1	REAL300017273963	0	52	-1.0	-52.64	378.87	5.93	-46.71
CN(C(=O)N1CCN(CC2=C(C(=O)[O-])C=NN2C)CC1)C1CCC1	REAL300017273964	0	48	-1.0	-52.90	356.10	5.11	-47.79
CN1N=CC(C(=O)[O-])=C1CN1CCN(C(=O)N2C[C@@H]3CC[C@@H]3C2)CC1	REAL300017273965	0	49	-1.0	-55.13	363.60	5.34	-49.79
COC(=O)C1CN(C(=O)N2CCN(CC3=C(C(=O)[O-])C=NN3C)CC2)CCO1	REAL300017273966	0	52	-1.0	-54.84	400.71	4.19	-50.65
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017276358	0	40	-1.0	-42.28	338.16	6.34	-35.94
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017276364	0	37	-1.0	-41.09	327.09	5.86	-35.23
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C	REAL300017276368	0	46	-1.0	-59.97	373.04	4.75	-55.22
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017276374	0	37	-1.0	-49.48	332.01	4.23	-45.25
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1C(C)C	REAL300017276375	0	53	-1.0	-43.05	412.47	7.43	-35.62
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300017276376	0	42	-1.0	-52.47	344.28	7.08	-45.39
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017276379	0	48	-1.0	-43.26	399.95	7.81	-35.45
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C(F)F)CCCC1	REAL300017276385	0	43	-1.0	-43.39	328.20	5.84	-37.55
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC(OCC)C1CC1	REAL300017276387	0	44	-1.0	-41.31	345.31	4.88	-36.43
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300017276397	0	40	-1.0	-41.99	337.95	5.19	-36.80
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CCOC)N=C1	REAL300017276399	0	41	-1.0	-43.98	341.52	1.93	-42.05
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC	REAL300017276406	0	43	-1.0	-45.71	357.15	5.37	-40.34
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CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1COC	REAL300017276408	0	41	-1.0	-54.59	326.54	4.83	-49.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300017276409	0	38	-1.0	-40.83	332.39	4.41	-36.42
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017276410	0	37	-1.0	-58.94	349.32	2.02	-56.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017276411	0	37	-1.0	-42.25	325.27	3.38	-38.87
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017276412	0	45	-1.0	-44.54	358.42	5.62	-38.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300017276413	0	42	-1.0	-45.80	359.31	1.15	-44.65
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300017276414	0	45	-1.0	-45.15	380.78	2.03	-43.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(CNC(=O)CC)=C1	REAL300017276415	0	51	-1.0	-46.30	413.36	3.61	-42.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(CC)C=C1	REAL300017276416	0	43	-1.0	-42.84	346.87	6.63	-36.21
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC=C1Br	REAL300017276417	0	38	-1.0	-57.03	326.66	4.86	-52.17
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017276418	0	49	-1.0	-42.01	396.22	4.89	-37.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300017276419	0	43	-1.0	-43.09	364.66	2.86	-40.23
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017276420	0	36	-1.0	-40.87	328.60	4.27	-36.60
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1	REAL300017276421	0	39	-1.0	-41.18	340.01	5.48	-35.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl	REAL300017276422	0	39	-1.0	-65.64	335.39	5.81	-59.83
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300017276423	0	35	-1.0	-37.51	323.07	5.36	-32.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1	REAL300017276424	0	41	-1.0	-40.83	354.24	5.34	-35.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017276425	0	48	-1.0	-41.47	397.58	3.90	-37.57
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017276426	0	37	-1.0	-48.28	314.71	5.25	-43.03
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OCC)=CC(F)=C1OC	REAL300017276427	0	47	-1.0	-43.93	392.22	6.13	-37.80
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCOC(C)(C)C1	REAL300017276428	0	43	-1.0	-41.10	325.91	3.14	-37.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300017276429	0	44	-1.0	-44.06	356.45	5.34	-38.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300017276430	0	50	-1.0	-42.37	392.94	6.72	-35.65
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017276431	0	48	-1.0	-43.16	374.80	6.65	-36.51
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300017276432	0	47	-1.0	-42.45	373.98	6.11	-36.34
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1	REAL300017276433	0	44	-1.0	-42.43	353.88	5.42	-37.01
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300017276434	0	38	-1.0	-40.95	327.96	4.30	-36.65
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017276435	0	38	-1.0	-42.85	337.75	4.57	-38.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300017276436	0	41	-1.0	-42.93	330.57	4.43	-38.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300017276437	0	47	-1.0	-42.96	371.17	6.03	-36.93
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1C	REAL300017276438	0	41	-1.0	-55.36	325.30	4.82	-50.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300017276439	0	45	-1.0	-44.37	366.00	3.89	-40.48
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCOC)C(C)=C1	REAL300017276440	0	48	-1.0	-46.13	386.05	4.62	-41.51
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1F	REAL300017276441	0	37	-1.0	-46.53	309.39	5.22	-41.31
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])=C1	REAL300017276442	0	45	-1.0	-50.51	373.23	4.12	-46.39
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017276443	0	49	-1.0	-42.97	386.80	3.90	-39.07
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300017276444	0	44	-1.0	-53.16	352.76	4.26	-48.90
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C=C1Br	REAL300017276445	0	37	-1.0	-55.30	318.67	6.19	-49.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300017276446	0	40	-1.0	-62.99	354.87	2.92	-60.07
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC	REAL300017276447	0	40	-1.0	-49.23	345.10	6.59	-42.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017276448	0	35	-1.0	-37.09	318.67	5.25	-31.84
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1C	REAL300017276449	0	37	-1.0	-52.69	317.12	6.13	-46.56
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300017276450	0	42	-1.0	-48.35	329.44	7.14	-41.21
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl	REAL300017276451	0	40	-1.0	-60.30	348.93	6.05	-54.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300017276452	0	43	-1.0	-65.51	356.53	3.04	-62.47
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300017276453	0	38	-1.0	-53.03	324.11	6.62	-46.41
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300017276454	0	35	-1.0	-37.03	318.69	5.25	-31.78
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1	REAL300017276455	0	50	-1.0	-49.18	394.48	6.17	-43.01
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017276456	0	46	-1.0	-47.47	390.05	2.25	-45.22
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300017276457	0	42	-1.0	-47.85	357.65	0.57	-47.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCNC(C)=O)S1	REAL300017276458	0	44	-1.0	-46.70	377.56	3.38	-43.32
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300017276459	0	37	-1.0	-43.31	322.23	3.67	-39.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N=C(C)S1	REAL300017276460	0	36	-1.0	-42.64	307.47	3.01	-39.63
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017276461	1	36	-1.0	-45.87	303.24	5.86	-40.01
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017276462	0	37	-1.0	-38.31	337.56	6.19	-32.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)NC(C(=O)OCC)=C1C	REAL300017276463	0	47	-1.0	-42.88	375.27	4.94	-37.94
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017276464	0	34	-1.0	-40.59	302.91	5.37	-35.22
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300017276465	0	40	-1.0	-45.52	361.08	5.04	-40.48
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017276466	0	54	-1.0	-42.76	415.61	8.02	-34.74
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017276467	0	44	-1.0	-46.75	379.73	4.03	-42.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C	REAL300017276468	0	43	-1.0	-62.91	350.53	6.17	-56.74
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017276469	0	36	-1.0	-45.08	318.79	6.60	-38.48
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F	REAL300017276470	0	42	-1.0	-44.05	339.01	3.58	-40.47
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300017276471	0	45	-1.0	-57.32	354.51	4.72	-52.60
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017276472	1	36	-1.0	-40.20	327.30	6.91	-33.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300017276473	0	42	-1.0	-48.25	336.42	6.27	-41.98
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017276474	0	37	-1.0	-47.65	321.34	5.39	-42.26
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300017276475	0	39	-1.0	-45.40	325.00	0.60	-44.80
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300017276476	0	37	-1.0	-52.81	312.56	6.02	-46.79
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCC1C(=O)OCC	REAL300017276477	0	45	-1.0	-65.41	347.13	5.45	-59.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300017276478	0	42	-1.0	-46.23	346.93	2.08	-44.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300017276479	0	44	-1.0	-41.61	335.12	5.30	-36.31
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017276480	0	42	-1.0	-59.38	353.96	4.59	-54.79
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1	REAL300017276481	0	43	-1.0	-41.80	359.08	5.85	-35.95
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C(=O)OC)CC1	REAL300017276482	0	45	-1.0	-40.38	352.39	4.71	-35.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017276483	0	45	-1.0	-43.37	357.96	4.56	-38.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1	REAL300017276484	0	43	-1.0	-45.82	358.77	5.89	-39.93
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OCC)O1	REAL300017276485	0	40	-1.0	-43.41	344.09	4.59	-38.82
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1	REAL300017276486	0	47	-1.0	-44.89	387.83	5.46	-39.43
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300017276487	0	44	-1.0	-56.49	344.21	5.64	-50.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017276488	0	38	-1.0	-48.05	319.58	4.77	-43.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCC(=O)OCC	REAL300017276489	0	42	-1.0	-40.82	343.00	4.68	-36.14
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017276490	0	37	-1.0	-42.69	324.60	6.72	-35.97
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017276491	0	36	-1.0	-45.06	323.35	6.70	-38.36
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300017276492	0	39	-1.0	-47.17	317.46	6.71	-40.46
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017276493	0	36	-1.0	-48.55	325.47	6.20	-42.35
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CS1	REAL300017276494	0	31	-1.0	-42.82	286.89	3.64	-39.18
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017276495	0	38	-1.0	-52.98	318.42	5.15	-47.83
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300017276496	0	42	-1.0	-44.47	324.08	5.43	-39.04
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017276497	0	36	-1.0	-39.73	315.92	3.81	-35.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017276498	0	42	-1.0	-43.19	340.00	3.61	-39.58
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017276499	0	33	-1.0	-49.83	310.47	4.05	-45.78
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017276500	0	36	-1.0	-38.45	309.05	5.07	-33.38
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017276501	0	36	-1.0	-39.20	326.83	5.56	-33.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=NNC(C)=C1C(=O)OCC	REAL300017276502	0	43	-1.0	-48.42	363.33	2.98	-45.44
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300017276503	0	39	-1.0	-56.53	330.75	5.13	-51.40
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017276504	0	36	-1.0	-59.13	312.12	5.98	-53.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017276505	0	36	-1.0	-37.27	315.59	5.11	-32.16
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017276506	0	41	-1.0	-41.76	351.95	5.08	-36.68
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017276507	0	36	-1.0	-46.41	324.55	6.72	-39.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017276508	0	48	-1.0	-44.07	392.28	7.67	-36.40
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300017276509	0	42	-1.0	-45.80	357.68	1.04	-44.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1	REAL300017276510	0	42	-1.0	-48.92	345.55	5.72	-43.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCN(C(=O)OCC)CC1	REAL300017276511	0	47	-1.0	-56.74	363.83	3.49	-53.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21	REAL300017276512	0	43	-1.0	-45.59	361.78	5.61	-39.98
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017276513	0	44	-1.0	-43.96	368.96	5.96	-38.00
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017276514	0	37	-1.0	-54.61	310.33	3.60	-51.01
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300017276515	0	56	-1.0	-55.98	413.33	7.95	-48.03
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300017276516	0	42	-1.0	-46.82	354.70	1.09	-45.73
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300017276517	0	37	-1.0	-41.08	310.37	5.30	-35.78
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300017276518	0	40	-1.0	-42.05	346.12	1.92	-40.13
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21	REAL300017276519	0	47	-1.0	-57.09	371.67	7.39	-49.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC=C1OCC	REAL300017276520	0	44	-1.0	-44.66	346.36	6.17	-38.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017276521	0	39	-1.0	-45.47	331.19	4.62	-40.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017276522	0	41	-1.0	-46.39	343.54	5.51	-40.88
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017276523	0	36	-1.0	-39.07	325.43	5.51	-33.56
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300017276524	0	35	-1.0	-58.57	304.97	5.07	-53.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCOCC)C=C1	REAL300017276525	0	48	-1.0	-44.40	387.85	4.85	-39.55
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1	REAL300017276526	0	50	-1.0	-42.29	396.87	6.98	-35.31
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017276527	0	36	-1.0	-44.99	310.63	6.40	-38.59
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1	REAL300017276528	0	40	-1.0	-41.90	341.79	5.13	-36.77
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl	REAL300017276529	0	40	-1.0	-50.97	361.30	6.44	-44.53
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC	REAL300017276530	0	44	-1.0	-47.67	357.76	5.24	-42.43
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)OC)S1	REAL300017276531	0	40	-1.0	-43.84	350.84	5.05	-38.79
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CS1	REAL300017276532	0	37	-1.0	-44.01	329.69	4.22	-39.79
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C	REAL300017276533	0	46	-1.0	-62.57	367.67	6.74	-55.83
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C(=O)OC)=C1	REAL300017276534	0	40	-1.0	-40.83	349.78	5.49	-35.34
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1	REAL300017276535	0	43	-1.0	-43.17	350.81	5.53	-37.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F	REAL300017276536	0	40	-1.0	-44.05	334.94	5.07	-38.98
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017276537	0	44	-1.0	-57.04	335.46	7.37	-49.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017276538	0	40	-1.0	-44.94	326.59	6.18	-38.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300017276539	0	33	-1.0	-39.26	297.38	3.13	-36.13
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017276540	0	38	-1.0	-38.73	337.41	5.85	-32.88
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300017276541	0	39	-1.0	-43.11	316.93	3.66	-39.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017276542	0	39	-1.0	-41.22	331.62	-0.24	-41.46
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300017276543	0	48	-1.0	-45.43	393.33	6.31	-39.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(CC(=O)OC)CC1	REAL300017276544	0	43	-1.0	-48.03	345.47	4.95	-43.08
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC	REAL300017276545	0	39	-1.0	-46.97	340.20	4.63	-42.34
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300017276546	0	37	-1.0	-39.82	307.02	5.06	-34.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300017276547	0	41	-1.0	-43.22	342.61	5.71	-37.51
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300017276548	0	46	-1.0	-44.58	373.38	5.99	-38.59
CCCCCCN1C=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C(=O)NC1=O	REAL300017276549	0	52	-1.0	-44.83	414.17	5.32	-39.51
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1	REAL300017276550	0	44	-1.0	-43.91	366.07	6.31	-37.60
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1	REAL300017276551	0	41	-1.0	-45.63	353.20	3.41	-42.22
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)CC	REAL300017276552	0	41	-1.0	-47.14	344.18	-0.78	-47.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300017276553	0	37	-1.0	-54.84	313.40	5.60	-49.24
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl	REAL300017276554	0	39	-1.0	-55.82	340.42	6.60	-49.22
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)O1	REAL300017276555	0	31	-1.0	-40.46	287.08	3.51	-36.95
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300017276556	0	40	-1.0	-47.29	345.52	6.13	-41.16
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017276557	0	31	-1.0	-50.57	307.87	5.11	-45.46
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017276558	0	37	-1.0	-41.27	328.49	6.01	-35.26
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017276559	0	37	-1.0	-40.96	338.79	6.45	-34.51
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300017276560	0	40	-1.0	-40.20	348.50	7.27	-32.93
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017276561	0	37	-1.0	-54.12	334.64	6.64	-47.48
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017276562	0	40	-1.0	-44.59	324.89	7.14	-37.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017276563	0	40	-1.0	-59.53	338.17	7.61	-51.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300017276564	0	45	-1.0	-43.98	387.20	3.32	-40.66
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)OCC)=C1	REAL300017276565	0	44	-1.0	-45.16	366.02	5.44	-39.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)CC2=C1	REAL300017276566	0	48	-1.0	-47.88	394.47	6.60	-41.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300017276567	0	40	-1.0	-49.63	347.53	1.98	-47.65
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300017276568	0	43	-1.0	-52.13	369.53	4.36	-47.77
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300017276569	0	47	-1.0	-47.99	389.01	5.98	-42.01
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1	REAL300017276570	0	40	-1.0	-44.71	340.59	6.60	-38.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017276571	0	45	-1.0	-45.63	380.33	1.54	-44.09
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017276572	1	35	-1.0	-38.34	311.26	5.10	-33.24
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300017276573	0	45	-1.0	-42.68	357.71	5.12	-37.56
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)N1C	REAL300017276574	0	34	-1.0	-43.15	295.79	3.27	-39.88
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C	REAL300017276575	0	39	-1.0	-56.43	335.36	6.62	-49.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300017276576	0	38	-1.0	-40.62	337.63	5.91	-34.71
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300017276577	0	34	-1.0	-48.58	297.68	4.36	-44.22
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300017276578	0	37	-1.0	-60.42	323.66	5.44	-54.98
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017276579	0	46	-1.0	-47.88	381.41	6.96	-40.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(N(C)C)=CC=C1Br	REAL300017276580	0	42	-1.0	-56.38	348.66	5.97	-50.41
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1	REAL300017276581	0	39	-1.0	-44.19	339.96	4.20	-39.99
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC	REAL300017276582	0	40	-1.0	-57.86	341.21	6.77	-51.09
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(CC)N(C)N=C1CC	REAL300017276583	0	46	-1.0	-43.11	354.53	4.71	-38.40
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1	REAL300017276584	0	41	-1.0	-44.12	342.20	2.01	-42.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300017276585	0	39	-1.0	-42.50	334.00	5.69	-36.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC	REAL300017276586	0	40	-1.0	-57.56	330.89	6.32	-51.24
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017276587	0	37	-1.0	-52.94	319.92	4.24	-48.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017276588	0	37	-1.0	-39.52	337.55	6.27	-33.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300017276589	0	42	-1.0	-47.84	353.02	2.73	-45.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017276590	0	33	-1.0	-38.18	297.32	3.36	-34.82
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CCCCC1C(=O)OC	REAL300017276591	0	46	-1.0	-44.86	349.34	5.80	-39.06
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1	REAL300017276592	0	47	-1.0	-43.06	379.19	7.08	-35.98
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300017276593	0	41	-1.0	-56.61	326.94	5.53	-51.08
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300017276594	0	38	-1.0	-42.39	339.11	5.93	-36.46
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017276595	0	40	-1.0	-39.63	349.57	2.38	-37.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC	REAL300017276596	0	38	-1.0	-40.84	330.13	5.19	-35.65
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017276597	0	43	-1.0	-50.18	347.04	8.24	-41.94
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(CC)OC(C(=O)OC)=C1	REAL300017276598	0	43	-1.0	-55.76	352.93	4.93	-50.83
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017276599	0	51	-1.0	-62.77	406.88	7.69	-55.08
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300017276600	0	41	-1.0	-53.38	330.09	4.88	-48.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017276601	0	54	-1.0	-57.08	393.53	5.93	-51.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017276602	0	48	-1.0	-39.36	369.49	4.55	-34.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017276603	0	45	-1.0	-39.75	377.26	5.20	-34.55
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC	REAL300017276604	0	42	-1.0	-54.51	352.69	6.93	-47.58
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCCC1	REAL300017276605	0	44	-1.0	-40.02	335.27	5.35	-34.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C)CCCCC1	REAL300017276606	0	46	-1.0	-40.64	329.95	5.92	-34.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017276607	0	43	-1.0	-43.46	344.75	5.86	-37.60
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017276608	0	37	-1.0	-44.66	319.69	3.21	-41.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300017276609	0	38	-1.0	-41.44	318.19	3.82	-37.62
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300017276610	0	45	-1.0	-45.72	363.28	4.76	-40.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300017276611	0	48	-1.0	-62.37	397.93	5.88	-56.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)C	REAL300017276612	0	43	-1.0	-57.77	330.79	6.70	-51.07
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017276613	0	48	-1.0	-42.35	389.91	8.15	-34.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)=C(C)C2=C1	REAL300017276614	0	49	-1.0	-43.17	406.12	7.12	-36.05
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1C	REAL300017276615	0	46	-1.0	-62.64	372.39	7.10	-55.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017276616	0	34	-1.0	-49.42	315.85	5.92	-43.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300017276617	0	34	-1.0	-38.56	312.02	4.76	-33.80
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1F	REAL300017276618	0	38	-1.0	-43.04	310.30	3.70	-39.34
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300017276619	0	42	-1.0	-49.07	334.57	7.17	-41.90
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017276620	0	40	-1.0	-40.36	343.49	6.25	-34.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300017276621	0	44	-1.0	-49.07	366.16	7.55	-41.52
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1	REAL300017276622	0	42	-1.0	-45.28	348.05	2.69	-42.59
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300017276623	0	42	-1.0	-44.18	333.99	4.85	-39.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017276624	0	40	-1.0	-44.87	326.51	4.95	-39.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017276626	0	37	-1.0	-42.92	316.65	5.38	-37.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017276627	0	37	-1.0	-37.18	336.76	5.90	-31.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017276628	0	37	-1.0	-38.85	319.56	5.40	-33.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300017276629	0	37	-1.0	-40.83	323.67	5.65	-35.18
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC	REAL300017276630	0	45	-1.0	-53.43	355.23	3.23	-50.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1SC	REAL300017276631	0	38	-1.0	-59.72	316.90	5.91	-53.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300017276632	0	45	-1.0	-58.98	365.19	4.07	-54.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017276633	0	46	-1.0	-41.57	376.62	4.23	-37.34
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1	REAL300017276634	0	40	-1.0	-41.91	345.95	5.27	-36.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300017276635	0	44	-1.0	-40.34	369.69	3.65	-36.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300017276636	0	44	-1.0	-44.34	358.06	5.21	-39.13
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(F)C=C1C	REAL300017276637	0	37	-1.0	-52.55	321.69	6.25	-46.30
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300017276638	0	42	-1.0	-59.23	340.54	6.67	-52.56
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017276639	0	42	-1.0	-51.72	344.26	5.73	-45.99
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017276640	0	40	-1.0	-65.03	314.24	0.88	-64.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300017276641	0	44	-1.0	-45.46	360.57	5.28	-40.18
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017276642	0	39	-1.0	-44.42	329.30	4.57	-39.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300017276643	0	38	-1.0	-43.13	319.96	4.01	-39.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)C=C1C	REAL300017276644	0	44	-1.0	-55.04	347.16	5.75	-49.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300017276645	0	42	-1.0	-47.30	357.87	0.58	-46.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O	REAL300017276646	0	36	-1.0	-54.87	307.81	-0.28	-55.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC	REAL300017276647	0	43	-1.0	-61.54	348.85	6.41	-55.13
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017276648	0	38	-1.0	-44.88	312.88	4.80	-40.08
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC)C=C1	REAL300017276649	0	38	-1.0	-42.28	321.22	5.41	-36.87
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1	REAL300017276650	0	46	-1.0	-42.46	379.15	6.77	-35.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)CC)C=C1	REAL300017276651	0	44	-1.0	-48.02	357.54	4.18	-43.84
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017276652	0	40	-1.0	-40.70	343.08	6.18	-34.52
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N(CC)CC1=CC=CC=C1	REAL300017276653	0	45	-1.0	-57.41	345.76	6.88	-50.53
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC)C(C)=N1	REAL300017276654	0	40	-1.0	-50.78	323.03	5.33	-45.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017276655	0	33	-1.0	-49.75	305.84	3.83	-45.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017276656	0	40	-1.0	-58.63	324.54	4.53	-54.10
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017276657	0	39	-1.0	-55.77	316.63	5.23	-50.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017276658	0	46	-1.0	-45.12	374.52	6.42	-38.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1F	REAL300017276659	0	34	-1.0	-42.38	287.13	4.46	-37.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017276660	0	34	-1.0	-39.56	301.47	5.05	-34.51
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300017276661	0	40	-1.0	-41.17	335.45	5.90	-35.27
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017276662	0	40	-1.0	-54.39	355.77	6.37	-48.02
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300017276663	0	42	-1.0	-46.55	348.77	4.13	-42.42
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017276664	0	37	-1.0	-40.79	330.70	5.85	-34.94
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300017276665	0	38	-1.0	-44.71	320.71	1.27	-43.44
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017276666	0	43	-1.0	-41.70	364.01	7.30	-34.40
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(COC)=C1	REAL300017276667	0	41	-1.0	-44.47	337.55	4.17	-40.30
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017276668	0	36	-1.0	-55.54	325.41	6.24	-49.30
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1	REAL300017276669	0	43	-1.0	-61.03	375.90	6.03	-55.00
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC	REAL300017276670	0	40	-1.0	-50.44	334.76	6.14	-44.30
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017276671	0	37	-1.0	-44.51	317.76	5.65	-38.86
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017276672	0	46	-1.0	-55.54	377.62	2.89	-52.65
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017276673	0	41	-1.0	-39.44	350.27	4.97	-34.47
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017276674	0	34	-1.0	-53.74	315.46	6.03	-47.71
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017276675	0	42	-1.0	-42.20	352.17	1.82	-40.38
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1	REAL300017276706	0	43	-1.0	-41.90	363.61	6.05	-35.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017276707	0	42	-1.0	-51.25	345.15	5.18	-46.07
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017276708	0	34	-1.0	-54.34	300.57	5.47	-48.87
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CCC)CC(=O)[O-]	REAL300017276709	0	53	-1.0	-63.00	410.84	7.61	-55.39
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017276710	0	37	-1.0	-45.06	331.20	6.09	-38.97
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017276711	0	35	-1.0	-52.07	314.72	5.77	-46.30
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300017276712	0	41	-1.0	-45.16	350.35	3.92	-41.24
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300017276713	0	42	-1.0	-43.37	338.02	4.97	-38.40
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl	REAL300017276714	0	38	-1.0	-53.67	339.65	5.26	-48.41
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(CC)C=CC=C1CC	REAL300017276715	0	46	-1.0	-52.81	331.50	7.82	-44.99
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300017276716	0	46	-1.0	-57.91	369.27	3.62	-54.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300017276717	0	37	-1.0	-41.91	328.64	4.07	-37.84
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC	REAL300017276718	0	43	-1.0	-48.83	367.20	7.07	-41.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017276719	0	45	-1.0	-43.40	386.96	7.86	-35.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017276720	0	40	-1.0	-55.55	349.38	6.30	-49.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017276721	0	40	-1.0	-54.07	366.09	6.82	-47.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300017276722	0	43	-1.0	-55.98	343.72	6.06	-49.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017276723	0	36	-1.0	-37.05	330.48	5.66	-31.39
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC	REAL300017276724	0	38	-1.0	-39.29	336.96	5.16	-34.13
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300017276725	0	46	-1.0	-44.53	359.20	4.92	-39.61
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CCN(C(=O)OCC)CC1	REAL300017276726	0	48	-1.0	-61.36	372.36	4.59	-56.77
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300017276727	0	43	-1.0	-48.23	357.59	3.47	-44.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017276728	0	33	-1.0	-38.76	309.56	3.49	-35.27
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017276729	0	37	-1.0	-46.89	313.26	4.94	-41.95
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017276730	0	37	-1.0	-44.93	308.85	3.12	-41.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCN12	REAL300017276731	0	38	-1.0	-47.52	309.97	3.88	-43.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017276732	0	42	-1.0	-43.41	336.18	5.08	-38.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300017276733	0	38	-1.0	-57.52	323.65	4.70	-52.82
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21	REAL300017276734	0	43	-1.0	-47.40	361.37	7.37	-40.03
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1	REAL300017276735	0	43	-1.0	-44.94	357.99	5.85	-39.09
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017276736	0	41	-1.0	-41.68	317.39	6.19	-35.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300017276737	0	44	-1.0	-47.86	363.73	6.10	-41.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017276738	0	52	-1.0	-60.04	410.93	6.68	-53.36
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017276739	0	52	-1.0	-45.49	410.17	6.24	-39.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017276740	0	49	-1.0	-43.80	398.51	5.56	-38.24
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300017276741	0	36	-1.0	-41.72	319.21	4.84	-36.88
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300017276742	0	45	-1.0	-54.74	361.49	5.51	-49.23
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017276743	0	34	-1.0	-53.38	312.09	5.97	-47.41
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017276744	0	34	-1.0	-37.54	318.61	5.52	-32.02
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300017276745	0	44	-1.0	-44.08	346.31	6.12	-37.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300017276746	0	38	-1.0	-39.11	321.00	5.28	-33.83
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300017276747	0	40	-1.0	-42.10	341.73	5.13	-36.97
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300017276748	0	38	-1.0	-42.44	319.81	5.10	-37.34
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC=C1C	REAL300017276749	0	41	-1.0	-59.31	325.27	4.82	-54.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017276750	0	35	-1.0	-37.03	322.96	5.34	-31.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300017276751	0	41	-1.0	-56.72	340.20	5.44	-51.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1	REAL300017276752	0	40	-1.0	-41.27	353.88	4.92	-36.35
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1	REAL300017276753	0	41	-1.0	-44.97	343.30	3.39	-41.58
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300017276754	0	42	-1.0	-54.47	352.85	4.61	-49.86
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017276755	0	38	-1.0	-43.24	327.94	4.10	-39.14
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017276756	0	37	-1.0	-39.68	326.80	5.51	-34.17
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300017276757	0	45	-1.0	-42.62	372.37	1.46	-41.16
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC(C(=O)OCC)=CC2=C1	REAL300017276758	0	46	-1.0	-41.91	397.40	7.50	-34.41
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017276759	0	38	-1.0	-41.66	324.72	5.62	-36.04
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1Br	REAL300017276760	0	38	-1.0	-53.94	326.73	4.83	-49.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017276761	0	39	-1.0	-53.02	337.75	-0.10	-53.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300017276762	0	40	-1.0	-56.22	321.82	4.18	-52.04
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300017276763	0	40	-1.0	-43.24	322.92	5.74	-37.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017276764	0	34	-1.0	-51.26	310.68	5.88	-45.38
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300017276765	0	40	-1.0	-39.05	312.09	6.08	-32.97
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017276766	0	34	-1.0	-53.47	313.91	6.09	-47.38
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2	REAL300017276767	0	44	-1.0	-45.28	353.83	1.74	-43.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)S1	REAL300017276768	0	32	-1.0	-37.15	295.33	4.05	-33.10
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017276769	0	35	-1.0	-44.27	299.04	2.93	-41.34
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(OC)=C1	REAL300017276770	0	37	-1.0	-43.37	305.63	1.79	-41.58
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017276771	0	34	-1.0	-41.13	301.43	5.01	-36.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300017276772	0	44	-1.0	-44.57	364.53	5.15	-39.42
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017276773	0	38	-1.0	-45.62	332.20	1.66	-43.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OCC)=C1	REAL300017276774	0	41	-1.0	-44.88	333.83	4.68	-40.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017276775	0	45	-1.0	-52.19	359.03	5.93	-46.26
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017276776	0	38	-1.0	-39.38	337.61	5.54	-33.84
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017276814	0	35	-1.0	-57.73	314.47	5.44	-52.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300017276815	0	38	-1.0	-58.20	316.57	5.91	-52.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1	REAL300017276816	0	48	-1.0	-50.30	384.62	3.76	-46.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300017276817	0	42	-1.0	-44.51	356.27	5.56	-38.95
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300017276818	0	39	-1.0	-40.38	327.78	5.69	-34.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC=C1Br	REAL300017276819	0	37	-1.0	-55.75	318.60	6.23	-49.52
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300017276820	0	37	-1.0	-45.77	323.17	3.62	-42.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300017276821	0	45	-1.0	-50.82	369.57	5.06	-45.76
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017276822	0	36	-1.0	-45.16	313.05	3.80	-41.36
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300017276823	0	44	-1.0	-55.85	359.34	5.05	-50.80
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CS1	REAL300017276824	0	35	-1.0	-48.73	297.85	2.45	-46.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300017276825	0	44	-1.0	-56.12	355.70	4.16	-51.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCC(F)(F)F	REAL300017276826	0	36	-1.0	-37.62	305.30	4.11	-33.51
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017276827	0	39	-1.0	-46.02	327.44	4.53	-41.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017276828	0	40	-1.0	-58.22	326.88	2.48	-55.74
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017276829	0	46	-1.0	-46.23	355.49	4.94	-41.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017276830	0	36	-1.0	-39.31	315.68	3.53	-35.78
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300017276831	0	37	-1.0	-55.86	315.59	6.07	-49.79
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300017276832	0	42	-1.0	-47.59	334.13	4.93	-42.66
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300017276833	0	36	-1.0	-42.00	313.16	3.62	-38.38
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017276834	0	40	-1.0	-42.33	333.79	3.48	-38.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017276835	0	33	-1.0	-41.38	304.16	4.24	-37.14
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017276836	0	43	-1.0	-42.06	354.63	6.12	-35.94
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300017276837	0	38	-1.0	-60.42	318.18	5.53	-54.89
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300017276838	0	42	-1.0	-45.80	339.94	2.98	-42.82
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017276839	0	35	-1.0	-56.19	314.98	5.79	-50.40
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017276840	0	40	-1.0	-51.58	329.23	5.74	-45.84
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300017276841	0	42	-1.0	-49.92	326.81	5.74	-44.18
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC)C(CC)=C1	REAL300017276842	0	46	-1.0	-42.88	358.08	6.96	-35.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300017276843	0	42	-1.0	-38.74	336.15	6.53	-32.21
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300017276844	0	37	-1.0	-56.25	312.80	5.97	-50.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1	REAL300017276845	0	40	-1.0	-56.67	337.73	4.35	-52.32
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C)S1	REAL300017276846	0	37	-1.0	-41.80	315.25	4.89	-36.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC=C1F	REAL300017276847	0	37	-1.0	-41.04	302.48	5.38	-35.66
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017276848	0	35	-1.0	-51.55	302.35	2.08	-49.47
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(CC)S1	REAL300017276849	0	36	-1.0	-42.20	311.97	3.11	-39.09
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017276850	0	40	-1.0	-63.57	330.18	6.74	-56.83
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSN=C1C(=O)OC	REAL300017276851	0	36	-1.0	-57.36	312.82	3.51	-53.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300017276852	1	36	-1.0	-47.51	317.62	2.74	-44.77
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300017276853	0	40	-1.0	-40.69	329.56	5.79	-34.90
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017276854	0	42	-1.0	-52.14	342.38	2.91	-49.23
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017276855	0	45	-1.0	-42.62	341.48	2.93	-39.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1	REAL300017276856	0	41	-1.0	-49.01	344.14	4.52	-44.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017276857	0	33	-1.0	-39.27	292.81	3.02	-36.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C)=C1F	REAL300017276858	0	37	-1.0	-42.83	300.63	5.00	-37.83
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300017276859	0	45	-1.0	-44.26	363.48	6.22	-38.04
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017276860	0	37	-1.0	-42.25	326.00	5.77	-36.48
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017276861	0	37	-1.0	-38.43	326.57	5.75	-32.68
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017276862	0	34	-1.0	-41.07	299.14	5.24	-35.83
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300017276863	0	37	-1.0	-41.86	308.78	5.11	-36.75
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1	REAL300017276864	0	37	-1.0	-42.63	323.32	2.35	-40.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017276865	0	38	-1.0	-43.23	330.12	5.65	-37.58
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1	REAL300017276866	0	39	-1.0	-42.40	331.70	3.13	-39.27
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017276867	0	33	-1.0	-39.87	297.30	3.73	-36.14
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(COC)C=C1	REAL300017276868	0	41	-1.0	-42.04	336.11	4.13	-37.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300017276869	0	39	-1.0	-40.49	324.11	4.94	-35.55
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1	REAL300017276870	0	40	-1.0	-42.42	352.46	5.53	-36.89
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017276871	0	37	-1.0	-54.71	325.60	2.88	-51.83
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)N=C1	REAL300017276872	0	40	-1.0	-41.98	330.00	1.92	-40.06
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017276873	0	43	-1.0	-52.35	366.07	2.61	-49.74
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1	REAL300017276874	0	41	-1.0	-45.81	343.63	3.49	-42.32
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1	REAL300017276875	0	48	-1.0	-54.23	373.58	6.03	-48.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017276876	0	37	-1.0	-57.91	307.60	3.47	-54.44
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300017276877	0	40	-1.0	-52.04	334.90	6.52	-45.52
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300017276878	0	44	-1.0	-55.14	363.79	2.10	-53.04
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1	REAL300017276879	0	51	-1.0	-46.72	393.43	6.31	-40.41
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1	REAL300017276880	0	43	-1.0	-41.81	365.94	5.84	-35.97
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300017276881	0	43	-1.0	-55.81	354.39	7.32	-48.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017276882	0	37	-1.0	-54.54	316.98	6.15	-48.39
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017276883	0	37	-1.0	-54.53	320.14	6.73	-47.80
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1	REAL300017276884	0	48	-1.0	-52.25	394.01	2.65	-49.60
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1OC	REAL300017276885	0	47	-1.0	-47.66	379.63	6.16	-41.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(=O)OCC)=C1	REAL300017276886	0	46	-1.0	-43.49	372.68	6.46	-37.03
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC(=O)OCC)=C1	REAL300017276887	0	46	-1.0	-44.41	381.30	6.81	-37.60
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC	REAL300017276888	0	45	-1.0	-46.56	376.68	4.34	-42.22
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OCC)=C(C)C=C1F	REAL300017276889	0	46	-1.0	-41.99	372.88	6.55	-35.44
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017276890	0	40	-1.0	-41.47	343.04	6.49	-34.98
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1F	REAL300017276891	0	43	-1.0	-43.93	356.80	5.99	-37.94
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017276892	0	44	-1.0	-43.88	356.67	7.86	-36.02
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1	REAL300017276893	0	48	-1.0	-47.17	401.63	2.25	-44.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300017276894	0	37	-1.0	-44.20	320.95	5.75	-38.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)C(=O)OCC)=C1	REAL300017276895	0	46	-1.0	-46.92	384.99	5.65	-41.27
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017276896	0	38	-1.0	-41.79	327.94	5.29	-36.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017276897	0	37	-1.0	-42.79	313.22	5.27	-37.52
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300017276898	0	36	-1.0	-50.23	307.89	4.03	-46.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300017276899	0	37	-1.0	-48.80	319.92	3.75	-45.05
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017276900	0	35	-1.0	-39.58	304.44	3.17	-36.41
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC(C)(C)C(=O)OC	REAL300017276901	0	42	-1.0	-46.68	329.47	4.40	-42.28
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1	REAL300017276902	0	47	-1.0	-51.35	374.75	5.31	-46.04
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F	REAL300017276903	0	40	-1.0	-53.64	341.20	5.54	-48.10
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC	REAL300017276904	0	45	-1.0	-58.40	377.77	4.17	-54.23
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1	REAL300017276905	0	49	-1.0	-43.99	392.92	7.17	-36.82
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1	REAL300017276906	0	46	-1.0	-50.95	384.70	3.62	-47.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C(=O)OC)CCCC1	REAL300017276907	0	46	-1.0	-40.91	350.84	6.07	-34.84
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300017276908	0	41	-1.0	-40.90	352.77	4.60	-36.30
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300017276909	0	40	-1.0	-39.38	335.45	5.89	-33.49
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017276910	0	45	-1.0	-41.27	386.96	7.85	-33.42
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1	REAL300017276911	0	43	-1.0	-49.98	359.42	5.89	-44.09
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300017276912	0	44	-1.0	-41.12	329.30	5.83	-35.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300017276913	0	40	-1.0	-42.13	341.66	6.42	-35.71
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C(=O)OC)CCC1	REAL300017276914	0	43	-1.0	-40.86	340.22	5.33	-35.53
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017276915	0	34	-1.0	-37.56	313.95	4.64	-32.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1	REAL300017276916	0	47	-1.0	-46.05	390.81	4.74	-41.31
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(COC)=CC(C(=O)OCC)=C1	REAL300017276917	0	50	-1.0	-46.11	412.67	5.67	-40.44
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C(=O)OC)CCCCC1	REAL300017276918	0	49	-1.0	-40.70	361.32	6.49	-34.21
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F	REAL300017276919	0	42	-1.0	-45.02	350.62	5.42	-39.60
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017276920	1	36	-1.0	-46.33	300.11	2.83	-43.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017276921	0	38	-1.0	-57.06	314.71	4.73	-52.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300017276922	0	47	-1.0	-49.61	380.74	8.20	-41.41
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017276923	0	37	-1.0	-43.11	335.66	6.24	-36.87
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017276924	0	37	-1.0	-43.80	326.54	5.82	-37.98
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F	REAL300017276925	0	38	-1.0	-42.87	332.17	4.69	-38.18
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C	REAL300017276926	0	44	-1.0	-39.82	355.28	6.77	-33.05
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC(C)(C)C1CC1	REAL300017276927	0	46	-1.0	-39.73	344.80	5.90	-33.83
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017276928	0	38	-1.0	-43.36	330.60	6.15	-37.21
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCC(C)(F)F	REAL300017276929	0	39	-1.0	-39.67	319.79	4.64	-35.03
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCC1=CC=CC=C1	REAL300017276930	0	43	-1.0	-40.89	347.35	6.74	-34.15
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300017276932	0	38	-1.0	-60.47	319.39	0.40	-60.07
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H](CCC)CC(=O)[O-]	REAL300017276936	0	43	-1.0	-43.66	333.94	6.94	-36.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017276937	0	43	-1.0	-46.31	342.34	5.23	-41.08
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)F	REAL300017276938	0	34	-1.0	-59.58	291.42	4.91	-54.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017276939	0	40	-1.0	-42.18	332.72	6.04	-36.14
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300017276940	0	50	-1.0	-44.71	394.65	7.07	-37.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017276941	0	39	-1.0	-58.96	316.75	5.27	-53.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O	REAL300017276942	0	54	-1.0	-56.81	406.91	6.79	-50.02
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CN1C	REAL300017276943	0	41	-1.0	-48.86	338.94	4.65	-44.21
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017276944	0	48	-1.0	-42.09	376.57	4.46	-37.63
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017276945	0	49	-1.0	-58.48	393.17	7.11	-51.37
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(=O)CC)C2=C1	REAL300017276946	0	48	-1.0	-54.01	383.28	6.38	-47.63
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017276947	0	41	-1.0	-44.54	332.70	4.04	-40.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300017276948	0	41	-1.0	-43.69	318.69	4.27	-39.42
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017276949	0	44	-1.0	-43.31	349.90	5.02	-38.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017276957	0	40	-1.0	-46.09	349.86	5.37	-40.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017276958	0	40	-1.0	-44.15	333.18	1.69	-42.46
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CO1	REAL300017276959	1	31	-1.0	-41.49	284.38	3.25	-38.24
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCCN12	REAL300017276960	0	41	-1.0	-50.34	317.09	4.18	-46.16
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300017276961	0	38	-1.0	-41.14	326.83	3.91	-37.23
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(OC)C=C1F	REAL300017276962	0	38	-1.0	-41.31	316.00	3.74	-37.57
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CCC)CC(=O)[O-])C=C1C(C)C	REAL300017276963	0	59	-1.0	-43.13	456.93	9.06	-34.07
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300017276964	0	50	-1.0	-56.90	378.92	6.65	-50.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300017276965	0	44	-1.0	-59.17	354.69	6.32	-52.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC=C1C	REAL300017276966	0	37	-1.0	-39.60	300.45	4.93	-34.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300017276967	0	42	-1.0	-45.84	332.13	5.31	-40.53
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300017276968	0	42	-1.0	-43.79	351.46	4.10	-39.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300017276969	0	42	-1.0	-44.00	350.71	6.66	-37.34
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300017276970	0	38	-1.0	-43.63	317.95	5.06	-38.57
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC(C)=C1Br	REAL300017276971	0	37	-1.0	-38.74	324.38	5.74	-33.00
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br	REAL300017276972	0	37	-1.0	-39.87	328.11	6.49	-33.38
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C	REAL300017276973	0	51	-1.0	-56.92	390.31	6.46	-50.46
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017276974	0	40	-1.0	-44.73	335.94	5.03	-39.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C	REAL300017276975	0	48	-1.0	-57.66	380.05	5.99	-51.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC=C1Cl	REAL300017276976	0	31	-1.0	-53.38	285.42	4.21	-49.17
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=NN1C	REAL300017276977	0	34	-1.0	-41.24	305.00	2.70	-38.54
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017276978	0	36	-1.0	-38.88	316.41	3.58	-35.30
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300017276979	0	39	-1.0	-53.50	321.65	3.69	-49.81
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017276980	0	43	-1.0	-54.86	315.79	4.90	-49.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017276981	0	38	-1.0	-54.68	334.93	5.29	-49.39
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017276982	0	35	-1.0	-38.67	297.20	3.22	-35.45
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017276983	0	37	-1.0	-44.18	319.77	5.94	-38.24
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017276984	0	38	-1.0	-54.18	334.92	5.26	-48.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017276985	0	37	-1.0	-49.70	327.44	4.12	-45.58
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300017276986	0	41	-1.0	-45.77	329.75	4.13	-41.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300017276987	0	43	-1.0	-42.23	332.67	6.61	-35.62
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300017276988	0	42	-1.0	-46.70	338.59	4.37	-42.33
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017276989	0	43	-1.0	-50.65	351.11	1.68	-48.97
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300017276990	0	35	-1.0	-36.95	322.98	5.34	-31.61
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300017276991	0	37	-1.0	-54.58	310.07	5.02	-49.56
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC(OC)=C1OC	REAL300017276992	0	42	-1.0	-45.86	341.83	4.72	-41.14
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1	REAL300017276993	1	37	-1.0	-42.15	342.00	4.24	-37.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300017276994	0	47	-1.0	-55.17	365.95	5.47	-49.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300017276995	0	38	-1.0	-43.84	328.96	6.17	-37.67
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300017276997	0	41	-1.0	-55.47	333.65	4.51	-50.96
CCC[C@@H](CC(=O)[O-])NC(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017276998	0	36	-1.0	-51.05	328.11	8.47	-42.58
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017276999	0	38	-1.0	-44.09	320.27	3.97	-40.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017277000	0	38	-1.0	-56.73	336.09	5.34	-51.39
CC1=CC=C(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300017285496	0	35	-1.0	-46.37	312.13	6.18	-40.19
CC1=C(Br)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017285497	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	REAL300017285498	0	35	-1.0	-49.37	321.81	5.17	-44.20
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017285499	0	41	-1.0	-55.28	340.51	5.87	-49.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017285500	0	47	-1.0	-45.17	344.51	6.12	-39.05
CC1=NC2=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=CC=C2C=C1	REAL300017285501	0	37	-1.0	-55.93	317.51	6.37	-49.56
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017285502	0	37	-1.0	-49.53	326.44	6.65	-42.88
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017285503	0	40	-1.0	-53.68	334.48	2.91	-50.77
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285504	0	43	-1.0	-49.54	377.48	5.90	-43.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017285505	0	30	-1.0	-40.59	302.43	5.50	-35.09
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Cl	REAL300017285506	0	32	-1.0	-50.73	291.72	5.51	-45.22
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017285507	0	35	-1.0	-61.26	304.33	5.41	-55.85
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2)=N1	REAL300017285508	0	38	-1.0	-51.11	349.48	6.09	-45.02
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1F	REAL300017285509	0	35	-1.0	-46.47	331.64	5.73	-40.74
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285510	0	38	-1.0	-50.53	337.02	5.89	-44.64
CC1=C(Br)C=CC=C1CS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285511	0	35	-1.0	-55.98	309.79	6.09	-49.89
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017285512	0	32	-1.0	-59.22	303.67	5.59	-53.63
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017285513	0	29	-1.0	-48.62	294.24	5.56	-43.06
CC1=CC(C(N)=O)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285514	0	36	-1.0	-62.49	312.14	1.86	-60.63
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300017285515	0	54	-1.0	-55.17	437.85	9.17	-46.00
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300017285516	0	44	-1.0	-56.48	366.09	6.77	-49.71
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285517	0	39	-1.0	-47.85	348.39	6.93	-40.92
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017285518	0	35	-1.0	-43.70	313.31	6.32	-37.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC=C1F	REAL300017285519	0	35	-1.0	-45.28	312.49	6.28	-39.00
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017285520	0	35	-1.0	-44.37	319.55	6.62	-37.75
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285521	0	33	-1.0	-45.38	311.67	5.23	-40.15
COC1=CC2=C(C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1)C(=O)NCCC2	REAL300017285522	0	44	-1.0	-56.56	360.71	3.64	-52.92
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)S2)C1	REAL300017285523	0	40	-1.0	-46.38	350.29	5.18	-41.20
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)SC2=CC=C(C#N)C=C12	REAL300017285524	0	36	-1.0	-45.08	332.37	7.03	-38.05
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300017285525	0	33	-1.0	-43.71	312.72	2.01	-41.70
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017285526	0	32	-1.0	-58.48	306.62	5.69	-52.79
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285527	0	42	-1.0	-54.68	347.04	6.07	-48.61
CC(CC(F)(F)F)CS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285528	0	34	-1.0	-41.19	296.92	4.97	-36.22
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017285529	0	36	-1.0	-50.47	321.96	6.20	-44.27
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=C2)=N1	REAL300017285530	0	41	-1.0	-50.67	346.73	4.30	-46.37
COC1=CC(F)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285531	0	33	-1.0	-46.04	290.64	4.67	-41.37
COC(=O)C1=C(C)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)O1	REAL300017285532	0	35	-1.0	-50.41	314.65	3.77	-46.64
CCC1=NC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN1CC1CC1	REAL300017285533	0	42	-1.0	-58.21	354.62	6.34	-51.87
CC(=O)N1CC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2C1	REAL300017285534	0	40	-1.0	-60.95	340.02	4.94	-56.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017285535	0	32	-1.0	-54.07	297.94	3.77	-50.30
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017285536	0	32	-1.0	-51.23	307.95	4.42	-46.81
CCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(C)C	REAL300017285537	0	48	-1.0	-52.18	387.67	7.48	-44.70
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300017285538	0	37	-1.0	-42.16	322.62	6.93	-35.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017285539	0	42	-1.0	-47.95	364.76	6.99	-40.96
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017285540	0	43	-1.0	-53.60	373.70	7.78	-45.82
COC(CS(=O)(=O)N(C)C1(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300017285541	0	39	-1.0	-62.97	325.28	5.59	-57.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017285542	0	41	-1.0	-56.22	340.84	5.90	-50.32
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300017285543	0	37	-1.0	-52.60	338.82	3.30	-49.30
COC(=O)C1=CC=CC2=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=CC=C12	REAL300017285544	0	41	-1.0	-50.27	349.16	7.49	-42.78
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300017285545	0	40	-1.0	-56.69	342.17	3.52	-53.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017285546	0	38	-1.0	-54.85	301.73	5.72	-49.13
CCOC1(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)CCOCC1	REAL300017285547	0	43	-1.0	-58.08	331.56	3.11	-54.97
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1F	REAL300017285548	0	35	-1.0	-46.38	321.31	5.29	-41.09
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=C(Cl)C=C21	REAL300017285549	0	40	-1.0	-52.74	351.40	6.35	-46.39
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300017285550	0	32	-1.0	-45.26	300.86	3.38	-41.88
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017285551	0	40	-1.0	-54.20	357.72	8.47	-45.73
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285552	0	32	-1.0	-44.87	301.14	6.04	-38.83
CC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1Br	REAL300017285553	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	REAL300017285554	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	REAL300017285555	0	37	-1.0	-53.40	314.40	2.18	-51.22
COC1=CC(Br)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285556	0	33	-1.0	-51.29	307.01	4.35	-46.94
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300017285557	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	REAL300017285558	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	REAL300017285559	0	36	-1.0	-53.26	315.67	2.02	-51.24
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285560	0	42	-1.0	-45.81	349.41	6.15	-39.66
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017285561	0	36	-1.0	-57.58	320.58	4.97	-52.61
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300017285562	0	56	-1.0	-45.39	446.72	9.25	-36.14
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300017285563	0	43	-1.0	-54.26	367.44	2.36	-51.90
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017285564	0	37	-1.0	-45.26	335.12	6.92	-38.34
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017285565	0	29	-1.0	-49.29	283.27	5.08	-44.21
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017285566	0	32	-1.0	-61.49	295.23	5.25	-56.24
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017285567	0	36	-1.0	-66.85	320.86	2.29	-64.56
CCN1C(=O)OC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C21	REAL300017285568	0	38	-1.0	-56.83	332.20	5.37	-51.46
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285569	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	REAL300017285570	0	33	-1.0	-50.53	306.14	4.40	-46.13
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017285571	0	32	-1.0	-54.43	322.77	1.59	-52.84
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017285572	0	32	-1.0	-56.81	300.31	3.50	-53.31
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017285573	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	REAL300017285574	0	37	-1.0	-56.43	336.12	1.14	-55.29
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300017285575	0	43	-1.0	-52.81	397.23	2.34	-50.47
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(OC)=C1	REAL300017285576	0	44	-1.0	-54.99	379.02	2.23	-52.76
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300017285577	0	48	-1.0	-51.04	416.75	5.69	-45.35
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300017285578	0	43	-1.0	-54.36	377.68	2.85	-51.51
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300017285579	0	44	-1.0	-51.76	365.76	5.31	-46.45
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300017285580	0	40	-1.0	-54.55	356.19	2.06	-52.49
CCC(=O)NCC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1OC	REAL300017285581	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	REAL300017285582	0	33	-1.0	-48.65	304.12	4.66	-43.99
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017285583	0	44	-1.0	-55.37	369.97	4.87	-50.50
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285584	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	REAL300017285585	0	31	-1.0	-49.94	304.48	4.34	-45.60
CC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Br	REAL300017285586	0	34	-1.0	-51.22	315.27	5.54	-45.68
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285587	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	REAL300017285588	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	REAL300017285589	0	36	-1.0	-51.86	327.99	5.32	-46.54
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017285590	0	43	-1.0	-45.26	378.89	4.18	-41.08
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017285591	0	32	-1.0	-51.09	296.02	5.52	-45.57
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285592	0	42	-1.0	-46.47	364.89	6.89	-39.58
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017285593	0	29	-1.0	-53.32	284.64	6.19	-47.13
COC1=C(C)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300017285594	0	39	-1.0	-46.30	333.23	5.51	-40.79
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300017285595	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	REAL300017285596	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	REAL300017285597	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	REAL300017285598	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	REAL300017285599	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	REAL300017285600	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	REAL300017285601	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	REAL300017285602	0	40	-1.0	-57.88	342.49	3.73	-54.15
COCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300017285603	0	43	-1.0	-54.59	361.26	4.66	-49.93
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285604	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	REAL300017285605	0	44	-1.0	-45.02	368.08	4.09	-40.93
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285606	0	39	-1.0	-63.74	325.97	4.23	-59.51
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(Br)=C1	REAL300017285607	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	REAL300017285608	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	REAL300017285609	0	35	-1.0	-51.03	320.98	6.70	-44.33
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017285610	0	30	-1.0	-50.72	292.49	5.22	-45.50
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285611	0	32	-1.0	-42.76	290.05	5.83	-36.93
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300017285612	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	REAL300017285613	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	REAL300017285614	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	REAL300017285615	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	REAL300017285616	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	REAL300017285617	0	45	-1.0	-56.87	368.72	5.95	-50.92
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017285618	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	REAL300017285619	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	REAL300017285620	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	REAL300017285621	0	32	-1.0	-50.55	295.44	3.23	-47.32
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017285622	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	REAL300017285623	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	REAL300017285624	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	REAL300017285625	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	REAL300017285626	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	REAL300017285627	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	REAL300017285628	0	39	-1.0	-58.82	353.48	4.01	-54.81
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285629	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-]	REAL300017285630	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	REAL300017285631	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	REAL300017285632	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-]	REAL300017285633	0	31	-1.0	-47.44	299.09	6.94	-40.50
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285634	0	37	-1.0	-55.62	317.29	6.45	-49.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017285635	0	32	-1.0	-49.11	300.03	5.63	-43.48
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300017285636	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	REAL300017285637	0	32	-1.0	-42.70	285.48	5.72	-36.98
CCOC(=O)C1CCCN1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285638	0	40	-1.0	-62.03	330.52	5.00	-57.03
CNC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN1C	REAL300017285639	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	REAL300017285640	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	REAL300017285641	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	REAL300017285642	0	38	-1.0	-44.60	340.23	6.14	-38.46
COC(=O)C1CCN(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)CC1	REAL300017285643	0	40	-1.0	-60.76	329.58	3.99	-56.77
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017285644	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	REAL300017285645	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	REAL300017285646	0	35	-1.0	-50.61	318.76	4.12	-46.49
COC(=O)CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300017285647	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	REAL300017285648	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	REAL300017285649	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	REAL300017285650	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-]	REAL300017285651	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	REAL300017285652	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	REAL300017285653	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	REAL300017285654	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	REAL300017285655	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	REAL300017285656	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	REAL300017285657	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	REAL300017285658	0	37	-1.0	-52.91	321.06	3.76	-49.15
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017285659	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	REAL300017285660	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	REAL300017285661	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	REAL300017285662	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	REAL300017285663	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-]	REAL300017285664	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	REAL300017285665	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	REAL300017285666	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-]	REAL300017285667	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	REAL300017285668	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	REAL300017285669	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	REAL300017285670	0	37	-1.0	-62.39	317.25	5.68	-56.71
CCOC(=O)N1CCN(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)CC1	REAL300017285671	0	42	-1.0	-44.70	344.20	3.37	-41.33
COC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=C(Cl)N=C2C=C1	REAL300017285672	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	REAL300017285673	0	39	-1.0	-55.23	343.30	5.93	-49.30
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285674	0	51	-1.0	-45.05	390.82	7.44	-37.61
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285675	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	REAL300017285676	0	37	-1.0	-62.88	331.07	0.94	-61.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300017285677	0	44	-1.0	-65.71	373.94	3.97	-61.74
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300017285678	0	35	-1.0	-59.31	321.35	1.96	-57.35
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Br	REAL300017285679	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	REAL300017285680	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	REAL300017285681	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	REAL300017285682	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	REAL300017285683	0	36	-1.0	-54.06	317.88	5.49	-48.57
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017285684	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	REAL300017285685	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	REAL300017285686	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-]	REAL300017285687	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	REAL300017285688	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	REAL300017285689	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	REAL300017285690	0	39	-1.0	-54.57	338.89	5.26	-49.31
COC(=O)CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300017285691	0	35	-1.0	-48.84	331.28	5.31	-43.53
COC(=O)C1=CSC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285692	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	REAL300017285693	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=C1Cl	REAL300017285694	0	35	-1.0	-51.26	323.58	5.45	-45.81
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1C	REAL300017285695	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	REAL300017285696	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	REAL300017285697	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	REAL300017285698	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	REAL300017285699	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	REAL300017285700	0	33	-1.0	-54.20	313.88	5.70	-48.50
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017285701	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	REAL300017285702	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	REAL300017285703	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	REAL300017285704	0	34	-1.0	-45.32	317.03	4.81	-40.51
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(F)C=C1F	REAL300017285705	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	REAL300017285706	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	REAL300017285707	0	41	-1.0	-54.32	346.91	5.96	-48.36
CCCCCCN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(=O)NC1=O	REAL300017285708	0	47	-1.0	-46.53	393.91	5.39	-41.14
CC1=CN(C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2F)N=C1	REAL300017285709	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	REAL300017285710	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	REAL300017285711	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	REAL300017285712	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-]	REAL300017285713	0	34	-1.0	-48.49	315.16	6.41	-42.08
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)O1	REAL300017285714	0	26	-1.0	-49.53	260.41	3.15	-46.38
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300017285715	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	REAL300017285716	0	26	-1.0	-41.47	281.59	4.73	-36.74
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017285717	0	32	-1.0	-45.76	307.26	6.20	-39.56
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017285718	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	REAL300017285719	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	REAL300017285720	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	REAL300017285721	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	REAL300017285722	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	REAL300017285723	0	33	-1.0	-44.93	320.02	5.20	-39.73
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300017285724	0	40	-1.0	-55.81	362.35	3.31	-52.50
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN1C	REAL300017285725	0	39	-1.0	-57.24	340.34	5.39	-51.85
CCOC(=O)C1CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C2O1	REAL300017285726	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	REAL300017285727	0	35	-1.0	-56.06	321.34	1.95	-54.11
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300017285728	0	38	-1.0	-54.17	349.00	4.36	-49.81
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300017285729	0	42	-1.0	-61.20	364.92	5.80	-55.40
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)SC2=CC=CC(F)=C12	REAL300017285730	0	35	-1.0	-49.79	315.61	6.73	-43.06
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017285731	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	REAL300017285732	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	REAL300017285733	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	REAL300017285734	0	34	-1.0	-48.64	314.76	6.41	-42.23
CSC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300017285735	0	33	-1.0	-51.82	311.47	5.88	-45.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300017285736	0	32	-1.0	-47.31	296.88	5.21	-42.10
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017285737	0	41	-1.0	-49.30	362.72	7.24	-42.06
CN(C)C1=CC=C(Br)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285738	0	37	-1.0	-46.71	325.39	5.76	-40.95
CC1=NN2C=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=NC2=C1Cl	REAL300017285739	0	34	-1.0	-50.05	318.14	4.25	-45.80
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285740	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	REAL300017285741	0	41	-1.0	-51.66	336.05	5.12	-46.54
CCC1=NOC2=NC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C12	REAL300017285742	0	36	-1.0	-50.59	316.70	2.10	-48.49
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1F	REAL300017285743	0	34	-1.0	-51.76	309.28	5.75	-46.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017285744	0	35	-1.0	-52.16	323.52	7.31	-44.85
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285745	0	35	-1.0	-47.48	311.04	6.26	-41.22
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017285746	0	32	-1.0	-55.16	279.01	3.83	-51.33
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017285747	0	32	-1.0	-58.01	316.70	6.20	-51.81
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285748	1	44	-1.0	-45.50	377.81	1.77	-43.73
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300017285749	0	37	-1.0	-57.14	335.93	2.91	-54.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017285750	0	28	-1.0	-41.19	279.68	3.69	-37.50
COC(=O)C1CCCCC1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285751	0	41	-1.0	-67.69	325.29	5.74	-61.95
COC(=O)C1(C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2)CC1	REAL300017285752	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	REAL300017285753	0	33	-1.0	-63.97	318.62	5.89	-58.08
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017285754	0	35	-1.0	-50.62	324.89	2.49	-48.13
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285755	0	33	-1.0	-45.86	311.67	5.24	-40.62
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017285756	0	38	-1.0	-54.64	327.77	8.29	-46.35
CCC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C(C(=O)OC)O1	REAL300017285757	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	REAL300017285758	0	46	-1.0	-61.94	371.44	6.24	-55.70
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1F	REAL300017285759	0	36	-1.0	-45.82	303.18	4.55	-41.27
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017285760	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	REAL300017285761	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	REAL300017285762	0	40	-1.0	-47.62	358.51	5.55	-42.07
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285763	0	37	-1.0	-44.77	332.85	6.86	-37.91
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1(C#N)CCCCC1	REAL300017285764	0	39	-1.0	-65.36	309.65	5.26	-60.10
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017285765	0	38	-1.0	-59.62	312.76	6.21	-53.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300017285766	0	44	-1.0	-49.11	377.90	6.12	-42.99
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017285767	0	32	-1.0	-55.35	293.85	3.30	-52.05
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1F	REAL300017285768	0	33	-1.0	-50.90	291.94	3.80	-47.10
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285769	0	40	-1.0	-52.17	343.29	4.96	-47.21
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285770	0	43	-1.0	-49.69	371.12	5.94	-43.75
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017285771	0	43	-1.0	-48.20	369.70	8.11	-40.09
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017285772	0	29	-1.0	-41.79	298.70	5.74	-36.05
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C2O1	REAL300017285773	0	44	-1.0	-52.63	380.01	7.10	-45.53
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285774	0	41	-1.0	-50.22	345.34	6.78	-43.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017285775	0	29	-1.0	-41.24	289.49	5.59	-35.65
CC1=C(Cl)SC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285776	0	29	-1.0	-41.98	289.47	4.94	-37.04
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300017285777	0	33	-1.0	-46.28	291.48	3.90	-42.38
CC1=CC=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300017285778	0	37	-1.0	-55.83	312.00	7.83	-48.00
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017285779	0	35	-1.0	-58.63	318.50	6.02	-52.61
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285780	0	39	-1.0	-42.54	345.45	7.46	-35.08
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300017285781	0	37	-1.0	-59.06	324.68	2.45	-56.61
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017285782	0	35	-1.0	-47.40	307.64	5.22	-42.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017285784	0	32	-1.0	-54.57	288.43	5.30	-49.27
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017285785	0	32	-1.0	-48.52	312.02	5.96	-42.56
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017285786	0	32	-1.0	-42.31	300.75	5.60	-36.71
CC1=CC(Br)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285787	0	32	-1.0	-51.88	298.92	5.71	-46.17
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285788	0	40	-1.0	-49.55	341.18	3.41	-46.14
CSC1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285789	0	33	-1.0	-50.44	293.96	5.72	-44.72
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Br	REAL300017285790	0	36	-1.0	-55.29	330.43	4.10	-51.19
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285791	0	40	-1.0	-52.77	330.01	5.17	-47.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017285792	0	41	-1.0	-52.86	342.78	4.73	-48.13
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300017285793	0	35	-1.0	-53.18	336.70	2.55	-50.63
COC1=C(F)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017285794	0	35	-1.0	-49.17	319.72	5.26	-43.91
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017285795	0	39	-1.0	-52.71	347.56	3.70	-49.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017285796	0	40	-1.0	-59.36	355.15	6.23	-53.13
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(OC)=C1	REAL300017285797	0	39	-1.0	-48.28	338.91	5.26	-43.02
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285798	0	32	-1.0	-43.51	301.12	6.04	-37.47
CC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017285799	0	37	-1.0	-55.15	323.58	6.59	-48.56
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017285800	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	REAL300017285801	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	REAL300017285802	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	REAL300017285803	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	REAL300017285804	0	34	-1.0	-45.68	311.51	4.80	-40.88
COC1=CC(F)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300017285805	0	33	-1.0	-47.49	299.56	4.28	-43.21
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1	REAL300017285806	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	REAL300017285807	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	REAL300017285808	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	REAL300017285809	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	REAL300017285810	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	REAL300017285811	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	REAL300017285812	0	35	-1.0	-48.17	318.99	4.51	-43.66
CCC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300017285813	0	39	-1.0	-61.75	334.16	3.94	-57.81
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017285814	0	35	-1.0	-46.10	324.14	6.46	-39.64
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285815	0	40	-1.0	-45.06	327.06	6.46	-38.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017285816	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	REAL300017285817	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	REAL300017285818	0	34	-1.0	-49.27	292.48	4.89	-44.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017285819	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	REAL300017285820	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	REAL300017285821	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	REAL300017285822	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	REAL300017285823	0	37	-1.0	-51.88	322.57	4.15	-47.73
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017285824	0	32	-1.0	-60.98	310.12	5.80	-55.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1CCCN1C(=O)OCC1=CC=CC=C1	REAL300017285825	0	50	-1.0	-61.90	416.86	7.38	-54.52
CC1=NOC2=NC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C12	REAL300017285826	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	REAL300017285827	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	REAL300017285828	0	31	-1.0	-47.45	302.78	6.02	-41.43
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(C(=O)OC)S1	REAL300017285829	0	38	-1.0	-53.73	356.23	5.68	-48.05
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285830	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	REAL300017285831	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	REAL300017285832	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	REAL300017285833	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	REAL300017285834	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	REAL300017285835	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	REAL300017285836	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	REAL300017285837	0	37	-1.0	-52.38	324.80	1.87	-50.51
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300017285838	0	42	-1.0	-57.31	378.55	6.46	-50.85
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1F	REAL300017285874	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	REAL300017285875	0	37	-1.0	-51.05	322.06	5.36	-45.69
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017285876	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	REAL300017285877	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	REAL300017285878	0	32	-1.0	-48.05	312.45	6.36	-41.69
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017285879	0	30	-1.0	-40.93	288.19	5.43	-35.50
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300017285880	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	REAL300017285881	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	REAL300017285882	0	33	-1.0	-45.13	316.28	5.08	-40.05
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285883	0	41	-1.0	-44.57	314.29	7.25	-37.32
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285884	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	REAL300017285885	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	REAL300017285886	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	REAL300017285887	0	40	-1.0	-55.83	362.93	7.60	-48.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017285888	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	REAL300017285889	0	35	-1.0	-54.79	340.00	6.09	-48.70
COC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300017285890	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	REAL300017285891	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	REAL300017285892	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	REAL300017285893	0	41	-1.0	-46.70	338.34	5.29	-41.41
CCOC(=O)N1CCC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)CC1	REAL300017285894	0	43	-1.0	-64.46	351.67	4.32	-60.14
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2)=CO1	REAL300017285895	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	REAL300017285896	0	28	-1.0	-46.86	283.35	3.48	-43.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017285897	0	37	-1.0	-53.39	309.77	4.96	-48.43
COC1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285898	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	REAL300017285899	0	38	-1.0	-49.42	344.24	7.26	-42.16
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300017285900	0	50	-1.0	-43.60	411.63	7.66	-35.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1CCCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017285901	0	50	-1.0	-58.77	410.80	7.34	-51.43
COC(=O)CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300017285902	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	REAL300017285903	0	39	-1.0	-53.30	337.89	6.19	-47.11
CN(C1(C(=O)[O-])CC1)S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017285904	0	47	-1.0	-50.11	399.49	6.74	-43.37
CN(C1(C(=O)[O-])CC1)S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017285905	0	47	-1.0	-50.02	399.72	6.76	-43.26
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017285906	0	44	-1.0	-46.70	383.84	6.08	-40.62
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300017285907	0	31	-1.0	-49.50	300.06	5.05	-44.45
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C21	REAL300017285908	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)=C1Br	REAL300017285909	0	29	-1.0	-42.66	286.20	5.58	-37.08
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017285910	0	29	-1.0	-49.17	292.38	5.49	-43.68
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285911	0	39	-1.0	-48.66	317.20	6.17	-42.49
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300017285912	0	35	-1.0	-52.63	315.58	5.11	-47.52
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285913	0	33	-1.0	-48.35	300.96	5.12	-43.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017285914	0	30	-1.0	-50.55	296.78	5.32	-45.23
COC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300017285915	0	36	-1.0	-48.29	319.61	5.23	-43.06
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300017285916	0	35	-1.0	-43.66	334.05	5.50	-38.16
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300017285917	0	36	-1.0	-55.31	317.35	3.45	-51.86
COC1=CC(Cl)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1OC	REAL300017285918	0	37	-1.0	-45.52	326.56	4.35	-41.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017285919	0	33	-1.0	-52.32	301.70	4.07	-48.25
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017285920	0	32	-1.0	-49.94	300.58	5.47	-44.47
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300017285921	0	40	-1.0	-56.47	346.97	1.46	-55.01
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C2S1	REAL300017285922	0	41	-1.0	-53.95	370.77	7.46	-46.49
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(Br)=C1	REAL300017285923	0	33	-1.0	-43.88	300.02	4.49	-39.39
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017285924	0	34	-1.0	-59.66	313.04	0.01	-59.65
CC1=CC2=C(C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1)OCO2	REAL300017285925	0	35	-1.0	-48.27	293.16	3.86	-44.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300017285926	0	35	-1.0	-51.77	322.53	5.61	-46.16
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285927	0	35	-1.0	-46.78	308.04	5.86	-40.92
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017285928	0	29	-1.0	-41.46	284.15	5.55	-35.91
CC1=CC(F)=CC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285929	0	35	-1.0	-43.20	286.89	6.03	-37.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017285930	0	29	-1.0	-43.93	291.26	5.87	-38.06
COC1=CC2=C(C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1)OCC(=O)N2	REAL300017285931	0	39	-1.0	-50.89	334.89	1.82	-49.07
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017285932	0	30	-1.0	-49.25	282.47	3.19	-46.06
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017285933	0	29	-1.0	-44.90	284.29	5.24	-39.66
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1OC	REAL300017285934	0	39	-1.0	-53.49	338.25	5.14	-48.35
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017285935	0	33	-1.0	-56.58	307.46	1.72	-54.86
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017285936	0	40	-1.0	-52.05	335.34	6.04	-46.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017285937	0	33	-1.0	-52.28	312.94	5.59	-46.69
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017285978	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	REAL300017285979	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	REAL300017285980	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-]	REAL300017285981	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	REAL300017285982	0	43	-1.0	-49.69	371.85	6.97	-42.72
CC1=CC=C(Br)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285983	0	32	-1.0	-45.67	295.95	6.02	-39.65
COC(=O)C1=COC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285984	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	REAL300017285985	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	REAL300017285986	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	REAL300017285987	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	REAL300017285988	0	39	-1.0	-66.24	329.77	4.17	-62.07
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017285989	0	34	-1.0	-47.58	310.12	4.72	-42.86
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017285990	0	35	-1.0	-48.38	302.93	2.44	-45.94
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017285991	0	41	-1.0	-54.71	330.37	4.98	-49.73
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017285992	0	31	-1.0	-50.24	290.96	3.66	-46.58
CC1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285993	0	32	-1.0	-45.96	292.20	5.90	-40.06
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285994	0	37	-1.0	-52.77	315.15	5.18	-47.59
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN=C1Cl	REAL300017285995	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	REAL300017285996	0	35	-1.0	-55.90	307.54	3.49	-52.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017285997	0	28	-1.0	-52.76	277.31	4.18	-48.58
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017285998	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	REAL300017285999	0	37	-1.0	-54.98	314.45	2.98	-52.00
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017286000	0	30	-1.0	-46.00	291.64	5.61	-40.39
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300017294774	0	35	-1.0	-57.45	312.23	5.02	-52.43
CC1=C(Br)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017294775	0	34	-1.0	-48.01	324.52	5.34	-42.67
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(F)=C1F	REAL300017294776	0	35	-1.0	-49.46	325.41	4.28	-45.18
O=C([O-])C(NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C1CC1	REAL300017294777	0	41	-1.0	-56.47	346.19	5.02	-51.45
O=C([O-])C(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C1CC1	REAL300017294778	0	47	-1.0	-53.88	348.89	5.26	-48.62
CC1=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=CC=C2C=C1	REAL300017294779	0	37	-1.0	-63.46	322.45	4.82	-58.64
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300017294780	0	37	-1.0	-53.68	329.46	5.56	-48.12
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C1CC1	REAL300017294781	0	40	-1.0	-55.98	339.87	2.14	-53.84
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294782	0	43	-1.0	-42.37	365.82	4.91	-37.46
N#CC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Br	REAL300017294783	0	30	-1.0	-38.20	298.44	4.29	-33.91
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Cl	REAL300017294784	0	32	-1.0	-42.28	301.57	4.82	-37.46
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C1CC1	REAL300017294785	0	35	-1.0	-53.88	314.21	4.71	-49.17
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2)=N1	REAL300017294786	0	38	-1.0	-46.14	352.33	5.19	-40.95
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1F	REAL300017294787	0	35	-1.0	-50.04	328.69	4.49	-45.55
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294788	0	38	-1.0	-46.69	334.07	4.65	-42.04
CC1=C(Br)C=CC=C1CS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294789	0	35	-1.0	-56.89	317.89	5.48	-51.41
O=C([O-])C(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C1CC1	REAL300017294790	0	32	-1.0	-56.31	303.23	4.79	-51.52
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C1CC1	REAL300017294791	0	29	-1.0	-50.19	299.99	4.72	-45.47
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294792	0	36	-1.0	-60.54	315.66	0.98	-59.56
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017294793	0	54	-1.0	-44.79	446.43	8.66	-36.13
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017294794	0	44	-1.0	-50.66	371.70	5.96	-44.70
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294795	0	39	-1.0	-40.91	337.24	5.84	-35.07
O=C([O-])C(NS(=O)(=O)CCC1=CC=C(F)C=C1)C1CC1	REAL300017294796	0	35	-1.0	-40.87	311.01	5.14	-35.73
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1F)C1CC1	REAL300017294797	0	35	-1.0	-45.20	310.17	5.11	-40.09
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1Cl)C1CC1	REAL300017294798	0	35	-1.0	-43.63	317.27	5.44	-38.19
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294799	0	33	-1.0	-38.41	303.30	4.48	-33.93
COC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1)C(=O)NCCC2	REAL300017294800	0	44	-1.0	-70.13	367.44	2.51	-67.62
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)S2)C1	REAL300017294801	0	40	-1.0	-46.47	354.33	4.16	-42.31
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)SC2=CC=C(C#N)C=C12	REAL300017294802	0	36	-1.0	-55.67	330.19	5.92	-49.75
NC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(F)C=C1Br	REAL300017294803	0	33	-1.0	-44.80	309.84	0.78	-44.02
O=C([O-])C(NS(=O)(=O)CC1=CC(F)=CC=C1Br)C1CC1	REAL300017294804	0	32	-1.0	-55.58	306.45	4.90	-50.68
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294805	0	42	-1.0	-53.48	349.76	5.21	-48.27
CC(CC(F)(F)F)CS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294806	0	34	-1.0	-58.51	297.01	3.81	-54.70
O=C([O-])C(NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C1CC1	REAL300017294807	0	36	-1.0	-56.40	326.91	5.41	-50.99
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C3CC3)=C2)=N1	REAL300017294808	0	41	-1.0	-60.08	353.57	3.60	-56.48
COC1=CC(F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294809	0	33	-1.0	-54.06	295.61	3.44	-50.62
COC(=O)C1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)O1	REAL300017294810	0	35	-1.0	-47.97	323.53	3.10	-44.87
CCC1=NC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CN1CC1CC1	REAL300017294811	0	42	-1.0	-56.80	359.27	6.17	-50.63
CC(=O)N1CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2C1	REAL300017294812	0	40	-1.0	-64.36	345.34	4.07	-60.29
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C1CC1	REAL300017294813	0	32	-1.0	-53.02	302.53	3.13	-49.89
O=C([O-])C(NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C1CC1	REAL300017294814	0	32	-1.0	-65.53	310.42	3.39	-62.14
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300017294815	0	48	-1.0	-45.85	397.58	6.77	-39.08
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=C1[N+](=O)[O-]	REAL300017294816	0	37	-1.0	-45.13	325.75	6.07	-39.06
O=C([O-])C(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C1CC1	REAL300017294817	0	42	-1.0	-45.51	367.09	6.05	-39.46
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C1CC1	REAL300017294818	0	43	-1.0	-45.26	383.60	7.07	-38.19
COC(CS(=O)(=O)NC(C(=O)[O-])C1CC1)C1=CC=C(F)C=C1	REAL300017294819	0	39	-1.0	-42.04	342.46	4.30	-37.74
O=C([O-])C(NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C1CC1	REAL300017294820	0	41	-1.0	-56.93	346.14	5.02	-51.91
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300017294821	0	37	-1.0	-45.31	343.75	2.51	-42.80
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=CC=C12	REAL300017294822	0	41	-1.0	-56.94	354.21	6.51	-50.43
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300017294823	0	40	-1.0	-49.63	350.84	2.82	-46.81
O=C([O-])C(NS(=O)(=O)CC1(C(F)F)CCCC1)C1CC1	REAL300017294824	0	38	-1.0	-40.92	312.83	4.96	-35.96
CCOC1(CS(=O)(=O)NC(C(=O)[O-])C2CC2)CCOCC1	REAL300017294825	0	43	-1.0	-42.59	342.25	2.46	-40.13
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1F	REAL300017294826	0	35	-1.0	-49.15	317.23	4.05	-45.10
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=C(Cl)C=C21	REAL300017294827	0	40	-1.0	-59.86	360.27	5.40	-54.46
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294828	0	32	-1.0	-43.07	307.69	2.34	-40.73
O=C([O-])C(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C1CC1	REAL300017294829	0	40	-1.0	-58.29	362.47	7.68	-50.61
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294830	0	32	-1.0	-39.13	303.88	5.18	-33.95
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1Br	REAL300017294831	0	32	-1.0	-54.89	295.59	4.90	-49.99
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294832	0	35	-1.0	-46.80	319.09	5.34	-41.46
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1CC1	REAL300017294833	0	37	-1.0	-52.88	320.68	1.35	-51.53
COC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294834	0	33	-1.0	-53.21	312.68	3.50	-49.71
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300017294835	0	35	-1.0	-43.29	321.64	4.46	-38.83
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294836	0	35	-1.0	-40.87	316.18	5.54	-35.33
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300017294837	0	36	-1.0	-55.41	320.28	1.17	-54.24
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294838	0	42	-1.0	-48.73	356.19	5.18	-43.55
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C1CC1	REAL300017294839	0	36	-1.0	-49.35	330.45	4.27	-45.08
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1C	REAL300017294840	0	56	-1.0	-45.86	449.60	8.15	-37.71
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300017294841	0	43	-1.0	-38.94	372.95	1.55	-37.39
O=C([O-])C(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300017294842	0	37	-1.0	-43.80	338.16	5.86	-37.94
O=C([O-])C(NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C1CC1	REAL300017294843	0	29	-1.0	-39.33	288.87	4.28	-35.05
O=C([O-])C(NS(=O)(=O)CC1=CC=C(F)C=C1F)C1CC1	REAL300017294844	0	32	-1.0	-42.03	294.82	4.38	-37.65
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C1CC1	REAL300017294845	0	36	-1.0	-59.26	330.70	1.59	-57.67
CCN1C(=O)OC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C21	REAL300017294846	0	38	-1.0	-46.13	337.77	4.58	-41.55
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294847	0	32	-1.0	-52.48	294.69	4.90	-47.58
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Br	REAL300017294848	0	33	-1.0	-43.30	316.04	3.69	-39.61
CS(=O)(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(Cl)S1	REAL300017294849	0	32	-1.0	-57.32	329.63	0.69	-56.63
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C1CC1	REAL300017294850	0	32	-1.0	-59.03	304.48	2.62	-56.41
CC1(C)CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C2O1	REAL300017294851	0	40	-1.0	-47.09	343.53	4.98	-42.11
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300017294852	0	37	-1.0	-42.65	345.08	0.50	-42.15
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017294853	0	43	-1.0	-62.14	397.95	1.25	-60.89
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(OC)=C1	REAL300017294854	0	44	-1.0	-63.28	384.01	1.01	-62.27
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017294855	0	48	-1.0	-62.82	415.31	4.54	-58.28
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300017294856	0	43	-1.0	-40.63	383.77	2.07	-38.56
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C1CC1	REAL300017294857	0	44	-1.0	-47.56	364.21	4.43	-43.13
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300017294858	0	40	-1.0	-41.95	366.54	1.39	-40.56
CCC(=O)NCC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1OC	REAL300017294859	0	46	-1.0	-51.38	397.03	2.89	-48.49
COC1=CC=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294860	0	33	-1.0	-56.16	306.85	3.64	-52.52
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C1CC1	REAL300017294861	0	44	-1.0	-45.25	375.61	4.06	-41.19
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294862	0	38	-1.0	-45.88	348.28	2.15	-43.73
O=C([O-])C(NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C1CC1	REAL300017294863	0	31	-1.0	-50.60	308.07	3.45	-47.15
CC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Br	REAL300017294864	0	34	-1.0	-40.61	320.92	4.72	-35.89
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294865	0	34	-1.0	-47.83	311.83	4.51	-43.32
N#CC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294866	0	30	-1.0	-52.18	304.01	4.59	-47.59
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Br	REAL300017294867	0	36	-1.0	-43.30	333.62	4.51	-38.79
O=C([O-])C(NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C1CC1	REAL300017294868	0	43	-1.0	-60.97	376.85	2.97	-58.00
O=C([O-])C(NS(=O)(=O)CC1=C(F)C=CC=C1F)C1CC1	REAL300017294869	0	32	-1.0	-60.57	293.99	4.32	-56.25
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294870	0	42	-1.0	-45.69	374.74	5.32	-40.37
O=C([O-])C(NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C1CC1	REAL300017294871	0	29	-1.0	-37.99	291.14	5.02	-32.97
COC1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300017294872	0	39	-1.0	-53.55	333.31	4.42	-49.13
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017294873	0	45	-1.0	-42.89	373.74	5.93	-36.96
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C1CC1	REAL300017294874	0	43	-1.0	-42.84	356.48	5.84	-37.00
CC(C)COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017294875	0	42	-1.0	-43.11	354.78	5.33	-37.78
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017294876	0	39	-1.0	-43.18	334.68	4.63	-38.55
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300017294877	0	33	-1.0	-43.58	311.64	3.58	-40.00
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C1CC1	REAL300017294878	0	33	-1.0	-43.73	317.14	3.74	-39.99
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1OC(C)C	REAL300017294879	0	42	-1.0	-44.21	351.21	5.21	-39.00
COCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017294880	0	40	-1.0	-48.56	351.06	3.22	-45.34
COCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300017294881	0	43	-1.0	-44.86	366.91	3.85	-41.01
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294882	0	40	-1.0	-59.74	350.48	3.21	-56.53
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C1CC1	REAL300017294883	0	44	-1.0	-47.57	370.77	3.16	-44.41
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294884	0	39	-1.0	-60.10	333.71	3.44	-56.66
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(Br)=C1	REAL300017294885	0	32	-1.0	-54.12	298.83	5.00	-49.12
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294886	0	35	-1.0	-54.05	336.53	1.77	-52.28
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294887	0	35	-1.0	-59.24	321.71	5.61	-53.63
N#CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300017294888	0	30	-1.0	-39.11	302.33	4.53	-34.58
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294889	0	32	-1.0	-40.20	298.81	5.15	-35.05
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1C	REAL300017294890	0	37	-1.0	-58.83	310.23	6.46	-52.37
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294891	0	35	-1.0	-44.11	325.37	4.76	-39.35
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294892	0	38	-1.0	-53.73	337.62	2.05	-51.68
N#CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C(F)(F)F)=C1	REAL300017294893	0	33	-1.0	-51.41	304.90	5.49	-45.92
N#CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Cl	REAL300017294894	0	30	-1.0	-41.64	302.35	4.52	-37.12
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017294895	0	45	-1.0	-47.39	374.05	5.38	-42.01
O=C([O-])C(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1CC1	REAL300017294896	0	41	-1.0	-49.40	375.12	1.57	-47.83
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017294897	0	37	-1.0	-50.02	342.70	-0.10	-50.12
CC(=O)NCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017294898	0	39	-1.0	-64.18	358.44	2.56	-61.62
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)O1	REAL300017294899	0	32	-1.0	-47.13	305.66	2.52	-44.61
O=C([O-])C(NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1CC1	REAL300017294900	1	31	-1.0	-64.16	286.34	5.30	-58.86
O=C([O-])C(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C1CC1	REAL300017294901	0	32	-1.0	-38.43	316.60	5.30	-33.13
CCOC(=O)C1=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(C)N1	REAL300017294902	0	42	-1.0	-49.16	362.03	4.41	-44.75
O=C([O-])C(NS(=O)(=O)C1=C(F)C=CC=C1Br)C1CC1	REAL300017294903	0	29	-1.0	-60.20	280.17	4.49	-55.71
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)S2)=CS1	REAL300017294904	0	35	-1.0	-46.36	343.44	4.25	-42.11
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C1CC1	REAL300017294905	0	49	-1.0	-44.62	400.68	7.34	-37.28
O=C([O-])C(NS(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1)C1CC1	REAL300017294906	0	39	-1.0	-57.94	356.98	3.11	-54.83
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294907	0	38	-1.0	-45.87	331.60	5.18	-40.69
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1CC1	REAL300017294908	0	31	-1.0	-45.65	300.31	5.73	-39.92
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1OC	REAL300017294909	0	37	-1.0	-54.15	325.15	2.86	-51.29
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1OC	REAL300017294910	0	40	-1.0	-45.55	335.54	3.72	-41.83
O=C([O-])C(NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C1CC1	REAL300017294911	1	31	-1.0	-52.77	311.62	6.39	-46.38
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294912	0	37	-1.0	-50.68	310.64	5.42	-45.26
O=C([O-])C(NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C1CC1	REAL300017294913	0	32	-1.0	-59.88	299.90	4.44	-55.44
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(N)=O	REAL300017294914	0	34	-1.0	-56.02	304.83	-0.25	-56.27
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294915	0	32	-1.0	-40.21	294.17	5.05	-35.16
CCOC(=O)C1CCCN1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294916	0	40	-1.0	-45.76	341.72	4.48	-41.28
CNC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CN1C	REAL300017294917	0	37	-1.0	-55.58	324.62	1.20	-54.38
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=C1	REAL300017294918	0	39	-1.0	-52.75	318.15	4.42	-48.33
O=C([O-])C(NS(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1)C1CC1	REAL300017294919	0	37	-1.0	-59.01	335.97	3.40	-55.61
COC(=O)C1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017294920	0	38	-1.0	-59.41	340.31	4.97	-54.44
COC(=O)C1CCN(S(=O)(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300017294921	0	40	-1.0	-55.77	333.01	3.33	-52.44
O=C([O-])C(NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C1CC1	REAL300017294922	0	40	-1.0	-57.30	337.41	3.72	-53.58
COC(=O)C1=CC=CC(CS(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294923	0	38	-1.0	-66.02	340.33	4.96	-61.06
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)O1	REAL300017294924	0	35	-1.0	-47.34	327.52	3.44	-43.90
COC(=O)CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017294925	0	42	-1.0	-45.68	368.64	4.68	-41.00
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300017294926	0	39	-1.0	-44.14	326.43	4.56	-39.58
O=C([O-])C(NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C1CC1	REAL300017294927	0	33	-1.0	-58.00	300.30	3.96	-54.04
O=C([O-])C(NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C1CC1	REAL300017294928	0	32	-1.0	-57.20	296.67	5.65	-51.55
O=C([O-])C(NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C1CC1	REAL300017294929	0	31	-1.0	-45.58	304.87	5.83	-39.75
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294930	0	34	-1.0	-60.28	296.45	6.00	-54.28
O=C([O-])C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C1CC1	REAL300017294931	0	31	-1.0	-47.55	305.64	5.01	-42.54
O=C([O-])C(NS(=O)(=O)C1=C(Br)C=CS1)C1CC1	REAL300017294932	0	26	-1.0	-37.36	265.65	2.93	-34.43
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1COC2=O)C1CC1	REAL300017294933	0	33	-1.0	-42.95	299.24	3.98	-38.97
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=CN=C2C=C1	REAL300017294934	0	37	-1.0	-48.44	311.58	4.90	-43.54
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Cl)N=C1)C1CC1	REAL300017294935	0	31	-1.0	-39.35	294.82	2.93	-36.42
O=C([O-])C(NS(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1)C1CC1	REAL300017294936	0	37	-1.0	-54.70	326.23	2.83	-51.87
O=C([O-])C(NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C1CC1	REAL300017294937	0	28	-1.0	-41.46	292.29	2.99	-38.47
O=C([O-])C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C1CC1	REAL300017294938	0	31	-1.0	-42.02	296.51	4.41	-37.61
O=C([O-])C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C1CC1	REAL300017294939	0	31	-1.0	-40.71	310.52	4.85	-35.86
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294940	0	38	-1.0	-48.85	336.68	2.02	-46.83
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300017294941	0	34	-1.0	-54.61	311.03	4.45	-50.16
O=C([O-])C(NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C1CC1	REAL300017294942	0	31	-1.0	-48.61	293.86	5.42	-43.19
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C1CC1	REAL300017294943	0	31	-1.0	-52.72	296.60	4.33	-48.39
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C1CC1	REAL300017294944	0	36	-1.0	-41.85	332.75	4.30	-37.55
O=C([O-])C(NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C1CC1	REAL300017294945	0	31	-1.0	-56.76	301.73	5.74	-51.02
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1CC1	REAL300017294946	0	43	-1.0	-44.20	373.09	6.90	-37.30
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(F)=C1	REAL300017294947	0	37	-1.0	-47.80	340.97	0.26	-47.54
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294948	0	37	-1.0	-60.43	324.95	4.86	-55.57
CCOC(=O)N1CCN(S(=O)(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300017294949	0	42	-1.0	-53.56	345.49	2.30	-51.26
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=C(Cl)N=C2C=C1	REAL300017294950	0	38	-1.0	-48.33	345.16	4.96	-43.37
O=C([O-])C(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1CC1	REAL300017294951	0	39	-1.0	-57.47	346.50	5.12	-52.35
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294952	0	51	-1.0	-54.94	394.01	6.40	-48.54
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294953	0	35	-1.0	-58.94	332.10	4.99	-53.95
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017294954	0	37	-1.0	-45.13	339.64	0.43	-44.70
O=C([O-])C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C1CC1	REAL300017294955	0	44	-1.0	-57.23	383.84	2.72	-54.51
CS(=O)(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1F	REAL300017294956	0	35	-1.0	-44.13	326.96	1.16	-42.97
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Br	REAL300017294957	0	35	-1.0	-42.23	332.91	4.73	-37.50
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300017294958	0	42	-1.0	-57.13	354.26	6.28	-50.85
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294959	0	39	-1.0	-59.76	334.62	5.00	-54.76
O=C([O-])C(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C1CC1	REAL300017294960	0	34	-1.0	-71.18	310.24	3.75	-67.43
O=C([O-])C(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C1CC1	REAL300017294961	0	36	-1.0	-53.91	323.21	4.72	-49.19
O=C([O-])C(NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C1CC1	REAL300017294962	0	31	-1.0	-44.41	310.52	4.86	-39.55
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017294963	0	43	-1.0	-48.83	372.92	4.19	-44.64
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017294964	0	45	-1.0	-44.75	381.94	6.31	-38.44
O=C([O-])C(NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1CC1	REAL300017294965	0	31	-1.0	-60.86	292.67	5.76	-55.10
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1F	REAL300017294966	0	35	-1.0	-43.31	321.19	4.28	-39.03
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(Cl)C=C1Cl	REAL300017294967	0	35	-1.0	-50.73	343.41	5.25	-45.48
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294968	0	39	-1.0	-65.37	346.04	4.08	-61.29
COC(=O)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017294969	0	35	-1.0	-60.41	329.83	4.17	-56.24
COC(=O)C1=CSC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294970	0	32	-1.0	-53.73	310.62	3.28	-50.45
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294971	0	41	-1.0	-62.34	347.82	5.69	-56.65
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Cl	REAL300017294972	0	35	-1.0	-42.41	329.17	4.66	-37.75
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1C	REAL300017294973	0	38	-1.0	-44.36	336.95	4.91	-39.45
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294974	0	35	-1.0	-45.84	318.91	4.28	-41.56
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C1CC1	REAL300017294975	0	39	-1.0	-44.55	315.36	6.21	-38.34
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C1CC1	REAL300017294976	0	35	-1.0	-48.60	313.05	5.50	-43.10
O=C([O-])C(NS(=O)(=O)C1=CN=CC(Br)=C1)C1CC1	REAL300017294977	0	28	-1.0	-39.61	278.17	2.43	-37.18
O=C([O-])C(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C1CC1	REAL300017294978	0	33	-1.0	-39.40	318.22	5.08	-34.32
O=C([O-])C(NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C1CC1	REAL300017294979	0	34	-1.0	-41.68	312.52	-0.91	-42.59
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2S1	REAL300017294980	0	43	-1.0	-53.64	372.79	5.49	-48.15
COC(=O)CC1(CS(=O)(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300017294981	0	38	-1.0	-49.19	330.03	4.15	-45.04
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294982	0	34	-1.0	-53.25	317.67	3.70	-49.55
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(F)C=C1F	REAL300017294983	0	32	-1.0	-44.45	285.82	4.08	-40.37
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294984	0	36	-1.0	-42.15	315.80	5.01	-37.14
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C21	REAL300017294985	0	41	-1.0	-55.85	352.62	5.13	-50.72
CCCCCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(=O)NC1=O	REAL300017294986	0	47	-1.0	-52.87	397.46	4.32	-48.55
CC1=CN(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2F)N=C1	REAL300017294987	0	39	-1.0	-46.24	349.71	5.58	-40.66
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017294988	0	36	-1.0	-44.56	339.09	2.60	-41.96
CCS(=O)(=O)NCCS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294989	0	36	-1.0	-61.50	325.61	-1.66	-63.16
CC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300017294990	0	32	-1.0	-43.56	285.83	4.09	-39.47
CC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017294991	0	34	-1.0	-55.22	321.85	5.40	-49.82
O=C([O-])C(NS(=O)(=O)C1=CC=C(Br)O1)C1CC1	REAL300017294992	0	26	-1.0	-42.67	266.24	2.38	-40.29
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)OC2=CC=C(F)C=C12	REAL300017294993	0	35	-1.0	-45.84	310.76	5.29	-40.55
O=C([O-])C(NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C1CC1	REAL300017294994	0	26	-1.0	-49.12	292.04	3.91	-45.21
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1)C1CC1	REAL300017294995	0	32	-1.0	-53.96	307.77	5.12	-48.84
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C1CC1	REAL300017294996	0	32	-1.0	-53.31	315.93	5.51	-47.80
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC(Cl)=CC=C2S1	REAL300017294997	0	35	-1.0	-57.90	328.19	6.47	-51.43
O=C([O-])C(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12)C1CC1	REAL300017294998	0	32	-1.0	-52.94	314.31	5.45	-47.49
O=C([O-])C(NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C1CC1	REAL300017294999	0	35	-1.0	-59.94	305.94	6.36	-53.58
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C1CC1	REAL300017295000	0	35	-1.0	-58.26	318.63	6.46	-51.80
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C1CC1	REAL300017295062	0	32	-1.0	-47.36	296.03	4.55	-42.81
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C1CC1	REAL300017295063	0	32	-1.0	-49.98	315.20	5.05	-44.93
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C1CC1	REAL300017295064	0	32	-1.0	-49.96	305.17	4.65	-45.31
CC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295065	0	32	-1.0	-52.10	304.59	4.87	-47.23
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295066	0	40	-1.0	-42.27	316.13	1.72	-40.55
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295067	0	33	-1.0	-58.85	296.97	4.68	-54.17
CC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Br	REAL300017295068	0	36	-1.0	-45.04	335.86	3.27	-41.77
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295069	0	40	-1.0	-51.42	340.14	4.07	-47.35
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C1CC1	REAL300017295070	0	41	-1.0	-56.66	351.04	3.59	-53.07
O=C([O-])C(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C1CC1	REAL300017295071	0	35	-1.0	-41.29	342.32	1.74	-39.55
COC1=C(F)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017295072	0	35	-1.0	-48.16	325.36	4.42	-43.74
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017295073	0	39	-1.0	-43.46	352.59	2.97	-40.49
O=C([O-])C(NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C1CC1	REAL300017295074	0	40	-1.0	-45.79	360.83	5.44	-40.35
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(OC)=C1	REAL300017295075	0	39	-1.0	-55.59	346.07	4.07	-51.52
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295076	0	32	-1.0	-38.84	303.89	5.19	-33.65
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017295077	0	37	-1.0	-60.11	322.47	5.76	-54.35
O=C([O-])C(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C1CC1	REAL300017295078	0	37	-1.0	-66.17	323.25	4.80	-61.37
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295079	0	45	-1.0	-54.68	402.54	2.41	-52.27
O=C([O-])C(NS(=O)(=O)C1CCS(=O)(=O)CC1)C1CC1	REAL300017295080	0	35	-1.0	-46.02	307.04	0.11	-45.91
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C21	REAL300017295081	0	39	-1.0	-57.79	342.13	4.50	-53.29
O=C([O-])C(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C1CC1	REAL300017295082	0	34	-1.0	-43.08	310.10	3.79	-39.29
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(F)=C1	REAL300017295083	0	33	-1.0	-57.30	298.38	3.13	-54.17
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=C1	REAL300017295084	0	39	-1.0	-54.48	326.99	4.73	-49.75
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295085	0	37	-1.0	-61.59	336.37	-0.28	-61.87
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295086	0	38	-1.0	-59.93	331.91	5.29	-54.64
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C1CC1	REAL300017295087	0	33	-1.0	-57.25	301.09	3.67	-53.58
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295088	0	33	-1.0	-45.22	306.29	4.74	-40.48
CCCOC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295089	0	41	-1.0	-42.69	359.98	6.00	-36.69
O=C([O-])C(NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C1CC1	REAL300017295090	0	35	-1.0	-44.73	325.30	3.58	-41.15
CCC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295091	0	39	-1.0	-48.97	342.77	3.43	-45.54
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300017295092	0	35	-1.0	-59.61	322.09	5.25	-54.36
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295093	0	40	-1.0	-56.78	331.41	5.40	-51.38
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C1CC1	REAL300017295094	0	28	-1.0	-48.86	288.15	2.77	-46.09
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C1CC1	REAL300017295095	0	35	-1.0	-49.04	305.78	3.35	-45.69
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C1CC1	REAL300017295096	0	34	-1.0	-55.96	299.22	4.10	-51.86
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C1CC1	REAL300017295097	0	41	-1.0	-57.03	354.67	5.57	-51.46
O=C([O-])C(NS(=O)(=O)C1=CC(Br)=CC=C1F)C1CC1	REAL300017295098	0	29	-1.0	-41.99	285.46	4.26	-37.73
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300017295099	0	35	-1.0	-40.92	316.27	5.13	-35.79
O=C([O-])C(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C1CC1	REAL300017295100	0	35	-1.0	-45.95	323.37	4.81	-41.14
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C12	REAL300017295101	0	37	-1.0	-45.21	328.17	3.34	-41.87
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Br)C=C1F)C1CC1	REAL300017295102	0	32	-1.0	-42.04	309.71	4.94	-37.10
O=C([O-])C(NS(=O)(=O)CC1CCCN1C(=O)OCC1=CC=CC=C1)C1CC1	REAL300017295103	0	50	-1.0	-56.40	415.76	6.40	-50.00
CC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C12	REAL300017295104	0	33	-1.0	-45.98	301.46	0.59	-45.39
O=C([O-])C(NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C1CC1	REAL300017295105	0	38	-1.0	-45.19	347.64	6.57	-38.62
O=C([O-])C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C1CC1	REAL300017295106	0	31	-1.0	-55.30	305.60	5.01	-50.29
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(C(=O)OC)S1	REAL300017295107	0	38	-1.0	-46.95	361.21	4.94	-42.01
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295108	0	35	-1.0	-60.32	313.54	5.21	-55.11
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1Cl)C1CC1	REAL300017295109	0	32	-1.0	-44.17	296.48	4.73	-39.44
O=C([O-])C(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C1CC1	REAL300017295110	0	41	-1.0	-59.02	358.45	2.12	-56.90
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CN=C2S1	REAL300017295111	0	43	-1.0	-45.62	390.50	5.35	-40.27
O=C([O-])C(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C1CC1	REAL300017295112	0	36	-1.0	-57.95	331.50	4.10	-53.85
O=C([O-])C(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C1CC1	REAL300017295113	0	29	-1.0	-41.14	297.13	4.88	-36.26
COC1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Br	REAL300017295114	0	37	-1.0	-42.19	326.21	3.80	-38.39
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CN=C21	REAL300017295115	0	37	-1.0	-42.64	335.77	1.13	-41.51
O=C([O-])C(NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C1CC1	REAL300017295116	0	42	-1.0	-55.40	382.94	5.79	-49.61
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1F	REAL300017295152	0	38	-1.0	-45.45	347.32	5.32	-40.13
O=C([O-])C(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1CC1	REAL300017295153	0	37	-1.0	-48.52	322.21	4.24	-44.28
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC=C1Cl)C1CC1	REAL300017295154	0	29	-1.0	-41.38	282.23	4.33	-37.05
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295155	0	48	-1.0	-54.06	391.99	7.50	-46.56
O=C([O-])C(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C1CC1	REAL300017295156	0	32	-1.0	-57.25	310.41	5.16	-52.09
N#CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(Cl)=C1	REAL300017295157	0	30	-1.0	-39.13	290.46	4.49	-34.64
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300017295158	0	36	-1.0	-54.16	328.14	2.89	-51.27
CC1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C2O1	REAL300017295159	0	37	-1.0	-54.07	316.66	4.15	-49.92
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300017295160	0	33	-1.0	-52.82	325.16	4.15	-48.67
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295161	0	41	-1.0	-54.11	315.98	6.79	-47.32
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295162	0	41	-1.0	-43.23	350.79	2.64	-40.59
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CS1	REAL300017295163	0	32	-1.0	-59.58	307.30	3.22	-56.36
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295164	0	38	-1.0	-60.16	346.19	6.15	-54.01
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1CC1	REAL300017295165	0	40	-1.0	-45.41	371.52	7.09	-38.32
O=C([O-])C(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C1CC1	REAL300017295166	0	35	-1.0	-49.56	319.25	4.56	-45.00
O=C([O-])C(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C1CC1	REAL300017295167	0	35	-1.0	-45.65	333.71	5.26	-40.39
COC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1C	REAL300017295168	0	38	-1.0	-55.30	327.86	4.98	-50.32
O=C([O-])C(NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1CC1	REAL300017295169	0	31	-1.0	-52.51	311.49	4.89	-47.62
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295170	0	33	-1.0	-42.65	319.45	4.35	-38.30
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295171	0	41	-1.0	-47.54	339.82	4.26	-43.28
CCOC(=O)N1CCC(S(=O)(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300017295172	0	43	-1.0	-58.80	346.68	3.12	-55.68
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2)=CO1	REAL300017295173	0	38	-1.0	-49.14	338.23	2.68	-46.46
O=C([O-])C(NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C1CC1	REAL300017295174	0	28	-1.0	-47.34	286.88	2.62	-44.72
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C1CC1	REAL300017295175	0	37	-1.0	-45.24	315.54	4.25	-40.99
COC1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295176	0	33	-1.0	-43.99	300.16	3.39	-40.60
COC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=CC=C2S1	REAL300017295177	0	38	-1.0	-62.26	345.86	6.27	-55.99
O=C([O-])C(NS(=O)(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1)C1CC1	REAL300017295178	0	50	-1.0	-59.44	406.60	6.16	-53.28
O=C([O-])C(NS(=O)(=O)C1CCCN(C(=O)OCC2=CC=CC=C2)C1)C1CC1	REAL300017295179	0	50	-1.0	-58.26	408.20	6.15	-52.11
COC(=O)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295180	0	38	-1.0	-46.35	338.79	5.06	-41.29
CC1=CC=C(N2C=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=N2)C=C1	REAL300017295181	0	39	-1.0	-53.65	344.55	5.39	-48.26
O=C([O-])C(NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C1CC1	REAL300017295182	0	47	-1.0	-59.37	401.99	5.74	-53.63
O=C([O-])C(NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C1CC1	REAL300017295183	0	47	-1.0	-59.72	399.57	5.66	-54.06
O=C([O-])C(NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C1CC1	REAL300017295184	0	44	-1.0	-43.77	381.52	4.77	-39.00
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017295185	0	31	-1.0	-41.31	304.24	4.05	-37.26
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C21	REAL300017295186	0	40	-1.0	-63.18	345.28	4.79	-58.39
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C1CC1	REAL300017295187	0	29	-1.0	-44.20	297.69	4.90	-39.30
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C1CC1	REAL300017295188	0	29	-1.0	-41.23	302.25	4.81	-36.42
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295189	0	39	-1.0	-60.15	323.76	5.39	-54.76
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300017295190	0	35	-1.0	-44.77	321.18	4.30	-40.47
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295191	0	33	-1.0	-58.38	308.07	3.93	-54.45
N#CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Br	REAL300017295192	0	30	-1.0	-39.02	306.61	4.61	-34.41
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300017295193	0	36	-1.0	-56.68	321.92	4.23	-52.45
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017295194	0	35	-1.0	-51.86	338.06	4.28	-47.58
CC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300017295195	0	36	-1.0	-45.33	322.75	2.63	-42.70
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1OC	REAL300017295196	0	37	-1.0	-53.56	332.69	3.38	-50.18
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C1CC1	REAL300017295197	0	33	-1.0	-46.27	311.59	3.37	-42.90
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C1CC1	REAL300017295198	0	32	-1.0	-38.06	306.18	4.68	-33.38
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300017295199	0	40	-1.0	-43.33	353.22	0.71	-42.62
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C2S1	REAL300017295200	0	41	-1.0	-53.14	374.40	6.58	-46.56
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(Br)=C1	REAL300017295201	0	33	-1.0	-52.77	306.88	3.64	-49.13
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300017295202	0	34	-1.0	-54.74	318.65	-0.76	-55.50
CC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1)OCO2	REAL300017295203	0	35	-1.0	-56.88	303.77	3.20	-53.68
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C1CC1	REAL300017295204	0	35	-1.0	-41.14	324.95	4.65	-36.49
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295205	0	35	-1.0	-47.90	314.51	4.79	-43.11
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C1CC1	REAL300017295206	0	29	-1.0	-40.69	291.88	4.75	-35.94
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295207	0	35	-1.0	-50.33	296.44	5.29	-45.04
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C1CC1	REAL300017295208	0	29	-1.0	-53.28	296.27	4.90	-48.38
COC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1)OCC(=O)N2	REAL300017295209	0	39	-1.0	-46.38	337.58	0.65	-45.73
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NSN=C21)C1CC1	REAL300017295210	0	30	-1.0	-56.76	285.69	1.89	-54.87
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Br)=C1F)C1CC1	REAL300017295211	0	29	-1.0	-46.60	278.60	3.99	-42.61
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1OC	REAL300017295212	0	39	-1.0	-45.72	343.94	4.33	-41.39
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295213	0	33	-1.0	-57.33	313.13	0.87	-56.46
CC1(C)CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=C2O1	REAL300017295214	0	40	-1.0	-60.44	340.82	4.83	-55.61
N#CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1C(F)(F)F	REAL300017295215	0	33	-1.0	-39.65	318.52	4.80	-34.85
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295256	0	30	-1.0	-48.44	297.89	4.40	-44.04
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)N(C)C	REAL300017295257	0	43	-1.0	-52.23	364.17	3.39	-48.84
CC1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC(Cl)=C2O1	REAL300017295258	0	37	-1.0	-51.83	335.71	4.71	-47.12
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300017295259	0	34	-1.0	-41.05	310.34	4.90	-36.15
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC([N+](=O)[O-])=C1C	REAL300017295260	0	43	-1.0	-48.53	376.82	6.20	-42.33
CC1=CC=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295261	0	32	-1.0	-54.61	298.80	5.01	-49.60
COC(=O)C1=COC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295262	0	32	-1.0	-45.63	301.76	2.38	-43.25
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300017295263	0	40	-1.0	-52.55	349.57	4.38	-48.17
O=C([O-])C(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C1CC1	REAL300017295264	0	31	-1.0	-47.11	298.10	3.23	-43.88
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295265	0	39	-1.0	-49.25	340.08	4.27	-44.98
CC(=O)NC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1C	REAL300017295266	0	39	-1.0	-58.58	341.01	3.52	-55.06
O=C([O-])C(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C1CC1	REAL300017295267	0	34	-1.0	-46.92	311.77	3.75	-43.17
O=C([O-])C(NS(=O)(=O)C1=C2NC(=O)COC2=CC=C1)C1CC1	REAL300017295268	0	35	-1.0	-46.16	310.84	1.30	-44.86
CN1CCCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C21	REAL300017295269	0	41	-1.0	-48.83	340.34	4.27	-44.56
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C1CC1	REAL300017295270	0	31	-1.0	-41.01	297.35	2.95	-38.06
CC1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295271	0	32	-1.0	-43.31	292.10	4.76	-38.55
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295272	0	37	-1.0	-51.99	319.21	4.25	-47.74
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CN=C1Cl	REAL300017295273	0	31	-1.0	-48.95	290.47	2.76	-46.19
O=C([O-])C(NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C1CC1	REAL300017295274	0	35	-1.0	-55.16	311.06	2.58	-52.58
O=C([O-])C(NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C1CC1	REAL300017295275	0	28	-1.0	-56.33	283.41	3.36	-52.97
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017295276	0	38	-1.0	-44.54	336.98	5.33	-39.21
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(OC)=C1	REAL300017295277	0	37	-1.0	-57.50	320.86	2.20	-55.30
N#CC1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295278	0	30	-1.0	-39.84	291.43	4.49	-35.35
CN1C=NC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C21	REAL300017295279	0	35	-1.0	-52.95	314.36	5.08	-47.87
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300017295280	0	37	-1.0	-50.90	310.32	5.23	-45.67
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1CC	REAL300017295281	0	41	-1.0	-44.52	338.92	6.18	-38.34
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295282	0	37	-1.0	-48.68	318.24	5.87	-42.81
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1Cl	REAL300017295283	0	32	-1.0	-55.02	292.76	4.75	-50.27
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(C)O1	REAL300017295284	0	35	-1.0	-57.52	322.67	3.15	-54.37
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295285	0	30	-1.0	-42.12	288.60	1.60	-40.52
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C1CC1	REAL300017295286	0	35	-1.0	-61.22	311.82	5.10	-56.12
COC(=O)C1=NSC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295287	0	31	-1.0	-55.91	295.55	2.51	-53.40
COC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)SC=N1	REAL300017295288	1	31	-1.0	-60.71	293.15	1.75	-58.96
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(C)=C1F	REAL300017295289	0	35	-1.0	-51.85	308.91	4.93	-46.92
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C1CC1	REAL300017295290	0	37	-1.0	-50.50	321.44	2.07	-48.43
O=C([O-])C(NS(=O)(=O)N1CCC2(CC1)OCCO2)C1CC1	REAL300017295291	0	40	-1.0	-54.65	325.80	1.65	-53.00
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CN1C	REAL300017295292	0	36	-1.0	-55.44	321.61	3.65	-51.79
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295293	0	40	-1.0	-42.88	344.29	5.44	-37.44
O=C([O-])C(NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C1CC1	REAL300017295294	0	32	-1.0	-59.17	307.56	4.85	-54.32
O=C([O-])C(NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C1CC1	REAL300017295295	0	32	-1.0	-57.96	305.95	4.82	-53.14
O=C([O-])C(NS(=O)(=O)C1=C(F)C=CC=C1Cl)C1CC1	REAL300017295296	0	29	-1.0	-60.38	276.59	4.34	-56.04
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CN=C1Cl	REAL300017295297	0	32	-1.0	-48.52	302.83	1.56	-46.96
N#CC1=CC=C(F)C(CS(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295298	0	33	-1.0	-61.04	311.69	4.73	-56.31
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300017295299	0	34	-1.0	-43.77	316.86	2.55	-41.22
O=C([O-])C(NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C1CC1	REAL300017295300	0	28	-1.0	-45.01	281.58	3.05	-41.96
COC1=CC(C#N)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295301	0	34	-1.0	-55.34	312.13	3.82	-51.52
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295302	0	35	-1.0	-55.83	331.24	4.70	-51.13
O=C([O-])C(NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C1CC1	REAL300017295303	0	32	-1.0	-41.36	307.49	1.77	-39.59
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300017295304	0	35	-1.0	-44.99	315.15	1.35	-43.64
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295305	0	38	-1.0	-54.00	346.87	1.81	-52.19
CC(=O)NC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1F	REAL300017295306	0	36	-1.0	-50.37	328.12	2.73	-47.64
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C21	REAL300017295307	0	43	-1.0	-60.77	359.07	5.36	-55.41
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295308	0	35	-1.0	-39.58	316.00	5.55	-34.03
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295309	0	46	-1.0	-50.49	402.91	3.45	-47.04
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295310	0	39	-1.0	-65.57	349.87	0.89	-64.68
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2CC1	REAL300017295311	0	46	-1.0	-60.72	372.05	5.46	-55.26
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300017295312	0	38	-1.0	-46.09	351.04	5.19	-40.90
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295313	0	38	-1.0	-43.13	330.91	6.01	-37.12
O=C([O-])C(NS(=O)(=O)C1=CSC2=CC=CC=C21)C1CC1	REAL300017295314	0	32	-1.0	-45.48	300.95	5.03	-40.45
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C1CC1	REAL300017295315	0	32	-1.0	-41.48	303.42	5.64	-35.84
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295316	0	43	-1.0	-60.16	371.27	1.73	-58.43
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295317	0	42	-1.0	-65.14	367.90	5.00	-60.14
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1C	REAL300017295318	0	41	-1.0	-44.49	358.82	5.83	-38.66
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295319	0	41	-1.0	-48.10	364.94	6.09	-42.01
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1OC	REAL300017295320	0	40	-1.0	-50.36	359.43	3.49	-46.87
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(F)C=C1C	REAL300017295321	0	41	-1.0	-53.78	359.33	5.76	-48.02
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C1CC1	REAL300017295322	0	35	-1.0	-55.53	321.59	5.56	-49.97
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295323	0	38	-1.0	-45.61	340.77	5.21	-40.40
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C1CC1	REAL300017295324	0	39	-1.0	-49.01	340.32	7.14	-41.87
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295325	0	43	-1.0	-49.33	385.24	1.52	-47.81
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1Br)C1CC1	REAL300017295326	0	32	-1.0	-43.97	299.70	4.86	-39.11
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CN1C	REAL300017295327	0	41	-1.0	-53.68	362.46	4.76	-48.92
O=C([O-])C(NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C1CC1	REAL300017295328	0	33	-1.0	-58.84	305.80	4.47	-54.37
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C1CC1	REAL300017295329	0	32	-1.0	-43.64	294.02	4.49	-39.15
CC1=NC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295330	0	31	-1.0	-50.04	289.88	3.15	-46.89
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(Br)N1C	REAL300017295331	0	32	-1.0	-52.46	304.45	3.42	-49.04
O=C([O-])C(NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C1CC1	REAL300017295332	0	30	-1.0	-42.19	289.49	2.58	-39.61
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295333	0	42	-1.0	-62.16	354.02	4.43	-57.73
COC(=O)C1=CC(Br)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017295334	1	32	-1.0	-38.90	329.93	3.88	-35.02
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(F)=C1	REAL300017295335	0	35	-1.0	-45.46	318.37	4.28	-41.18
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295336	0	40	-1.0	-51.18	346.18	3.35	-47.83
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)OC(C)C	REAL300017295337	0	44	-1.0	-43.43	374.79	6.44	-36.99
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295338	0	41	-1.0	-51.30	365.49	2.83	-48.47
COCCOC1=C(Cl)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300017295339	0	40	-1.0	-51.00	382.82	4.31	-46.69
COC(=O)C1(CS(=O)(=O)NC(C(=O)[O-])C2CC2)CCCC1	REAL300017295340	0	41	-1.0	-44.10	338.46	4.77	-39.33
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295341	0	36	-1.0	-53.35	333.76	3.82	-49.53
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1C(F)(F)F	REAL300017295342	0	35	-1.0	-41.64	320.54	5.23	-36.41
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C1CC1	REAL300017295343	0	40	-1.0	-42.31	367.24	6.98	-35.33
COC(=O)CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295344	0	38	-1.0	-54.03	342.16	5.20	-48.83
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1Br)C1CC1	REAL300017295345	0	35	-1.0	-43.41	320.80	5.52	-37.89
COC(=O)C1(CS(=O)(=O)NC(C(=O)[O-])C2CC2)CCC1	REAL300017295346	0	38	-1.0	-44.03	327.54	4.09	-39.94
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C1CC1	REAL300017295347	0	29	-1.0	-51.71	293.03	3.77	-47.94
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1I	REAL300017295348	0	32	-1.0	-42.89	311.47	5.37	-37.52
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295349	0	42	-1.0	-56.47	371.80	3.96	-52.51
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295350	0	45	-1.0	-55.98	393.66	4.88	-51.10
COC(=O)C1(CS(=O)(=O)NC(C(=O)[O-])C2CC2)CCCCC1	REAL300017295351	0	44	-1.0	-44.18	351.65	5.18	-39.00
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295352	0	37	-1.0	-62.71	330.51	4.64	-58.07
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300017295353	1	31	-1.0	-62.78	290.18	2.62	-60.16
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC(C(=O)[O-])C1CC1)=C2	REAL300017295354	0	42	-1.0	-53.32	365.90	7.57	-45.75
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C1CC1	REAL300017295355	0	32	-1.0	-56.11	317.06	5.32	-50.79
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(F)=C1Br)C1CC1	REAL300017295356	0	32	-1.0	-56.05	305.77	4.86	-51.19
COC1=CC=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1F	REAL300017295357	0	33	-1.0	-62.32	307.12	3.73	-58.59
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295358	0	39	-1.0	-40.07	333.93	5.89	-34.18
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C1CC1	REAL300017295359	0	33	-1.0	-46.12	312.26	5.35	-40.77
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C(C(N)=O)O1	REAL300017295361	0	33	-1.0	-61.34	304.34	-0.80	-62.14
O=C([O-])C(NS(=O)(=O)CC1=NOC2=C1CCCC2)C1CC1	REAL300017295365	0	38	-1.0	-62.32	321.72	4.27	-58.05
O=C([O-])C(NS(=O)(=O)C1=CSC=C1C(F)F)C1CC1	REAL300017295366	0	29	-1.0	-59.15	276.42	3.89	-55.26
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC(F)=C1)C1CC1	REAL300017295367	0	35	-1.0	-56.53	313.42	5.17	-51.36
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295368	0	45	-1.0	-49.17	379.51	6.53	-42.64
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C1CC1	REAL300017295369	0	34	-1.0	-57.61	297.12	4.13	-53.48
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C21	REAL300017295370	0	49	-1.0	-57.60	392.74	6.18	-51.42
COC(=O)C1=CN(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295371	0	36	-1.0	-61.88	323.95	3.81	-58.07
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C21	REAL300017295372	0	43	-1.0	-45.81	361.66	3.81	-42.00
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C1CC1	REAL300017295373	0	44	-1.0	-57.51	372.54	6.27	-51.24
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C21	REAL300017295374	0	43	-1.0	-60.52	362.68	5.56	-54.96
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2)C=C1	REAL300017295375	0	44	-1.0	-47.05	395.00	7.59	-39.46
O=C([O-])C(NS(=O)(=O)C1=CC=NN1CC1CCC1)C1CC1	REAL300017295376	0	39	-1.0	-50.24	330.40	4.18	-46.06
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C1CC1	REAL300017295384	0	35	-1.0	-46.69	330.82	4.60	-42.09
O=C([O-])C(NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C1CC1	REAL300017295385	0	35	-1.0	-45.08	316.83	0.95	-44.13
O=C([O-])C(NS(=O)(=O)C1=C(Br)C=CO1)C1CC1	REAL300017295386	1	26	-1.0	-42.86	262.49	2.36	-40.50
COC1=C(F)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300017295387	0	33	-1.0	-49.32	305.58	3.09	-46.23
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300017295388	0	33	-1.0	-42.58	293.69	2.76	-39.82
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300017295389	0	54	-1.0	-43.42	436.32	8.22	-35.20
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300017295390	0	45	-1.0	-45.56	365.04	5.73	-39.83
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295391	0	39	-1.0	-45.51	337.41	5.04	-40.47
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300017295392	0	52	-1.0	-47.83	427.30	6.09	-41.74
CC1CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=C2O1	REAL300017295393	0	37	-1.0	-59.31	318.37	4.18	-55.13
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017295394	0	37	-1.0	-44.09	332.66	3.37	-40.72
N#CC1(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300017295395	0	37	-1.0	-56.63	328.01	5.75	-50.88
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295396	0	33	-1.0	-56.99	296.96	4.21	-52.78
CC1=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(C)S1	REAL300017295397	0	32	-1.0	-54.95	301.41	4.85	-50.10
CC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(Br)=C1	REAL300017295398	0	32	-1.0	-42.68	307.10	5.65	-37.03
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C21	REAL300017295399	0	46	-1.0	-60.33	374.76	5.77	-54.56
O=C([O-])C(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C1CC1	REAL300017295400	0	35	-1.0	-58.67	309.80	4.06	-54.61
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C21	REAL300017295401	0	43	-1.0	-58.90	365.67	5.35	-53.55
CN1N=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295402	0	29	-1.0	-42.24	285.94	1.82	-40.42
O=C([O-])C(NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C1CC1	REAL300017295403	0	31	-1.0	-39.41	295.73	2.78	-36.63
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295404	0	34	-1.0	-58.41	306.46	3.33	-55.08
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12)C1CC1	REAL300017295405	0	33	-1.0	-54.41	318.08	4.19	-50.22
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C1CC1	REAL300017295406	0	32	-1.0	-48.49	304.95	5.16	-43.33
O=C([O-])C(NS(=O)(=O)C1=CNC2=C(Br)C=CC=C12)C1CC1	REAL300017295407	0	33	-1.0	-53.90	315.97	4.15	-49.75
O=C([O-])C(NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C1CC1	REAL300017295408	0	32	-1.0	-66.15	305.86	3.29	-62.86
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=C1F	REAL300017295409	0	38	-1.0	-51.27	313.42	5.80	-45.47
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1OC	REAL300017295410	0	37	-1.0	-49.53	321.18	3.51	-46.02
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C1CC1	REAL300017295411	0	38	-1.0	-65.44	330.18	0.80	-64.64
N#CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Br	REAL300017295412	0	30	-1.0	-41.52	306.64	4.62	-36.90
COC1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1OC	REAL300017295413	0	37	-1.0	-59.85	317.80	3.82	-56.03
COC(=O)C1=C(Br)OC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295414	1	32	-1.0	-44.96	324.73	3.10	-41.86
O=C([O-])C(NS(=O)(=O)C1=CC=C(I)S1)C1CC1	REAL300017295415	0	26	-1.0	-52.01	280.61	3.76	-48.25
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C2CCCC2)=N1	REAL300017295416	0	42	-1.0	-47.54	350.16	4.54	-43.00
N#CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=CC=C2S1	REAL300017295417	0	33	-1.0	-56.22	310.78	5.46	-50.76
O=C([O-])C(NC(=O)CC1=C(Cl)C=CC=C1Cl)C1CC1	REAL300017295419	0	31	-1.0	-55.36	295.34	7.48	-47.88
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C1CC1	REAL300017295420	0	33	-1.0	-45.54	301.09	3.19	-42.35
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC=C(Br)C=C12)C1CC1	REAL300017295421	0	33	-1.0	-55.93	316.01	4.16	-51.77
O=C([O-])C(NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C1CC1	REAL300017295422	0	32	-1.0	-48.52	293.06	2.89	-45.63
CN1N=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=CC=C21	REAL300017295423	0	34	-1.0	-62.87	305.46	1.98	-60.89
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Br	REAL300017295425	0	35	-1.0	-55.90	316.12	5.57	-50.33
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C1CC1	REAL300017295426	0	35	-1.0	-39.61	326.14	4.65	-34.96
O=C([O-])C(NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C1CC1	REAL300017295427	0	32	-1.0	-54.42	296.82	4.01	-50.41
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C2CCC2)=N1	REAL300017295428	0	39	-1.0	-54.93	335.39	3.99	-50.94
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295429	0	47	-1.0	-57.81	373.10	7.52	-50.29
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1CC1	REAL300017295430	0	35	-1.0	-42.09	334.22	5.52	-36.57
O=C([O-])C(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C1CC1	REAL300017295431	0	39	-1.0	-52.50	334.42	4.19	-48.31
O=C([O-])C(NS(=O)(=O)C1=C(C2CC2)C=CS1)C1CC1	REAL300017295432	0	33	-1.0	-43.94	291.59	4.46	-39.48
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C1CC1	REAL300017295433	0	40	-1.0	-58.38	361.62	6.44	-51.94
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295434	0	42	-1.0	-51.51	355.90	2.12	-49.39
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300017295435	0	38	-1.0	-57.17	326.39	4.92	-52.25
COC(=O)C1=NN(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295436	0	35	-1.0	-53.92	317.95	2.01	-51.91
O=C([O-])C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1CC1	REAL300017295437	0	33	-1.0	-48.54	316.20	4.88	-43.66
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2C=C1	REAL300017295438	0	41	-1.0	-56.40	360.36	6.45	-49.95
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C1CC1	REAL300017295439	0	38	-1.0	-45.63	355.13	6.31	-39.32
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295440	0	38	-1.0	-51.70	309.24	3.61	-48.09
CC(C)(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300017295441	0	38	-1.0	-52.76	324.93	3.27	-49.49
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CN=C1C(F)(F)F	REAL300017295442	0	34	-1.0	-48.64	312.90	3.41	-45.23
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1CC1	REAL300017295443	0	32	-1.0	-49.85	304.88	4.60	-45.25
O=C([O-])C(NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C1CC1	REAL300017295444	0	29	-1.0	-41.13	280.86	4.08	-37.05
O=C([O-])C(NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C1CC1	REAL300017295445	0	29	-1.0	-37.87	293.60	3.73	-34.14
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C1CC1	REAL300017295446	0	32	-1.0	-39.32	318.02	5.15	-34.17
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C(F)F)C1CC1	REAL300017295447	0	32	-1.0	-45.83	280.23	5.01	-40.82
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295448	0	40	-1.0	-59.98	346.45	5.62	-54.36
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C1CC1	REAL300017295449	0	40	-1.0	-46.84	335.48	6.76	-40.08
CC1(C)OC(=O)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C21	REAL300017295450	0	39	-1.0	-55.84	340.03	5.23	-50.61
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1CC1	REAL300017295451	0	35	-1.0	-41.31	320.40	4.54	-36.77
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295452	0	34	-1.0	-38.93	304.48	4.25	-34.68
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295453	0	39	-1.0	-41.47	358.02	4.39	-37.08
O=C([O-])C(NS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1)C1CC1	REAL300017295454	0	38	-1.0	-57.24	340.25	3.70	-53.54
O=C([O-])C(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C1CC1	REAL300017295455	0	29	-1.0	-41.60	279.83	3.96	-37.64
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C1CC1	REAL300017295456	0	32	-1.0	-41.61	293.07	5.19	-36.42
COC(=O)C1=C(C)SC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295457	0	35	-1.0	-42.41	328.97	4.02	-38.39
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C1CC1	REAL300017295458	0	36	-1.0	-45.82	313.37	5.74	-40.08
O=C([O-])C(NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C1CC1	REAL300017295459	0	31	-1.0	-50.33	314.67	3.80	-46.53
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1CCCC1)C1CC1	REAL300017295460	0	39	-1.0	-51.08	327.54	4.22	-46.86
CCC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295461	0	38	-1.0	-43.30	315.64	3.33	-39.97
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295462	0	38	-1.0	-48.23	333.07	1.12	-47.11
CS(=O)(=O)C1=CSC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295463	0	32	-1.0	-60.27	316.61	0.12	-60.15
CN(C1CCCCCC1)S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295464	0	43	-1.0	-56.07	327.80	4.35	-51.72
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295465	0	33	-1.0	-38.20	289.53	3.79	-34.41
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C2CCOCC2)=N1	REAL300017295466	0	43	-1.0	-54.39	359.39	2.72	-51.67
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295467	0	35	-1.0	-42.52	319.35	5.25	-37.27
O=C([O-])C(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C1CC1	REAL300017295468	0	33	-1.0	-54.69	301.13	3.17	-51.52
O=C([O-])C(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C1CC1	REAL300017295469	0	44	-1.0	-54.85	355.16	6.19	-48.66
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300017295470	0	40	-1.0	-63.19	328.74	5.69	-57.50
O=C([O-])C(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C1CC1	REAL300017295471	0	37	-1.0	-54.36	315.20	3.64	-50.72
CCOCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295472	0	39	-1.0	-49.74	343.05	4.42	-45.32
O=C([O-])C(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C1CC1	REAL300017295473	0	32	-1.0	-55.13	321.71	5.63	-49.50
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295476	0	39	-1.0	-48.01	343.66	4.89	-43.12
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C1CC1	REAL300017295477	0	42	-1.0	-54.65	346.95	4.50	-50.15
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1CC1	REAL300017295478	0	40	-1.0	-44.17	350.53	6.47	-37.70
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(C)=C1Br	REAL300017295479	0	35	-1.0	-51.69	317.43	5.29	-46.40
CCN1N=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1Cl	REAL300017295480	0	32	-1.0	-52.56	302.70	2.51	-50.05
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC=C1Br)C1CC1	REAL300017295481	0	33	-1.0	-45.99	316.28	5.43	-40.56
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC(C(=O)[O-])C1CC1)=C2	REAL300017295482	0	35	-1.0	-53.41	347.54	4.85	-48.56
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C1CC1	REAL300017295484	0	31	-1.0	-49.06	304.08	2.90	-46.16
O=C([O-])C(NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C1CC1	REAL300017295485	0	34	-1.0	-47.56	317.49	4.79	-42.77
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C1CC1	REAL300017295486	0	34	-1.0	-58.75	316.23	4.64	-54.11
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300017295487	0	38	-1.0	-59.10	321.83	6.53	-52.57
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295488	0	33	-1.0	-62.37	310.09	4.51	-57.86
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCCF)C=C1)C1CC1	REAL300017295489	0	36	-1.0	-46.36	319.76	3.98	-42.38
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C21	REAL300017295490	0	43	-1.0	-53.73	363.88	5.02	-48.71
O=C([O-])C(NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C1CC1	REAL300017295491	0	29	-1.0	-44.86	281.15	3.93	-40.93
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)O1	REAL300017295492	0	35	-1.0	-59.99	329.74	0.02	-59.97
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C2=CC=CC=C2)=N1	REAL300017295493	0	39	-1.0	-56.43	336.97	5.09	-51.34
O=C([O-])C(NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C1CC1	REAL300017295494	0	35	-1.0	-46.24	330.81	1.72	-44.52
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C1CC1	REAL300017295495	0	33	-1.0	-53.56	314.15	5.38	-48.18
O=C([O-])C(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C1CC1	REAL300017295496	0	33	-1.0	-45.13	319.31	5.53	-39.60
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)S1)C1CC1	REAL300017295497	0	33	-1.0	-55.47	304.24	4.89	-50.58
COC(=O)C1CCCCN1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295498	0	40	-1.0	-43.03	330.24	4.52	-38.51
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C21	REAL300017295499	0	51	-1.0	-46.25	391.44	7.79	-38.46
N#CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017295500	0	32	-1.0	-44.56	311.57	4.53	-40.03
COC1=CC=C(C=C(C)S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295501	0	40	-1.0	-43.77	331.74	4.44	-39.33
COC(=O)C=CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295502	0	39	-1.0	-46.06	352.77	5.62	-40.44
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=NN1	REAL300017295503	0	35	-1.0	-45.29	320.95	1.75	-43.54
COC1=CSC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1OC	REAL300017295504	0	34	-1.0	-58.13	310.82	1.47	-56.66
O=C([O-])C(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C1CC1	REAL300017295505	0	41	-1.0	-55.08	321.03	4.01	-51.07
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295506	0	40	-1.0	-54.46	338.71	5.40	-49.06
O=C([O-])C(NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C1CC1	REAL300017295507	0	40	-1.0	-58.20	338.96	10.58	-47.62
O=C([O-])C(NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C1CC1	REAL300017295508	0	46	-1.0	-57.60	356.28	9.97	-47.63
CC(C)(C)OC(=O)N1CCN(C(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300017295509	0	47	-1.0	-56.82	366.39	6.57	-50.25
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NC(C(=O)[O-])C1CC1	REAL300017295510	0	48	-1.0	-60.90	376.99	7.04	-53.86
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295511	0	33	-1.0	-56.35	311.15	4.79	-51.56
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C1CC1	REAL300017295512	0	33	-1.0	-45.69	312.20	4.48	-41.21
O=C([O-])C(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C1CC1	REAL300017295513	0	33	-1.0	-47.00	311.61	3.36	-43.64
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295514	0	35	-1.0	-54.08	306.06	3.53	-50.55
CN1C=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C21	REAL300017295515	0	36	-1.0	-58.03	313.41	5.30	-52.73
O=C([O-])C(NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C1CC1	REAL300017295516	0	32	-1.0	-45.16	290.82	5.10	-40.06
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C1CC1	REAL300017295517	0	38	-1.0	-53.57	340.73	4.06	-49.51
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C1CC1	REAL300017295518	0	26	-1.0	-38.57	291.19	3.82	-34.75
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295519	0	42	-1.0	-51.47	354.24	5.98	-45.49
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC2=C1N(C)C(=O)C2(C)C	REAL300017295520	0	46	-1.0	-43.27	380.28	5.52	-37.75
O=C([O-])C(NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C1CC1	REAL300017295521	0	32	-1.0	-53.39	314.48	4.90	-48.49
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C1CC1	REAL300017295522	0	34	-1.0	-42.54	313.31	4.26	-38.28
COC(=O)[C@@H]1CCCN1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295523	0	37	-1.0	-57.39	310.91	2.92	-54.47
O=C([O-])C(NS(=O)(=O)C1=C(I)C=CS1)C1CC1	REAL300017295524	0	26	-1.0	-36.90	271.84	3.39	-33.51
O=C([O-])C(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1CC1	REAL300017295525	0	40	-1.0	-59.23	352.27	6.50	-52.73
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295526	0	35	-1.0	-46.91	296.99	5.53	-41.38
O=C([O-])C(NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C1CC1	REAL300017295527	0	34	-1.0	-52.98	314.68	2.12	-50.86
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C1CC1	REAL300017295528	0	30	-1.0	-44.30	293.09	2.60	-41.70
CC1=CC(Cl)=NC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295529	0	31	-1.0	-53.26	290.15	3.15	-50.11
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295530	0	40	-1.0	-55.48	345.55	5.21	-50.27
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C2CC2)=N1	REAL300017295531	0	39	-1.0	-48.43	342.35	4.39	-44.04
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=NSN=C2C=C1	REAL300017295532	0	33	-1.0	-64.83	298.97	2.98	-61.85
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C1CC1	REAL300017295533	0	35	-1.0	-53.76	322.33	6.31	-47.45
CC(=O)OC1CCN(S(=O)(=O)NC(C(=O)[O-])C2CC2)C1	REAL300017295534	0	37	-1.0	-43.28	322.80	2.88	-40.40
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C1CC1	REAL300017295535	0	39	-1.0	-53.31	350.66	7.47	-45.84
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Br	REAL300017295536	0	35	-1.0	-40.94	320.90	5.49	-35.45
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295537	0	42	-1.0	-52.59	342.93	4.42	-48.17
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295538	0	43	-1.0	-60.70	367.92	3.92	-56.78
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C1CC1	REAL300017295539	0	35	-1.0	-55.77	321.91	6.49	-49.28
CN1N=C2CCOCC2=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295540	0	37	-1.0	-48.76	314.97	1.36	-47.40
O=C([O-])C(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C1CC1	REAL300017295541	0	35	-1.0	-53.79	324.59	3.37	-50.42
CC(=O)OCC1CCN(S(=O)(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300017295542	0	43	-1.0	-58.06	354.91	4.31	-53.75
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295543	0	43	-1.0	-64.31	373.74	4.26	-60.05
O=C([O-])C(NS(=O)(=O)N1CCN(CC(F)F)CC1)C1CC1	REAL300017295544	0	39	-1.0	-57.87	315.71	0.85	-57.02
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=N1	REAL300017295545	0	35	-1.0	-51.66	303.02	1.16	-50.50
COC1=NC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295546	0	35	-1.0	-56.23	310.50	1.43	-54.80
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C1CC1	REAL300017295547	0	44	-1.0	-44.27	363.73	4.00	-40.27
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295548	0	32	-1.0	-52.65	303.65	1.25	-51.40
COC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300017295549	0	35	-1.0	-51.62	309.24	1.01	-50.61
CC(C)CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300017295550	0	38	-1.0	-57.09	330.07	3.70	-53.39
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295551	0	38	-1.0	-54.14	328.86	3.31	-50.83
O=C([O-])C(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C1CC1	REAL300017295552	0	28	-1.0	-42.43	293.45	1.70	-40.73
O=C([O-])C(NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C1CC1	REAL300017295553	0	33	-1.0	-40.30	324.72	5.76	-34.54
COC(=O)C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300017295554	0	37	-1.0	-50.70	328.74	2.97	-47.73
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295555	0	32	-1.0	-59.54	301.18	5.52	-54.02
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C1CC1	REAL300017295556	0	36	-1.0	-51.94	315.58	4.83	-47.11
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=NN1C(C)C	REAL300017295557	0	38	-1.0	-58.22	324.14	3.39	-54.83
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C1CC1	REAL300017295558	0	36	-1.0	-58.77	319.57	5.75	-53.02
O=C([O-])C(NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C1CC1	REAL300017295559	0	31	-1.0	-45.22	291.09	2.73	-42.49
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295560	0	43	-1.0	-44.70	371.41	7.18	-37.52
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C1CC1	REAL300017295561	0	36	-1.0	-47.21	323.33	5.85	-41.36
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C12)C1CC1	REAL300017295562	0	33	-1.0	-54.39	313.51	4.08	-50.31
O=C([O-])C(NC(=O)N1CC=C(Br)CC1)C1CC1	REAL300017295563	0	31	-1.0	-54.03	273.50	6.31	-47.72
O=C([O-])C(NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C1CC1	REAL300017295564	0	32	-1.0	-47.76	298.32	4.57	-43.19
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295565	0	37	-1.0	-42.37	313.90	-0.67	-43.04
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C1CC1	REAL300017295567	0	36	-1.0	-61.74	318.71	6.03	-55.71
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(Cl)=C1Cl	REAL300017295568	0	32	-1.0	-51.57	311.59	5.28	-46.29
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C1CC1	REAL300017295569	0	33	-1.0	-40.69	309.60	3.41	-37.28
O=C([O-])C(NS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1CC1	REAL300017295570	0	36	-1.0	-56.57	324.34	4.46	-52.11
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C(F)F)=C1	REAL300017295571	0	36	-1.0	-57.70	310.74	3.55	-54.15
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295572	0	35	-1.0	-53.11	327.93	1.75	-51.36
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300017295573	0	37	-1.0	-54.14	320.43	4.85	-49.29
O=C([O-])C(NC(=O)N1CC(OCC2=CC=CC=C2)C1)C1CC1	REAL300017295574	0	41	-1.0	-59.36	345.89	7.09	-52.27
CC(C)(C)OC(=O)NC1CN(C(=O)NC(C(=O)[O-])C2CC2)C1	REAL300017295575	0	44	-1.0	-57.31	360.23	3.84	-53.47
O=C([O-])C(NS(=O)(=O)N1CC=C(Br)CC1)C1CC1	REAL300017295576	0	32	-1.0	-39.40	296.35	3.42	-35.98
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295578	0	42	-1.0	-46.58	347.33	5.62	-40.96
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C(Cl)S1	REAL300017295579	0	29	-1.0	-54.19	288.78	4.09	-50.10
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C1CC1	REAL300017295580	0	36	-1.0	-53.91	333.27	4.54	-49.37
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)N=C2)CC1	REAL300017295581	0	44	-1.0	-56.17	339.70	4.68	-51.49
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295583	0	47	-1.0	-53.98	356.37	7.64	-46.34
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(Cl)=C2)CC1	REAL300017295584	0	44	-1.0	-47.02	358.57	7.53	-39.49
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2C#N)CC1	REAL300017295599	0	48	-1.0	-62.06	377.07	7.92	-54.14
CC1=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300017295600	0	52	-1.0	-51.99	396.57	8.67	-43.32
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1C	REAL300017295601	0	52	-1.0	-48.38	385.33	8.50	-39.88
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)CC1	REAL300017295602	0	50	-1.0	-52.08	379.91	6.10	-45.98
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC=C2)CC1	REAL300017295603	0	48	-1.0	-54.33	367.55	8.17	-46.16
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)C(=O)N(C)C2=O)CC1	REAL300017295604	0	50	-1.0	-60.45	380.98	5.73	-54.72
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295605	0	50	-1.0	-52.69	370.15	5.94	-46.75
CC1=NNC(C)=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295606	0	47	-1.0	-53.83	349.49	4.76	-49.07
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)OC3=C2)CC1	REAL300017295607	0	47	-1.0	-57.59	366.71	4.47	-53.12
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2)CC1	REAL300017295608	0	47	-1.0	-60.34	359.47	7.64	-52.70
COC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295609	0	48	-1.0	-53.96	365.12	6.28	-47.68
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300017295610	0	46	-1.0	-51.52	348.37	8.51	-43.01
CCOC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295611	0	51	-1.0	-53.82	386.32	7.19	-46.63
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C=C2F)CC1	REAL300017295612	0	44	-1.0	-48.62	342.73	6.92	-41.70
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C=C2)CC1	REAL300017295613	0	44	-1.0	-52.29	342.04	7.05	-45.24
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(F)=C2)CC1	REAL300017295614	0	44	-1.0	-48.94	341.80	7.01	-41.93
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1C	REAL300017295615	0	56	-1.0	-48.74	388.25	9.32	-39.42
CC1=CC(C)=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(C)=C1	REAL300017295616	0	53	-1.0	-52.64	378.79	9.02	-43.62
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295617	0	59	-1.0	-47.99	416.14	9.61	-38.38
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300017295618	0	44	-1.0	-47.76	367.34	7.92	-39.84
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(F)=C2)CC1	REAL300017295619	0	44	-1.0	-48.81	348.13	7.06	-41.75
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2Cl)CC1	REAL300017295620	0	44	-1.0	-47.08	355.69	7.62	-39.46
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300017295621	0	47	-1.0	-48.90	374.50	7.96	-40.94
CC1=CC=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295622	0	47	-1.0	-48.93	356.84	7.61	-41.32
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC1	REAL300017295623	0	47	-1.0	-47.15	356.68	8.18	-38.97
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2F)CC1	REAL300017295624	0	44	-1.0	-50.71	336.26	6.84	-43.87
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2)CC1	REAL300017295625	0	44	-1.0	-48.33	352.12	7.46	-40.87
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295626	0	49	-1.0	-58.61	378.45	7.41	-51.20
CC1=CC=C(C)C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295627	0	50	-1.0	-48.24	361.31	7.95	-40.29
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1C	REAL300017295628	0	50	-1.0	-54.13	373.39	8.17	-45.96
C=CCCCS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295629	0	47	-1.0	-59.55	355.37	6.75	-52.80
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C(F)=C2)CC1	REAL300017295630	0	45	-1.0	-50.00	362.13	7.38	-42.62
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCOCC2)CC1	REAL300017295631	0	54	-1.0	-59.03	392.82	6.27	-52.76
CC1=CC(C)=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)S1	REAL300017295632	0	47	-1.0	-53.86	366.43	7.49	-46.37
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CC1	REAL300017295633	0	53	-1.0	-53.15	400.23	8.55	-44.60
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(C(F)F)C=C2)CC1	REAL300017295634	0	50	-1.0	-61.14	392.89	8.61	-52.53
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)CC1	REAL300017295635	0	47	-1.0	-56.23	363.26	5.39	-50.84
CC1=CC=CC(C)=C1CS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295636	0	53	-1.0	-57.66	389.53	8.93	-48.73
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CS2)CC1	REAL300017295637	0	41	-1.0	-49.05	332.06	6.06	-42.99
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCOC2)CC1	REAL300017295638	0	51	-1.0	-58.78	376.09	5.53	-53.25
COC(CS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300017295639	0	54	-1.0	-62.71	398.60	8.17	-54.54
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCCC2(F)F)CC1	REAL300017295640	0	53	-1.0	-55.19	387.21	8.16	-47.03
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2=CC=CC=C2)CC1	REAL300017295641	0	54	-1.0	-58.62	414.99	7.71	-50.91
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CC(F)(F)C2)CC1	REAL300017295642	0	47	-1.0	-60.32	360.42	6.93	-53.39
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)CC1	REAL300017295643	0	51	-1.0	-53.50	384.37	9.07	-44.43
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3CC3)C=C2)CC1	REAL300017295644	0	52	-1.0	-54.39	396.59	7.99	-46.40
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2)CC1	REAL300017295645	0	44	-1.0	-48.07	358.02	7.51	-40.56
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295646	0	49	-1.0	-55.02	376.66	7.34	-47.68
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(C)=C1	REAL300017295647	0	50	-1.0	-54.36	366.47	8.16	-46.20
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2Cl)CC1	REAL300017295648	0	44	-1.0	-53.38	357.16	7.69	-45.69
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300017295649	0	56	-1.0	-53.30	411.17	9.29	-44.01
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(C)C)C=C2)CC1	REAL300017295650	0	53	-1.0	-54.90	395.93	8.85	-46.05
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295651	0	56	-1.0	-53.29	413.83	9.56	-43.73
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC=C2Cl)CC1	REAL300017295652	0	44	-1.0	-54.71	356.00	8.20	-46.51
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)S2)CC1	REAL300017295653	0	41	-1.0	-46.91	344.42	6.57	-40.34
CCCC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295654	0	53	-1.0	-53.55	399.36	9.19	-44.36
COC1=CC=CC=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295655	0	48	-1.0	-56.56	359.53	6.77	-49.79
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(F)=C2F)CC1	REAL300017295656	0	44	-1.0	-51.57	348.78	6.96	-44.61
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300017295657	0	44	-1.0	-50.79	368.52	8.01	-42.78
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2Cl)CC1	REAL300017295658	0	44	-1.0	-49.58	339.07	7.13	-42.45
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1	REAL300017295659	0	44	-1.0	-57.50	343.66	7.24	-50.26
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)N=C2)CC1	REAL300017295660	0	43	-1.0	-53.46	344.75	5.45	-48.01
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C#N)=C2)CC1	REAL300017295661	0	45	-1.0	-50.38	356.27	7.33	-43.05
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C=C2)CC1	REAL300017295662	0	45	-1.0	-54.82	355.97	7.36	-47.46
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2F)CC1	REAL300017295663	0	44	-1.0	-48.47	353.08	7.37	-41.10
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C#N)CC1	REAL300017295664	0	45	-1.0	-53.07	341.07	6.79	-46.28
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(C)=C1C	REAL300017295665	0	59	-1.0	-49.57	400.85	9.75	-39.82
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)CC1	REAL300017295666	0	53	-1.0	-54.66	398.00	6.92	-47.74
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017295667	0	49	-1.0	-56.36	379.65	8.19	-48.17
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300017295668	0	47	-1.0	-52.36	373.88	7.97	-44.39
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)CC1	REAL300017295669	0	54	-1.0	-49.45	398.15	9.43	-40.02
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295670	0	52	-1.0	-51.17	387.45	6.11	-45.06
COC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1OC	REAL300017295671	0	52	-1.0	-55.27	393.69	6.16	-49.11
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)CC1	REAL300017295672	0	51	-1.0	-53.95	380.66	8.88	-45.07
CC1=NOC(C)=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295673	0	46	-1.0	-51.71	347.39	5.90	-45.81
COC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(OC)=C1	REAL300017295674	0	52	-1.0	-51.21	387.43	6.12	-45.09
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)CC1	REAL300017295675	0	52	-1.0	-55.79	390.23	9.33	-46.46
CCC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295676	0	50	-1.0	-53.77	377.86	8.41	-45.36
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2F)CC1	REAL300017295677	0	44	-1.0	-48.05	342.78	6.92	-41.13
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295678	0	51	-1.0	-50.26	379.42	7.48	-42.78
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)CC1	REAL300017295679	0	52	-1.0	-56.88	394.97	6.14	-50.74
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)CC1	REAL300017295680	0	48	-1.0	-52.39	371.17	3.76	-48.63
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)CC1	REAL300017295681	0	49	-1.0	-56.53	377.08	5.45	-51.08
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300017295682	0	44	-1.0	-53.77	352.43	7.44	-46.33
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300017295683	0	46	-1.0	-54.89	363.92	7.59	-47.30
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC1	REAL300017295684	0	50	-1.0	-56.22	381.65	9.21	-47.01
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300017295685	0	44	-1.0	-54.25	335.15	6.97	-47.28
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295686	0	51	-1.0	-60.43	391.11	5.86	-54.57
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300017295687	0	46	-1.0	-51.83	363.66	7.61	-44.22
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295688	0	49	-1.0	-48.63	368.15	7.96	-40.67
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CS2)CC1	REAL300017295689	0	41	-1.0	-53.70	327.08	5.97	-47.73
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300017295690	0	47	-1.0	-51.10	371.61	7.41	-43.69
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)CC1	REAL300017295691	0	47	-1.0	-56.99	362.78	7.28	-49.71
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCC2)CC1	REAL300017295692	0	53	-1.0	-57.34	385.24	8.09	-49.25
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCCC2)CC1	REAL300017295693	0	56	-1.0	-57.04	401.69	8.67	-48.37
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNN=C2Cl)CC1	REAL300017295694	0	41	-1.0	-52.94	326.67	3.49	-49.45
CC1=CC2=CC=C(S(=O)(=O)N3CCC(CC(C)C)(C(=O)[O-])CC3)C=C2C=C1	REAL300017295695	0	53	-1.0	-55.97	403.00	9.85	-46.12
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CS2)CC1	REAL300017295696	0	41	-1.0	-47.69	339.49	6.55	-41.14
CC1=CSC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295697	0	44	-1.0	-48.10	349.02	6.61	-41.49
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=C(F)C=CC=C2Cl)CC1	REAL300017295698	0	47	-1.0	-59.08	375.54	8.02	-51.06
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)CC1	REAL300017295699	0	50	-1.0	-52.93	381.06	9.10	-43.83
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCOC3=C2)CC1	REAL300017295700	0	49	-1.0	-56.77	368.70	6.65	-50.12
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295701	0	52	-1.0	-52.16	384.10	8.45	-43.71
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CC1	REAL300017295702	0	51	-1.0	-58.33	391.63	6.74	-51.59
COC1=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=CC=C1Cl	REAL300017295703	0	48	-1.0	-52.65	380.67	6.82	-45.83
CC1=CC=CC(Cl)=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295704	0	47	-1.0	-54.18	355.65	8.22	-45.96
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CC1	REAL300017295705	0	51	-1.0	-56.95	385.67	9.10	-47.85
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CCCC2)CC1	REAL300017295706	0	57	-1.0	-55.43	420.38	7.44	-47.99
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCC3)CC1	REAL300017295707	0	49	-1.0	-50.97	367.85	6.82	-44.15
CC1=CC(F)=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(F)=C1	REAL300017295708	0	47	-1.0	-56.30	364.90	7.91	-48.39
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CC2)CC1	REAL300017295709	0	51	-1.0	-55.91	386.02	6.27	-49.64
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(C#N)C=C2)CC1	REAL300017295710	0	48	-1.0	-61.41	379.76	8.09	-53.32
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)CC1	REAL300017295711	0	54	-1.0	-58.58	406.08	6.83	-51.75
COC1=CC=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295712	0	48	-1.0	-50.72	364.93	6.24	-44.48
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)CC1	REAL300017295713	0	47	-1.0	-59.02	375.46	8.20	-50.82
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2F)CC1	REAL300017295714	0	44	-1.0	-47.85	353.08	7.37	-40.48
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295715	0	48	-1.0	-48.84	364.39	6.88	-41.96
CCC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017295716	0	52	-1.0	-52.35	397.82	8.77	-43.58
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)CC1	REAL300017295717	0	49	-1.0	-49.65	365.40	7.52	-42.13
CC(=O)NC1=NC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)S1	REAL300017295718	0	47	-1.0	-60.52	380.12	4.45	-56.07
COC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=N1	REAL300017295719	0	47	-1.0	-53.98	360.07	3.50	-50.48
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)O1	REAL300017295720	0	44	-1.0	-50.64	339.99	5.76	-44.88
C=C(C)CS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295721	0	44	-1.0	-57.15	333.82	5.90	-51.25
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)C(C)C3=C2)CC1	REAL300017295723	0	52	-1.0	-55.84	398.01	6.04	-49.80
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)CC1	REAL300017295724	0	50	-1.0	-50.93	386.16	4.18	-46.75
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295725	0	59	-1.0	-53.54	438.43	10.48	-43.06
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)CC1	REAL300017295726	0	49	-1.0	-55.37	368.81	6.67	-48.70
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=C2)CC(=O)N3C)CC1	REAL300017295727	0	52	-1.0	-56.66	398.27	7.43	-49.23
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)CC1	REAL300017295728	0	49	-1.0	-57.69	383.46	8.48	-49.21
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=C2)OC(=O)N3C)CC1	REAL300017295729	0	50	-1.0	-58.74	389.28	6.92	-51.82
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(F)=C2)CC1	REAL300017295730	0	44	-1.0	-51.17	347.88	7.12	-44.05
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)S1	REAL300017295731	0	44	-1.0	-48.53	349.25	6.75	-41.78
CCCCS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295732	0	46	-1.0	-57.25	342.48	6.24	-51.01
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295733	0	54	-1.0	-55.95	395.69	6.16	-49.79
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295734	0	50	-1.0	-54.61	390.40	7.65	-46.96
CNC(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295735	0	51	-1.0	-58.05	391.41	5.24	-52.81
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(N)=O)C=C2)CC1	REAL300017295736	0	48	-1.0	-58.16	369.48	3.75	-54.41
CCN(CC)S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295737	0	48	-1.0	-55.42	352.88	5.76	-49.66
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)S1	REAL300017295738	0	47	-1.0	-49.68	383.32	6.70	-42.98
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCCCC2)CC1	REAL300017295739	0	52	-1.0	-45.47	363.85	6.82	-38.65
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295740	0	50	-1.0	-55.41	385.13	5.39	-50.02
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CN=C2Cl)CC1	REAL300017295741	0	43	-1.0	-54.41	337.13	5.37	-49.04
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(CC(C)C)(C(=O)[O-])CC3)=C2N=C1	REAL300017295742	0	52	-1.0	-54.71	390.79	8.68	-46.03
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295743	0	48	-1.0	-48.44	374.71	7.33	-41.11
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300017295744	0	49	-1.0	-62.21	387.13	8.36	-53.85
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCOCC2)CC1	REAL300017295745	0	47	-1.0	-55.51	345.84	3.71	-51.80
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(F)C=C2)CC1	REAL300017295746	0	47	-1.0	-59.11	365.14	7.75	-51.36
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(Cl)=C1	REAL300017295747	0	47	-1.0	-53.76	363.44	7.90	-45.86
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCCC2)CC1	REAL300017295748	0	49	-1.0	-46.10	344.79	5.74	-40.36
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCC2)CC1	REAL300017295749	0	46	-1.0	-46.27	335.85	5.09	-41.18
CC1=CC(F)=CC=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295750	0	47	-1.0	-52.40	350.05	7.53	-44.87
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)CC1	REAL300017295751	0	53	-1.0	-49.65	393.16	8.23	-41.42
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C2=CC=CN=C12	REAL300017295752	0	52	-1.0	-54.91	385.14	7.89	-47.02
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1C	REAL300017295753	0	52	-1.0	-67.20	393.78	10.01	-57.19
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C)CC2)CC1	REAL300017295754	0	52	-1.0	-46.09	375.34	6.76	-39.33
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C=C2Cl)CC1	REAL300017295755	0	44	-1.0	-51.38	348.42	7.30	-44.08
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2C#N)CC1	REAL300017295756	0	45	-1.0	-49.60	357.95	7.31	-42.29
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N2CC(C)CC(C)C2)CC1	REAL300017295757	0	55	-1.0	-47.76	392.20	7.47	-40.29
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295758	0	53	-1.0	-52.77	412.09	8.52	-44.25
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCCS(C)(=O)=O)CC1	REAL300017295759	0	49	-1.0	-72.07	384.62	3.01	-69.06
COC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(C)=C1C	REAL300017295760	0	54	-1.0	-49.62	385.26	7.21	-42.41
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)CC1	REAL300017295761	0	49	-1.0	-57.37	376.68	7.31	-50.06
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295762	0	48	-1.0	-49.18	373.03	7.40	-41.78
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295763	0	48	-1.0	-48.10	360.53	7.65	-40.45
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C=C2F)CC1	REAL300017295764	0	45	-1.0	-49.89	357.05	7.25	-42.64
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1C	REAL300017295765	0	53	-1.0	-50.31	406.15	8.14	-42.17
COC(=O)CCN(C)S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295766	0	51	-1.0	-57.55	386.63	5.72	-51.83
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C2CCOCC2)CC1	REAL300017295767	0	53	-1.0	-53.77	382.63	5.05	-48.72
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N2CC3CCC2C3)CC1	REAL300017295768	0	50	-1.0	-56.55	363.18	6.45	-50.10
CCN1N=C(C)C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1C	REAL300017295769	0	53	-1.0	-54.86	391.43	6.81	-48.05
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C(C)C)N=C2)CC1	REAL300017295770	0	50	-1.0	-52.04	380.20	6.04	-46.00
CC(C)CN1C=NC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295771	0	53	-1.0	-53.68	399.97	7.92	-45.76
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C(C)C)C=N2)CC1	REAL300017295772	0	50	-1.0	-54.39	380.87	7.34	-47.05
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC(C(C)C)=N2)CC1	REAL300017295773	0	50	-1.0	-53.37	375.75	5.21	-48.16
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C(C)(C)C)CC1	REAL300017295774	0	56	-1.0	-47.98	384.38	9.63	-38.35
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2(C)CC2)CC1	REAL300017295775	0	44	-1.0	-56.54	324.68	6.35	-50.19
CC1=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(N)=NO1	REAL300017295776	0	45	-1.0	-51.88	341.59	4.36	-47.52
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCCOCC2=CC=CC=C2)CC1	REAL300017295777	0	57	-1.0	-62.77	436.49	8.49	-54.28
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)CC1	REAL300017295778	0	48	-1.0	-60.48	365.52	6.72	-53.76
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)CC1	REAL300017295779	0	46	-1.0	-53.14	362.84	6.66	-46.48
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=N1	REAL300017295780	0	46	-1.0	-54.92	349.49	5.64	-49.28
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC1	REAL300017295781	0	44	-1.0	-55.00	356.12	7.79	-47.21
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(Cl)=N1	REAL300017295782	0	46	-1.0	-54.19	357.46	5.91	-48.28
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(F)C=C2C#N)CC1	REAL300017295783	0	48	-1.0	-60.95	383.64	7.98	-52.97
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(Cl)C(F)=C2)CC1	REAL300017295784	0	43	-1.0	-48.48	353.13	5.63	-42.85
COC1=NC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1Cl	REAL300017295785	0	47	-1.0	-49.51	378.68	4.17	-45.34
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC(C)(C)C)CC1	REAL300017295786	0	49	-1.0	-56.99	350.21	6.88	-50.11
CC1=CC(C)=CC(CS(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295787	0	53	-1.0	-60.42	402.29	8.98	-51.44
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295788	0	55	-1.0	-50.78	413.05	6.53	-44.25
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295789	0	54	-1.0	-65.12	415.38	5.97	-59.15
CC1=CC(F)=CC=C1CS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295790	0	50	-1.0	-58.49	380.91	8.33	-50.16
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2CCOC(C)C2)CC1	REAL300017295791	0	51	-1.0	-59.04	361.05	5.19	-53.85
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC(C)COC2CCCC2)CC1	REAL300017295792	0	60	-1.0	-58.49	436.20	8.36	-50.13
CCOCC(C)CS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295793	0	53	-1.0	-58.57	391.51	6.28	-52.29
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C(C)CC#N)CC1	REAL300017295794	0	49	-1.0	-67.65	371.47	6.06	-61.59
COCCN(CCC#N)S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295795	0	53	-1.0	-56.29	400.27	5.50	-50.79
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CC1	REAL300017295796	0	44	-1.0	-47.08	356.46	7.34	-39.74
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)CC1	REAL300017295797	0	49	-1.0	-53.71	376.57	7.31	-46.40
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(F)=C2F)CC1	REAL300017295798	0	47	-1.0	-61.67	370.52	7.79	-53.88
CCN(CC(C)C#N)S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295799	0	52	-1.0	-56.12	381.51	6.94	-49.18
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N(C)CC(C)C#N)CC1	REAL300017295800	0	49	-1.0	-57.54	368.75	5.90	-51.64
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CS2)CC1	REAL300017295801	0	47	-1.0	-56.96	370.45	7.56	-49.40
CC1=CC=C(CS(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1C	REAL300017295802	0	53	-1.0	-49.18	397.65	8.89	-40.29
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)CC1	REAL300017295803	0	55	-1.0	-59.39	416.30	8.31	-51.08
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2(CC#N)CC2)CC1	REAL300017295804	0	48	-1.0	-52.52	368.80	7.19	-45.33
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=NN2C)CC1	REAL300017295805	0	43	-1.0	-53.72	330.99	3.33	-50.39
CC1=CC=C(CS(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(F)=C1	REAL300017295806	0	50	-1.0	-59.57	385.46	8.40	-51.17
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C(C)C(=O)N(C)C)CC1	REAL300017295807	0	50	-1.0	-67.00	368.30	5.22	-61.78
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)CC1	REAL300017295808	0	57	-1.0	-61.12	424.46	10.22	-50.90
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)CC1	REAL300017295809	0	55	-1.0	-61.41	414.77	7.56	-53.85
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCC2)CC1	REAL300017295810	0	50	-1.0	-46.96	369.06	7.52	-39.44
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCCC(C)(C)C)CC1	REAL300017295811	0	55	-1.0	-57.43	397.22	7.92	-49.51
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)CC1	REAL300017295812	0	53	-1.0	-71.70	392.86	3.97	-67.73
CC1=C(CCS(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)SC=N1	REAL300017295813	0	49	-1.0	-49.89	384.90	6.20	-43.69
COCC1(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)CC1	REAL300017295814	0	48	-1.0	-58.22	342.02	6.22	-52.00
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)CC1	REAL300017295815	0	50	-1.0	-55.88	369.98	8.96	-46.92
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300017295816	0	49	-1.0	-65.53	376.65	8.70	-56.83
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295817	0	47	-1.0	-47.10	346.32	7.35	-39.75
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295818	0	59	-1.0	-54.68	426.14	9.71	-44.97
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1Cl	REAL300017295819	0	47	-1.0	-53.36	370.44	8.07	-45.29
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(C)C)C=C2)CC1	REAL300017295820	0	54	-1.0	-53.74	404.58	7.86	-45.88
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)CC1	REAL300017295821	0	44	-1.0	-47.68	354.38	7.12	-40.56
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(F)=C1	REAL300017295822	0	47	-1.0	-50.61	357.81	7.52	-43.09
CC1=CC=CC=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295823	0	47	-1.0	-48.13	339.93	7.29	-40.84
CC1=NC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=CN1C	REAL300017295824	0	47	-1.0	-55.81	358.96	5.85	-49.96
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=C(F)C=C2F)CC1	REAL300017295825	0	44	-1.0	-46.45	349.01	6.98	-39.47
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NON=C32)CC1	REAL300017295826	0	45	-1.0	-55.56	350.50	5.73	-49.83
CC1=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=CC=C1F	REAL300017295827	0	47	-1.0	-48.12	362.10	7.64	-40.48
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)CC1	REAL300017295828	0	49	-1.0	-54.80	369.37	8.03	-46.77
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2F)CC1	REAL300017295829	0	44	-1.0	-51.50	352.55	7.35	-44.15
CC1=CC=C(F)C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295830	0	47	-1.0	-50.35	357.81	7.52	-42.83
COC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1F	REAL300017295831	0	48	-1.0	-54.83	370.87	6.34	-48.49
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1F	REAL300017295832	0	47	-1.0	-53.70	361.70	7.68	-46.02
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=C(F)C=C2F)CC1	REAL300017295833	0	44	-1.0	-46.90	350.34	7.29	-39.61
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)C=N2)CC1	REAL300017295834	0	44	-1.0	-55.19	339.45	6.05	-49.14
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CN=C2)CC1	REAL300017295835	0	43	-1.0	-55.24	327.88	5.03	-50.21
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCCC#N)CC1	REAL300017295836	0	44	-1.0	-67.09	341.17	5.95	-61.14
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCCC2C)CC1	REAL300017295837	0	52	-1.0	-45.36	357.30	6.44	-38.92
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C(C)C)CC1	REAL300017295838	0	48	-1.0	-55.42	351.18	5.50	-49.92
CCCN(CCC)S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295839	0	54	-1.0	-55.20	395.88	7.28	-47.92
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N(C)CCC#N)CC1	REAL300017295840	0	46	-1.0	-61.25	352.10	5.36	-55.89
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(C#N)=C2)CC1	REAL300017295841	0	48	-1.0	-62.28	379.76	8.08	-54.20
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2)CC1	REAL300017295842	0	50	-1.0	-58.91	380.96	8.43	-50.48
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1C(N)=O	REAL300017295843	0	51	-1.0	-55.41	385.79	4.41	-51.00
COC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1C(N)=O	REAL300017295844	0	52	-1.0	-55.58	397.20	4.34	-51.24
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295845	0	49	-1.0	-48.54	368.12	7.96	-40.58
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295846	0	49	-1.0	-53.00	362.63	7.78	-45.22
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)N(C)C=N2)CC1	REAL300017295847	0	44	-1.0	-52.65	348.41	6.31	-46.34
CCCCN(C)S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295848	0	51	-1.0	-53.19	374.17	6.49	-46.70
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295849	0	52	-1.0	-59.34	389.99	9.22	-50.12
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295850	0	56	-1.0	-53.57	416.36	9.65	-43.92
COCCC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295851	0	54	-1.0	-54.26	411.72	7.48	-46.78
COCCN(CCOC)S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295852	0	56	-1.0	-53.00	413.50	4.26	-48.74
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295853	0	47	-1.0	-46.66	356.66	7.81	-38.85
COC(=O)C1=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=CN1	REAL300017295854	0	48	-1.0	-54.33	378.80	5.30	-49.03
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C=C2C#N)CC1	REAL300017295855	0	45	-1.0	-50.44	347.62	6.86	-43.58
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2C#N)CC1	REAL300017295856	0	45	-1.0	-50.26	357.94	7.31	-42.95
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295857	0	47	-1.0	-49.29	345.21	7.29	-42.00
COC(=O)CN1C=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=N1	REAL300017295858	0	50	-1.0	-57.39	394.79	5.72	-51.67
CCC1=NC2=CC(S(=O)(=O)N3CCC(CC(C)C)(C(=O)[O-])CC3)=CC=C2O1	REAL300017295859	0	52	-1.0	-55.84	400.29	5.37	-50.47
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295860	0	59	-1.0	-54.39	431.27	8.36	-46.03
CC1=CC=C(CS(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1F	REAL300017295861	0	50	-1.0	-49.01	385.91	8.39	-40.62
COCCC(C)S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295862	0	50	-1.0	-57.97	366.34	5.26	-52.71
CCC(C)CS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295863	0	49	-1.0	-58.74	355.02	6.81	-51.93
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC#N)C=C2)CC1	REAL300017295864	0	48	-1.0	-61.22	377.88	8.16	-53.06
CC1=NC2=C(S(=O)(=O)N3CCC(CC(C)C)(C(=O)[O-])CC3)C=CC=C2C=C1	REAL300017295865	0	52	-1.0	-55.09	390.65	8.61	-46.48
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300017295866	0	52	-1.0	-62.51	398.70	8.84	-53.67
CCN(CC1CC1)S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295867	0	52	-1.0	-55.00	384.04	7.31	-47.69
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)CC1	REAL300017295868	0	55	-1.0	-55.29	412.28	5.51	-49.78
CCCN1C=NC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295869	0	50	-1.0	-53.93	382.75	7.71	-46.22
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C#N)SC=C2)CC1	REAL300017295870	0	42	-1.0	-51.13	336.79	5.95	-45.18
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCC(F)CC2)CC1	REAL300017295871	0	53	-1.0	-57.99	382.45	8.12	-49.87
CC1=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=CC=C1Cl	REAL300017295872	0	47	-1.0	-47.82	370.85	8.04	-39.78
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CC1	REAL300017295873	0	50	-1.0	-61.59	380.99	7.80	-53.79
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)CC1	REAL300017295874	0	47	-1.0	-57.41	378.52	8.21	-49.20
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295875	0	51	-1.0	-61.42	390.98	4.42	-57.00
CCC1(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)CC1	REAL300017295876	0	47	-1.0	-58.10	339.93	6.91	-51.19
CCC1CCN(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)CC1	REAL300017295877	0	55	-1.0	-52.99	392.60	7.41	-45.58
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C(F)C=C2)CC1	REAL300017295878	0	50	-1.0	-58.25	386.64	8.54	-49.71
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2F)CC1	REAL300017295879	0	50	-1.0	-58.50	385.79	8.50	-50.00
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2Cl)CC1	REAL300017295880	0	50	-1.0	-57.65	392.90	8.83	-48.82
COC1CCN(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)CC1	REAL300017295881	0	53	-1.0	-55.48	385.26	5.16	-50.32
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295882	0	57	-1.0	-49.45	425.63	8.62	-40.83
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC(C)CC(F)(F)F)CC1	REAL300017295883	0	49	-1.0	-61.93	369.93	7.14	-54.79
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295884	0	48	-1.0	-48.56	364.39	6.89	-41.67
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)O1	REAL300017295885	0	50	-1.0	-51.86	392.83	6.32	-45.54
CCC1=NC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=CN1CC1CC1	REAL300017295886	0	57	-1.0	-53.43	426.10	8.56	-44.87
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3CC3)S2)CC1	REAL300017295887	0	47	-1.0	-49.73	375.14	6.45	-43.28
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300017295888	0	52	-1.0	-53.65	388.70	8.84	-44.81
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C3CC3)C=NN2C)CC1	REAL300017295889	0	51	-1.0	-50.38	378.94	6.75	-43.63
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C(F)F)CCCC2)CC1	REAL300017295890	0	53	-1.0	-49.15	383.52	8.28	-40.87
CCOC1(CS(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)CCOCC1	REAL300017295891	0	58	-1.0	-47.56	413.05	5.70	-41.86
CCOC(CS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1)C1CC1	REAL300017295892	0	54	-1.0	-58.03	400.25	7.47	-50.56
CC1=NC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)N1C	REAL300017295893	0	47	-1.0	-53.01	354.61	5.99	-47.02
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)CC1	REAL300017295894	0	47	-1.0	-50.26	375.77	5.60	-44.66
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)CC1	REAL300017295895	0	52	-1.0	-56.04	390.94	4.56	-51.48
COCCN1C=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=N1	REAL300017295896	0	51	-1.0	-52.04	395.14	4.56	-47.48
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295897	0	57	-1.0	-51.94	423.64	8.36	-43.58
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC(C)(C)C)CC1	REAL300017295898	0	52	-1.0	-58.71	376.29	7.11	-51.60
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300017295899	0	52	-1.0	-62.07	408.45	9.14	-52.93
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCOCC2)CC1	REAL300017295900	0	51	-1.0	-57.90	369.01	5.69	-52.21
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(F)C=C2F)CC1	REAL300017295901	0	47	-1.0	-58.92	370.64	7.79	-51.13
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C)C2)CC1	REAL300017295902	0	49	-1.0	-46.89	360.13	5.88	-41.01
COCC1=CC=CC=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295903	0	51	-1.0	-49.35	372.28	6.53	-42.82
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CC1	REAL300017295904	0	47	-1.0	-56.79	379.39	6.02	-50.77
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)CC1	REAL300017295905	0	55	-1.0	-54.07	412.59	8.23	-45.84
COC(=O)C(C)CS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295906	0	49	-1.0	-57.59	370.50	6.19	-51.40
CCC1=CC=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295907	0	50	-1.0	-48.77	378.33	8.37	-40.40
CCC1=CC=C(CS(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295908	0	53	-1.0	-58.67	401.62	9.12	-49.55
CC(C)CN(C)S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295909	0	51	-1.0	-53.47	365.92	6.14	-47.33
CCN(C)S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295910	0	45	-1.0	-53.71	330.54	4.94	-48.77
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C2CCCC2)CC1	REAL300017295911	0	52	-1.0	-55.01	373.84	6.80	-48.21
CCCN(C)S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295912	0	48	-1.0	-53.26	352.67	5.71	-47.55
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=C(F)C=CC=C2F)CC1	REAL300017295913	0	47	-1.0	-61.10	370.09	7.71	-53.39
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCOC(C)(C)C2)CC1	REAL300017295914	0	53	-1.0	-48.73	383.26	5.19	-43.54
COC1=C(C)C=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1C	REAL300017295915	0	54	-1.0	-53.57	406.45	7.77	-45.80
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295916	0	57	-1.0	-53.43	427.92	8.69	-44.74
CCCOC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295917	0	54	-1.0	-53.54	408.00	7.99	-45.55
COC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1Cl	REAL300017295918	0	48	-1.0	-54.22	380.49	6.83	-47.39
COC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1C	REAL300017295919	0	51	-1.0	-49.97	384.95	6.98	-42.99
CC1=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=CC=C1OC(C)C	REAL300017295920	0	57	-1.0	-49.93	424.90	8.55	-41.38
COC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(C)=C1	REAL300017295921	0	51	-1.0	-54.27	374.57	6.79	-47.48
COCCOC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295922	0	55	-1.0	-55.98	419.95	6.46	-49.52
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2F)CC1	REAL300017295923	0	47	-1.0	-59.83	364.22	7.72	-52.11
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)CC1	REAL300017295924	0	54	-1.0	-58.57	403.99	6.47	-52.10
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)CC1	REAL300017295925	0	45	-1.0	-49.32	371.64	7.76	-41.56
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1C	REAL300017295926	0	52	-1.0	-67.17	375.30	9.47	-57.70
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)CC1	REAL300017295927	0	45	-1.0	-54.51	371.19	7.76	-46.75
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)O1	REAL300017295928	0	47	-1.0	-51.72	374.98	5.74	-45.98
CC1=NC(C)=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)S1	REAL300017295929	0	46	-1.0	-46.76	359.67	5.28	-41.48
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCC2)CC1	REAL300017295930	0	50	-1.0	-58.93	362.81	7.35	-51.58
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC1	REAL300017295931	0	46	-1.0	-61.98	357.33	8.28	-53.70
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCCC2)CC1	REAL300017295932	0	53	-1.0	-57.16	378.35	8.11	-49.05
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295933	0	53	-1.0	-50.59	394.57	7.94	-42.65
COC1=CC(C)=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1OC	REAL300017295934	0	55	-1.0	-50.45	398.48	6.47	-43.98
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295935	0	52	-1.0	-54.50	390.74	8.69	-45.81
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)CC1	REAL300017295936	0	47	-1.0	-56.57	374.67	7.87	-48.70
COC(=O)CCCS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295937	0	49	-1.0	-66.73	376.52	6.22	-60.51
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)CC1	REAL300017295938	0	49	-1.0	-57.70	376.98	3.13	-54.57
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295939	0	47	-1.0	-52.25	360.36	7.97	-44.28
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295940	0	55	-1.0	-49.54	406.51	7.43	-42.11
CNC(=O)C1=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=CN1C	REAL300017295941	0	52	-1.0	-57.79	398.75	4.63	-53.16
COC1=CC(C)=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(C)=C1	REAL300017295942	0	54	-1.0	-52.67	386.45	7.65	-45.02
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1	REAL300017295943	0	53	-1.0	-62.17	413.72	8.36	-53.81
COC(=O)C1CCN(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)CC1	REAL300017295944	0	55	-1.0	-48.65	409.09	6.78	-41.87
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295945	0	53	-1.0	-63.81	413.54	8.35	-55.46
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)O1	REAL300017295946	0	50	-1.0	-51.66	396.84	6.67	-44.99
COC1=CC(C)=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1C	REAL300017295947	0	54	-1.0	-48.81	389.35	7.31	-41.50
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3COC(=O)C3=C2)CC1	REAL300017295948	0	48	-1.0	-61.69	373.42	7.35	-54.34
CCOC(=O)CCCS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295949	0	52	-1.0	-66.50	398.38	7.14	-59.36
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295950	0	49	-1.0	-67.59	363.15	9.17	-58.42
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2COC3=O)CC1	REAL300017295951	0	48	-1.0	-55.62	368.04	7.12	-48.50
CC1=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300017295952	0	52	-1.0	-52.58	378.49	8.01	-44.57
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)N=C2)CC1	REAL300017295953	0	46	-1.0	-61.29	370.62	6.33	-54.96
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)CC1	REAL300017295954	0	46	-1.0	-49.87	364.62	7.52	-42.35
CCN1C=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300017295955	0	49	-1.0	-46.79	381.94	7.59	-39.20
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CC1	REAL300017295956	0	46	-1.0	-48.34	361.48	8.34	-40.00
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)CC1	REAL300017295957	0	46	-1.0	-52.34	369.68	7.72	-44.62
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295958	0	52	-1.0	-54.83	398.52	8.21	-46.62
CC1=NNC=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295959	0	44	-1.0	-54.90	331.20	3.85	-51.05
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)N(C)C2CC2)CC1	REAL300017295960	0	46	-1.0	-46.71	340.58	5.57	-41.14
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=CC=C23)CC1	REAL300017295961	0	47	-1.0	-67.44	362.72	6.15	-61.29
CCOC(=O)CCS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295962	0	49	-1.0	-57.07	376.81	6.43	-50.64
CC1=CC=CC(CS(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295963	0	50	-1.0	-48.92	380.64	8.36	-40.56
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(F)=C2)CC1	REAL300017295964	0	47	-1.0	-59.67	365.14	7.75	-51.92
CC1=CC=CC=C1CS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295965	0	50	-1.0	-58.27	374.70	8.27	-50.00
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295966	0	54	-1.0	-56.18	402.93	8.35	-47.83
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CC1	REAL300017295967	0	49	-1.0	-64.87	383.42	7.15	-57.72
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300017295968	0	51	-1.0	-54.25	395.95	8.07	-46.18
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(F)=C2C#N)CC1	REAL300017295969	0	45	-1.0	-59.69	350.55	6.98	-52.71
COCCS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295970	0	44	-1.0	-55.71	333.16	3.74	-51.97
COC(=O)C1=CSC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295971	0	47	-1.0	-51.34	383.46	6.62	-44.72
COC(=O)C1=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=CC=C1C	REAL300017295972	0	53	-1.0	-54.88	406.02	8.14	-46.74
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)CC1	REAL300017295973	0	54	-1.0	-54.54	383.58	9.37	-45.17
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC(F)=C2)CC1	REAL300017295974	0	43	-1.0	-48.63	336.80	5.22	-43.41
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3COCC3=C2)CC1	REAL300017295975	0	49	-1.0	-53.92	371.02	6.28	-47.64
COC(=O)CC1(CS(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)CC1	REAL300017295976	0	53	-1.0	-51.92	400.40	7.47	-44.45
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C(C)C(F)(F)F)CC1	REAL300017295977	0	43	-1.0	-57.69	332.07	5.73	-51.96
CC1=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C(F)C=C1F	REAL300017295978	0	47	-1.0	-48.55	363.06	7.55	-41.00
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295979	0	51	-1.0	-66.76	399.57	1.68	-65.08
CC1=CC(F)=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1F	REAL300017295980	0	47	-1.0	-47.97	362.96	7.55	-40.42
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300017295981	0	41	-1.0	-49.04	339.82	5.67	-43.37
CC1=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300017295982	0	50	-1.0	-49.96	388.72	7.88	-42.08
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)CC1	REAL300017295983	0	47	-1.0	-49.04	380.72	8.44	-40.60
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCO2)CC1	REAL300017295984	0	51	-1.0	-57.89	377.45	5.79	-52.10
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)CC1	REAL300017295985	0	45	-1.0	-47.97	364.67	7.61	-40.36
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1N(C)C	REAL300017295986	0	55	-1.0	-53.56	409.77	7.62	-45.94
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(Cl)N2C)CC1	REAL300017295987	0	44	-1.0	-52.85	352.57	5.81	-47.04
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)C(Cl)=N2)CC1	REAL300017295988	0	44	-1.0	-53.73	351.13	5.57	-48.16
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)CC1	REAL300017295989	0	47	-1.0	-61.79	365.93	7.21	-54.58
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295990	0	56	-1.0	-52.11	405.67	7.34	-44.77
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(CC(C)C)(C(=O)[O-])CC3)C=C12	REAL300017295991	0	51	-1.0	-54.65	396.63	4.65	-50.00
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)CC1	REAL300017295992	0	47	-1.0	-62.13	365.98	6.60	-55.53
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CC1	REAL300017295993	0	43	-1.0	-46.49	349.95	5.70	-40.79
COC(=O)C1CCCCC1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295994	0	56	-1.0	-61.92	404.70	8.57	-53.35
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN3CCCCC3=N2)CC1	REAL300017295995	0	51	-1.0	-56.12	381.21	6.99	-49.13
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2C#N)CC1	REAL300017295996	0	48	-1.0	-60.55	394.15	8.44	-52.11
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CC2)CC1	REAL300017295997	0	45	-1.0	-51.91	347.90	6.35	-45.56
COC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(C)=C1F	REAL300017295998	0	51	-1.0	-51.81	374.63	6.63	-45.18
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1	REAL300017295999	0	54	-1.0	-50.93	390.50	7.85	-43.08
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)CC2(C)CCCCC2)CC1	REAL300017296000	0	56	-1.0	-46.34	385.27	8.45	-37.89
CC1=CC=C(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1F	REAL300017307154	0	36	-1.0	-53.70	316.85	4.88	-48.82
N#CCC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307155	0	34	-1.0	-55.62	308.56	4.60	-51.02
COC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC(F)=C1F	REAL300017307156	0	36	-1.0	-50.18	331.20	4.21	-45.97
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)CCO1	REAL300017307157	0	42	-1.0	-53.16	349.78	4.93	-48.23
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CCO1	REAL300017307158	0	48	-1.0	-48.96	352.58	5.14	-43.82
CC1=NC2=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=CC=C2C=C1	REAL300017307159	0	38	-1.0	-56.62	316.11	4.86	-51.76
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CCO1	REAL300017307160	0	38	-1.0	-61.95	330.31	5.37	-56.58
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)CCO1	REAL300017307161	0	41	-1.0	-50.91	342.68	2.00	-48.91
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307162	0	44	-1.0	-52.66	384.77	4.60	-48.06
CCCN1C=NC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307163	0	36	-1.0	-58.39	313.65	4.21	-54.18
N#CC1=CC(F)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Br	REAL300017307164	0	31	-1.0	-48.31	308.03	4.24	-44.07
N#CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=CS1	REAL300017307165	0	28	-1.0	-58.10	268.83	2.49	-55.61
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2CCC(F)CC2)CCO1	REAL300017307166	0	39	-1.0	-51.66	312.99	4.62	-47.04
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300017307167	0	33	-1.0	-48.77	301.01	4.56	-44.21
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CCO1	REAL300017307168	0	36	-1.0	-54.67	313.68	4.45	-50.22
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C2)=N1	REAL300017307169	0	39	-1.0	-52.50	352.57	4.91	-47.59
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1F	REAL300017307170	0	36	-1.0	-58.08	337.25	4.47	-53.61
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307171	0	39	-1.0	-54.23	343.37	4.69	-49.54
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307172	0	36	-1.0	-50.68	324.03	5.24	-45.44
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)CCO1	REAL300017307173	0	33	-1.0	-51.40	309.90	4.66	-46.74
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Br)=C2)CCO1	REAL300017307174	0	30	-1.0	-47.46	303.61	4.59	-42.87
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307175	0	37	-1.0	-56.08	321.51	0.90	-55.18
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307176	0	55	-1.0	-50.12	446.67	8.37	-41.75
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307177	0	45	-1.0	-53.17	376.20	5.78	-47.39
CCC1CCN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	REAL300017307178	0	41	-1.0	-49.37	322.69	3.92	-45.45
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2=CC=C(F)C=C2)CCO1	REAL300017307179	0	36	-1.0	-51.58	318.02	5.00	-46.58
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2=CC=CC=C2F)CCO1	REAL300017307180	0	36	-1.0	-54.90	316.24	5.00	-49.90
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2=CC=CC=C2Cl)CCO1	REAL300017307181	0	36	-1.0	-53.80	324.51	5.38	-48.42
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307182	0	34	-1.0	-45.82	316.48	3.95	-41.87
COC1=CC2=C(C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1)C(=O)NCCC2	REAL300017307183	0	45	-1.0	-54.60	365.47	2.36	-52.24
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)S2)C1	REAL300017307184	0	41	-1.0	-52.91	356.82	3.98	-48.93
CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300017307185	0	37	-1.0	-50.53	339.25	6.04	-44.49
COC1CCN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	REAL300017307186	0	39	-1.0	-51.08	316.58	1.64	-49.44
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC(F)=CC=C2Br)CCO1	REAL300017307187	0	33	-1.0	-50.98	313.14	4.77	-46.21
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307188	0	43	-1.0	-51.00	355.59	5.13	-45.87
CC(CC(F)(F)F)CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307189	0	35	-1.0	-51.96	301.64	3.67	-48.29
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)CCO1	REAL300017307190	0	37	-1.0	-52.51	323.54	5.01	-47.50
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=C2)=N1	REAL300017307191	0	42	-1.0	-55.87	349.99	2.92	-52.95
COC1=CC(F)=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307192	0	34	-1.0	-48.59	296.03	3.35	-45.24
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)O1	REAL300017307193	0	36	-1.0	-52.97	323.67	2.80	-50.17
CCC1=NC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CN1CC1CC1	REAL300017307194	0	43	-1.0	-59.45	364.92	5.38	-54.07
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C2C1	REAL300017307195	0	41	-1.0	-59.91	349.66	3.90	-56.01
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C(C3CC3)S2)CCO1	REAL300017307196	0	33	-1.0	-50.25	305.34	2.96	-47.29
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C3NC=C(Br)C=C23)CCO1	REAL300017307197	0	33	-1.0	-60.37	313.62	3.18	-57.19
CCCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300017307198	0	49	-1.0	-50.92	397.00	6.51	-44.41
CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300017307199	0	38	-1.0	-50.08	320.56	5.35	-44.73
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307200	0	37	-1.0	-49.01	310.49	3.30	-45.71
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CCO1	REAL300017307201	0	43	-1.0	-48.94	356.47	5.32	-43.62
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)CCO1	REAL300017307202	0	44	-1.0	-50.80	383.02	6.82	-43.98
COC(CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300017307203	0	40	-1.0	-50.67	348.08	4.54	-46.13
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)CCO1	REAL300017307204	0	42	-1.0	-53.76	349.65	4.91	-48.85
COC(=O)NC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Cl	REAL300017307205	0	38	-1.0	-51.24	346.53	2.32	-48.92
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=CC=C12	REAL300017307206	0	42	-1.0	-52.82	352.05	6.30	-46.52
COC(=O)NC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C	REAL300017307207	0	41	-1.0	-55.67	350.24	2.56	-53.11
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2(C(F)F)CCCC2)CCO1	REAL300017307208	0	39	-1.0	-50.66	315.57	4.64	-46.02
CCOC1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCOCC1	REAL300017307209	0	44	-1.0	-51.56	343.85	2.18	-49.38
CCOC(CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1)C1CC1	REAL300017307210	0	40	-1.0	-50.31	330.82	3.94	-46.37
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1F	REAL300017307211	0	36	-1.0	-58.04	326.92	4.02	-54.02
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=C(Cl)C=C21	REAL300017307212	0	41	-1.0	-56.82	350.07	4.67	-52.15
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307213	0	33	-1.0	-48.66	304.69	1.95	-46.71
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)CCO1	REAL300017307214	0	41	-1.0	-53.93	366.13	7.57	-46.36
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307215	0	33	-1.0	-49.79	299.03	4.47	-45.32
CC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1Br	REAL300017307216	0	33	-1.0	-50.25	293.18	4.38	-45.87
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307217	0	36	-1.0	-56.26	320.01	4.37	-51.89
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)CCO1	REAL300017307218	0	38	-1.0	-52.24	324.27	1.18	-51.06
COC1=CC(Br)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307219	0	34	-1.0	-50.03	316.37	3.38	-46.65
COC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017307220	0	36	-1.0	-50.94	321.10	4.20	-46.74
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307221	0	36	-1.0	-52.22	310.65	4.81	-47.41
COCCN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=N1	REAL300017307222	0	37	-1.0	-50.84	325.30	1.07	-49.77
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307223	0	43	-1.0	-48.52	354.32	4.84	-43.68
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CCO1	REAL300017307224	0	37	-1.0	-55.86	330.69	3.98	-51.88
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CCO1	REAL300017307225	0	38	-1.0	-54.89	339.83	5.60	-49.29
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(F)C(Br)=C2)CCO1	REAL300017307226	0	30	-1.0	-47.11	292.55	4.13	-42.98
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=C(F)C=C2F)CCO1	REAL300017307227	0	33	-1.0	-53.94	301.85	4.27	-49.67
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CCO1	REAL300017307228	0	37	-1.0	-68.62	330.19	1.32	-67.30
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C21	REAL300017307229	0	39	-1.0	-52.00	341.51	4.43	-47.57
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307230	0	33	-1.0	-49.18	290.06	4.31	-44.87
COCC1=CC=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307231	0	37	-1.0	-50.38	306.07	3.13	-47.25
COC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300017307232	0	34	-1.0	-49.11	315.46	3.43	-45.68
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C(Cl)S1	REAL300017307233	0	33	-1.0	-56.32	328.32	0.31	-56.01
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CCO1	REAL300017307234	0	33	-1.0	-57.29	309.54	2.52	-54.77
CC1(C)CC2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C2O1	REAL300017307235	0	41	-1.0	-50.98	343.01	4.70	-46.28
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1F	REAL300017307236	0	38	-1.0	-54.58	344.49	0.25	-54.33
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1F	REAL300017307237	0	41	-1.0	-53.67	365.95	1.14	-52.53
CCC(=O)NCC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1OC	REAL300017307238	0	47	-1.0	-56.43	396.46	2.63	-53.80
CCC1=CC=C(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307239	0	39	-1.0	-52.82	332.22	5.64	-47.18
COC1=CC=C(Br)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307240	0	34	-1.0	-51.50	302.64	3.00	-48.50
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CCO1	REAL300017307241	0	45	-1.0	-50.91	379.29	3.91	-47.00
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307242	0	39	-1.0	-58.36	347.71	1.88	-56.48
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)CCO1	REAL300017307243	0	32	-1.0	-49.16	313.86	3.38	-45.78
CC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300017307244	0	35	-1.0	-50.55	322.32	4.49	-46.06
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307245	0	35	-1.0	-58.15	311.48	4.05	-54.10
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307246	0	31	-1.0	-49.83	307.71	4.47	-45.36
CCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Br	REAL300017307247	0	37	-1.0	-52.34	337.31	4.37	-47.97
O=C([O-])[C@@H]1CN(S(=O)(=O)CCNC(=O)OCC2=CC=CC=C2)CCO1	REAL300017307248	0	44	-1.0	-56.53	382.78	2.88	-53.65
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=C(F)C=CC=C2F)CCO1	REAL300017307249	0	33	-1.0	-54.46	300.74	4.21	-50.25
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307250	0	43	-1.0	-50.74	372.78	5.10	-45.64
CC1(C)CN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1	REAL300017307251	0	39	-1.0	-49.08	311.74	1.65	-47.43
COC1=C(C)C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C	REAL300017307252	0	40	-1.0	-50.68	336.79	4.27	-46.41
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307253	0	46	-1.0	-50.17	378.24	5.77	-44.40
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CCO1	REAL300017307254	0	44	-1.0	-50.49	360.41	5.63	-44.86
CC(C)COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307255	0	43	-1.0	-50.36	359.28	5.16	-45.20
CCCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307256	0	40	-1.0	-50.25	339.18	4.46	-45.79
COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Cl	REAL300017307257	0	34	-1.0	-52.61	311.06	3.33	-49.28
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CCO1	REAL300017307258	0	34	-1.0	-51.69	320.82	3.60	-48.09
COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C	REAL300017307259	0	37	-1.0	-50.69	315.11	3.50	-47.19
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1OC(C)C	REAL300017307260	0	43	-1.0	-50.30	354.89	5.05	-45.25
COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C)=C1	REAL300017307261	0	37	-1.0	-51.24	301.40	3.10	-48.14
COCCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307262	0	41	-1.0	-53.29	351.31	2.93	-50.36
COCCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C	REAL300017307263	0	44	-1.0	-52.41	370.59	3.70	-48.71
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=CC=C2F)CCO1	REAL300017307264	0	33	-1.0	-51.83	295.43	4.20	-47.63
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307265	0	41	-1.0	-55.55	356.31	3.13	-52.42
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)CCO1	REAL300017307266	0	45	-1.0	-50.33	372.40	2.94	-47.39
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307267	0	40	-1.0	-52.56	337.69	3.33	-49.23
CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(Br)=C1	REAL300017307268	0	33	-1.0	-49.91	294.58	4.38	-45.53
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307269	0	36	-1.0	-59.23	331.77	1.18	-58.05
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307270	0	36	-1.0	-55.30	323.68	5.52	-49.78
N#CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Cl	REAL300017307271	0	31	-1.0	-51.25	301.75	4.27	-46.98
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307272	0	33	-1.0	-46.66	290.95	4.34	-42.32
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1C	REAL300017307273	0	38	-1.0	-58.83	313.62	6.12	-52.71
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307274	0	36	-1.0	-54.14	325.79	4.31	-49.83
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307275	0	39	-1.0	-58.67	332.68	1.32	-57.35
N#CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300017307276	0	34	-1.0	-49.39	309.23	5.10	-44.29
N#CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300017307277	0	31	-1.0	-48.40	301.77	4.27	-44.13
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307278	0	46	-1.0	-50.44	375.88	5.10	-45.34
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)CCO1	REAL300017307279	0	42	-1.0	-54.05	375.32	1.29	-52.76
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307280	0	38	-1.0	-54.65	342.94	-0.39	-55.04
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)S1	REAL300017307281	0	40	-1.0	-57.95	362.04	2.36	-55.59
COC(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)O1	REAL300017307282	0	33	-1.0	-52.91	305.77	2.22	-50.69
CC1=NC(C)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)S1	REAL300017307283	0	32	-1.0	-50.30	293.37	1.93	-48.37
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCO1	REAL300017307284	0	32	-1.0	-61.11	276.56	5.01	-56.10
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CCO1	REAL300017307285	0	33	-1.0	-51.61	322.88	5.21	-46.40
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C(C)N1	REAL300017307286	0	43	-1.0	-50.01	360.18	4.11	-45.90
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(F)C=CC=C2Br)CCO1	REAL300017307287	0	30	-1.0	-52.73	283.18	4.32	-48.41
CC1=NC(C2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)S2)=CS1	REAL300017307288	0	36	-1.0	-51.63	345.03	4.02	-47.61
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)CCO1	REAL300017307289	0	50	-1.0	-49.23	400.91	7.06	-42.17
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(C(=O)NCC(F)(F)F)=CC=C2)CCO1	REAL300017307290	0	40	-1.0	-54.07	362.82	3.04	-51.03
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307291	0	39	-1.0	-57.65	326.69	4.47	-53.18
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])CCO1	REAL300017307292	0	32	-1.0	-55.10	302.89	5.81	-49.29
COC1=CC(F)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1OC	REAL300017307293	0	38	-1.0	-52.61	326.30	2.55	-50.06
COC1=CC(C)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1OC	REAL300017307294	0	41	-1.0	-53.58	330.64	3.01	-50.57
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CCO1	REAL300017307295	0	32	-1.0	-46.19	313.65	6.05	-40.14
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307296	0	38	-1.0	-57.06	323.51	4.97	-52.09
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)CCO1	REAL300017307297	0	33	-1.0	-52.11	305.06	4.37	-47.74
CN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(N)=O	REAL300017307298	0	35	-1.0	-54.50	307.74	-0.38	-54.88
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307299	0	33	-1.0	-46.79	286.39	4.23	-42.56
CCOC(=O)C1CCCN1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307300	0	41	-1.0	-54.89	341.84	4.16	-50.73
CNC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CN1C	REAL300017307301	0	38	-1.0	-54.00	329.53	1.11	-52.89
COC1=CC(C)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C)=C1	REAL300017307302	0	40	-1.0	-49.92	317.39	4.07	-45.85
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)CCO1	REAL300017307303	0	38	-1.0	-54.07	330.92	2.84	-51.23
COC(=O)C1=CC=C(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307304	0	39	-1.0	-54.83	344.14	4.87	-49.96
COC(=O)C1CCN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	REAL300017307305	0	41	-1.0	-55.17	338.79	3.25	-51.92
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)CCO1	REAL300017307306	0	41	-1.0	-52.64	341.03	3.59	-49.05
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307307	0	39	-1.0	-54.58	344.94	4.81	-49.77
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)O1	REAL300017307308	0	36	-1.0	-52.96	327.63	3.15	-49.81
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307309	0	43	-1.0	-52.53	373.14	4.51	-48.02
COC1=CC(C)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C	REAL300017307310	0	40	-1.0	-52.02	321.56	3.85	-48.17
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3COC(=O)C3=C2)CCO1	REAL300017307311	0	34	-1.0	-54.75	303.91	3.84	-50.91
CCOC(=O)CCCS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307312	0	38	-1.0	-57.31	328.19	3.67	-53.64
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CCO1	REAL300017307313	0	33	-1.0	-52.65	296.14	5.04	-47.61
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])CCO1	REAL300017307314	0	32	-1.0	-54.82	307.46	5.91	-48.91
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307315	0	35	-1.0	-59.76	294.95	5.42	-54.34
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)CCO1	REAL300017307316	0	32	-1.0	-49.68	301.07	4.37	-45.31
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Br)C=CS2)CCO1	REAL300017307317	0	27	-1.0	-50.19	277.89	3.07	-47.12
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=C2COC3=O)CCO1	REAL300017307318	0	34	-1.0	-51.86	296.76	3.53	-48.33
CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300017307319	0	38	-1.0	-51.31	310.34	4.59	-46.72
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=C(Cl)N=C2)CCO1	REAL300017307320	0	32	-1.0	-54.92	301.04	2.84	-52.08
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)CCO1	REAL300017307321	0	38	-1.0	-51.92	328.17	2.60	-49.32
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Br)=CN=C2Cl)CCO1	REAL300017307322	0	29	-1.0	-46.66	287.71	2.39	-44.27
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)CCO1	REAL300017307323	0	32	-1.0	-52.01	295.88	4.02	-47.99
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)CCO1	REAL300017307324	0	32	-1.0	-50.22	309.98	4.59	-45.63
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307325	0	39	-1.0	-55.70	345.60	1.97	-53.73
CCN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300017307326	0	35	-1.0	-57.68	317.71	4.21	-53.47
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCO1	REAL300017307327	0	32	-1.0	-65.09	290.54	4.65	-60.44
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)CCO1	REAL300017307328	0	32	-1.0	-50.50	300.20	4.20	-46.30
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)CCO1	REAL300017307329	0	37	-1.0	-52.49	337.25	4.13	-48.36
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])CCO1	REAL300017307330	0	32	-1.0	-53.68	302.17	5.61	-48.07
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CCO1	REAL300017307331	0	44	-1.0	-50.71	377.59	6.72	-43.99
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(F)=C1	REAL300017307332	0	38	-1.0	-56.53	344.86	-0.02	-56.55
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307333	0	38	-1.0	-61.92	329.32	4.69	-57.23
CCOC(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	REAL300017307334	0	43	-1.0	-50.43	350.60	2.12	-48.31
COC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C2=CC=C(Cl)N=C2C=C1	REAL300017307335	0	39	-1.0	-53.94	341.07	4.53	-49.41
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CCO1	REAL300017307336	0	40	-1.0	-55.23	351.56	5.02	-50.21
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C3NC=CC=C23)CCO1	REAL300017307337	0	33	-1.0	-61.79	293.50	2.66	-59.13
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307338	0	52	-1.0	-51.08	406.43	6.54	-44.54
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307339	0	38	-1.0	-59.18	343.67	0.06	-59.12
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=CC(F)=C2)CCO1	REAL300017307340	0	33	-1.0	-51.17	296.54	4.24	-46.93
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1F	REAL300017307341	0	36	-1.0	-54.83	330.64	1.00	-53.83
CCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300017307342	0	43	-1.0	-53.64	351.82	5.74	-47.90
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307343	0	40	-1.0	-51.93	334.27	4.87	-47.06
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CCO1	REAL300017307344	0	35	-1.0	-55.94	314.51	3.60	-52.34
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CCO1	REAL300017307345	0	37	-1.0	-54.50	326.15	4.58	-49.92
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)CCO1	REAL300017307346	0	32	-1.0	-48.06	309.94	4.59	-43.47
N#CC1=C(F)C=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307347	0	31	-1.0	-51.77	280.91	3.48	-48.29
CCOCCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307348	0	44	-1.0	-53.41	373.16	3.90	-49.51
CCCCCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307349	0	46	-1.0	-50.27	382.18	6.02	-44.25
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCO1	REAL300017307350	0	32	-1.0	-52.36	289.72	5.29	-47.07
COC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1F	REAL300017307351	0	36	-1.0	-50.59	324.87	4.15	-46.44
COC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300017307352	0	36	-1.0	-47.86	338.36	4.70	-43.16
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307353	0	40	-1.0	-51.45	344.27	3.95	-47.50
COC(=O)CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)S1	REAL300017307354	0	36	-1.0	-55.02	335.59	4.03	-50.99
COC(=O)C1=CSC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307355	0	33	-1.0	-49.31	314.37	3.12	-46.19
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307356	0	42	-1.0	-57.22	343.66	4.99	-52.23
COC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300017307357	0	36	-1.0	-49.52	332.86	4.51	-45.01
COC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1C	REAL300017307358	0	39	-1.0	-50.29	336.37	4.65	-45.64
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307359	0	36	-1.0	-54.78	323.06	4.06	-50.72
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=C2CCCC3)CCO1	REAL300017307360	0	40	-1.0	-50.13	310.68	5.54	-44.59
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CCO1	REAL300017307361	0	36	-1.0	-51.04	314.84	5.25	-45.79
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=CC(Br)=C2)CCO1	REAL300017307362	0	29	-1.0	-48.28	281.90	2.26	-46.02
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CCO1	REAL300017307363	0	34	-1.0	-49.63	322.72	4.90	-44.73
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3COCC3=C2)CCO1	REAL300017307364	0	35	-1.0	-50.68	301.64	2.76	-47.92
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)CCO1	REAL300017307365	0	35	-1.0	-49.85	316.22	-1.08	-50.93
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C2S1	REAL300017307366	0	44	-1.0	-51.44	378.57	5.42	-46.02
COC(=O)CC1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	REAL300017307367	0	39	-1.0	-54.67	332.22	3.95	-50.72
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307368	0	35	-1.0	-55.59	325.71	3.87	-51.72
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C(F)C=C1F	REAL300017307369	0	33	-1.0	-51.12	294.33	4.05	-47.07
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307370	0	37	-1.0	-48.48	328.98	4.46	-44.02
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C21	REAL300017307371	0	42	-1.0	-52.82	356.30	5.00	-47.82
CCCCCCN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(=O)NC1=O	REAL300017307372	0	48	-1.0	-64.48	399.77	4.13	-60.35
CC1=CN(C2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C2F)N=C1	REAL300017307373	0	40	-1.0	-51.75	349.15	5.32	-46.43
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)S1	REAL300017307374	0	37	-1.0	-51.54	341.55	2.53	-49.01
CCS(=O)(=O)NCCS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307375	0	37	-1.0	-60.56	329.38	-1.79	-62.35
CC1=CC(F)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1F	REAL300017307376	0	33	-1.0	-50.11	294.33	4.06	-46.05
CC1=CC(Cl)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017307377	0	35	-1.0	-47.99	317.29	4.90	-43.09
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Br)O2)CCO1	REAL300017307378	0	27	-1.0	-47.25	269.92	2.19	-45.06
CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300017307379	0	36	-1.0	-50.62	322.34	4.57	-46.05
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)SC(Br)=C2)CCO1	REAL300017307380	0	27	-1.0	-45.82	284.49	3.33	-42.49
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)CCO1	REAL300017307381	0	33	-1.0	-49.36	310.93	4.95	-44.41
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CCO1	REAL300017307382	0	33	-1.0	-48.94	321.23	5.39	-43.55
CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300017307383	0	36	-1.0	-53.17	328.74	6.14	-47.03
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CCO1	REAL300017307384	0	33	-1.0	-48.22	313.41	5.08	-43.14
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)CCO1	REAL300017307385	0	36	-1.0	-54.07	314.26	6.38	-47.69
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CCO1	REAL300017307386	0	36	-1.0	-52.96	318.32	5.97	-46.99
CN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(=O)NCC(F)(F)F	REAL300017307387	0	41	-1.0	-54.40	370.52	2.41	-51.99
CCOC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CN1C	REAL300017307388	0	40	-1.0	-52.64	348.61	4.49	-48.15
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C2O1	REAL300017307389	0	44	-1.0	-52.11	379.71	5.66	-46.45
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1F	REAL300017307390	0	36	-1.0	-55.74	330.67	1.00	-54.74
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307391	0	39	-1.0	-61.36	356.99	3.39	-57.97
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307392	0	43	-1.0	-55.04	373.76	5.01	-50.03
CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)SC2=CC=CC(F)=C12	REAL300017307393	0	36	-1.0	-52.24	325.56	5.57	-46.67
O=C([O-])[C@@H]1CN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)CCO1	REAL300017307394	0	41	-1.0	-59.09	365.53	0.52	-58.57
N#CC1=CC(F)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(F)=C1	REAL300017307395	0	31	-1.0	-50.99	294.87	4.14	-46.85
CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1N(C)C	REAL300017307396	0	41	-1.0	-49.87	340.16	4.11	-45.76
CN1C(Cl)=NC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307397	0	30	-1.0	-49.63	279.34	2.26	-47.37
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307398	0	35	-1.0	-53.64	312.58	4.84	-48.80
CSC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Cl	REAL300017307399	0	34	-1.0	-52.19	320.75	4.94	-47.25
CN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)N=C1Cl	REAL300017307400	0	30	-1.0	-51.68	285.72	2.29	-49.39
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307401	0	33	-1.0	-54.82	299.56	3.86	-50.96
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC(=O)OCC2=CC=CC=C2)CCO1	REAL300017307402	0	42	-1.0	-54.01	366.61	5.96	-48.05
CN(C)C1=CC=C(Br)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307403	0	38	-1.0	-50.64	324.24	4.10	-46.54
CC1=NN2C=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=NC2=C1Cl	REAL300017307404	0	35	-1.0	-51.61	326.53	3.42	-48.19
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307405	0	36	-1.0	-53.38	323.72	5.53	-47.85
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307406	0	42	-1.0	-49.14	339.02	3.78	-45.36
CCC1=NOC2=NC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C12	REAL300017307407	0	37	-1.0	-53.69	326.78	1.16	-52.53
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC([N+](=O)[O-])=C1F	REAL300017307408	0	35	-1.0	-53.92	318.63	4.78	-49.14
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307409	0	36	-1.0	-53.28	313.39	5.09	-48.19
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)CCO1	REAL300017307410	0	33	-1.0	-66.87	295.92	3.02	-63.85
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=C(Cl)C=C2Br)CCO1	REAL300017307411	0	33	-1.0	-51.48	323.57	5.24	-46.24
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307412	0	38	-1.0	-59.70	333.36	1.87	-57.83
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCO1	REAL300017307413	0	29	-1.0	-46.57	283.52	2.30	-44.27
COC(=O)C1CCCCC1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307414	0	42	-1.0	-57.93	326.78	4.49	-53.44
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300017307415	0	43	-1.0	-51.15	364.67	6.07	-45.08
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN3CCCCC3=N2)CCO1	REAL300017307416	0	37	-1.0	-60.34	312.00	3.47	-56.87
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307417	0	34	-1.0	-50.45	325.31	4.90	-45.55
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCO1	REAL300017307418	0	36	-1.0	-49.33	334.15	1.54	-47.79
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307419	0	34	-1.0	-45.91	316.48	3.94	-41.97
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CCO1	REAL300017307420	0	39	-1.0	-58.84	331.19	7.24	-51.60
CCC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C(C(=O)OC)O1	REAL300017307421	0	39	-1.0	-52.63	337.00	3.43	-49.20
O=C([O-])[C@@H]1CN(S(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)CCO1	REAL300017307422	0	47	-1.0	-59.82	379.74	5.33	-54.49
COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C)=C1F	REAL300017307423	0	37	-1.0	-50.45	306.55	3.15	-47.30
O=C([O-])[C@@H]1CN(S(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)CCO1	REAL300017307424	0	50	-1.0	-55.67	386.36	5.13	-50.54
O=C([O-])[C@@H]1CN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CCO1	REAL300017307425	0	44	-1.0	-50.91	359.87	3.75	-47.16
O=C([O-])[C@@H]1CN(S(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)CCO1	REAL300017307426	0	41	-1.0	-50.53	365.45	4.29	-46.24
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307427	0	38	-1.0	-51.88	335.18	5.69	-46.19
N#CC1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCCCC1	REAL300017307428	0	40	-1.0	-59.59	321.36	4.34	-55.25
CC1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCCCC1	REAL300017307429	0	42	-1.0	-49.74	316.19	4.95	-44.79
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)CCO1	REAL300017307430	0	39	-1.0	-51.25	327.44	4.89	-46.36
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(CC(F)F)N=C2)CCO1	REAL300017307431	0	33	-1.0	-56.55	303.51	2.35	-54.20
COC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1F	REAL300017307432	0	34	-1.0	-49.49	301.26	2.82	-46.67
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307433	0	41	-1.0	-54.18	352.95	3.58	-50.60
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307434	0	44	-1.0	-52.46	376.32	4.59	-47.87
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307435	0	39	-1.0	-51.34	312.01	5.03	-46.31
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CCO1	REAL300017307436	0	44	-1.0	-51.94	377.20	6.83	-45.11
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C2O1	REAL300017307437	0	45	-1.0	-52.06	389.29	6.14	-45.92
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307438	0	42	-1.0	-57.47	348.55	5.39	-52.08
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCO1	REAL300017307439	0	30	-1.0	-45.23	292.41	4.18	-41.05
CC1=C(Cl)SC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307440	0	30	-1.0	-47.02	294.52	3.68	-43.34
COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(F)=C1	REAL300017307441	0	34	-1.0	-52.79	297.12	2.65	-50.14
CC1=CC=C(C)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300017307442	0	38	-1.0	-53.92	318.92	6.30	-47.62
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CCO1	REAL300017307443	0	36	-1.0	-51.16	327.33	5.23	-45.93
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300017307444	0	40	-1.0	-46.08	346.89	6.03	-40.05
COC(=O)NC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307445	0	38	-1.0	-55.67	333.53	1.66	-54.01
CN(C)C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307446	0	38	-1.0	-52.29	317.06	3.86	-48.43
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)CCO1	REAL300017307447	0	36	-1.0	-52.77	311.22	3.97	-48.80
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(C(F)F)=C2)CCO1	REAL300017307449	0	33	-1.0	-53.16	299.71	4.39	-48.77
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)CCO1	REAL300017307450	0	33	-1.0	-47.14	321.37	4.99	-42.15
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)CCO1	REAL300017307451	0	33	-1.0	-47.39	307.06	4.41	-42.98
CC1=CC(Br)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307452	0	33	-1.0	-50.65	308.29	4.74	-45.91
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307453	0	41	-1.0	-56.07	345.03	2.40	-53.67
CSC1=CC=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307454	0	34	-1.0	-51.56	292.84	4.06	-47.50
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307455	0	41	-1.0	-58.64	343.34	3.30	-55.34
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CCO1	REAL300017307456	0	42	-1.0	-58.35	354.08	2.59	-55.76
COC1=C(F)C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017307457	0	36	-1.0	-51.24	329.10	4.30	-46.94
COC(=O)NC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017307458	0	40	-1.0	-50.45	357.36	2.91	-47.54
COC(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(OC)=C1	REAL300017307459	0	40	-1.0	-51.88	344.28	3.95	-47.93
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307460	0	33	-1.0	-49.71	299.00	4.48	-45.23
CC1=CC(C)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017307461	0	38	-1.0	-56.20	316.25	5.00	-51.20
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)CCO1	REAL300017307462	0	38	-1.0	-56.30	330.02	4.70	-51.60
O=C([O-])[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCO1	REAL300017307463	0	36	-1.0	-58.15	307.10	-0.11	-58.26
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C21	REAL300017307464	0	40	-1.0	-53.42	345.39	4.39	-49.03
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CCO1	REAL300017307465	0	35	-1.0	-52.50	314.57	3.60	-48.90
COC1=CC(F)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(F)=C1	REAL300017307466	0	34	-1.0	-52.61	303.56	3.03	-49.58
CCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C)=C1	REAL300017307467	0	40	-1.0	-49.49	320.97	3.95	-45.54
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307468	0	38	-1.0	-54.29	342.15	-0.36	-54.65
CS(=O)(=O)CCS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307469	0	32	-1.0	-60.59	293.01	-1.29	-61.88
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307470	0	39	-1.0	-57.07	333.00	4.93	-52.14
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2OC(F)F)CCO1	REAL300017307471	0	34	-1.0	-49.05	299.28	3.54	-45.51
CSC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307472	0	34	-1.0	-49.33	306.53	4.46	-44.87
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307473	0	42	-1.0	-49.34	364.48	5.82	-43.52
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307474	0	40	-1.0	-53.56	342.99	3.14	-50.42
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CCO1	REAL300017307475	0	36	-1.0	-53.86	328.86	5.16	-48.70
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307476	0	41	-1.0	-50.32	333.56	4.92	-45.40
CCN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)N=C1C	REAL300017307477	0	36	-1.0	-60.12	311.13	3.25	-56.87
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)N=C2Cl)CCO1	REAL300017307478	0	29	-1.0	-47.32	283.23	2.22	-45.10
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=C2OCCO3)CCO1	REAL300017307479	0	36	-1.0	-51.08	302.17	2.99	-48.09
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)CCO1	REAL300017307480	0	35	-1.0	-52.43	297.12	3.90	-48.53
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)CCO1	REAL300017307481	0	42	-1.0	-53.22	359.98	5.41	-47.81
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(F)=C2F)CCO1	REAL300017307482	0	30	-1.0	-57.53	273.94	3.41	-54.12
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Br)=CC=C2F)CCO1	REAL300017307483	0	30	-1.0	-49.42	289.61	4.04	-45.38
CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017307484	0	36	-1.0	-52.36	319.97	4.98	-47.38
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CCO1	REAL300017307485	0	36	-1.0	-55.14	338.37	4.21	-50.93
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C12	REAL300017307486	0	38	-1.0	-53.38	331.98	3.18	-50.20
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=C(Br)C=C2F)CCO1	REAL300017307487	0	33	-1.0	-53.57	316.74	4.82	-48.75
CC1=NOC2=NC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C12	REAL300017307488	0	34	-1.0	-54.65	305.34	0.43	-54.22
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(CCCCl)C=C2)CCO1	REAL300017307489	0	39	-1.0	-51.42	347.88	6.28	-45.14
COCC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307490	0	37	-1.0	-51.63	320.61	3.18	-48.45
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)CCO1	REAL300017307491	0	32	-1.0	-51.14	301.39	4.38	-46.76
COC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300017307492	0	39	-1.0	-57.73	359.11	4.44	-53.29
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307493	0	36	-1.0	-55.79	313.35	5.08	-50.71
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=CC=C2Cl)CCO1	REAL300017307494	0	33	-1.0	-50.84	303.71	4.60	-46.24
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)CCO1	REAL300017307495	0	42	-1.0	-61.14	362.92	1.94	-59.20
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CCO1	REAL300017307496	0	37	-1.0	-52.89	335.33	3.99	-48.90
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Br)=CC=C2Cl)CCO1	REAL300017307497	0	30	-1.0	-48.79	292.36	4.27	-44.52
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CN=C21	REAL300017307498	0	38	-1.0	-53.28	334.89	0.93	-52.35
CCOC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1F	REAL300017307529	0	39	-1.0	-50.27	346.73	5.07	-45.20
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CCO1	REAL300017307530	0	38	-1.0	-57.13	330.58	4.42	-52.71
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC=C2Cl)CCO1	REAL300017307531	0	30	-1.0	-49.23	277.48	3.73	-45.50
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307532	0	49	-1.0	-61.93	393.80	6.74	-55.19
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CCO1	REAL300017307533	0	33	-1.0	-52.05	317.16	5.04	-47.01
N#CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(Cl)=C1	REAL300017307534	0	31	-1.0	-51.90	291.22	4.00	-47.90
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Cl	REAL300017307535	0	37	-1.0	-57.98	337.46	2.88	-55.10
CC1CC2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C2O1	REAL300017307536	0	38	-1.0	-50.32	323.30	4.04	-46.28
COC1=CC(Cl)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Cl	REAL300017307537	0	34	-1.0	-48.09	315.85	3.48	-44.61
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307538	0	42	-1.0	-49.19	315.10	5.95	-43.24
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307539	0	42	-1.0	-57.02	342.23	1.76	-55.26
COC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CS1	REAL300017307540	0	33	-1.0	-56.18	312.85	3.13	-53.05
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307541	0	39	-1.0	-57.75	351.45	6.27	-51.48
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CCO1	REAL300017307542	0	41	-1.0	-49.59	373.47	6.87	-42.72
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CCO1	REAL300017307543	0	36	-1.0	-56.74	332.65	4.12	-52.62
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)CCO1	REAL300017307544	0	36	-1.0	-54.88	348.69	4.67	-50.21
COC(=O)C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1C	REAL300017307545	0	39	-1.0	-51.54	321.72	4.33	-47.21
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)CCO1	REAL300017307546	0	32	-1.0	-50.28	315.09	4.75	-45.53
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307547	0	34	-1.0	-46.74	317.55	4.12	-42.62
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307548	0	42	-1.0	-50.62	343.06	4.03	-46.59
CCOC(=O)N1CCC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	REAL300017307549	0	44	-1.0	-53.26	355.12	3.21	-50.05
CC1=NC(C2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C2)=CO1	REAL300017307550	0	39	-1.0	-52.69	342.73	2.51	-50.18
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)CCO1	REAL300017307551	0	29	-1.0	-47.15	292.62	2.54	-44.61
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3O2)CCO1	REAL300017307552	0	33	-1.0	-55.18	296.00	3.82	-51.36
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3OCOC3=C2)CCO1	REAL300017307553	0	33	-1.0	-50.15	291.59	2.13	-48.02
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C3CCCN23)CCO1	REAL300017307554	0	34	-1.0	-52.51	293.56	2.90	-49.61
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3OCCCC3=C2)CCO1	REAL300017307555	0	38	-1.0	-51.04	319.24	4.09	-46.95
COC1=CC=C(Cl)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307556	0	34	-1.0	-51.63	300.55	2.96	-48.67
COC(=O)C1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300017307557	0	39	-1.0	-56.80	339.80	6.38	-50.42
COC(=O)CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307558	0	39	-1.0	-54.73	343.29	4.89	-49.84
O=C([O-])[C@@H]1CN(S(=O)(=O)C2CC3=CC=CC=C3C2)CCO1	REAL300017307559	0	37	-1.0	-52.17	311.26	5.35	-46.82
CC1=CC=C(N2C=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=N2)C=C1	REAL300017307560	0	40	-1.0	-51.12	348.21	5.23	-45.89
O=C([O-])[C@@H]1CN(S(=O)(=O)[C@@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)CCO1	REAL300017307561	0	48	-1.0	-53.70	403.61	5.49	-48.21
O=C([O-])[C@@H]1CN(S(=O)(=O)[C@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)CCO1	REAL300017307562	0	48	-1.0	-62.50	402.52	5.48	-57.02
O=C([O-])[C@@H]1CN(S(=O)(=O)C2CN(C(=O)OCC3=CC=CC=C3)C2)CCO1	REAL300017307563	0	45	-1.0	-53.23	390.19	4.72	-48.51
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)S1	REAL300017307564	0	32	-1.0	-52.95	304.83	3.84	-49.11
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C21	REAL300017307565	0	41	-1.0	-68.51	344.75	4.52	-63.99
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(Cl)=C2Br)CCO1	REAL300017307566	0	30	-1.0	-48.72	289.81	4.26	-44.46
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C(Br)=C2)CCO1	REAL300017307567	0	30	-1.0	-47.01	301.67	4.54	-42.47
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307568	0	40	-1.0	-52.79	324.42	4.96	-47.83
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1C#N	REAL300017307569	0	34	-1.0	-49.96	305.51	4.36	-45.60
COC(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1F	REAL300017307570	0	36	-1.0	-50.48	324.86	4.16	-46.32
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307571	0	34	-1.0	-48.38	306.35	3.80	-44.58
COC1=CC=C(C)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307572	0	37	-1.0	-54.16	301.40	3.09	-51.07
N#CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Br	REAL300017307573	0	31	-1.0	-51.15	306.04	4.37	-46.78
COC1=CC(C)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Cl	REAL300017307574	0	37	-1.0	-52.70	317.51	3.67	-49.03
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)S1	REAL300017307575	0	36	-1.0	-48.59	343.78	4.36	-44.23
CC(=O)NC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1F	REAL300017307576	0	37	-1.0	-53.66	326.73	2.49	-51.17
COC1=CC(Cl)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1OC	REAL300017307577	0	38	-1.0	-49.24	329.06	2.83	-46.41
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CCO1	REAL300017307578	0	34	-1.0	-52.28	311.02	3.11	-49.17
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)CCO1	REAL300017307579	0	33	-1.0	-47.15	309.87	4.52	-42.63
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C	REAL300017307580	0	41	-1.0	-54.69	357.44	0.43	-54.26
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C2S1	REAL300017307581	0	42	-1.0	-50.97	380.17	6.50	-44.47
N#CCC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307582	0	34	-1.0	-57.28	307.79	4.62	-52.66
COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(Br)=C1	REAL300017307583	0	34	-1.0	-50.86	302.32	3.00	-47.86
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=N1	REAL300017307584	0	35	-1.0	-57.15	323.01	-0.96	-58.11
CC1=CC2=C(C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1)OCO2	REAL300017307585	0	36	-1.0	-52.69	298.03	2.47	-50.22
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307586	0	36	-1.0	-51.12	312.02	4.62	-46.50
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C=C2Cl)CCO1	REAL300017307587	0	30	-1.0	-50.04	287.18	4.12	-45.92
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307588	0	36	-1.0	-47.40	295.83	4.91	-42.49
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC=C2Br)CCO1	REAL300017307589	0	30	-1.0	-48.68	289.89	4.22	-44.46
COC1=CC2=C(C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1)OCC(=O)N2	REAL300017307590	0	40	-1.0	-51.04	340.25	0.52	-50.52
N#CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)S1	REAL300017307591	0	28	-1.0	-50.31	278.75	2.97	-47.34
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=NSN=C32)CCO1	REAL300017307592	0	31	-1.0	-52.99	289.71	1.77	-51.22
COC1=CN=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307593	0	33	-1.0	-50.93	290.15	0.92	-50.01
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(Br)=C2F)CCO1	REAL300017307594	0	30	-1.0	-55.44	288.25	3.96	-51.48
COC(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1OC	REAL300017307595	0	40	-1.0	-52.15	347.61	4.18	-47.97
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307596	0	34	-1.0	-53.44	316.83	0.76	-52.68
CCOC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307597	0	37	-1.0	-53.99	316.90	3.68	-50.31
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=C2O1	REAL300017307598	0	41	-1.0	-54.03	342.53	4.68	-49.35
N#CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300017307599	0	34	-1.0	-52.81	322.21	4.65	-48.16
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307637	0	31	-1.0	-51.02	290.39	3.85	-47.17
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307638	0	34	-1.0	-54.09	292.68	4.20	-49.89
COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300017307639	0	44	-1.0	-54.75	363.48	3.73	-51.02
CC1CC2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300017307640	0	38	-1.0	-52.19	339.28	4.57	-47.62
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017307641	0	35	-1.0	-49.41	309.80	4.64	-44.77
CC1=CC=C(Br)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307642	0	33	-1.0	-50.11	294.59	4.38	-45.73
COC(=O)C1=COC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307643	0	33	-1.0	-54.19	305.47	2.20	-51.99
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=N1	REAL300017307644	0	41	-1.0	-57.86	353.28	4.21	-53.65
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C3C=CSC3=C2)CCO1	REAL300017307645	0	32	-1.0	-52.06	298.22	2.91	-49.15
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307646	0	40	-1.0	-54.66	344.15	4.08	-50.58
COC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)SC=C1	REAL300017307647	0	31	-1.0	-55.36	287.75	1.79	-53.57
CC(=O)NC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1C	REAL300017307648	0	40	-1.0	-59.16	340.14	3.27	-55.89
O=C([O-])[C@@H]1CN(S(=O)(=O)CCCC(F)(F)F)CCO1	REAL300017307649	0	32	-1.0	-53.83	290.50	3.10	-50.73
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=NOC3=CC=CC=C32)CCO1	REAL300017307650	0	35	-1.0	-53.53	313.37	3.48	-50.05
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C3NC(=O)COC3=CC=C2)CCO1	REAL300017307651	0	36	-1.0	-49.71	306.64	1.17	-48.54
CN1CCCC2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C21	REAL300017307652	0	42	-1.0	-52.84	340.17	4.03	-48.81
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CCO1	REAL300017307653	0	32	-1.0	-47.22	301.73	2.74	-44.48
CC1=CC=C(Cl)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307654	0	33	-1.0	-50.25	292.49	4.32	-45.93
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307655	0	38	-1.0	-55.57	320.19	3.92	-51.65
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CN=C1Cl	REAL300017307656	0	32	-1.0	-48.05	296.23	2.66	-45.39
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)CCO1	REAL300017307657	0	36	-1.0	-53.36	316.94	2.52	-50.84
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)CCO1	REAL300017307658	0	29	-1.0	-48.25	286.75	3.22	-45.03
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)S1	REAL300017307659	0	39	-1.0	-49.37	338.58	5.10	-44.27
CC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1C#N	REAL300017307660	0	34	-1.0	-50.14	293.98	3.90	-46.24
COC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC(OC)=C1	REAL300017307661	0	38	-1.0	-53.12	324.57	2.07	-51.05
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307662	0	31	-1.0	-51.39	291.85	4.05	-47.34
CN1C=NC2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C21	REAL300017307663	0	36	-1.0	-55.79	313.86	4.81	-50.98
CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017307664	0	38	-1.0	-54.65	310.48	4.89	-49.76
CCC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1CC	REAL300017307665	0	42	-1.0	-50.69	342.64	6.02	-44.67
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307666	0	38	-1.0	-47.86	317.28	5.53	-42.33
CC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1Cl	REAL300017307667	0	33	-1.0	-50.33	291.44	4.30	-46.03
COC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C(C)O1	REAL300017307668	0	36	-1.0	-46.04	314.31	2.66	-43.38
CC1=C(C)SC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307669	0	33	-1.0	-50.02	298.52	3.85	-46.17
CC1=CC=CC(F)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307670	0	33	-1.0	-50.80	281.25	4.26	-46.54
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307671	0	31	-1.0	-48.05	283.27	1.32	-46.73
CCC1=NC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)S1	REAL300017307672	0	32	-1.0	-50.08	295.60	2.04	-48.04
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CCO1	REAL300017307673	0	36	-1.0	-54.84	301.31	4.90	-49.94
COC(=O)C1=NSC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307674	0	32	-1.0	-58.17	301.02	2.22	-55.95
COC(=O)C1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)SC=N1	REAL300017307675	0	32	-1.0	-58.36	294.63	1.51	-56.85
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC(C)=C1F	REAL300017307676	0	36	-1.0	-48.85	312.58	4.80	-44.05
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)CCO1	REAL300017307677	0	38	-1.0	-64.07	325.14	1.92	-62.15
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)CCO1	REAL300017307678	0	41	-1.0	-49.86	330.33	1.50	-48.36
COC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CN1C	REAL300017307679	0	37	-1.0	-52.96	326.75	3.56	-49.40
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=CC(Cl)=C2)CCO1	REAL300017307680	0	29	-1.0	-48.38	277.33	2.15	-46.23
CC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1F	REAL300017307681	0	33	-1.0	-55.22	287.97	4.00	-51.22
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307682	0	41	-1.0	-49.39	348.80	5.27	-44.12
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC(Cl)=CC=C2F)CCO1	REAL300017307683	0	33	-1.0	-52.79	312.07	4.68	-48.11
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)CCO1	REAL300017307684	0	33	-1.0	-50.64	312.73	4.73	-45.91
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(F)C=CC=C2Cl)CCO1	REAL300017307685	0	30	-1.0	-53.02	280.68	4.22	-48.80
CC1=CC(F)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307686	0	33	-1.0	-51.33	293.40	4.19	-47.14
COC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CN=C1Cl	REAL300017307687	0	33	-1.0	-47.88	306.39	1.41	-46.47
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307688	0	34	-1.0	-54.87	316.19	4.56	-50.31
COC(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=N1	REAL300017307689	0	35	-1.0	-51.59	316.28	2.28	-49.31
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCO1	REAL300017307690	0	29	-1.0	-50.08	283.01	2.84	-47.24
COCC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307691	0	37	-1.0	-50.74	321.40	3.17	-47.57
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307692	0	35	-1.0	-49.94	310.32	3.69	-46.25
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307693	0	36	-1.0	-52.76	337.09	4.63	-48.13
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)CCO1	REAL300017307694	0	33	-1.0	-51.23	302.80	1.16	-50.07
CCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=N1	REAL300017307695	0	36	-1.0	-49.24	314.58	1.07	-48.17
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307696	0	39	-1.0	-61.76	351.36	1.65	-60.11
CC(=O)NC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1F	REAL300017307697	0	37	-1.0	-54.43	327.54	2.47	-51.96
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C21	REAL300017307698	0	44	-1.0	-67.24	358.02	5.07	-62.17
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=C2OCO3)CCO1	REAL300017307699	0	33	-1.0	-52.19	291.67	2.08	-50.11
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307700	0	36	-1.0	-46.71	308.41	4.71	-42.00
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307701	0	40	-1.0	-57.35	350.21	0.79	-56.56
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C2CC1	REAL300017307702	0	47	-1.0	-56.79	378.72	5.44	-51.35
COC(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017307703	0	39	-1.0	-50.01	350.48	4.93	-45.08
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307704	0	39	-1.0	-49.87	331.30	5.58	-44.29
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC3=CC=CC=C32)CCO1	REAL300017307705	0	33	-1.0	-49.93	296.63	4.58	-45.35
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)CCO1	REAL300017307706	0	33	-1.0	-50.91	310.74	5.44	-45.47
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307707	0	44	-1.0	-56.02	377.10	1.66	-54.36
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307708	0	43	-1.0	-51.05	366.13	4.87	-46.18
CCOC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1C	REAL300017307709	0	42	-1.0	-52.72	358.24	5.58	-47.14
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307710	0	42	-1.0	-55.74	364.36	5.81	-49.93
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1OC	REAL300017307711	0	41	-1.0	-51.94	357.66	3.21	-48.73
CCOC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C(F)C=C1C	REAL300017307712	0	42	-1.0	-50.69	360.23	5.46	-45.23
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)CCO1	REAL300017307713	0	36	-1.0	-51.58	327.52	5.47	-46.11
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307714	0	39	-1.0	-54.45	344.92	4.98	-49.47
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CCO1	REAL300017307715	0	40	-1.0	-50.63	340.43	6.84	-43.79
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307716	0	44	-1.0	-54.09	385.48	1.23	-52.86
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=CC=C2Br)CCO1	REAL300017307717	0	33	-1.0	-50.65	306.91	4.72	-45.93
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CN1C	REAL300017307718	0	42	-1.0	-51.61	367.60	4.67	-46.94
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)CCO1	REAL300017307719	0	34	-1.0	-53.55	313.33	4.31	-49.24
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)CCO1	REAL300017307720	0	33	-1.0	-49.66	300.51	4.37	-45.29
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307721	0	32	-1.0	-48.64	284.15	2.42	-46.22
CC1=NC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C(Br)N1C	REAL300017307722	0	33	-1.0	-56.49	306.40	2.86	-53.63
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)CCO1	REAL300017307723	0	31	-1.0	-51.20	288.92	2.31	-48.89
COC(=O)C(C)(C)CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307724	0	38	-1.0	-51.33	314.45	3.38	-47.95
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307725	0	43	-1.0	-56.77	358.07	4.30	-52.47
COC(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(F)=C1	REAL300017307726	0	36	-1.0	-52.17	322.34	4.02	-48.15
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307727	0	41	-1.0	-54.86	361.09	2.81	-52.05
CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300017307728	0	45	-1.0	-50.15	378.47	6.29	-43.86
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307729	0	42	-1.0	-56.62	369.99	2.67	-53.95
COC(=O)C1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCCC1	REAL300017307730	0	42	-1.0	-54.80	340.52	4.60	-50.20
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307731	0	37	-1.0	-49.50	337.38	3.69	-45.81
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300017307732	0	36	-1.0	-48.57	319.97	4.97	-43.60
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCO1	REAL300017307733	0	41	-1.0	-49.80	371.74	6.80	-43.00
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307734	0	39	-1.0	-56.03	342.50	4.90	-51.13
O=C([O-])[C@@H]1CN(S(=O)(=O)CC23CCC(CC2)C3)CCO1	REAL300017307735	0	40	-1.0	-50.61	315.04	4.84	-45.77
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2=CC=CC=C2Br)CCO1	REAL300017307736	0	36	-1.0	-53.64	327.97	5.44	-48.20
COC(=O)C1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCC1	REAL300017307737	0	39	-1.0	-54.10	328.51	3.81	-50.29
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)CCO1	REAL300017307738	0	30	-1.0	-49.35	298.91	3.64	-45.71
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307739	0	43	-1.0	-52.27	375.43	3.83	-48.44
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307740	0	46	-1.0	-51.88	397.29	4.76	-47.12
COC(=O)C1(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CCCCC1	REAL300017307741	0	45	-1.0	-56.50	347.76	5.54	-50.96
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307742	0	38	-1.0	-56.37	336.02	4.42	-51.95
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=N1	REAL300017307743	0	32	-1.0	-60.73	290.32	2.32	-58.41
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNC3=CC=CC=C32)CCO1	REAL300017307744	0	34	-1.0	-53.47	296.93	3.33	-50.14
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1)=C2	REAL300017307745	0	43	-1.0	-56.29	365.37	7.30	-48.99
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=CC(Cl)=C2Br)CCO1	REAL300017307746	0	33	-1.0	-50.06	321.66	5.15	-44.91
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=CC=CC(F)=C2Br)CCO1	REAL300017307747	0	33	-1.0	-50.55	312.53	4.74	-45.81
COC1=CC=C(Br)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1F	REAL300017307748	0	34	-1.0	-56.61	312.47	3.63	-52.98
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307749	0	40	-1.0	-52.81	340.00	5.77	-47.04
CC(C)(CCS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1)C1CC1	REAL300017307750	0	42	-1.0	-51.22	329.81	4.89	-46.33
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=CC=C2Cl)CCO1	REAL300017307751	0	34	-1.0	-49.82	312.47	5.05	-44.77
CC(F)(F)CCCS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307752	0	35	-1.0	-53.50	305.81	3.60	-49.90
O=C([O-])[C@@H]1CN(S(=O)(=O)CCCC2=CC=CC=C2)CCO1	REAL300017307753	0	39	-1.0	-52.03	333.10	5.71	-46.32
CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300017307755	0	34	-1.0	-47.55	295.98	-1.29	-48.84
CCCC1=CC=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307759	0	39	-1.0	-51.51	320.53	6.11	-45.40
O=C([O-])[C@@H]1CN(S(=O)(=O)CC2=NOC3=C2CCCC3)CCO1	REAL300017307760	0	39	-1.0	-52.47	328.50	4.15	-48.32
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC=C2C(F)F)CCO1	REAL300017307761	0	30	-1.0	-51.79	283.76	3.49	-48.30
O=C([O-])[C@@H]1CN(S(=O)(=O)CCC2=CC=CC(F)=C2)CCO1	REAL300017307762	0	36	-1.0	-52.00	317.19	5.03	-46.97
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307763	0	46	-1.0	-51.15	381.95	6.33	-44.82
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)CCO1	REAL300017307764	0	35	-1.0	-60.11	296.70	3.66	-56.45
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C21	REAL300017307765	0	50	-1.0	-60.79	392.21	5.92	-54.87
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307766	0	37	-1.0	-58.37	326.00	3.71	-54.66
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C21	REAL300017307767	0	44	-1.0	-52.52	361.06	3.55	-48.97
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)CCO1	REAL300017307768	0	45	-1.0	-60.36	376.27	6.12	-54.24
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C21	REAL300017307769	0	44	-1.0	-68.71	366.40	5.40	-63.31
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(C3CCC3)N=C2)CCO1	REAL300017307770	0	37	-1.0	-53.32	316.10	3.12	-50.20
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2C2CCC2)CCO1	REAL300017307771	0	37	-1.0	-48.94	312.44	3.28	-45.66
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2CC2CCC2)CCO1	REAL300017307772	0	40	-1.0	-48.17	330.87	4.17	-44.00
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CCO1	REAL300017307780	0	36	-1.0	-50.88	333.08	4.34	-46.54
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)CCO1	REAL300017307781	0	36	-1.0	-51.80	316.27	0.69	-51.11
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Br)C=CO2)CCO1	REAL300017307782	0	27	-1.0	-49.51	266.49	2.15	-47.36
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C3CCCCN32)CCO1	REAL300017307783	0	37	-1.0	-50.39	307.11	3.58	-46.81
COC1=C(F)C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1F	REAL300017307784	0	34	-1.0	-48.59	311.41	3.02	-45.57
COC1=CC(F)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1F	REAL300017307785	0	34	-1.0	-49.94	303.30	2.72	-47.22
CCCCCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300017307786	0	55	-1.0	-49.70	440.00	8.07	-41.63
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C	REAL300017307787	0	46	-1.0	-50.60	361.64	5.05	-45.55
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307788	0	40	-1.0	-51.44	333.79	4.77	-46.67
CC1=CSC(C)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307789	0	33	-1.0	-49.37	286.32	4.07	-45.30
CC1CC2=CC=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=C2O1	REAL300017307790	0	38	-1.0	-55.01	320.95	4.08	-50.93
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)S1	REAL300017307791	0	38	-1.0	-48.87	334.91	3.10	-45.77
N#CC1(C2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300017307792	0	38	-1.0	-51.12	334.57	5.65	-45.47
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307793	0	34	-1.0	-52.74	303.36	4.04	-48.70
CC1=C(Br)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C(C)S1	REAL300017307794	0	33	-1.0	-51.02	303.69	4.56	-46.46
CC1=CC(Cl)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(Br)=C1	REAL300017307795	0	33	-1.0	-51.23	311.24	5.48	-45.75
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C21	REAL300017307796	0	47	-1.0	-65.58	373.57	5.42	-60.16
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CCO1	REAL300017307797	0	36	-1.0	-54.33	318.27	4.05	-50.28
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C21	REAL300017307798	0	44	-1.0	-59.77	365.01	5.08	-54.69
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC=C2Cl)CCO1	REAL300017307799	0	27	-1.0	-48.50	264.65	2.62	-45.88
CN1N=C(Br)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307800	0	30	-1.0	-46.72	286.46	1.63	-45.09
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)CCO1	REAL300017307801	0	32	-1.0	-48.97	299.43	2.61	-46.36
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307802	0	35	-1.0	-60.05	305.75	3.01	-57.04
O=C([O-])[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CCO1	REAL300017307803	0	39	-1.0	-50.28	311.32	3.42	-46.86
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C32)CCO1	REAL300017307804	0	34	-1.0	-51.59	318.20	3.93	-47.66
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=NON=C3C=C2)CCO1	REAL300017307805	0	31	-1.0	-47.44	280.46	2.25	-45.19
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3S2)CCO1	REAL300017307806	0	33	-1.0	-50.71	304.37	4.89	-45.82
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNC3=C(Br)C=CC=C23)CCO1	REAL300017307807	0	34	-1.0	-52.62	317.40	3.86	-48.76
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)CCO1	REAL300017307808	0	33	-1.0	-60.89	309.05	3.08	-57.81
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307809	0	37	-1.0	-49.86	316.48	3.23	-46.63
CC1=CC(C)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C)=C1F	REAL300017307810	0	39	-1.0	-48.12	314.99	5.56	-42.56
COC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1OC	REAL300017307811	0	38	-1.0	-52.25	317.14	3.29	-48.96
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)CCO1	REAL300017307812	0	39	-1.0	-60.18	333.86	0.69	-59.49
N#CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300017307813	0	31	-1.0	-48.23	306.06	4.37	-43.86
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=COC3=CC=CC=C32)CCO1	REAL300017307814	0	33	-1.0	-52.95	292.39	3.60	-49.35
COC1=CC=C(F)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1OC	REAL300017307815	0	38	-1.0	-54.92	325.00	3.76	-51.16
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307816	0	33	-1.0	-50.87	324.87	2.81	-48.06
CN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300017307817	0	43	-1.0	-52.03	346.57	4.06	-47.97
N#CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300017307818	0	34	-1.0	-50.24	316.37	5.39	-44.85
CN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300017307820	0	37	-1.0	-52.54	316.39	3.19	-49.35
O=C([O-])[C@@H]1CN(C(=O)CC2=C(Cl)C=CC=C2Cl)CCO1	REAL300017307821	0	32	-1.0	-53.35	297.55	7.28	-46.07
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)CCO1	REAL300017307822	0	34	-1.0	-50.98	305.58	3.02	-47.96
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNC3=CC=C(Br)C=C32)CCO1	REAL300017307823	0	34	-1.0	-58.55	317.45	3.87	-54.68
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCO1	REAL300017307824	0	33	-1.0	-54.93	295.02	2.66	-52.27
CN1N=NC2=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=CC=C21	REAL300017307825	0	35	-1.0	-58.26	309.71	1.86	-56.40
CC1=CC(C)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Br	REAL300017307827	0	36	-1.0	-51.62	311.42	5.00	-46.62
CC1(C)CCCN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C1	REAL300017307828	0	41	-1.0	-49.07	316.12	3.79	-45.28
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)CCO1	REAL300017307829	0	36	-1.0	-47.91	334.48	4.56	-43.35
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C3C=COC3=C(F)C=C2)CCO1	REAL300017307830	0	33	-1.0	-51.98	293.93	3.60	-48.38
CN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C2CCC2)=N1	REAL300017307831	0	40	-1.0	-52.09	329.68	3.57	-48.52
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307832	0	48	-1.0	-50.64	372.34	6.93	-43.71
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)CCO1	REAL300017307833	0	36	-1.0	-52.40	336.76	5.34	-47.06
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)SC=C2)CCO1	REAL300017307834	0	27	-1.0	-49.59	263.00	2.62	-46.97
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)CCO1	REAL300017307835	0	40	-1.0	-54.08	340.31	4.08	-50.00
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(C3CC3)C=CS2)CCO1	REAL300017307836	0	34	-1.0	-51.22	299.53	4.50	-46.72
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)CCO1	REAL300017307837	0	41	-1.0	-52.19	360.65	6.28	-45.91
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307838	0	43	-1.0	-56.74	356.13	1.84	-54.90
COC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017307839	0	39	-1.0	-61.98	331.10	4.64	-57.34
CCCC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307840	0	39	-1.0	-50.62	330.63	5.63	-44.99
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307841	0	36	-1.0	-53.68	319.26	1.67	-52.01
N#CC1=CC=C(F)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307842	0	31	-1.0	-48.50	280.70	3.44	-45.06
CN1N=C2CCCC2=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307843	0	37	-1.0	-51.07	309.64	2.95	-48.12
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)CCO1	REAL300017307844	0	34	-1.0	-48.57	322.00	4.79	-43.78
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C2C=C1	REAL300017307845	0	42	-1.0	-53.93	366.22	6.37	-47.56
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307846	0	39	-1.0	-49.26	310.69	3.16	-46.10
CC(C)(C)N1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=N1	REAL300017307847	0	39	-1.0	-49.76	330.73	3.15	-46.61
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNN=C2C2CCC2)CCO1	REAL300017307848	0	37	-1.0	-49.89	305.92	2.15	-47.74
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300017307849	0	35	-1.0	-50.71	317.23	3.25	-47.46
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CCO1	REAL300017307850	0	33	-1.0	-47.45	311.05	4.53	-42.92
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(CF)C=C2)CCO1	REAL300017307851	0	33	-1.0	-50.71	294.32	4.26	-46.45
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(C(F)(F)F)SC=C2)CCO1	REAL300017307852	0	30	-1.0	-50.51	289.63	3.83	-46.68
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC(C(F)(F)F)=C2)CCO1	REAL300017307853	0	30	-1.0	-50.47	297.32	3.56	-46.91
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(F)(F)CC2)CCO1	REAL300017307854	0	35	-1.0	-48.44	292.79	2.59	-45.85
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)CCO1	REAL300017307855	0	33	-1.0	-46.91	317.45	4.88	-42.03
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2C(F)F)CCO1	REAL300017307856	0	33	-1.0	-57.68	289.10	4.84	-52.84
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307857	0	41	-1.0	-61.68	350.81	5.46	-56.22
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)CCO1	REAL300017307858	0	41	-1.0	-50.86	334.31	6.54	-44.32
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C21	REAL300017307859	0	40	-1.0	-53.43	345.81	5.15	-48.28
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)CCO1	REAL300017307860	0	36	-1.0	-50.14	327.97	4.48	-45.66
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CC3=CC=CC=C3C2)CCO1	REAL300017307861	0	36	-1.0	-49.70	308.71	3.86	-45.84
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307862	0	35	-1.0	-46.42	320.11	3.97	-42.45
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)CCO1	REAL300017307863	0	39	-1.0	-61.46	340.37	3.39	-58.07
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC=C2C(F)(F)F)CCO1	REAL300017307864	0	30	-1.0	-52.28	288.57	3.71	-48.57
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)CCO1	REAL300017307865	0	37	-1.0	-51.66	314.77	5.57	-46.09
COC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=CS1	REAL300017307866	0	31	-1.0	-49.68	285.72	1.95	-47.73
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)CCO1	REAL300017307867	0	33	-1.0	-51.16	300.41	4.99	-46.17
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307868	0	36	-1.0	-50.62	330.55	3.77	-46.85
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C3CC3)C=C2F)CCO1	REAL300017307869	0	37	-1.0	-54.07	316.88	5.45	-48.62
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2C2CCCC2)CCO1	REAL300017307870	0	40	-1.0	-48.58	329.68	3.99	-44.59
CCC(C)N1N=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307871	0	39	-1.0	-48.60	325.34	3.33	-45.27
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307872	0	39	-1.0	-54.29	337.28	1.00	-53.29
CS(=O)(=O)C1=CSC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307873	0	33	-1.0	-56.57	320.17	-0.08	-56.65
CN(C1CCCCCC1)S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307874	0	44	-1.0	-48.94	335.35	4.37	-44.57
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307875	0	34	-1.0	-46.07	302.16	3.39	-42.68
CN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300017307876	0	44	-1.0	-51.67	361.89	2.47	-49.20
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307877	0	36	-1.0	-52.39	318.77	4.99	-47.40
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)CCO1	REAL300017307878	0	34	-1.0	-51.49	304.80	3.04	-48.45
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CCO1	REAL300017307879	0	45	-1.0	-50.76	361.56	6.09	-44.67
COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)S1	REAL300017307880	0	31	-1.0	-49.92	290.03	1.88	-48.04
CC1=CC(C)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300017307881	0	41	-1.0	-56.95	328.76	5.44	-51.51
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)CCO1	REAL300017307882	0	38	-1.0	-51.13	321.58	3.54	-47.59
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(CCF)N=C2)CCO1	REAL300017307883	0	33	-1.0	-50.55	298.22	2.16	-48.39
CCOCC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307884	0	40	-1.0	-51.66	342.47	4.15	-47.51
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307887	0	40	-1.0	-50.24	344.88	4.68	-45.56
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)CCO1	REAL300017307888	0	43	-1.0	-48.94	352.63	4.38	-44.56
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)CCO1	REAL300017307889	0	41	-1.0	-50.84	356.73	6.36	-44.48
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2CF)CCO1	REAL300017307890	0	33	-1.0	-52.83	288.20	4.59	-48.24
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC(C)=C1Br	REAL300017307891	0	36	-1.0	-48.92	323.25	5.21	-43.71
CCN1N=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1Cl	REAL300017307892	0	33	-1.0	-48.17	301.25	2.11	-46.06
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=CC=C2Br)CCO1	REAL300017307893	0	34	-1.0	-49.74	316.49	5.14	-44.60
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1)=C2	REAL300017307894	0	36	-1.0	-50.34	351.41	4.65	-45.69
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CCO1	REAL300017307895	0	30	-1.0	-48.46	296.12	4.34	-44.12
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCO1	REAL300017307896	0	32	-1.0	-48.13	303.24	2.52	-45.61
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)CCO1	REAL300017307897	0	35	-1.0	-60.01	318.83	4.52	-55.49
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)CCO1	REAL300017307898	0	35	-1.0	-60.88	313.61	4.14	-56.74
CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300017307899	0	39	-1.0	-55.15	319.31	6.00	-49.15
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307900	0	34	-1.0	-52.44	317.36	4.44	-48.00
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OCCF)C=C2)CCO1	REAL300017307901	0	37	-1.0	-53.66	324.26	3.81	-49.85
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C21	REAL300017307902	0	44	-1.0	-51.64	369.70	4.94	-46.70
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCO1	REAL300017307903	0	30	-1.0	-53.62	289.65	3.90	-49.72
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)O1	REAL300017307904	0	36	-1.0	-59.86	329.86	-0.28	-60.14
CN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300017307905	0	40	-1.0	-52.91	337.84	4.60	-48.31
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)CCO1	REAL300017307906	0	36	-1.0	-53.55	337.54	0.85	-52.70
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=C(F)C=C2)CCO1	REAL300017307907	0	34	-1.0	-50.70	304.64	4.69	-46.01
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)CCO1	REAL300017307908	0	34	-1.0	-50.01	318.78	5.26	-44.75
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)CCO1	REAL300017307909	0	34	-1.0	-50.19	319.52	5.25	-44.94
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C3CC3)S2)CCO1	REAL300017307910	0	34	-1.0	-49.66	309.40	4.77	-44.89
COC(=O)C1CCCCN1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307911	0	41	-1.0	-58.00	325.81	3.70	-54.30
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C21	REAL300017307912	0	52	-1.0	-50.57	395.10	7.62	-42.95
N#CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017307913	0	33	-1.0	-50.88	311.00	4.28	-46.60
COC1=CC=C(C=C(C)S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307914	0	41	-1.0	-51.12	342.01	4.52	-46.60
COC(=O)C=CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307915	0	40	-1.0	-52.11	353.01	5.34	-46.77
CCOC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=NN1	REAL300017307916	0	36	-1.0	-51.53	326.42	1.25	-50.28
COC1=CSC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1OC	REAL300017307917	0	35	-1.0	-52.97	318.58	1.53	-51.44
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCO[C@H](C(=O)[O-])C1)C2	REAL300017307918	0	47	-1.0	-55.01	328.78	7.60	-47.41
O=C([O-])[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCO1	REAL300017307919	0	42	-1.0	-49.00	326.39	3.87	-45.13
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307920	0	41	-1.0	-52.89	342.39	5.18	-47.71
O=C([O-])[C@@H]1CN(C(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)CCO1	REAL300017307921	0	41	-1.0	-54.66	325.97	9.28	-45.38
O=C([O-])[C@@H]1CN(C(=O)N2CCC(CC3=CC=CC=C3)CC2)CCO1	REAL300017307922	0	47	-1.0	-55.06	356.80	9.12	-45.94
CC(C)(C)OC(=O)N1CCN(C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	REAL300017307923	0	48	-1.0	-45.02	359.44	5.64	-39.38
COC(=O)C1CCN(C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	REAL300017307924	0	40	-1.0	-46.75	313.22	5.55	-41.20
CN(C(=O)N1CCO[C@H](C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300017307925	0	37	-1.0	-52.94	296.69	1.56	-51.38
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307926	0	49	-1.0	-52.78	373.07	6.14	-46.64
COC(=O)C1CN(C(=O)N2CCO[C@H](C(=O)[O-])C2)CCO1	REAL300017307927	0	38	-1.0	-53.92	305.43	3.97	-49.95
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307928	0	34	-1.0	-51.48	315.49	4.55	-46.93
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)CCO1	REAL300017307929	0	34	-1.0	-54.14	315.99	4.41	-49.73
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CCO1	REAL300017307930	0	34	-1.0	-50.64	311.02	3.11	-47.53
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307931	0	36	-1.0	-50.83	307.98	3.35	-47.48
CC(=O)OC1CCN(C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	REAL300017307932	0	40	-1.0	-48.62	314.40	5.79	-42.83
CN1C=CC2=CC(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)=CC=C21	REAL300017307933	0	37	-1.0	-54.16	319.29	5.23	-48.93
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)CCO1	REAL300017307934	0	33	-1.0	-53.47	298.80	4.90	-48.57
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)CCO1	REAL300017307935	0	39	-1.0	-50.92	344.46	3.96	-46.96
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCO1	REAL300017307936	0	27	-1.0	-46.31	290.65	3.55	-42.76
CN1N=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1Cl	REAL300017307937	0	30	-1.0	-50.03	282.19	1.36	-48.67
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307938	0	43	-1.0	-52.16	357.85	5.83	-46.33
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300017307939	0	47	-1.0	-51.69	383.84	5.36	-46.33
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)CCO1	REAL300017307940	0	33	-1.0	-47.33	321.83	4.87	-42.46
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)CCO1	REAL300017307941	0	35	-1.0	-51.21	317.77	4.08	-47.13
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307942	0	38	-1.0	-54.23	322.71	2.95	-51.28
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CCO1	REAL300017307943	0	41	-1.0	-54.75	354.23	6.29	-48.46
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307944	0	36	-1.0	-58.72	305.98	5.36	-53.36
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)CCO1	REAL300017307945	0	35	-1.0	-56.48	320.44	2.04	-54.44
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)CCO1	REAL300017307946	0	31	-1.0	-50.74	306.43	2.26	-48.48
CC(=O)OC1CCCN(C(=O)N2CCO[C@H](C(=O)[O-])C2)C1	REAL300017307947	0	40	-1.0	-62.76	314.60	5.80	-56.96
COCN1N=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307948	0	34	-1.0	-50.05	298.66	-0.31	-50.36
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307949	0	32	-1.0	-50.46	284.32	2.45	-48.01
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307950	0	41	-1.0	-51.16	349.21	5.08	-46.08
CCN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300017307951	0	40	-1.0	-52.31	338.02	4.07	-48.24
CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300017307952	0	34	-1.0	-52.51	298.81	2.55	-49.96
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CCO1	REAL300017307953	0	36	-1.0	-50.85	328.18	6.24	-44.61
CC(=O)OC1CCN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C1	REAL300017307954	0	38	-1.0	-53.00	325.62	2.63	-50.37
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)CCO1	REAL300017307955	0	40	-1.0	-50.16	356.50	7.40	-42.76
CCC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300017307956	0	36	-1.0	-48.52	324.58	5.33	-43.19
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307957	0	43	-1.0	-48.86	351.67	4.58	-44.28
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CS2)CCO1	REAL300017307958	0	27	-1.0	-47.12	275.04	2.93	-44.19
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307959	0	44	-1.0	-51.18	366.20	3.78	-47.40
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CCO1	REAL300017307960	0	36	-1.0	-53.98	316.12	5.88	-48.10
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307961	0	38	-1.0	-49.71	315.72	1.14	-48.57
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2C2CC2)CCO1	REAL300017307962	0	37	-1.0	-51.97	296.95	4.99	-46.98
CC1(C)CCN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	REAL300017307963	0	41	-1.0	-48.87	315.79	3.37	-45.50
CC(=O)OCC1CCN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	REAL300017307964	0	44	-1.0	-54.39	361.27	4.20	-50.19
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307965	0	44	-1.0	-61.74	377.02	3.92	-57.82
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCN(CC(F)F)CC2)CCO1	REAL300017307966	0	40	-1.0	-49.21	328.04	1.19	-48.02
COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C)=N1	REAL300017307967	0	36	-1.0	-49.94	299.43	0.48	-49.46
COC1=NC=C(C)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307968	0	36	-1.0	-51.93	309.76	1.28	-50.65
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)CCO1	REAL300017307969	0	45	-1.0	-49.78	368.19	3.82	-45.96
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307970	0	33	-1.0	-49.59	305.02	1.13	-48.46
COC1=NC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C	REAL300017307971	0	36	-1.0	-49.43	312.86	0.87	-48.56
CC(C)CN1C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=N1	REAL300017307972	0	39	-1.0	-54.13	332.98	3.56	-50.57
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307973	0	39	-1.0	-51.76	324.97	3.03	-48.73
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)CCO1	REAL300017307974	0	29	-1.0	-46.44	293.56	1.41	-45.03
N#CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)SC=C1	REAL300017307975	0	28	-1.0	-54.14	277.64	2.89	-51.25
O=C([O-])[C@@H]1CN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)CCO1	REAL300017307976	0	34	-1.0	-47.91	329.20	5.57	-42.34
CC(C)N1N=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307977	0	36	-1.0	-49.41	307.16	2.71	-46.70
COC(=O)C1=NC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C	REAL300017307978	0	38	-1.0	-49.68	332.32	2.82	-46.86
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307979	0	33	-1.0	-58.18	300.05	5.48	-52.70
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2CC2CC2)CCO1	REAL300017307980	0	37	-1.0	-48.93	313.31	3.33	-45.60
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CCO1	REAL300017307981	0	37	-1.0	-51.61	321.08	4.61	-47.00
COC1=NOC(CS(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307982	0	33	-1.0	-52.40	298.06	-0.27	-52.67
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC3=CC=CN=C32)CCO1	REAL300017307983	0	35	-1.0	-59.01	300.66	3.83	-55.18
CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=NN1C(C)C	REAL300017307984	0	39	-1.0	-54.88	323.99	3.09	-51.79
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)CCO1	REAL300017307985	0	37	-1.0	-53.49	327.05	5.69	-47.80
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CN=CC(C(F)F)=C2)CCO1	REAL300017307986	0	32	-1.0	-54.20	294.78	2.56	-51.64
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307987	0	44	-1.0	-50.69	375.91	7.01	-43.68
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)CCO1	REAL300017307988	0	37	-1.0	-53.74	326.19	5.63	-48.11
O=C([O-])[C@@H]1CN(C(=O)N2CCC(C(F)(F)F)CC2)CCO1	REAL300017307989	0	37	-1.0	-44.32	296.00	5.84	-38.48
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)CCO1	REAL300017307990	0	34	-1.0	-51.57	313.64	3.83	-47.74
O=C([O-])[C@@H]1CN(C(=O)N2CC=C(Br)CC2)CCO1	REAL300017307991	0	32	-1.0	-43.21	271.49	5.48	-37.73
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(C(F)F)=CC=C2F)CCO1	REAL300017307992	0	33	-1.0	-55.93	302.48	4.34	-51.59
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307993	0	38	-1.0	-56.48	321.81	-0.85	-57.33
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CC3CCC(C2)O3)CCO1	REAL300017307994	0	37	-1.0	-48.56	297.72	1.53	-47.03
N#CC1CCN(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)CC1	REAL300017307995	0	36	-1.0	-54.87	304.35	2.91	-51.96
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)CCO1	REAL300017307997	0	37	-1.0	-49.49	315.19	5.69	-43.80
CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(Cl)=C1Cl	REAL300017307998	0	33	-1.0	-48.97	305.01	4.70	-44.27
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)CCO1	REAL300017307999	0	34	-1.0	-52.51	313.61	3.14	-49.37
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)CCO1	REAL300017308000	0	37	-1.0	-51.14	333.53	4.51	-46.63
CC1=CC=C(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1F	REAL300017308403	0	40	-1.0	-43.14	331.62	5.51	-37.63
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300017308404	0	38	-1.0	-44.76	325.07	5.23	-39.53
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC(F)=C1F	REAL300017308405	0	40	-1.0	-41.69	342.47	5.03	-36.66
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017308406	0	46	-1.0	-44.17	360.57	5.67	-38.50
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017308407	0	52	-1.0	-39.62	360.46	6.44	-33.18
CC1=NC2=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300017308408	0	42	-1.0	-47.86	328.83	6.01	-41.85
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017308409	0	42	-1.0	-47.24	339.50	6.32	-40.92
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017308410	0	45	-1.0	-43.65	360.61	2.51	-41.14
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308411	0	48	-1.0	-42.00	397.16	5.79	-36.21
CCCN1C=NC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308412	0	40	-1.0	-48.23	319.40	6.16	-42.07
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017308413	0	35	-1.0	-36.61	315.98	5.07	-31.54
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C#N)SC=C1	REAL300017308414	0	32	-1.0	-39.31	277.22	3.18	-36.13
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1CCC(F)CC1	REAL300017308415	0	43	-1.0	-43.37	328.31	5.14	-38.23
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300017308416	0	37	-1.0	-39.81	312.30	5.37	-34.44
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017308417	0	40	-1.0	-46.11	324.92	5.26	-40.85
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C2)=N1	REAL300017308418	0	43	-1.0	-43.77	363.05	5.75	-38.02
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1F	REAL300017308419	0	40	-1.0	-53.60	360.48	5.33	-48.27
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308420	0	43	-1.0	-60.32	353.94	6.00	-54.32
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308421	0	40	-1.0	-41.60	338.49	5.78	-35.82
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017308422	0	37	-1.0	-41.51	318.67	5.52	-35.99
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017308423	0	34	-1.0	-38.54	320.69	5.11	-33.43
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308424	0	41	-1.0	-50.69	332.80	1.73	-48.96
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308425	0	59	-1.0	-42.54	463.11	8.99	-33.55
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308426	0	49	-1.0	-52.49	392.70	6.40	-46.09
CCC1CCN(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)CC1	REAL300017308427	0	45	-1.0	-40.90	318.53	4.43	-36.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017308428	0	40	-1.0	-40.26	325.87	5.99	-34.27
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1F	REAL300017308429	0	40	-1.0	-43.88	331.92	5.55	-38.33
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017308430	0	40	-1.0	-42.70	339.02	5.88	-36.82
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308431	0	38	-1.0	-40.71	325.35	4.99	-35.72
COC1=CC2=C(C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(=O)NCCC2	REAL300017308432	0	49	-1.0	-50.27	385.16	3.33	-46.94
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S2)C1	REAL300017308433	0	45	-1.0	-43.97	373.13	4.52	-39.45
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)SC2=CC=C(C#N)C=C12	REAL300017308434	0	41	-1.0	-42.61	341.76	6.88	-35.73
COC1CCN(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)CC1	REAL300017308435	0	43	-1.0	-38.85	324.24	2.97	-35.88
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017308436	0	37	-1.0	-41.33	321.90	5.63	-35.70
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308437	0	47	-1.0	-45.26	368.00	5.96	-39.30
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC(C)CC(F)(F)F	REAL300017308438	0	39	-1.0	-38.30	316.49	4.26	-34.04
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017308439	0	41	-1.0	-48.34	338.21	6.22	-42.12
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C2)=N1	REAL300017308440	0	46	-1.0	-43.41	366.51	3.96	-39.45
COC1=CC(F)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308441	0	38	-1.0	-54.89	307.39	4.60	-50.29
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)O1	REAL300017308442	0	40	-1.0	-44.00	335.87	3.73	-40.27
CCC1=NC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CN1CC1CC1	REAL300017308443	0	47	-1.0	-51.19	369.55	7.43	-43.76
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C2C1	REAL300017308444	0	45	-1.0	-46.89	366.07	4.46	-42.43
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017308445	0	37	-1.0	-44.19	323.35	3.60	-40.59
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017308446	0	37	-1.0	-48.95	326.06	4.03	-44.92
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300017308447	0	53	-1.0	-42.91	407.94	7.28	-35.63
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300017308448	0	42	-1.0	-45.53	337.80	6.61	-38.92
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300017308449	0	41	-1.0	-44.04	327.51	3.80	-40.24
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017308450	0	47	-1.0	-43.95	380.11	6.83	-37.12
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017308451	0	48	-1.0	-43.91	400.13	7.34	-36.57
COC(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C1=CC=C(F)C=C1	REAL300017308452	0	44	-1.0	-41.33	346.20	5.57	-35.76
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017308453	0	46	-1.0	-45.15	360.75	5.71	-39.44
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300017308454	0	42	-1.0	-44.58	364.52	2.88	-41.70
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=CC=C12	REAL300017308455	0	46	-1.0	-44.65	365.94	6.98	-37.67
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300017308456	0	45	-1.0	-44.39	361.29	3.35	-41.04
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C(F)F)CCCC1	REAL300017308457	0	43	-1.0	-38.53	329.14	5.29	-33.24
CCOC1(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)CCOCC1	REAL300017308458	0	48	-1.0	-41.25	358.42	2.74	-38.51
CCOC(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C1CC1	REAL300017308459	0	44	-1.0	-41.29	338.66	4.55	-36.74
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1F	REAL300017308460	0	40	-1.0	-43.03	334.64	4.81	-38.22
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C(Cl)C=C21	REAL300017308461	0	45	-1.0	-56.81	372.69	5.57	-51.24
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300017308462	0	37	-1.0	-41.14	324.83	2.75	-38.39
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017308463	0	45	-1.0	-43.71	376.98	8.51	-35.20
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308464	0	37	-1.0	-36.13	315.59	5.52	-30.61
CC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1Br	REAL300017308465	0	37	-1.0	-40.79	308.90	5.64	-35.15
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308466	0	40	-1.0	-46.14	330.13	5.62	-40.52
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017308467	0	42	-1.0	-44.68	341.53	1.78	-42.90
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308468	0	38	-1.0	-41.34	327.61	4.19	-37.15
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300017308469	0	40	-1.0	-42.54	338.33	4.80	-37.74
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308470	0	40	-1.0	-37.38	328.58	6.10	-31.28
COCCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=N1	REAL300017308471	0	41	-1.0	-45.00	343.19	1.59	-43.41
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308472	0	47	-1.0	-44.27	364.68	5.56	-38.71
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017308473	0	41	-1.0	-45.85	347.18	4.60	-41.25
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017308474	0	42	-1.0	-41.50	348.52	6.45	-35.05
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017308475	0	34	-1.0	-38.51	309.66	4.65	-33.86
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017308476	0	37	-1.0	-42.98	316.62	4.90	-38.08
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017308477	0	41	-1.0	-54.40	340.26	2.24	-52.16
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C21	REAL300017308478	0	43	-1.0	-43.04	358.55	4.95	-38.09
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308479	0	37	-1.0	-39.35	306.88	5.39	-33.96
COCC1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308480	0	41	-1.0	-42.53	320.66	4.24	-38.29
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1Br	REAL300017308481	0	38	-1.0	-40.84	326.40	4.20	-36.64
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017308482	0	37	-1.0	-49.80	336.42	1.19	-48.61
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017308483	0	37	-1.0	-42.72	327.45	3.03	-39.69
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017308484	0	45	-1.0	-44.45	353.93	5.49	-38.96
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300017308485	0	42	-1.0	-45.87	355.23	0.97	-44.90
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1F	REAL300017308486	0	45	-1.0	-45.16	376.36	2.04	-43.12
CCC(=O)NCC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1OC	REAL300017308487	0	51	-1.0	-46.61	407.68	3.44	-43.17
CCC1=CC=C(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308488	0	43	-1.0	-43.25	347.74	6.17	-37.08
COC1=CC=C(Br)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308489	0	38	-1.0	-41.10	321.49	4.24	-36.86
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017308490	0	49	-1.0	-45.50	390.23	4.67	-40.83
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308491	0	43	-1.0	-53.47	358.65	2.64	-50.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017308492	0	36	-1.0	-40.64	325.11	4.19	-36.45
CC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1Br	REAL300017308493	0	39	-1.0	-41.25	334.61	5.49	-35.76
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308494	0	39	-1.0	-65.64	328.30	5.64	-60.00
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300017308495	0	35	-1.0	-37.69	317.70	5.37	-32.32
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Br	REAL300017308496	0	41	-1.0	-41.01	348.24	5.13	-35.88
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017308497	0	48	-1.0	-42.44	398.34	3.44	-39.00
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017308498	0	37	-1.0	-48.54	315.22	4.75	-43.79
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308499	0	47	-1.0	-43.58	386.16	6.20	-37.38
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCOC(C)(C)C1	REAL300017308500	0	43	-1.0	-41.06	319.82	2.97	-38.09
COC1=C(C)C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300017308501	0	44	-1.0	-44.73	356.24	4.88	-39.85
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308502	0	50	-1.0	-42.65	394.74	6.38	-36.27
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017308503	0	48	-1.0	-43.56	376.80	6.27	-37.29
CC(C)COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308504	0	47	-1.0	-42.76	375.77	5.78	-36.98
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308505	0	44	-1.0	-42.76	355.67	5.08	-37.68
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300017308506	0	38	-1.0	-41.07	321.99	4.10	-36.97
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017308507	0	38	-1.0	-42.82	330.66	4.49	-38.33
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300017308508	0	41	-1.0	-42.90	326.34	4.33	-38.57
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300017308509	0	47	-1.0	-43.44	366.43	5.89	-37.55
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300017308510	0	41	-1.0	-42.60	324.03	4.09	-38.51
COCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308511	0	45	-1.0	-46.05	367.80	3.55	-42.50
COCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300017308512	0	48	-1.0	-46.02	381.87	4.52	-41.50
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1F	REAL300017308513	0	37	-1.0	-47.18	310.21	4.83	-42.35
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308514	0	45	-1.0	-50.26	367.24	3.90	-46.36
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017308515	0	49	-1.0	-44.23	381.48	3.70	-40.53
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300017308516	0	44	-1.0	-56.94	345.53	4.19	-52.75
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(Br)=C1	REAL300017308517	0	37	-1.0	-42.16	317.92	5.33	-36.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300017308518	0	40	-1.0	-64.12	348.06	2.55	-61.57
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308519	0	40	-1.0	-42.17	334.71	6.18	-35.99
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017308520	0	35	-1.0	-39.72	318.83	4.78	-34.94
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308521	0	37	-1.0	-38.01	310.99	5.62	-32.39
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1C	REAL300017308522	0	42	-1.0	-49.12	326.89	7.08	-42.04
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308523	0	40	-1.0	-60.44	342.10	5.68	-54.76
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308524	0	43	-1.0	-48.73	349.72	2.71	-46.02
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300017308525	0	38	-1.0	-40.66	325.26	5.76	-34.90
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300017308526	0	35	-1.0	-37.99	318.85	4.78	-33.21
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308527	0	50	-1.0	-49.82	394.43	5.77	-44.05
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017308528	0	46	-1.0	-48.01	391.67	1.84	-46.17
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308529	0	42	-1.0	-48.54	359.24	0.16	-48.38
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S1	REAL300017308530	0	44	-1.0	-48.03	379.54	2.97	-45.06
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)O1	REAL300017308531	0	37	-1.0	-42.83	316.72	3.29	-39.54
CC1=NC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S1	REAL300017308532	0	36	-1.0	-43.37	308.94	2.66	-40.71
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017308533	1	36	-1.0	-46.80	296.81	5.74	-41.06
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017308534	0	37	-1.0	-38.20	332.62	6.02	-32.18
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C(C)N1	REAL300017308535	0	47	-1.0	-43.67	376.37	4.54	-39.13
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017308536	0	34	-1.0	-42.50	289.93	4.99	-37.51
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S2)=CS1	REAL300017308537	0	40	-1.0	-45.97	362.81	4.63	-41.34
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017308538	0	54	-1.0	-43.60	417.39	7.67	-35.93
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017308539	0	44	-1.0	-46.58	373.76	3.81	-42.77
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308540	0	43	-1.0	-41.57	344.59	5.74	-35.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017308541	0	36	-1.0	-44.60	308.79	6.19	-38.41
COC1=CC(F)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1OC	REAL300017308542	0	42	-1.0	-44.13	334.23	3.37	-40.76
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1OC	REAL300017308543	0	45	-1.0	-42.44	347.41	4.41	-38.03
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017308544	1	36	-1.0	-42.31	320.59	6.87	-35.44
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308545	0	42	-1.0	-62.93	334.41	5.93	-57.00
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017308546	0	37	-1.0	-48.87	321.58	4.92	-43.95
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300017308547	0	39	-1.0	-45.54	325.45	0.16	-45.38
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308548	0	37	-1.0	-38.04	306.43	5.52	-32.52
CCOC(=O)C1CCCN1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308549	0	45	-1.0	-43.49	354.33	4.92	-38.57
CNC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CN1C	REAL300017308550	0	42	-1.0	-47.06	347.40	1.69	-45.37
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300017308551	0	44	-1.0	-43.59	339.41	4.91	-38.68
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017308552	0	42	-1.0	-43.04	338.78	3.69	-39.35
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308553	0	43	-1.0	-42.46	359.66	5.39	-37.07
COC(=O)C1CCN(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)CC1	REAL300017308554	0	45	-1.0	-47.30	335.39	3.84	-43.46
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017308555	0	45	-1.0	-43.51	358.19	4.11	-39.40
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308556	0	43	-1.0	-45.50	353.62	5.65	-39.85
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)O1	REAL300017308557	0	40	-1.0	-43.27	339.64	4.10	-39.17
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308558	0	47	-1.0	-46.40	389.58	5.13	-41.27
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300017308559	0	44	-1.0	-41.37	338.99	5.11	-36.26
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017308560	0	38	-1.0	-44.23	313.96	4.74	-39.49
CCOC(=O)CCCS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308561	0	42	-1.0	-41.94	343.76	4.22	-37.72
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017308562	0	37	-1.0	-40.59	310.00	6.35	-34.24
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017308563	0	36	-1.0	-44.54	313.35	6.28	-38.26
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308564	0	39	-1.0	-49.66	311.79	6.28	-43.38
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017308565	0	36	-1.0	-48.15	317.16	5.96	-42.19
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CS1	REAL300017308566	0	31	-1.0	-40.68	280.52	3.91	-36.77
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017308567	0	38	-1.0	-43.40	316.39	4.27	-39.13
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300017308568	0	42	-1.0	-45.75	328.44	5.22	-40.53
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017308569	0	36	-1.0	-40.82	316.61	3.44	-37.38
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017308570	0	42	-1.0	-56.16	339.07	3.76	-52.40
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017308571	0	33	-1.0	-38.91	294.63	3.36	-35.55
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017308572	0	36	-1.0	-38.56	303.48	4.79	-33.77
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017308573	0	36	-1.0	-38.57	327.21	5.18	-33.39
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308574	0	43	-1.0	-51.41	353.02	3.35	-48.06
CCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300017308575	0	39	-1.0	-53.60	325.62	4.60	-49.00
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017308576	0	36	-1.0	-47.16	306.76	5.55	-41.61
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017308577	0	36	-1.0	-37.19	311.51	5.02	-32.17
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017308578	0	41	-1.0	-41.89	353.74	4.74	-37.15
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017308579	0	36	-1.0	-42.40	313.04	6.26	-36.14
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017308580	0	48	-1.0	-44.91	394.09	7.33	-37.58
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300017308581	0	42	-1.0	-60.15	368.03	0.83	-59.32
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308582	0	42	-1.0	-48.86	339.58	5.50	-43.36
CCOC(=O)N1CCN(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)CC1	REAL300017308583	0	47	-1.0	-40.05	350.84	3.45	-36.60
COC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC=C(Cl)N=C2C=C1	REAL300017308584	0	43	-1.0	-45.54	356.32	5.36	-40.18
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017308585	0	44	-1.0	-44.25	363.69	5.80	-38.45
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017308586	0	37	-1.0	-54.43	310.16	3.16	-51.27
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308587	0	56	-1.0	-39.22	404.26	7.50	-31.72
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300017308588	0	42	-1.0	-47.41	355.97	0.76	-46.65
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300017308589	0	37	-1.0	-41.00	305.21	5.06	-35.94
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300017308590	0	40	-1.0	-42.15	341.88	1.82	-40.33
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300017308591	0	47	-1.0	-45.50	366.41	6.74	-38.76
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308592	0	44	-1.0	-44.38	340.81	6.07	-38.31
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017308593	0	39	-1.0	-47.21	331.00	4.15	-43.06
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017308594	0	41	-1.0	-48.14	338.10	5.34	-42.80
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017308595	0	36	-1.0	-38.46	321.22	5.41	-33.05
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300017308596	0	35	-1.0	-57.74	297.84	4.89	-52.85
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308597	0	48	-1.0	-46.22	389.65	4.52	-41.70
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308598	0	50	-1.0	-42.66	398.67	6.64	-36.02
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017308599	0	36	-1.0	-46.10	304.21	6.28	-39.82
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1F	REAL300017308600	0	40	-1.0	-41.98	335.83	4.90	-37.08
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C(Cl)C=C1Cl	REAL300017308601	0	40	-1.0	-50.88	353.58	6.21	-44.67
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308602	0	44	-1.0	-47.57	352.64	4.97	-42.60
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S1	REAL300017308603	0	40	-1.0	-45.06	352.79	4.66	-40.40
COC(=O)C1=CSC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308604	0	37	-1.0	-45.42	331.32	3.70	-41.72
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308605	0	46	-1.0	-41.90	361.07	6.25	-35.65
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300017308606	0	40	-1.0	-40.91	343.81	5.27	-35.64
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1C	REAL300017308607	0	43	-1.0	-44.96	353.61	5.19	-39.77
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308608	0	40	-1.0	-43.81	341.13	4.71	-39.10
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017308609	0	44	-1.0	-41.59	329.55	6.70	-34.89
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017308610	0	40	-1.0	-45.11	329.52	5.89	-39.22
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300017308611	0	33	-1.0	-39.53	293.16	3.04	-36.49
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017308612	0	38	-1.0	-39.31	338.99	5.45	-33.86
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300017308613	0	39	-1.0	-41.31	312.77	3.58	-37.73
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017308614	0	39	-1.0	-40.63	333.35	-0.57	-41.20
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300017308615	0	48	-1.0	-45.39	389.81	6.23	-39.16
COC(=O)CC1(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)CC1	REAL300017308616	0	43	-1.0	-48.54	346.63	4.47	-44.07
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308617	0	39	-1.0	-45.69	330.39	4.33	-41.36
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C(F)C=C1F	REAL300017308618	0	37	-1.0	-42.54	313.36	4.77	-37.77
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308619	0	41	-1.0	-43.33	337.51	5.47	-37.86
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300017308620	0	46	-1.0	-44.58	366.31	5.91	-38.67
CCCCCCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(=O)NC1=O	REAL300017308621	0	52	-1.0	-55.40	410.48	5.34	-50.06
CC1=CN(C2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C2F)N=C1	REAL300017308622	0	44	-1.0	-44.43	366.36	5.92	-38.51
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S1	REAL300017308623	0	41	-1.0	-42.89	349.18	3.24	-39.65
CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308624	0	41	-1.0	-48.20	344.88	-1.21	-49.41
CC1=CC(F)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1F	REAL300017308625	0	37	-1.0	-40.69	302.03	4.82	-35.87
CC1=CC(Cl)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300017308626	0	39	-1.0	-40.77	324.36	5.75	-35.02
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)O1	REAL300017308627	0	31	-1.0	-40.56	282.61	3.10	-37.46
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300017308628	0	40	-1.0	-46.33	334.47	6.03	-40.30
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017308629	0	31	-1.0	-50.46	299.77	4.97	-45.49
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017308630	0	37	-1.0	-42.01	328.49	5.54	-36.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017308631	0	37	-1.0	-40.88	331.86	6.40	-34.48
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300017308632	0	40	-1.0	-40.11	343.34	7.10	-33.01
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017308633	0	37	-1.0	-41.21	328.05	6.04	-35.17
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017308634	0	40	-1.0	-44.36	318.88	7.04	-37.32
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017308635	0	40	-1.0	-45.11	338.13	6.73	-38.38
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300017308636	0	45	-1.0	-45.01	388.21	2.99	-42.02
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CN1C	REAL300017308637	0	44	-1.0	-45.86	366.53	5.06	-40.80
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C2O1	REAL300017308638	0	48	-1.0	-48.27	396.14	6.22	-42.05
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300017308639	0	40	-1.0	-50.16	347.73	1.53	-48.63
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300017308640	0	43	-1.0	-43.80	364.95	4.03	-39.77
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300017308641	0	47	-1.0	-44.37	390.17	5.64	-38.73
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)SC2=CC=CC(F)=C12	REAL300017308642	0	40	-1.0	-44.82	335.05	6.53	-38.29
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017308643	0	45	-1.0	-46.58	381.10	1.08	-45.50
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017308644	1	35	-1.0	-39.74	310.61	4.69	-35.05
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1N(C)C	REAL300017308645	0	45	-1.0	-43.82	357.45	4.71	-39.11
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)N1C	REAL300017308646	0	34	-1.0	-41.50	300.35	3.00	-38.50
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308647	0	39	-1.0	-35.63	329.25	5.90	-29.73
CSC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300017308648	0	38	-1.0	-40.60	330.60	5.83	-34.77
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300017308649	0	34	-1.0	-44.33	298.57	2.99	-41.34
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300017308650	0	37	-1.0	-59.41	316.55	5.27	-54.14
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017308651	0	46	-1.0	-47.81	381.92	6.47	-41.34
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(N(C)C)=CC=C1Br	REAL300017308652	0	42	-1.0	-42.56	343.47	5.34	-37.22
CC1=NN2C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=NC2=C1Cl	REAL300017308653	0	39	-1.0	-44.32	333.23	3.96	-40.36
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308654	0	40	-1.0	-42.77	334.93	6.15	-36.62
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308655	0	46	-1.0	-46.34	350.88	4.72	-41.62
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C12	REAL300017308656	0	41	-1.0	-43.76	338.16	1.97	-41.79
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1F	REAL300017308657	0	39	-1.0	-42.90	329.92	5.61	-37.29
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308658	0	40	-1.0	-42.85	324.61	5.71	-37.14
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017308659	0	37	-1.0	-54.09	319.60	3.88	-50.21
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017308660	0	37	-1.0	-41.11	338.34	5.88	-35.23
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300017308661	0	42	-1.0	-48.29	358.74	2.82	-45.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017308662	0	33	-1.0	-48.38	310.85	3.32	-45.06
COC(=O)C1CCCCC1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308663	0	46	-1.0	-61.79	346.53	5.38	-56.41
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C2)CC1	REAL300017308664	0	47	-1.0	-46.76	381.17	6.68	-40.08
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300017308665	0	41	-1.0	-49.60	329.81	4.04	-45.56
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300017308666	0	38	-1.0	-46.31	339.92	5.56	-40.75
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017308667	0	40	-1.0	-39.64	345.46	2.33	-37.31
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308668	0	38	-1.0	-40.74	324.58	5.15	-35.59
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017308669	0	43	-1.0	-42.53	347.55	7.64	-34.89
CCC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C(C(=O)OC)O1	REAL300017308670	0	43	-1.0	-41.61	360.91	4.25	-37.36
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017308671	0	51	-1.0	-59.23	389.80	6.20	-53.03
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1F	REAL300017308672	0	41	-1.0	-44.38	323.33	4.21	-40.17
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017308673	0	54	-1.0	-45.10	386.73	5.63	-39.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017308674	0	48	-1.0	-39.29	363.75	4.40	-34.89
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017308675	0	45	-1.0	-42.52	375.20	4.63	-37.89
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308676	0	42	-1.0	-53.81	343.92	6.67	-47.14
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCCC1	REAL300017308677	0	44	-1.0	-39.44	330.12	5.19	-34.25
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C)CCCCC1	REAL300017308678	0	46	-1.0	-40.70	324.88	5.80	-34.90
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017308679	0	43	-1.0	-42.67	332.76	5.58	-37.09
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017308680	0	37	-1.0	-43.94	321.42	2.86	-41.08
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1F	REAL300017308681	0	38	-1.0	-41.43	312.20	3.60	-37.83
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308682	0	45	-1.0	-41.78	365.24	4.70	-37.08
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308683	0	48	-1.0	-44.04	393.60	5.84	-38.20
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308684	0	43	-1.0	-40.05	330.73	5.84	-34.21
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017308685	0	48	-1.0	-42.02	378.60	7.61	-34.41
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C2O1	REAL300017308686	0	49	-1.0	-43.21	399.30	7.06	-36.15
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308687	0	46	-1.0	-41.25	366.01	6.80	-34.45
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017308688	0	34	-1.0	-38.60	300.82	5.08	-33.52
CC1=C(Cl)SC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308689	0	34	-1.0	-38.50	305.46	4.70	-33.80
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300017308690	0	38	-1.0	-43.15	304.75	3.42	-39.73
CC1=CC=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300017308691	0	42	-1.0	-49.52	329.65	7.01	-42.51
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017308692	0	40	-1.0	-41.90	343.81	5.84	-36.06
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300017308693	0	44	-1.0	-38.12	365.38	6.74	-31.38
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308694	0	42	-1.0	-47.25	349.81	2.21	-45.04
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300017308695	0	42	-1.0	-43.99	327.83	4.62	-39.37
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017308696	0	40	-1.0	-44.60	321.75	4.69	-39.91
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017308698	0	37	-1.0	-46.66	316.83	4.92	-41.74
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017308699	0	37	-1.0	-37.25	332.67	5.82	-31.43
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017308700	0	37	-1.0	-38.67	313.29	5.30	-33.37
CC1=CC(Br)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308701	0	37	-1.0	-40.91	318.33	5.65	-35.26
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308702	0	45	-1.0	-42.16	328.35	2.09	-40.07
CSC1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308703	0	38	-1.0	-59.61	310.38	5.51	-54.10
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300017308704	0	45	-1.0	-48.66	356.44	4.32	-44.34
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017308705	0	46	-1.0	-47.59	363.53	4.53	-43.06
COC1=C(F)C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300017308706	0	40	-1.0	-41.84	340.28	5.11	-36.73
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300017308707	0	44	-1.0	-43.76	367.79	3.64	-40.12
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(OC)=C1	REAL300017308708	0	44	-1.0	-55.94	355.72	5.20	-50.74
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308709	0	37	-1.0	-36.22	316.05	5.71	-30.51
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300017308710	0	42	-1.0	-38.09	341.09	6.09	-32.00
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017308711	0	42	-1.0	-53.63	338.69	5.54	-48.09
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017308712	0	40	-1.0	-51.06	322.10	0.89	-50.17
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300017308713	0	44	-1.0	-44.15	357.06	5.20	-38.95
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017308714	0	39	-1.0	-46.33	331.07	4.19	-42.14
COC1=CC(F)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300017308715	0	38	-1.0	-44.14	319.20	3.52	-40.62
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300017308716	0	44	-1.0	-42.01	340.35	5.41	-36.60
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308717	0	42	-1.0	-41.34	353.26	0.43	-40.91
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O	REAL300017308718	0	36	-1.0	-54.76	308.58	-0.74	-55.50
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308719	0	43	-1.0	-48.53	343.98	6.24	-42.29
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017308720	0	38	-1.0	-44.48	319.03	4.51	-39.97
CSC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308721	0	38	-1.0	-43.37	323.00	5.08	-38.29
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308722	0	46	-1.0	-42.23	380.95	6.44	-35.79
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308723	0	44	-1.0	-50.72	359.07	3.75	-46.97
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017308724	0	40	-1.0	-40.60	337.53	5.98	-34.62
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308725	0	45	-1.0	-39.80	343.55	6.50	-33.30
CCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)N=C1C	REAL300017308726	0	40	-1.0	-48.13	323.98	3.96	-44.17
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017308727	0	33	-1.0	-49.15	297.59	3.65	-45.50
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017308728	0	40	-1.0	-57.52	328.57	3.79	-53.73
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017308729	0	39	-1.0	-44.59	311.33	4.57	-40.02
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017308730	0	46	-1.0	-45.96	375.52	5.95	-40.01
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1F	REAL300017308731	0	34	-1.0	-54.91	284.75	4.63	-50.28
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017308732	0	34	-1.0	-38.87	294.66	4.82	-34.05
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300017308733	0	40	-1.0	-42.64	337.06	5.50	-37.14
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017308734	0	40	-1.0	-45.46	356.45	4.75	-40.71
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C12	REAL300017308735	0	42	-1.0	-46.43	341.92	4.07	-42.36
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017308736	0	37	-1.0	-43.03	331.51	5.45	-37.58
CC1=NOC2=NC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C12	REAL300017308737	0	38	-1.0	-44.57	322.46	0.94	-43.63
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017308738	0	43	-1.0	-42.86	364.17	6.84	-36.02
COCC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308739	0	41	-1.0	-42.53	331.56	3.95	-38.58
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017308740	0	36	-1.0	-56.11	319.07	5.82	-50.29
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C(C(=O)OC)S1	REAL300017308741	0	43	-1.0	-42.77	369.37	5.59	-37.18
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308742	0	40	-1.0	-41.68	323.91	5.89	-35.79
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017308743	0	37	-1.0	-45.05	318.11	5.15	-39.90
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017308744	0	46	-1.0	-55.62	379.32	2.58	-53.04
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017308745	0	41	-1.0	-40.29	350.85	4.52	-35.77
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017308746	0	34	-1.0	-38.62	314.74	5.14	-33.48
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017308747	0	42	-1.0	-42.26	345.28	1.75	-40.51
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1F	REAL300017308778	0	43	-1.0	-42.52	363.99	5.66	-36.86
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017308779	0	42	-1.0	-48.44	335.55	5.00	-43.44
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017308780	0	34	-1.0	-54.44	293.75	5.10	-49.34
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308781	0	53	-1.0	-52.69	405.32	7.89	-44.80
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017308782	0	37	-1.0	-45.58	331.89	5.64	-39.94
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017308783	0	35	-1.0	-51.56	319.36	5.09	-46.47
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300017308784	0	41	-1.0	-55.95	350.00	4.23	-51.72
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300017308785	0	42	-1.0	-44.87	339.57	4.57	-40.30
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300017308786	0	38	-1.0	-39.45	338.96	4.37	-35.08
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308787	0	46	-1.0	-40.24	332.46	7.60	-32.64
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308788	0	46	-1.0	-39.31	362.42	3.11	-36.20
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CS1	REAL300017308789	0	37	-1.0	-42.37	330.34	3.74	-38.63
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308790	0	43	-1.0	-41.33	357.02	6.68	-34.65
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017308791	0	45	-1.0	-43.36	382.14	7.53	-35.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017308792	0	40	-1.0	-48.30	344.14	5.00	-43.30
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017308793	0	40	-1.0	-44.67	360.86	5.52	-39.15
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1C	REAL300017308794	0	43	-1.0	-45.86	338.76	5.41	-40.45
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017308795	0	36	-1.0	-37.01	326.40	5.57	-31.44
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308796	0	38	-1.0	-41.40	330.88	5.34	-36.06
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308797	0	46	-1.0	-45.42	358.73	4.57	-40.85
CCOC(=O)N1CCC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)CC1	REAL300017308798	0	48	-1.0	-38.33	360.24	3.94	-34.39
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C2)=CO1	REAL300017308799	0	43	-1.0	-49.29	359.03	3.06	-46.23
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017308800	0	33	-1.0	-38.58	302.46	3.41	-35.17
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017308801	0	37	-1.0	-47.59	313.79	4.52	-43.07
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017308802	0	37	-1.0	-44.78	301.61	3.03	-41.75
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCN12	REAL300017308803	0	38	-1.0	-51.87	294.92	3.61	-48.26
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017308804	0	42	-1.0	-44.14	336.36	4.62	-39.52
COC1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308805	0	38	-1.0	-57.53	316.83	4.33	-53.20
COC(=O)C1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=CC=CC=C2S1	REAL300017308806	0	43	-1.0	-48.30	360.11	6.97	-41.33
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308807	0	43	-1.0	-46.16	359.77	5.50	-40.66
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017308808	0	41	-1.0	-41.50	311.82	5.88	-35.62
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=N2)C=C1	REAL300017308809	0	44	-1.0	-48.35	365.40	5.76	-42.59
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017308810	0	52	-1.0	-58.46	407.99	6.30	-52.16
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017308811	0	52	-1.0	-47.69	406.07	6.08	-41.61
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017308812	0	49	-1.0	-44.19	399.99	5.10	-39.09
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S1	REAL300017308813	0	36	-1.0	-43.51	321.56	4.38	-39.13
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C21	REAL300017308814	0	45	-1.0	-54.49	357.01	5.35	-49.14
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017308815	0	34	-1.0	-40.74	306.74	5.40	-35.34
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017308816	0	34	-1.0	-37.72	312.61	5.31	-32.41
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308817	0	44	-1.0	-44.02	337.29	6.09	-37.93
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1C#N	REAL300017308818	0	38	-1.0	-39.02	315.50	5.25	-33.77
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1F	REAL300017308819	0	40	-1.0	-42.70	341.95	4.67	-38.03
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308820	0	38	-1.0	-42.33	314.68	4.81	-37.52
COC1=CC=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308821	0	41	-1.0	-41.57	319.34	4.39	-37.18
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017308822	0	35	-1.0	-39.68	323.11	4.88	-34.80
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300017308823	0	41	-1.0	-39.29	338.98	4.47	-34.82
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S1	REAL300017308824	0	40	-1.0	-39.43	347.37	5.16	-34.27
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1F	REAL300017308825	0	41	-1.0	-45.58	343.54	3.01	-42.57
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1OC	REAL300017308826	0	42	-1.0	-53.43	357.19	3.91	-49.52
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017308827	0	38	-1.0	-43.23	321.95	3.87	-39.36
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017308828	0	37	-1.0	-39.65	319.73	5.42	-34.23
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C	REAL300017308829	0	45	-1.0	-43.37	369.11	1.24	-42.13
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C2S1	REAL300017308830	0	46	-1.0	-42.14	391.40	7.32	-34.82
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017308831	0	38	-1.0	-41.81	317.65	5.53	-36.28
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(Br)=C1	REAL300017308832	0	38	-1.0	-43.07	325.97	3.97	-39.10
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017308833	0	39	-1.0	-52.74	333.70	-0.15	-52.89
CC1=CC2=C(C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)OCO2	REAL300017308834	0	40	-1.0	-40.56	315.62	3.73	-36.83
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308835	0	40	-1.0	-52.22	323.41	5.95	-46.27
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017308836	0	34	-1.0	-38.57	295.38	5.02	-33.55
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308837	0	40	-1.0	-39.95	316.34	5.69	-34.26
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017308838	0	34	-1.0	-37.42	308.74	5.46	-31.96
COC1=CC2=C(C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)OCC(=O)N2	REAL300017308839	0	44	-1.0	-58.62	364.35	1.17	-57.45
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)S1	REAL300017308840	0	32	-1.0	-38.00	295.54	3.58	-34.42
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017308841	0	35	-1.0	-57.79	298.53	2.74	-55.05
COC1=CN=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308842	0	37	-1.0	-43.24	300.19	1.81	-41.43
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017308843	0	34	-1.0	-44.84	306.87	4.66	-40.18
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1OC	REAL300017308844	0	44	-1.0	-45.23	364.71	4.69	-40.54
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017308845	0	38	-1.0	-43.87	328.07	1.58	-42.29
CCOC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308846	0	41	-1.0	-44.71	327.84	4.45	-40.26
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017308847	0	45	-1.0	-44.79	340.81	5.48	-39.31
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017308848	0	38	-1.0	-40.72	339.45	5.23	-35.49
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017308886	0	35	-1.0	-57.52	309.24	5.13	-52.39
CC1=CC=C(C#N)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308887	0	38	-1.0	-37.24	310.65	5.48	-31.76
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(=O)N(C)C	REAL300017308888	0	48	-1.0	-45.41	380.33	4.20	-41.21
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300017308889	0	42	-1.0	-41.79	350.27	5.35	-36.44
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300017308890	0	39	-1.0	-39.60	319.92	5.56	-34.04
CC1=CC=C(Br)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308891	0	37	-1.0	-41.85	317.90	5.33	-36.52
COC(=O)C1=COC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308892	0	37	-1.0	-46.35	317.11	3.23	-43.12
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=N1	REAL300017308893	0	45	-1.0	-50.84	371.19	4.72	-46.12
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017308894	0	36	-1.0	-45.24	307.63	3.82	-41.42
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308895	0	44	-1.0	-50.16	350.10	4.28	-45.88
COC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)SC=C1	REAL300017308896	0	35	-1.0	-65.64	288.47	2.30	-63.34
CC(=O)NC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1C	REAL300017308897	0	44	-1.0	-56.30	350.75	4.01	-52.29
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCCC(F)(F)F	REAL300017308898	0	36	-1.0	-38.75	306.07	3.66	-35.09
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017308899	0	39	-1.0	-47.97	328.06	4.13	-43.84
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017308900	0	40	-1.0	-42.37	322.16	1.79	-40.58
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017308901	0	46	-1.0	-46.37	350.96	4.79	-41.58
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017308902	0	36	-1.0	-39.61	317.40	3.19	-36.42
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308903	0	37	-1.0	-42.45	314.87	5.18	-37.27
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308904	0	42	-1.0	-49.06	334.89	4.54	-44.52
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CN=C1Cl	REAL300017308905	0	36	-1.0	-42.65	313.37	3.18	-39.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017308906	0	40	-1.0	-43.43	333.95	3.02	-40.41
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017308907	0	33	-1.0	-42.46	304.25	3.83	-38.63
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017308908	0	43	-1.0	-42.80	356.44	5.73	-37.07
CC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1C#N	REAL300017308909	0	38	-1.0	-59.65	311.07	5.34	-54.31
COC1=CC(OC)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308910	0	42	-1.0	-45.77	335.47	2.84	-42.93
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017308911	0	35	-1.0	-56.28	308.16	5.42	-50.86
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017308912	0	40	-1.0	-52.24	325.06	5.61	-46.63
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300017308913	0	42	-1.0	-48.08	332.09	5.70	-42.38
CCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1CC	REAL300017308914	0	46	-1.0	-43.05	353.96	6.86	-36.19
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308915	0	42	-1.0	-39.62	338.20	6.29	-33.33
CC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1Cl	REAL300017308916	0	37	-1.0	-55.89	305.07	5.76	-50.13
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C(C)O1	REAL300017308917	0	40	-1.0	-44.70	323.02	3.67	-41.03
CC1=C(C)SC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308918	0	37	-1.0	-42.76	315.53	4.41	-38.35
CC1=CC=CC(F)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308919	0	37	-1.0	-42.19	302.61	4.96	-37.23
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017308920	0	35	-1.0	-39.30	298.16	1.58	-37.72
CCC1=NC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S1	REAL300017308921	0	36	-1.0	-43.15	313.60	2.68	-40.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017308922	0	40	-1.0	-47.90	326.61	5.83	-42.07
COC(=O)C1=NSC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308923	0	36	-1.0	-46.29	306.46	3.04	-43.25
COC(=O)C1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)SC=N1	REAL300017308924	1	36	-1.0	-50.35	322.73	1.92	-48.43
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC(C)=C1F	REAL300017308925	0	40	-1.0	-41.33	329.66	5.33	-36.00
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017308926	0	42	-1.0	-52.13	336.40	2.73	-49.40
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017308927	0	45	-1.0	-43.30	346.30	2.41	-40.89
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CN1C	REAL300017308928	0	41	-1.0	-50.15	344.92	4.16	-45.99
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017308929	0	33	-1.0	-39.55	288.59	2.93	-36.62
CC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1F	REAL300017308930	0	37	-1.0	-57.03	299.23	5.37	-51.66
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308931	0	45	-1.0	-42.89	365.43	5.89	-37.00
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017308932	0	37	-1.0	-42.25	320.85	5.53	-36.72
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017308933	0	37	-1.0	-38.93	327.45	5.28	-33.65
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017308934	0	34	-1.0	-42.39	285.39	4.98	-37.41
CC1=CC(F)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308935	0	37	-1.0	-42.91	310.48	4.73	-38.18
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CN=C1Cl	REAL300017308936	0	37	-1.0	-42.43	317.39	2.15	-40.28
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017308937	0	38	-1.0	-43.27	324.95	5.41	-37.86
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=N1	REAL300017308938	0	39	-1.0	-42.27	327.60	3.06	-39.21
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017308939	0	33	-1.0	-41.25	298.45	3.38	-37.87
COCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308940	0	41	-1.0	-43.04	337.84	3.79	-39.25
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308941	0	39	-1.0	-55.66	321.78	4.93	-50.73
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308942	0	40	-1.0	-42.70	348.33	5.44	-37.26
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017308943	0	37	-1.0	-40.24	309.67	2.17	-38.07
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=N1	REAL300017308944	0	40	-1.0	-41.89	325.90	1.86	-40.03
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017308945	0	43	-1.0	-53.50	367.79	2.28	-51.22
CC(=O)NC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1F	REAL300017308946	0	41	-1.0	-45.56	337.72	3.39	-42.17
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C21	REAL300017308947	0	48	-1.0	-54.16	369.28	5.88	-48.28
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017308948	0	37	-1.0	-43.14	295.24	3.06	-40.08
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308949	0	40	-1.0	-37.81	328.79	6.06	-31.75
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308950	0	44	-1.0	-46.28	357.24	1.78	-44.50
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C2CC1	REAL300017308951	0	51	-1.0	-49.20	389.95	6.23	-42.97
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300017308952	0	43	-1.0	-41.78	367.53	5.43	-36.35
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308953	0	43	-1.0	-41.98	338.88	6.43	-35.55
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017308954	0	37	-1.0	-42.20	311.27	5.52	-36.68
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017308955	0	37	-1.0	-39.53	319.53	5.81	-33.72
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308956	0	48	-1.0	-53.41	394.19	2.18	-51.23
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308957	0	47	-1.0	-47.54	374.53	5.89	-41.65
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1C	REAL300017308958	0	46	-1.0	-45.24	375.47	6.11	-39.13
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308959	0	46	-1.0	-45.60	381.48	6.35	-39.25
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1OC	REAL300017308960	0	45	-1.0	-48.76	370.65	4.20	-44.56
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C(F)C=C1C	REAL300017308961	0	46	-1.0	-42.74	379.09	6.18	-36.56
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017308962	0	40	-1.0	-41.49	337.03	6.29	-35.20
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308963	0	43	-1.0	-43.07	350.81	5.58	-37.49
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017308964	0	44	-1.0	-45.26	350.69	7.64	-37.62
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308965	0	48	-1.0	-47.96	401.97	1.85	-46.11
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300017308966	0	37	-1.0	-44.72	321.42	5.36	-39.36
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CN1C	REAL300017308967	0	46	-1.0	-47.94	385.63	5.26	-42.68
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017308968	0	38	-1.0	-42.12	322.68	5.13	-36.99
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017308969	0	37	-1.0	-43.97	316.80	4.92	-39.05
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308970	0	36	-1.0	-41.48	306.70	3.31	-38.17
CC1=NC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C(Br)N1C	REAL300017308971	0	37	-1.0	-48.20	313.62	4.75	-43.45
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017308972	0	35	-1.0	-38.87	306.05	2.80	-36.07
COC(=O)C(C)(C)CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308973	0	42	-1.0	-46.52	330.00	3.94	-42.58
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308974	0	47	-1.0	-53.90	370.76	5.30	-48.60
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300017308975	0	40	-1.0	-52.78	345.57	4.86	-47.92
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308976	0	45	-1.0	-49.79	367.08	4.01	-45.78
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(=O)OC(C)C	REAL300017308977	0	49	-1.0	-45.27	395.57	6.81	-38.46
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1	REAL300017308978	0	46	-1.0	-51.44	386.29	3.21	-48.23
COC(=O)C1(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)CCCC1	REAL300017308979	0	46	-1.0	-42.43	354.69	5.05	-37.38
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308980	0	41	-1.0	-41.15	348.68	4.52	-36.63
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300017308981	0	40	-1.0	-39.53	331.26	5.80	-33.73
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017308982	0	45	-1.0	-42.25	387.43	7.35	-34.90
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308983	0	43	-1.0	-44.55	353.44	5.67	-38.88
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300017308984	0	44	-1.0	-41.59	329.80	5.46	-36.13
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300017308985	0	40	-1.0	-42.55	342.54	5.96	-36.59
COC(=O)C1(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)CCC1	REAL300017308986	0	43	-1.0	-42.43	337.46	4.67	-37.76
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017308987	0	34	-1.0	-38.23	315.95	4.27	-33.96
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308988	0	47	-1.0	-46.53	386.72	4.66	-41.87
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308989	0	50	-1.0	-46.55	408.59	5.58	-40.97
COC(=O)C1(CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)CCCCC1	REAL300017308990	0	49	-1.0	-43.10	367.43	5.61	-37.49
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308991	0	42	-1.0	-46.81	351.59	5.09	-41.72
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017308992	1	36	-1.0	-46.51	295.11	2.55	-43.96
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017308993	0	38	-1.0	-45.23	303.11	3.92	-41.31
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300017308994	0	47	-1.0	-48.87	382.59	7.85	-41.02
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017308995	0	37	-1.0	-44.16	336.25	5.81	-38.35
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017308996	0	37	-1.0	-44.76	327.02	5.31	-39.45
COC1=CC=C(Br)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1F	REAL300017308997	0	38	-1.0	-47.44	327.43	4.11	-43.33
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308998	0	44	-1.0	-40.62	355.68	6.33	-34.29
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)CCC(C)(C)C1CC1	REAL300017308999	0	46	-1.0	-40.44	345.31	5.50	-34.94
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017309000	0	38	-1.0	-44.15	331.11	5.72	-38.43
CC1=CC=C(CS(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017311165	0	35	-1.0	-44.54	311.26	5.34	-39.20
CC1=C(Br)C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017311166	0	34	-1.0	-42.20	326.88	5.74	-36.46
COC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC(F)=C1F	REAL300017311167	0	35	-1.0	-44.42	327.69	4.67	-39.75
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C1	REAL300017311168	0	41	-1.0	-47.79	346.26	5.39	-42.40
CC1(C(=O)[O-])CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300017311169	0	47	-1.0	-45.14	351.40	5.51	-39.63
CC1=NC2=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=CC=C2C=C1	REAL300017311170	0	37	-1.0	-54.43	323.87	5.22	-49.21
CC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300017311171	0	37	-1.0	-52.53	325.71	5.80	-46.73
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300017311172	0	40	-1.0	-47.12	341.52	2.39	-44.73
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311173	0	43	-1.0	-44.94	377.32	5.21	-39.73
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=C(C#N)C=C2F)C1	REAL300017311174	0	30	-1.0	-39.67	302.21	4.70	-34.97
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300017311175	0	32	-1.0	-44.09	299.81	4.94	-39.15
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300017311176	0	35	-1.0	-53.05	312.45	4.83	-48.22
CC1=CSC(C2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C2)=N1	REAL300017311177	0	38	-1.0	-45.83	349.25	5.35	-40.48
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1F	REAL300017311178	0	35	-1.0	-48.56	337.97	4.98	-43.58
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311179	0	38	-1.0	-61.26	343.69	5.39	-55.87
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311180	0	35	-1.0	-43.60	318.30	5.73	-37.87
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300017311181	0	32	-1.0	-44.38	304.51	5.14	-39.24
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300017311182	0	29	-1.0	-41.34	300.10	5.06	-36.28
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311183	0	36	-1.0	-53.15	318.00	1.37	-51.78
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311184	0	54	-1.0	-45.52	442.41	8.86	-36.66
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311185	0	44	-1.0	-47.83	372.88	6.23	-41.60
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311186	0	39	-1.0	-45.35	355.34	6.04	-39.31
CC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300017311187	0	35	-1.0	-43.37	312.45	5.48	-37.89
CC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300017311188	0	35	-1.0	-47.15	311.61	5.45	-41.70
CC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300017311189	0	35	-1.0	-45.67	318.66	5.78	-39.89
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311190	0	33	-1.0	-41.43	310.80	4.58	-36.85
COC1=CC2=C(C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1)C(=O)NCCC2	REAL300017311191	0	44	-1.0	-55.35	366.68	2.75	-52.60
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)S2)C1	REAL300017311192	0	40	-1.0	-50.18	354.16	4.29	-45.89
CC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300017311193	0	36	-1.0	-47.67	334.56	6.14	-41.53
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(N)=O)=C(Br)C=C2F)C1	REAL300017311194	0	33	-1.0	-45.20	312.49	1.21	-43.99
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300017311195	0	32	-1.0	-44.07	307.74	5.26	-38.81
CCC(C)OC1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311196	0	42	-1.0	-56.85	353.30	5.54	-51.31
CC(CC(F)(F)F)CS(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311197	0	34	-1.0	-40.37	295.98	4.12	-36.25
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C1	REAL300017311198	0	36	-1.0	-61.03	323.01	5.52	-55.51
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=C2)=N1	REAL300017311199	0	41	-1.0	-47.07	350.55	3.59	-43.48
COC1=CC(F)=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311200	0	33	-1.0	-43.57	290.23	3.98	-39.59
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)O1	REAL300017311201	0	35	-1.0	-48.95	319.54	3.30	-45.65
CCC1=NC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CN1CC1CC1	REAL300017311202	0	42	-1.0	-62.95	361.84	6.01	-56.94
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C2C1	REAL300017311203	0	40	-1.0	-51.44	345.51	4.40	-47.04
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300017311204	0	32	-1.0	-55.50	303.02	3.38	-52.12
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300017311205	0	32	-1.0	-54.92	311.53	3.73	-51.19
CCCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300017311206	0	48	-1.0	-45.55	395.81	6.90	-38.65
CC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300017311207	0	37	-1.0	-47.17	311.85	5.78	-41.39
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300017311208	0	42	-1.0	-45.64	360.79	5.95	-39.69
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300017311209	0	43	-1.0	-47.92	381.82	7.20	-40.72
COC(CS(=O)(=O)N1CC(C)(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300017311210	0	39	-1.0	-44.34	342.60	5.03	-39.31
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C1	REAL300017311211	0	41	-1.0	-47.23	346.28	5.35	-41.88
COC(=O)NC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017311212	0	37	-1.0	-46.43	345.35	2.69	-43.74
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=CC=C12	REAL300017311213	0	41	-1.0	-47.22	349.95	6.44	-40.78
COC(=O)NC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017311214	0	40	-1.0	-49.46	349.04	2.94	-46.52
CC1(C(=O)[O-])CN(S(=O)(=O)CC2(C(F)F)CCCC2)C1	REAL300017311215	0	38	-1.0	-59.56	309.53	5.42	-54.14
CCOC1(CS(=O)(=O)N2CC(C)(C(=O)[O-])C2)CCOCC1	REAL300017311216	0	43	-1.0	-64.03	340.72	2.82	-61.21
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1F	REAL300017311217	0	35	-1.0	-48.69	327.64	4.54	-44.15
CC(=O)N1CCC2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=C(Cl)C=C21	REAL300017311218	0	40	-1.0	-58.29	342.56	5.15	-53.14
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311219	0	32	-1.0	-42.83	301.86	2.20	-40.63
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300017311220	0	40	-1.0	-47.56	364.95	7.95	-39.61
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311221	0	32	-1.0	-42.80	296.20	4.96	-37.84
CC1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1Br	REAL300017311222	0	32	-1.0	-57.86	292.39	5.05	-52.81
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311223	0	35	-1.0	-51.76	312.35	4.86	-46.90
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300017311224	0	37	-1.0	-48.17	322.74	1.81	-46.36
COC1=CC(Br)=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311225	0	33	-1.0	-45.24	312.87	3.85	-41.39
COC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017311226	0	35	-1.0	-45.82	319.87	4.59	-41.23
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311227	0	35	-1.0	-45.37	311.75	5.43	-39.94
COCCN1C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=N1	REAL300017311228	0	36	-1.0	-47.40	324.12	1.46	-45.94
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311229	0	42	-1.0	-48.97	352.26	5.38	-43.59
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300017311230	0	36	-1.0	-49.39	326.43	4.47	-44.92
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1C	REAL300017311231	0	56	-1.0	-48.15	449.60	8.48	-39.67
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017311232	0	43	-1.0	-47.74	384.83	2.27	-45.47
CC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300017311233	0	37	-1.0	-44.63	334.26	6.09	-38.54
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(F)C(Br)=C2)C1	REAL300017311234	0	29	-1.0	-43.80	291.36	4.52	-39.28
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(F)C=C2F)C1	REAL300017311235	0	32	-1.0	-43.96	296.26	4.72	-39.24
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300017311236	0	36	-1.0	-60.16	328.97	1.71	-58.45
CCN1C(=O)OC2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017311237	0	38	-1.0	-49.97	340.29	4.81	-45.16
CC1=C(Br)C=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311238	0	32	-1.0	-55.28	291.12	5.14	-50.14
COC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300017311239	0	33	-1.0	-44.44	314.27	3.81	-40.63
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)SC(S(C)(=O)=O)=C2)C1	REAL300017311240	0	32	-1.0	-51.00	328.84	0.84	-50.16
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300017311241	0	32	-1.0	-50.64	308.32	2.92	-47.72
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C1	REAL300017311242	0	40	-1.0	-56.69	340.58	5.30	-51.39
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C1	REAL300017311243	0	37	-1.0	-49.54	343.31	0.62	-48.92
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)S1	REAL300017311244	0	43	-1.0	-51.63	397.81	1.52	-50.11
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(OC)=C1	REAL300017311245	0	44	-1.0	-49.19	382.49	1.43	-47.76
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)S1	REAL300017311246	0	48	-1.0	-50.77	417.35	4.87	-45.90
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017311247	0	43	-1.0	-48.27	386.27	2.31	-45.96
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)C1	REAL300017311248	0	44	-1.0	-73.22	365.27	4.93	-68.29
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017311249	0	40	-1.0	-48.50	364.77	1.52	-46.98
CCC(=O)NCC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1OC	REAL300017311250	0	46	-1.0	-51.76	395.26	3.02	-48.74
COC1=CC=C(Br)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311251	0	33	-1.0	-44.22	294.60	3.49	-40.73
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300017311252	0	44	-1.0	-48.35	378.10	4.29	-44.06
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311253	0	38	-1.0	-63.22	345.45	2.29	-60.93
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C1	REAL300017311254	0	31	-1.0	-44.31	312.62	3.75	-40.56
CC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300017311255	0	34	-1.0	-45.32	321.13	4.86	-40.46
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311256	0	34	-1.0	-53.08	312.63	4.63	-48.45
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CC(C#N)=C2)C1	REAL300017311257	0	30	-1.0	-41.03	304.20	4.93	-36.10
CCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300017311258	0	36	-1.0	-45.96	336.11	4.74	-41.22
CC1(C(=O)[O-])CN(S(=O)(=O)CCNC(=O)OCC2=CC=CC=C2)C1	REAL300017311259	0	43	-1.0	-66.15	380.51	3.49	-62.66
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=C(F)C=CC=C2F)C1	REAL300017311260	0	32	-1.0	-51.00	295.16	4.69	-46.31
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311261	0	42	-1.0	-46.08	372.75	5.49	-40.59
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)C1	REAL300017311262	0	29	-1.0	-42.57	297.96	5.38	-37.19
COC1=C(C)C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017311263	0	39	-1.0	-45.77	337.88	4.74	-41.03
CC(C)CCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311264	0	45	-1.0	-45.53	373.98	6.26	-39.27
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300017311265	0	43	-1.0	-45.51	359.33	6.07	-39.44
CC(C)COC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311266	0	42	-1.0	-45.77	355.02	5.65	-40.12
CCCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311267	0	39	-1.0	-45.65	334.92	4.95	-40.70
COC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017311268	0	33	-1.0	-46.37	309.88	3.71	-42.66
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300017311269	0	33	-1.0	-46.42	319.64	3.98	-42.44
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300017311270	0	42	-1.0	-45.99	353.68	5.44	-40.55
COCCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311271	0	40	-1.0	-47.41	347.04	3.42	-43.99
COCCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017311272	0	43	-1.0	-47.99	369.38	4.08	-43.91
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311273	0	40	-1.0	-66.11	354.02	3.54	-62.57
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300017311274	0	44	-1.0	-59.78	368.05	3.51	-56.27
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311275	0	39	-1.0	-67.43	335.81	3.69	-63.74
CC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300017311276	0	32	-1.0	-44.19	286.54	4.86	-39.33
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2Cl)C1	REAL300017311277	0	35	-1.0	-54.13	332.18	1.75	-52.38
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311278	0	35	-1.0	-45.96	316.68	5.40	-40.56
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C1	REAL300017311279	0	30	-1.0	-45.33	300.56	4.65	-40.68
CC1=CC(Br)=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311280	0	32	-1.0	-43.42	294.32	5.05	-38.37
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1C	REAL300017311281	0	37	-1.0	-53.78	307.82	6.15	-47.63
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311282	0	35	-1.0	-44.57	318.04	4.75	-39.82
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311283	0	38	-1.0	-54.25	333.71	1.95	-52.30
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)C1	REAL300017311284	0	33	-1.0	-47.53	306.85	5.40	-42.13
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C1	REAL300017311285	0	30	-1.0	-45.90	300.59	4.65	-41.25
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311286	0	45	-1.0	-51.22	373.04	5.66	-45.56
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300017311287	0	41	-1.0	-48.79	373.39	1.71	-47.08
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311288	0	37	-1.0	-51.36	338.68	0.10	-51.26
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)S1	REAL300017311289	0	39	-1.0	-51.52	358.62	2.82	-48.70
COC(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)O1	REAL300017311290	0	32	-1.0	-54.87	302.70	2.84	-52.03
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300017311291	0	31	-1.0	-55.73	285.73	5.23	-50.50
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300017311292	0	32	-1.0	-43.68	320.36	5.65	-38.03
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C(C)N1	REAL300017311293	0	42	-1.0	-48.20	360.28	4.52	-43.68
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300017311294	0	29	-1.0	-48.81	284.01	4.78	-44.03
CC1=NC(C2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)S2)=CS1	REAL300017311295	0	35	-1.0	-45.87	341.97	4.44	-41.43
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300017311296	0	49	-1.0	-56.24	397.71	7.66	-48.58
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C(=O)NCC(F)(F)F)=C2)C1	REAL300017311297	0	39	-1.0	-63.79	360.53	3.45	-60.34
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311298	0	38	-1.0	-49.88	327.68	5.09	-44.79
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C1	REAL300017311299	0	31	-1.0	-48.86	293.25	5.47	-43.39
COC1=CC(F)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300017311300	0	37	-1.0	-47.25	320.45	3.01	-44.24
COC1=CC(C)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300017311301	0	40	-1.0	-47.09	327.69	3.50	-43.59
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300017311302	0	31	-1.0	-47.00	310.73	6.27	-40.73
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311303	0	37	-1.0	-65.76	324.28	5.34	-60.42
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C1	REAL300017311304	0	32	-1.0	-54.25	301.59	4.82	-49.43
CN1C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(N)=O	REAL300017311305	0	34	-1.0	-48.74	304.27	0.07	-48.67
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311306	0	32	-1.0	-43.57	289.76	4.94	-38.63
CCOC(=O)C1CCCN1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311307	0	40	-1.0	-67.71	338.62	4.77	-62.94
CNC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CN1C	REAL300017311308	0	37	-1.0	-48.79	325.91	1.57	-47.22
COC1=CC(C)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C)=C1	REAL300017311309	0	39	-1.0	-46.14	319.21	4.82	-41.32
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(C=C2Cl)CCC(=O)N3)C1	REAL300017311310	0	37	-1.0	-49.92	331.26	3.40	-46.52
COC(=O)C1=CC=C(CS(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311311	0	38	-1.0	-44.69	339.35	5.30	-39.39
COC(=O)C1CCN(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)CC1	REAL300017311312	0	40	-1.0	-49.01	335.79	3.69	-45.32
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C1	REAL300017311313	0	40	-1.0	-48.67	339.83	3.97	-44.70
COC(=O)C1=CC=CC(CS(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311314	0	38	-1.0	-49.28	339.35	5.29	-43.99
CCOC(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)O1	REAL300017311315	0	35	-1.0	-54.66	324.56	3.77	-50.89
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311316	0	42	-1.0	-48.68	368.88	5.00	-43.68
COC1=CC(C)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017311317	0	39	-1.0	-46.00	318.47	4.33	-41.67
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C1	REAL300017311318	0	33	-1.0	-53.70	302.71	4.22	-49.48
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300017311319	0	32	-1.0	-49.36	298.86	5.66	-43.70
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300017311320	0	31	-1.0	-48.61	297.80	5.59	-43.02
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311321	0	34	-1.0	-54.89	290.92	5.61	-49.28
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)C1	REAL300017311322	0	31	-1.0	-40.53	293.31	4.87	-35.66
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300017311323	0	26	-1.0	-45.46	268.55	3.34	-42.12
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=C2COC3=O)C1	REAL300017311324	0	33	-1.0	-55.93	296.63	4.24	-51.69
CC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300017311325	0	37	-1.0	-47.04	314.42	5.23	-41.81
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300017311326	0	31	-1.0	-42.21	296.25	3.27	-38.94
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C1	REAL300017311327	0	37	-1.0	-48.00	321.57	2.99	-45.01
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300017311328	0	28	-1.0	-42.67	280.03	2.79	-39.88
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C1	REAL300017311329	0	31	-1.0	-43.31	290.00	4.47	-38.84
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)C1	REAL300017311330	0	31	-1.0	-43.93	308.76	4.97	-38.96
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311331	0	38	-1.0	-62.18	343.05	2.56	-59.62
CCN1C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300017311332	0	34	-1.0	-53.41	309.43	4.45	-48.96
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300017311333	0	31	-1.0	-63.25	289.57	5.29	-57.96
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C1	REAL300017311334	0	31	-1.0	-41.73	296.69	4.67	-37.06
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300017311335	0	36	-1.0	-45.09	332.99	4.62	-40.47
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300017311336	0	31	-1.0	-49.28	297.67	5.49	-43.79
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300017311337	0	43	-1.0	-47.15	373.34	7.22	-39.93
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2F)C1	REAL300017311338	0	37	-1.0	-48.92	338.97	0.43	-48.49
CCC(=O)C1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311339	0	37	-1.0	-65.96	326.36	5.14	-60.82
CCOC(=O)N1CCN(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)CC1	REAL300017311340	0	42	-1.0	-59.07	351.20	2.61	-56.46
COC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C2=CC=C(Cl)N=C2C=C1	REAL300017311341	0	38	-1.0	-49.93	340.63	5.16	-44.77
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300017311342	0	39	-1.0	-48.85	348.04	5.48	-43.37
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311343	0	51	-1.0	-58.05	404.14	7.00	-51.05
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311344	0	35	-1.0	-44.09	319.65	4.83	-39.26
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C1	REAL300017311345	0	37	-1.0	-51.23	335.64	0.64	-50.59
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(S(=O)(=O)N3CCCC3)=C2)C1	REAL300017311346	0	44	-1.0	-53.35	383.99	3.06	-50.29
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)C1	REAL300017311347	0	35	-1.0	-52.99	329.48	1.40	-51.59
COC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300017311348	0	35	-1.0	-45.61	335.41	4.97	-40.64
CCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300017311349	0	42	-1.0	-48.00	350.01	6.22	-41.78
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311350	0	39	-1.0	-47.73	333.97	5.28	-42.45
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300017311351	0	34	-1.0	-57.39	312.62	4.03	-53.36
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300017311352	0	36	-1.0	-48.19	324.92	4.96	-43.23
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)C1	REAL300017311353	0	31	-1.0	-46.23	308.74	4.98	-41.25
CCOCCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311354	0	43	-1.0	-47.48	368.90	4.39	-43.09
CCCCCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311355	0	45	-1.0	-45.44	377.91	6.51	-38.93
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300017311356	0	31	-1.0	-53.93	293.89	5.76	-48.17
COC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1F	REAL300017311357	0	35	-1.0	-47.08	323.69	4.53	-42.55
COC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300017311358	0	35	-1.0	-43.78	338.67	5.25	-38.53
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311359	0	39	-1.0	-47.69	338.61	4.57	-43.12
COC(=O)CC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)S1	REAL300017311360	0	35	-1.0	-48.49	331.89	4.49	-44.00
COC(=O)C1=CSC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311361	0	32	-1.0	-46.45	310.12	3.60	-42.85
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311362	0	41	-1.0	-49.32	344.67	5.62	-43.70
COC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300017311363	0	35	-1.0	-46.00	331.67	4.88	-41.12
COC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1C	REAL300017311364	0	38	-1.0	-46.75	335.14	5.02	-41.73
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311365	0	35	-1.0	-46.53	316.38	4.44	-42.09
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300017311366	0	39	-1.0	-45.07	312.80	6.19	-38.88
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300017311367	0	35	-1.0	-48.59	309.16	5.73	-42.86
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300017311368	0	28	-1.0	-42.94	278.40	2.73	-40.21
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300017311369	0	33	-1.0	-42.80	318.45	5.39	-37.41
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)C1	REAL300017311370	0	34	-1.0	-44.18	312.73	-0.60	-44.78
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C2S1	REAL300017311371	0	43	-1.0	-46.26	377.33	5.79	-40.47
COC(=O)CC1(CS(=O)(=O)N2CC(C)(C(=O)[O-])C2)CC1	REAL300017311372	0	38	-1.0	-60.33	328.56	4.60	-55.73
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311373	0	34	-1.0	-48.96	315.79	3.51	-45.45
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C(F)C=C1F	REAL300017311374	0	32	-1.0	-54.52	295.22	4.80	-49.72
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311375	0	36	-1.0	-44.54	323.17	5.11	-39.43
CC(C)N1N=CC2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017311376	0	41	-1.0	-47.76	355.06	5.37	-42.39
CCCCCCN1C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(=O)NC1=O	REAL300017311377	0	47	-1.0	-53.66	400.46	4.59	-49.07
CC1=CN(C2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C2F)N=C1	REAL300017311378	0	39	-1.0	-50.85	348.96	5.89	-44.96
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)S1	REAL300017311379	0	36	-1.0	-58.35	338.96	3.90	-54.45
CCS(=O)(=O)NCCS(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311380	0	36	-1.0	-49.46	324.64	-1.34	-50.80
CC1=CC(F)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017311381	0	32	-1.0	-43.84	288.53	4.51	-39.33
CC1=CC(Cl)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017311382	0	34	-1.0	-45.59	315.71	5.40	-40.19
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300017311383	0	26	-1.0	-53.86	267.53	2.78	-51.08
CC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300017311384	0	35	-1.0	-45.50	316.81	4.94	-40.56
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300017311385	0	26	-1.0	-52.35	288.80	4.04	-48.31
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C1	REAL300017311386	0	32	-1.0	-44.93	307.40	5.43	-39.50
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300017311387	0	32	-1.0	-44.84	317.71	5.87	-38.97
CC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300017311388	0	35	-1.0	-45.70	329.05	6.82	-38.88
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C1	REAL300017311389	0	32	-1.0	-56.87	314.95	5.85	-51.02
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C1	REAL300017311390	0	35	-1.0	-49.29	316.03	6.91	-42.38
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300017311391	0	35	-1.0	-51.07	316.53	6.44	-44.63
COC1=CC(Br)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017311392	0	33	-1.0	-41.39	310.60	4.05	-37.34
CN1C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(=O)NCC(F)(F)F	REAL300017311393	0	40	-1.0	-59.01	367.78	3.00	-56.01
CCOC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CN1C	REAL300017311394	0	39	-1.0	-50.53	345.10	4.95	-45.58
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300017311395	0	43	-1.0	-51.36	375.56	6.17	-45.19
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)C(F)=C2)C1	REAL300017311396	0	35	-1.0	-51.08	329.44	1.39	-49.69
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC=C2CS(C)(=O)=O)C1	REAL300017311397	0	38	-1.0	-66.40	353.00	3.91	-62.49
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311398	0	42	-1.0	-50.93	368.62	5.46	-45.47
CC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)SC2=CC=CC(F)=C12	REAL300017311399	0	35	-1.0	-57.64	320.52	6.26	-51.38
CC1(C(=O)[O-])CN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300017311400	0	40	-1.0	-66.67	363.26	1.13	-65.54
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C1	REAL300017311401	0	30	-1.0	-42.54	291.39	4.60	-37.94
CC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1N(C)C	REAL300017311402	0	40	-1.0	-45.88	338.97	4.51	-41.37
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311403	0	34	-1.0	-45.02	313.68	5.48	-39.54
CSC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017311404	0	33	-1.0	-45.84	319.56	5.33	-40.51
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C1	REAL300017311405	0	32	-1.0	-58.66	300.48	4.43	-54.23
CC1(C(=O)[O-])CN(S(=O)(=O)CCC(=O)OCC2=CC=CC=C2)C1	REAL300017311406	0	41	-1.0	-50.42	361.86	6.41	-44.01
CN(C)C1=CC=C(Br)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311407	0	37	-1.0	-45.46	316.61	4.59	-40.87
CC1=NN2C=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=NC2=C1Cl	REAL300017311408	0	34	-1.0	-45.86	325.35	3.82	-42.04
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311409	0	35	-1.0	-49.28	319.74	5.38	-43.90
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311410	0	41	-1.0	-48.80	336.51	4.26	-44.54
CCC1=NOC2=NC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C12	REAL300017311411	0	36	-1.0	-54.49	324.27	1.75	-52.74
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1F	REAL300017311412	0	34	-1.0	-44.56	315.12	5.25	-39.31
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300017311413	0	35	-1.0	-45.42	331.54	6.73	-38.69
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311414	0	35	-1.0	-49.32	309.40	4.94	-44.38
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C1	REAL300017311415	0	32	-1.0	-59.98	295.57	3.55	-56.43
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(Cl)C=C2Br)C1	REAL300017311416	0	32	-1.0	-42.59	317.97	5.70	-36.89
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311417	1	44	-1.0	-51.71	379.11	1.25	-50.46
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC(N)=O)C1	REAL300017311418	0	37	-1.0	-57.91	346.01	2.20	-55.71
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300017311419	0	28	-1.0	-42.21	283.97	2.83	-39.38
COC(=O)C1CCCCC1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311420	0	41	-1.0	-52.68	329.70	5.46	-47.22
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300017311421	0	42	-1.0	-49.03	360.42	6.56	-42.47
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(Cl)C=C2C#N)C1	REAL300017311422	0	33	-1.0	-46.59	319.71	5.38	-41.21
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300017311423	0	35	-1.0	-44.90	332.97	1.93	-42.97
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311424	0	33	-1.0	-41.66	310.80	4.58	-37.08
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300017311425	0	38	-1.0	-45.83	327.98	6.78	-39.05
CCC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C(C(=O)OC)O1	REAL300017311426	0	38	-1.0	-45.53	338.40	4.00	-41.53
CC1(C(=O)[O-])CN(S(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)C1	REAL300017311427	0	46	-1.0	-63.44	378.76	6.08	-57.36
COC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C)=C1F	REAL300017311428	0	36	-1.0	-47.48	301.11	3.69	-43.79
CC1(C(=O)[O-])CN(S(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C1	REAL300017311429	0	49	-1.0	-53.73	377.20	5.41	-48.32
CC1(C(=O)[O-])CN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1	REAL300017311430	0	43	-1.0	-42.15	349.32	3.97	-38.18
CC1(C(=O)[O-])CN(S(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)C1	REAL300017311431	0	40	-1.0	-42.31	356.79	4.56	-37.75
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311432	0	37	-1.0	-48.17	330.90	5.49	-42.68
CC1(C(=O)[O-])CN(S(=O)(=O)CC2(C#N)CCCCC2)C1	REAL300017311433	0	39	-1.0	-44.16	315.86	4.81	-39.35
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300017311434	0	38	-1.0	-49.71	321.19	5.33	-44.38
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)C1	REAL300017311435	0	44	-1.0	-50.47	384.66	5.24	-45.23
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300017311436	0	32	-1.0	-48.66	303.44	2.71	-45.95
COC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1F	REAL300017311437	0	33	-1.0	-45.00	300.08	3.23	-41.77
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311438	0	40	-1.0	-47.44	342.13	4.29	-43.15
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311439	0	43	-1.0	-44.31	369.92	5.21	-39.10
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300017311440	0	43	-1.0	-44.00	369.57	7.44	-36.56
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)C1	REAL300017311441	0	29	-1.0	-41.20	304.13	5.03	-36.17
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300017311442	0	44	-1.0	-46.63	388.06	6.52	-40.11
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311443	0	41	-1.0	-49.57	349.55	6.02	-43.55
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300017311444	0	29	-1.0	-43.56	293.58	4.81	-38.75
CC1=C(Cl)SC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311445	0	29	-1.0	-53.63	292.02	4.27	-49.36
COC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(F)=C1	REAL300017311446	0	33	-1.0	-48.10	291.25	3.10	-45.00
CC1=CC=C(C)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300017311447	0	37	-1.0	-54.18	319.91	7.14	-47.04
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300017311448	0	35	-1.0	-45.51	324.01	5.67	-39.84
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311449	0	39	-1.0	-40.54	334.64	6.29	-34.25
COC(=O)NC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311450	0	37	-1.0	-47.98	329.25	2.15	-45.83
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300017311451	0	35	-1.0	-47.19	308.96	4.33	-42.86
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300017311453	0	32	-1.0	-50.65	298.53	4.79	-45.86
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300017311454	0	32	-1.0	-41.22	317.54	5.44	-35.78
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C1	REAL300017311455	0	32	-1.0	-43.35	300.53	4.80	-38.55
CC1=CC(Br)=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311456	0	32	-1.0	-44.14	304.78	5.21	-38.93
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311457	0	40	-1.0	-58.52	332.52	2.61	-55.91
CSC1=CC=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311458	0	33	-1.0	-45.48	285.71	4.53	-40.95
CC(=O)NC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300017311459	0	36	-1.0	-48.72	338.65	3.50	-45.22
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311460	0	40	-1.0	-58.86	334.60	4.04	-54.82
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300017311461	0	41	-1.0	-58.40	345.78	3.43	-54.97
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)C1	REAL300017311462	0	35	-1.0	-45.10	343.49	2.01	-43.09
COC1=C(F)C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017311463	0	35	-1.0	-44.38	325.59	4.76	-39.62
COC(=O)NC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017311464	0	39	-1.0	-46.57	355.04	3.20	-43.37
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C1	REAL300017311465	0	40	-1.0	-56.64	363.34	5.68	-50.96
COC(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(OC)=C1	REAL300017311466	0	39	-1.0	-47.17	338.52	4.59	-42.58
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311467	0	32	-1.0	-42.79	296.23	4.97	-37.82
CC1=CC(C)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017311468	0	37	-1.0	-42.08	312.64	5.61	-36.47
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300017311469	0	37	-1.0	-55.58	324.43	5.17	-50.41
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311470	0	45	-1.0	-56.04	398.52	2.60	-53.44
CC1(C(=O)[O-])CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300017311471	0	35	-1.0	-51.20	303.62	0.38	-50.82
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017311472	0	39	-1.0	-49.84	344.58	4.76	-45.08
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300017311473	0	34	-1.0	-49.03	311.28	4.06	-44.97
COC1=CC(F)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(F)=C1	REAL300017311474	0	33	-1.0	-46.86	300.08	3.51	-43.35
CCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C)=C1	REAL300017311475	0	39	-1.0	-45.59	320.47	4.53	-41.06
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311476	0	37	-1.0	-61.41	339.89	0.04	-61.37
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311477	0	38	-1.0	-60.66	326.41	5.40	-55.26
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300017311478	0	33	-1.0	-47.99	300.39	3.93	-44.06
CSC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311479	0	33	-1.0	-45.62	302.27	4.95	-40.67
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311480	0	41	-1.0	-45.29	360.20	6.31	-38.98
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(C=C2Br)OCCO3)C1	REAL300017311481	0	35	-1.0	-45.98	309.57	3.35	-42.63
CCC(=O)NC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311482	0	39	-1.0	-50.66	338.73	3.63	-47.03
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300017311483	0	35	-1.0	-43.98	323.60	5.64	-38.34
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311484	0	40	-1.0	-42.96	332.21	5.70	-37.26
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C1	REAL300017311485	0	28	-1.0	-44.85	283.55	2.79	-42.06
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300017311486	0	35	-1.0	-48.93	305.40	3.51	-45.42
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300017311487	0	34	-1.0	-58.21	295.83	4.09	-54.12
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300017311488	0	41	-1.0	-48.78	357.20	5.81	-42.97
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CC=C2F)C1	REAL300017311489	0	29	-1.0	-43.20	282.95	4.42	-38.78
CC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017311490	0	35	-1.0	-45.81	318.78	5.37	-40.44
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300017311491	0	35	-1.0	-47.42	334.90	4.66	-42.76
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C12	REAL300017311492	0	37	-1.0	-49.14	328.40	3.65	-45.49
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(Br)C=C2F)C1	REAL300017311493	0	32	-1.0	-44.07	311.15	5.28	-38.79
CC1(C(=O)[O-])CN(S(=O)(=O)CC2CCCN2C(=O)OCC2=CC=CC=C2)C1	REAL300017311494	0	50	-1.0	-62.05	419.03	7.05	-55.00
CC1=NOC2=NC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C12	REAL300017311495	0	33	-1.0	-48.85	301.82	0.91	-47.94
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(CCCCl)C=C2)C1	REAL300017311496	0	38	-1.0	-45.73	343.62	6.77	-38.96
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)C1	REAL300017311497	0	31	-1.0	-45.57	301.79	4.97	-40.60
COC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300017311498	0	38	-1.0	-62.74	353.68	4.64	-58.10
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311499	0	35	-1.0	-50.40	308.80	4.89	-45.51
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300017311500	0	32	-1.0	-47.01	297.96	5.08	-41.93
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300017311501	0	41	-1.0	-70.24	359.74	2.55	-67.69
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CN=C2S1	REAL300017311502	0	43	-1.0	-45.57	388.78	5.46	-40.11
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300017311503	0	36	-1.0	-41.93	330.54	4.43	-37.50
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300017311504	0	29	-1.0	-40.89	284.59	4.72	-36.17
COC1=CC(OC)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300017311505	0	37	-1.0	-48.18	340.46	3.66	-44.52
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CN=C21	REAL300017311506	0	37	-1.0	-44.96	331.74	1.34	-43.62
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(COCC(F)(F)C(F)F)=C2)C1	REAL300017311507	0	42	-1.0	-50.22	386.67	5.88	-44.34
CCOC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1F	REAL300017311543	0	38	-1.0	-46.87	345.56	5.45	-41.42
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300017311544	0	37	-1.0	-51.30	320.59	3.93	-47.37
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC=C2Cl)C1	REAL300017311545	0	29	-1.0	-40.97	269.76	4.17	-36.80
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311546	0	48	-1.0	-73.44	378.37	7.23	-66.21
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300017311547	0	32	-1.0	-48.00	311.57	5.52	-42.48
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C1	REAL300017311548	0	30	-1.0	-54.84	292.98	4.81	-50.03
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017311549	0	36	-1.0	-50.06	338.16	3.47	-46.59
CC1CC2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300017311550	0	37	-1.0	-47.51	318.98	4.52	-42.99
COC1=CC(Cl)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017311551	0	33	-1.0	-41.83	308.98	3.97	-37.86
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311552	0	41	-1.0	-44.03	314.77	6.85	-37.18
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311553	0	41	-1.0	-64.41	345.13	2.56	-61.85
COC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CS1	REAL300017311554	0	32	-1.0	-47.07	309.35	3.60	-43.47
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311555	0	38	-1.0	-44.27	334.37	5.78	-38.49
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300017311556	0	40	-1.0	-45.22	369.21	7.36	-37.86
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300017311557	0	35	-1.0	-59.53	329.46	4.74	-54.79
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300017311558	0	35	-1.0	-47.36	345.22	5.11	-42.25
COC(=O)C1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1C	REAL300017311559	0	38	-1.0	-58.48	322.38	5.11	-53.37
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300017311560	0	31	-1.0	-41.81	311.59	5.22	-36.59
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311561	0	33	-1.0	-43.24	317.53	4.53	-38.71
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311562	0	41	-1.0	-46.97	342.46	4.48	-42.49
CCOC(=O)N1CCC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)CC1	REAL300017311563	0	43	-1.0	-52.05	352.04	3.73	-48.32
CC1=NC(C2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C2)=CO1	REAL300017311564	0	38	-1.0	-49.09	339.41	2.94	-46.15
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)C1	REAL300017311565	0	28	-1.0	-42.15	291.39	2.93	-39.22
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300017311566	0	37	-1.0	-46.68	318.05	4.47	-42.21
COC1=CC=C(Cl)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311567	0	33	-1.0	-44.75	292.98	3.41	-41.34
COC(=O)C1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300017311568	0	38	-1.0	-51.43	336.24	6.53	-44.90
CC1(C(=O)[O-])CN(S(=O)(=O)C2CCN(C(=O)OCC3=CC=CC=C3)CC2)C1	REAL300017311569	0	50	-1.0	-67.70	416.76	7.02	-60.68
CC1(C(=O)[O-])CN(S(=O)(=O)C2CCCN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017311570	0	50	-1.0	-61.00	416.89	7.13	-53.87
COC(=O)CC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311571	0	38	-1.0	-49.20	339.97	5.33	-43.87
CC1=CC=C(N2C=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=N2)C=C1	REAL300017311572	0	39	-1.0	-50.70	344.04	5.71	-44.99
CC1(C(=O)[O-])CN(S(=O)(=O)[C@@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017311573	0	47	-1.0	-52.57	396.36	5.91	-46.66
CC1(C(=O)[O-])CN(S(=O)(=O)[C@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017311574	0	47	-1.0	-54.47	401.76	5.93	-48.54
CC1(C(=O)[O-])CN(S(=O)(=O)C2CN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017311575	0	44	-1.0	-46.71	383.42	5.15	-41.56
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)S1	REAL300017311576	0	31	-1.0	-55.56	302.44	4.42	-51.14
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C21	REAL300017311577	0	40	-1.0	-59.92	344.86	4.97	-54.95
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(Cl)=C2Br)C1	REAL300017311578	0	29	-1.0	-46.90	288.48	4.76	-42.14
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C1	REAL300017311579	0	29	-1.0	-43.49	300.48	4.93	-38.56
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311580	0	39	-1.0	-62.09	323.39	5.69	-56.40
COC(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017311581	0	35	-1.0	-47.72	323.67	4.53	-43.19
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311582	0	33	-1.0	-43.62	300.68	4.43	-39.19
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C#N)C(Br)=C2)C1	REAL300017311583	0	30	-1.0	-45.23	304.85	4.74	-40.49
COC1=CC(C)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017311584	0	36	-1.0	-45.73	318.47	4.30	-41.43
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)S1	REAL300017311585	0	35	-1.0	-52.35	338.74	5.01	-47.34
CC(=O)NC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017311586	0	36	-1.0	-48.93	325.53	2.87	-46.06
COC1=CC(Cl)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300017311587	0	37	-1.0	-45.03	322.16	3.32	-41.71
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300017311588	0	33	-1.0	-46.67	309.83	3.50	-43.17
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C1	REAL300017311589	0	32	-1.0	-43.87	308.67	4.91	-38.96
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017311590	0	40	-1.0	-49.21	355.65	0.94	-48.27
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CC=C2S1	REAL300017311591	0	41	-1.0	-47.37	378.96	6.89	-40.48
COC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300017311592	0	33	-1.0	-44.86	294.57	3.49	-41.37
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C1	REAL300017311593	0	34	-1.0	-53.70	321.14	-0.56	-54.26
CC1=CC2=C(C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1)OCO2	REAL300017311594	0	35	-1.0	-43.88	291.93	3.00	-40.88
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)C1	REAL300017311595	0	35	-1.0	-45.17	330.26	4.95	-40.22
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311596	0	35	-1.0	-49.06	312.64	5.07	-43.99
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300017311597	0	29	-1.0	-41.36	280.25	4.61	-36.75
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311598	0	35	-1.0	-42.93	296.14	5.60	-37.33
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300017311599	0	29	-1.0	-40.49	281.72	4.71	-35.78
COC1=CC2=C(C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1)OCC(=O)N2	REAL300017311600	0	39	-1.0	-50.08	341.26	0.91	-49.17
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300017311601	0	30	-1.0	-48.67	281.74	2.07	-46.60
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(Br)=C2F)C1	REAL300017311602	0	29	-1.0	-47.85	288.95	4.46	-43.39
COC(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300017311603	0	39	-1.0	-47.92	346.43	4.56	-43.36
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C1	REAL300017311604	0	33	-1.0	-49.08	313.32	1.22	-47.86
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C3OC(C)(C)CC3=CC=C2)C1	REAL300017311605	0	40	-1.0	-51.00	341.38	5.09	-45.91
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)C1	REAL300017311606	0	33	-1.0	-46.26	321.02	5.03	-41.23
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(Cl)=C2C#N)C1	REAL300017311647	0	30	-1.0	-61.20	292.98	4.58	-56.62
COC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300017311648	0	43	-1.0	-51.46	367.77	3.26	-48.20
CC1CC2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300017311649	0	37	-1.0	-46.11	337.91	4.96	-41.15
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017311650	0	34	-1.0	-44.22	308.54	5.03	-39.19
CCOC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300017311651	0	43	-1.0	-43.97	377.00	6.54	-37.43
CC1=CC=C(Br)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311652	0	32	-1.0	-44.00	286.53	4.86	-39.14
COC(=O)C1=COC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311653	0	32	-1.0	-58.04	303.03	2.79	-55.25
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=N1	REAL300017311654	0	40	-1.0	-51.21	352.10	4.60	-46.61
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300017311655	0	31	-1.0	-46.36	296.35	3.32	-43.04
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311656	0	39	-1.0	-58.63	340.32	4.58	-54.05
CC(=O)NC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1C	REAL300017311657	0	39	-1.0	-56.90	338.25	3.59	-53.31
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300017311658	0	34	-1.0	-48.96	307.89	3.97	-44.99
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C1	REAL300017311659	0	35	-1.0	-46.45	303.83	1.75	-44.70
CN1CCCC2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C21	REAL300017311660	0	41	-1.0	-47.18	338.55	4.41	-42.77
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300017311661	0	31	-1.0	-44.48	299.86	3.15	-41.33
CC1=CC=C(Cl)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311662	0	32	-1.0	-44.56	284.92	4.78	-39.78
COC1=CC=CC(OC)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311663	0	37	-1.0	-53.04	318.33	4.38	-48.66
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CN=C1Cl	REAL300017311664	0	31	-1.0	-44.73	292.69	3.14	-41.59
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C1	REAL300017311665	0	35	-1.0	-49.32	315.73	2.90	-46.42
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C1	REAL300017311666	0	28	-1.0	-55.11	284.20	3.81	-51.30
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)S1	REAL300017311667	0	38	-1.0	-45.63	337.34	5.50	-40.13
COC1=CC(OC)=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311668	0	37	-1.0	-48.10	323.34	2.45	-45.65
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C1	REAL300017311669	0	30	-1.0	-40.71	284.25	4.50	-36.21
CN1C=NC2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017311670	0	35	-1.0	-52.87	312.62	5.19	-47.68
CC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017311671	0	37	-1.0	-52.33	305.68	5.40	-46.93
CCC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1CC	REAL300017311672	0	41	-1.0	-46.10	341.41	6.42	-39.68
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311673	0	37	-1.0	-41.63	318.95	6.10	-35.53
CC1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1Cl	REAL300017311674	0	32	-1.0	-58.20	290.91	5.01	-53.19
COC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C(C)O1	REAL300017311675	0	35	-1.0	-44.29	309.51	3.05	-41.24
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CN=C2N)C1	REAL300017311676	0	30	-1.0	-52.55	282.52	1.84	-50.71
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300017311677	0	35	-1.0	-52.58	304.07	5.51	-47.07
COC(=O)C1=NSC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311678	0	31	-1.0	-60.47	290.72	2.42	-58.05
COC(=O)C1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)SC=N1	REAL300017311679	0	31	-1.0	-69.67	300.19	2.50	-67.17
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC(C)=C1F	REAL300017311680	0	35	-1.0	-44.05	311.38	5.18	-38.87
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C1	REAL300017311681	0	37	-1.0	-55.70	323.94	2.31	-53.39
CC1(C(=O)[O-])CN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1	REAL300017311682	0	40	-1.0	-46.29	326.19	1.98	-44.31
COC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CN1C	REAL300017311683	0	36	-1.0	-61.62	324.20	4.16	-57.46
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311684	0	40	-1.0	-46.81	344.53	5.76	-41.05
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC(Cl)=CC=C2F)C1	REAL300017311685	0	32	-1.0	-45.37	306.57	5.17	-40.20
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)C1	REAL300017311686	0	32	-1.0	-41.52	307.13	5.19	-36.33
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300017311687	0	29	-1.0	-49.06	280.43	4.64	-44.42
COC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CN=C1Cl	REAL300017311688	0	32	-1.0	-45.14	302.89	1.89	-43.25
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC(C#N)=CC=C2F)C1	REAL300017311689	0	33	-1.0	-46.50	310.71	5.04	-41.46
COC(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=N1	REAL300017311690	0	34	-1.0	-45.84	315.10	2.67	-43.17
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300017311691	0	28	-1.0	-56.29	282.11	3.50	-52.79
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311692	0	34	-1.0	-42.84	304.57	4.33	-38.51
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311693	0	35	-1.0	-45.57	333.59	5.09	-40.48
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C1	REAL300017311694	0	32	-1.0	-40.93	295.18	1.61	-39.32
CCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=N1	REAL300017311695	0	35	-1.0	-44.91	313.40	1.47	-43.44
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C1	REAL300017311696	0	38	-1.0	-56.29	348.05	2.09	-54.20
CC(=O)NC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1F	REAL300017311697	0	36	-1.0	-51.90	325.54	2.86	-49.04
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C21	REAL300017311698	0	43	-1.0	-58.95	357.35	5.49	-53.46
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311699	0	35	-1.0	-43.39	311.80	5.42	-37.97
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311700	0	46	-1.0	-60.93	400.03	3.59	-57.34
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311701	0	39	-1.0	-56.78	351.32	1.20	-55.58
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C2CC1	REAL300017311702	0	46	-1.0	-53.77	377.11	5.80	-47.97
COC(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017311703	0	38	-1.0	-47.56	349.28	5.30	-42.26
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311704	0	38	-1.0	-44.14	323.73	6.03	-38.11
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300017311705	0	32	-1.0	-45.24	289.66	4.93	-40.31
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C1	REAL300017311706	0	32	-1.0	-46.13	303.38	5.54	-40.59
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311707	0	43	-1.0	-66.68	374.81	2.07	-64.61
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311708	0	42	-1.0	-47.50	360.47	5.50	-42.00
CCOC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1C	REAL300017311709	0	41	-1.0	-46.62	357.04	5.95	-40.67
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311710	0	41	-1.0	-51.15	363.17	6.20	-44.95
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1OC	REAL300017311711	0	40	-1.0	-50.46	357.48	3.62	-46.84
CCOC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C(F)C=C1C	REAL300017311712	0	41	-1.0	-44.92	354.38	5.92	-39.00
CC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300017311713	0	35	-1.0	-43.76	322.77	5.92	-37.84
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311714	0	38	-1.0	-46.26	338.24	5.37	-40.89
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300017311715	0	39	-1.0	-48.00	338.56	7.26	-40.74
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311716	0	43	-1.0	-45.58	381.24	1.72	-43.86
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300017311717	0	32	-1.0	-46.62	301.19	5.19	-41.43
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CN1C	REAL300017311718	0	41	-1.0	-48.71	364.08	5.13	-43.58
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300017311719	0	33	-1.0	-48.91	312.11	4.73	-44.18
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300017311720	0	32	-1.0	-46.06	296.26	4.86	-41.20
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311721	0	31	-1.0	-43.37	285.17	3.04	-40.33
CC1=NC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C(Br)N1C	REAL300017311722	0	32	-1.0	-50.67	304.95	3.29	-47.38
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C1	REAL300017311723	0	30	-1.0	-42.89	285.44	2.77	-40.12
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311724	0	42	-1.0	-67.52	357.22	4.73	-62.79
COC(=O)C1=CC(Br)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)S1	REAL300017311725	0	32	-1.0	-43.67	328.67	4.36	-39.31
COC(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(F)=C1	REAL300017311726	0	35	-1.0	-48.07	316.48	4.46	-43.61
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311727	0	40	-1.0	-49.21	354.83	3.47	-45.74
CC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300017311728	0	44	-1.0	-46.70	377.28	6.67	-40.03
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311729	0	41	-1.0	-46.43	365.76	3.15	-43.28
COCCOC1=C(Cl)C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017311730	0	40	-1.0	-44.83	385.31	4.58	-40.25
COC(=O)C1(CS(=O)(=O)N2CC(C)(C(=O)[O-])C2)CCCC1	REAL300017311731	0	41	-1.0	-49.73	329.49	5.09	-44.64
COCC1=CC(Cl)=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311732	0	36	-1.0	-47.29	333.88	4.16	-43.13
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300017311733	0	35	-1.0	-43.77	318.78	5.36	-38.41
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300017311734	0	40	-1.0	-55.28	368.55	7.41	-47.87
COC(=O)CC1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311735	0	38	-1.0	-51.44	341.31	5.28	-46.16
CC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300017311736	0	35	-1.0	-45.34	322.18	5.85	-39.49
COC(=O)C1(CS(=O)(=O)N2CC(C)(C(=O)[O-])C2)CCC1	REAL300017311737	0	38	-1.0	-70.56	325.78	4.46	-66.10
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300017311738	0	29	-1.0	-41.71	295.09	4.09	-37.62
CC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1I	REAL300017311739	0	32	-1.0	-45.31	309.70	5.49	-39.82
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311740	0	42	-1.0	-51.79	371.92	4.29	-47.50
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311741	0	45	-1.0	-51.84	393.78	5.22	-46.62
COC(=O)C1(CS(=O)(=O)N2CC(C)(C(=O)[O-])C2)CCCCC1	REAL300017311742	0	44	-1.0	-67.23	344.55	6.20	-61.03
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311743	0	37	-1.0	-49.23	332.56	4.94	-44.29
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=N1	REAL300017311744	0	31	-1.0	-51.50	283.87	3.12	-48.38
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CC(C)(C(=O)[O-])C1)=C2	REAL300017311745	0	42	-1.0	-50.03	364.17	7.69	-42.34
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC(Cl)=C2Br)C1	REAL300017311746	0	32	-1.0	-45.65	316.08	5.63	-40.02
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC(F)=C2Br)C1	REAL300017311747	0	32	-1.0	-46.17	306.88	5.23	-40.94
COC1=CC=C(Br)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1F	REAL300017311748	0	33	-1.0	-50.11	313.31	4.08	-46.03
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311749	0	39	-1.0	-42.46	336.50	6.15	-36.31
CC1(C(=O)[O-])CN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300017311750	0	33	-1.0	-46.95	308.23	5.53	-41.42
CC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300017311752	0	33	-1.0	-45.15	291.19	-0.91	-46.06
CC1(C(=O)[O-])CN(S(=O)(=O)CC2=NOC3=C2CCCC3)C1	REAL300017311756	0	38	-1.0	-49.24	322.93	4.63	-44.61
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC=C2C(F)F)C1	REAL300017311757	0	29	-1.0	-45.80	273.23	3.88	-41.92
CC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=CC(F)=C2)C1	REAL300017311758	0	35	-1.0	-44.31	312.45	5.48	-38.83
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311759	0	45	-1.0	-49.52	375.59	6.70	-42.82
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300017311760	0	34	-1.0	-51.69	295.07	4.10	-47.59
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017311761	0	49	-1.0	-53.73	390.98	6.31	-47.42
COC(=O)C1=CN(C)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311762	0	36	-1.0	-59.74	323.44	4.30	-55.44
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3NC(=O)CC(C)(C)C3=C2)C1	REAL300017311763	0	43	-1.0	-47.80	359.87	3.92	-43.88
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C1	REAL300017311764	0	44	-1.0	-59.65	375.05	6.51	-53.14
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C21	REAL300017311765	0	43	-1.0	-59.70	365.17	5.79	-53.91
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C2)C=C1	REAL300017311766	0	44	-1.0	-55.77	392.01	7.90	-47.87
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300017311767	0	39	-1.0	-52.29	327.96	4.47	-47.82
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300017311775	0	35	-1.0	-46.28	331.19	4.75	-41.53
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C1	REAL300017311776	0	35	-1.0	-48.54	315.08	1.08	-47.46
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300017311777	0	26	-1.0	-56.03	263.69	2.77	-53.26
COC1=C(F)C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017311778	0	33	-1.0	-43.65	310.22	3.39	-40.26
COC1=CC(F)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017311779	0	33	-1.0	-43.98	297.45	3.17	-40.81
CCCCCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300017311780	0	54	-1.0	-45.50	438.80	8.47	-37.03
COC1=CC(C(C)C)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017311781	0	45	-1.0	-45.38	351.36	5.45	-39.93
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311782	0	39	-1.0	-60.30	337.64	5.29	-55.01
CCOCCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300017311783	0	52	-1.0	-48.05	429.80	6.32	-41.73
CC1CC2=CC=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=C2O1	REAL300017311784	0	37	-1.0	-47.90	312.34	4.53	-43.37
CC(C)(C)C1=NC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)S1	REAL300017311785	0	37	-1.0	-46.40	330.74	3.60	-42.80
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C1	REAL300017311786	0	37	-1.0	-47.74	331.26	6.09	-41.65
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311787	0	33	-1.0	-47.76	302.15	4.44	-43.32
CC1=C(Br)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C(C)S1	REAL300017311788	0	32	-1.0	-43.44	307.02	5.32	-38.12
CC1=CC(Cl)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300017311789	0	32	-1.0	-46.39	312.96	5.97	-40.42
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C21	REAL300017311790	0	46	-1.0	-58.25	372.44	5.80	-52.45
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300017311791	0	35	-1.0	-49.53	315.76	4.55	-44.98
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C21	REAL300017311792	0	43	-1.0	-48.78	361.49	5.33	-43.45
CN1N=C(Br)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311793	0	29	-1.0	-42.86	280.97	1.81	-41.05
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C1	REAL300017311794	0	31	-1.0	-42.66	295.97	3.07	-39.59
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311795	0	34	-1.0	-58.51	302.77	3.54	-54.97
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C32)C1	REAL300017311796	0	33	-1.0	-46.87	310.49	4.23	-42.64
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300017311797	0	32	-1.0	-46.98	303.21	5.28	-41.70
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CNC3=C(Br)C=CC=C23)C1	REAL300017311798	0	33	-1.0	-46.16	310.53	4.22	-41.94
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C1	REAL300017311799	0	32	-1.0	-55.27	306.97	3.63	-51.64
CC1=CC(C)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C)=C1F	REAL300017311800	0	38	-1.0	-44.01	317.52	6.09	-37.92
COC1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1OC	REAL300017311801	0	37	-1.0	-49.20	318.74	3.70	-45.50
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C1	REAL300017311802	0	38	-1.0	-53.85	332.67	1.06	-52.79
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Br)C(C#N)=C2)C1	REAL300017311803	0	30	-1.0	-45.58	304.88	4.74	-40.84
COC1=CC=C(F)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1OC	REAL300017311804	0	37	-1.0	-50.20	325.16	4.10	-46.10
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311805	0	32	-1.0	-43.30	321.15	3.26	-40.04
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(I)S2)C1	REAL300017311806	0	26	-1.0	-41.90	282.66	4.09	-37.81
CN1C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300017311807	0	42	-1.0	-49.97	344.68	4.63	-45.34
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C1	REAL300017311808	0	33	-1.0	-47.31	312.94	5.85	-41.46
CC1(C(=O)[O-])CN(C(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300017311810	0	31	-1.0	-44.90	297.02	7.94	-36.96
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300017311811	0	33	-1.0	-47.98	301.32	3.51	-44.47
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CNC3=CC=C(Br)C=C32)C1	REAL300017311812	0	33	-1.0	-51.44	317.66	4.35	-47.09
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300017311813	0	32	-1.0	-50.15	293.80	3.08	-47.07
CN1N=NC2=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=CC=C21	REAL300017311814	0	34	-1.0	-58.10	308.49	2.25	-55.85
CC1=CC(C)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300017311816	0	35	-1.0	-42.22	305.87	5.54	-36.68
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300017311817	0	35	-1.0	-44.96	331.53	4.94	-40.02
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C1	REAL300017311818	0	32	-1.0	-46.57	294.34	4.10	-42.47
CN1C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300017311819	0	39	-1.0	-47.80	331.02	4.05	-43.75
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311820	0	47	-1.0	-45.04	364.07	7.37	-37.67
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300017311821	0	35	-1.0	-45.87	335.56	5.73	-40.14
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300017311822	0	39	-1.0	-47.88	336.04	4.56	-43.32
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300017311823	0	33	-1.0	-45.25	297.96	5.17	-40.08
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300017311824	0	40	-1.0	-48.20	359.79	6.66	-41.54
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311825	0	42	-1.0	-51.43	352.81	2.29	-49.14
COC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017311826	0	38	-1.0	-58.68	327.50	5.15	-53.53
COC(=O)C1=NN(C)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311827	0	35	-1.0	-46.41	315.38	2.04	-44.37
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300017311828	0	33	-1.0	-43.24	320.79	5.19	-38.05
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)C=C2C=C1	REAL300017311829	0	41	-1.0	-48.31	365.02	6.76	-41.55
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C(F)(F)CC(F)(F)F)=C2)C1	REAL300017311830	0	38	-1.0	-48.48	353.38	6.45	-42.03
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311831	0	38	-1.0	-43.45	304.81	3.44	-40.01
CC(C)(C)N1C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=N1	REAL300017311832	0	38	-1.0	-48.97	326.57	3.63	-45.34
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300017311833	0	34	-1.0	-44.36	313.04	3.74	-40.62
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300017311834	0	32	-1.0	-41.33	307.21	5.00	-36.33
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C1	REAL300017311835	0	29	-1.0	-56.30	276.54	3.95	-52.35
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300017311836	0	29	-1.0	-53.88	294.77	4.15	-49.73
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C1	REAL300017311837	0	32	-1.0	-43.43	316.25	5.27	-38.16
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2C(F)F)C1	REAL300017311838	0	32	-1.0	-69.79	286.92	5.48	-64.31
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311839	0	40	-1.0	-65.64	347.86	5.90	-59.74
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300017311840	0	40	-1.0	-46.84	331.83	6.88	-39.96
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)C1	REAL300017311841	0	39	-1.0	-52.63	344.59	5.53	-47.10
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300017311842	0	35	-1.0	-45.36	325.70	4.84	-40.52
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C1	REAL300017311843	0	34	-1.0	-58.52	321.95	4.37	-54.15
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311844	0	39	-1.0	-43.57	359.21	4.65	-38.92
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C1	REAL300017311845	0	38	-1.0	-55.05	338.50	3.81	-51.24
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300017311846	0	29	-1.0	-42.65	278.83	3.99	-38.66
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C1	REAL300017311847	0	32	-1.0	-46.38	293.04	5.08	-41.30
COC(=O)C1=C(C)SC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311848	0	35	-1.0	-55.31	328.00	4.36	-50.95
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C1	REAL300017311849	0	36	-1.0	-47.69	311.02	5.91	-41.78
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(Br)C=NC=C3S2)C1	REAL300017311850	0	31	-1.0	-43.66	318.74	4.06	-39.60
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300017311851	0	39	-1.0	-44.87	325.03	4.23	-40.64
CCC(C)N1N=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311852	0	38	-1.0	-44.84	320.13	3.51	-41.33
CNC(=O)NC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311853	0	38	-1.0	-51.51	333.29	1.44	-50.07
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C1	REAL300017311854	0	32	-1.0	-46.14	316.02	0.42	-45.72
CN(C1CCCCCC1)S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311855	0	43	-1.0	-58.19	332.78	4.88	-53.31
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311856	0	33	-1.0	-41.54	296.49	4.04	-37.50
CN1C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300017311857	0	43	-1.0	-47.57	354.19	2.72	-44.85
CC(F)(F)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1	REAL300017311858	0	35	-1.0	-46.72	317.57	5.39	-41.33
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300017311859	0	33	-1.0	-58.02	302.52	3.45	-54.57
CC1(C(=O)[O-])CN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300017311860	0	44	-1.0	-46.79	351.78	6.18	-40.61
CC1=CC(C)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300017311861	0	40	-1.0	-55.21	329.71	6.10	-49.11
CC1(C(=O)[O-])CN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300017311862	0	37	-1.0	-47.29	314.27	3.71	-43.58
CCOCC1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311863	0	39	-1.0	-59.65	340.19	4.56	-55.09
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)C1	REAL300017311864	0	32	-1.0	-47.58	321.34	5.93	-41.65
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311867	0	39	-1.0	-45.63	338.68	4.88	-40.75
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300017311868	0	42	-1.0	-46.40	350.74	4.79	-41.61
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300017311869	0	40	-1.0	-47.18	350.75	6.77	-40.41
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC(C)=C1Br	REAL300017311870	0	35	-1.0	-44.09	322.05	5.59	-38.50
CCN1N=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1Cl	REAL300017311871	0	32	-1.0	-44.82	303.37	2.68	-42.14
CC1(C(=O)[O-])CN(S(=O)(=O)C=CC2=CC=CC=C2Br)C1	REAL300017311872	0	33	-1.0	-46.84	312.24	5.62	-41.22
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CC(C)(C(=O)[O-])C1)=C2	REAL300017311873	0	35	-1.0	-44.95	347.17	5.15	-39.80
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300017311874	0	29	-1.0	-43.38	291.90	4.82	-38.56
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300017311875	0	31	-1.0	-46.33	303.11	3.00	-43.33
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C1	REAL300017311876	0	34	-1.0	-50.19	317.46	5.08	-45.11
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C1	REAL300017311877	0	34	-1.0	-49.15	304.23	4.44	-44.71
CC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300017311878	0	38	-1.0	-49.32	317.56	6.48	-42.84
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311879	0	33	-1.0	-50.33	316.20	4.86	-45.47
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCCF)C=C2)C1	REAL300017311880	0	36	-1.0	-46.99	320.00	4.30	-42.69
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017311881	0	43	-1.0	-47.50	368.46	5.34	-42.16
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300017311882	0	29	-1.0	-44.42	290.05	4.50	-39.92
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)O1	REAL300017311883	0	35	-1.0	-62.26	324.96	0.09	-62.17
CN1C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300017311884	0	39	-1.0	-48.60	339.91	5.16	-43.44
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C1	REAL300017311885	0	35	-1.0	-47.25	333.50	1.31	-45.94
CC1(C(=O)[O-])CN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300017311886	0	33	-1.0	-44.73	315.28	5.72	-39.01
CC1(C(=O)[O-])CN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300017311887	0	33	-1.0	-45.50	315.27	5.73	-39.77
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300017311888	0	33	-1.0	-45.68	305.86	5.25	-40.43
COC(=O)C1CCCCN1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311889	0	40	-1.0	-61.26	322.89	4.31	-56.95
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C1	REAL300017311890	0	51	-1.0	-46.05	394.10	8.04	-38.01
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C1	REAL300017311891	0	32	-1.0	-49.28	309.80	4.65	-44.63
COC1=CC=C(C=C(C)S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311892	0	40	-1.0	-45.84	336.18	4.90	-40.94
COC(=O)C=CC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311893	0	39	-1.0	-46.62	348.74	5.83	-40.79
CCOC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=NN1	REAL300017311894	0	35	-1.0	-56.62	323.35	1.87	-54.75
COC1=CSC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1OC	REAL300017311895	0	34	-1.0	-56.93	312.89	2.79	-54.14
CC1(C(=O)[O-])CN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300017311896	0	41	-1.0	-45.55	324.80	4.29	-41.26
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311897	0	40	-1.0	-58.57	342.85	5.78	-52.79
CC1(C(=O)[O-])CN(C(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300017311898	0	40	-1.0	-56.22	323.42	10.21	-46.01
CC1(C(=O)[O-])CN(C(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300017311899	0	46	-1.0	-44.70	355.58	9.92	-34.78
CC(C)(C)OC(=O)N1CCN(C(=O)N2CC(C)(C(=O)[O-])C2)CC1	REAL300017311900	0	47	-1.0	-45.04	360.17	6.45	-38.59
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311901	0	48	-1.0	-49.05	373.72	7.13	-41.92
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311902	0	33	-1.0	-46.88	314.27	4.97	-41.91
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300017311903	0	33	-1.0	-64.66	312.01	4.93	-59.73
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300017311904	0	33	-1.0	-47.79	309.82	3.49	-44.30
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311905	0	35	-1.0	-54.77	307.42	3.99	-50.78
CN1C=CC2=CC(S(=O)(=O)N3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017311906	0	36	-1.0	-49.82	318.04	5.60	-44.22
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C1	REAL300017311907	0	32	-1.0	-67.35	296.51	5.55	-61.80
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300017311908	0	38	-1.0	-44.45	340.94	4.42	-40.03
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300017311909	0	26	-1.0	-40.13	287.13	4.02	-36.11
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311910	0	42	-1.0	-51.79	354.71	6.36	-45.43
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300017311911	0	46	-1.0	-46.66	380.38	5.85	-40.81
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300017311912	0	32	-1.0	-48.62	318.35	5.33	-43.29
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C1	REAL300017311913	0	34	-1.0	-47.36	313.53	4.57	-42.79
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311914	0	37	-1.0	-48.89	316.31	3.71	-45.18
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(I)C=CS2)C1	REAL300017311915	0	26	-1.0	-44.83	274.16	3.82	-41.01
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300017311916	0	40	-1.0	-48.20	353.05	6.69	-41.51
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311917	0	35	-1.0	-53.26	298.42	5.44	-47.82
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C1	REAL300017311918	0	34	-1.0	-49.42	319.20	2.42	-47.00
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300017311919	0	30	-1.0	-46.19	298.48	2.55	-43.64
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311920	0	31	-1.0	-43.37	282.38	2.92	-40.45
C=C(C)COC1=CC=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311921	0	40	-1.0	-59.58	346.94	5.50	-54.08
CCN1C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300017311922	0	39	-1.0	-47.09	325.24	4.14	-42.95
CC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300017311923	0	33	-1.0	-63.95	298.52	3.26	-60.69
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300017311924	0	35	-1.0	-45.65	326.98	6.62	-39.03
CC(=O)OC1CCN(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C1	REAL300017311925	0	37	-1.0	-45.32	319.98	3.03	-42.29
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300017311926	0	39	-1.0	-46.32	353.01	7.86	-38.46
CCC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300017311927	0	35	-1.0	-43.86	323.39	5.73	-38.13
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311928	0	42	-1.0	-58.67	351.88	4.95	-53.72
COCCC1=CC=C(OC)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311929	0	43	-1.0	-49.86	367.17	4.17	-45.69
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300017311930	0	35	-1.0	-58.41	317.96	6.52	-51.89
CN1N=C2CCOCC2=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311931	0	37	-1.0	-50.15	314.34	1.66	-48.49
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=C3OCCOC3=C2)C1	REAL300017311932	0	35	-1.0	-47.80	326.89	3.76	-44.04
CC(=O)OCC1CCN(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)CC1	REAL300017311933	0	43	-1.0	-48.83	358.26	4.64	-44.19
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311934	0	43	-1.0	-49.13	371.05	4.62	-44.51
CC1(C(=O)[O-])CN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300017311935	0	39	-1.0	-59.76	326.46	1.74	-58.02
COC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C)=N1	REAL300017311936	0	35	-1.0	-44.24	296.50	0.95	-43.29
COC1=NC=C(C)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311937	0	35	-1.0	-59.19	310.42	1.87	-57.32
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300017311938	0	44	-1.0	-46.81	363.96	4.31	-42.50
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311939	0	32	-1.0	-44.19	298.37	1.74	-42.45
COC1=NC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017311940	0	35	-1.0	-46.27	309.35	1.34	-44.93
CC(C)CN1C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=N1	REAL300017311941	0	38	-1.0	-47.46	327.30	4.01	-43.45
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311942	0	38	-1.0	-47.09	324.72	3.46	-43.63
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300017311943	0	28	-1.0	-45.57	289.41	1.90	-43.67
CC1(C(=O)[O-])CN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C1	REAL300017311944	0	33	-1.0	-43.09	324.95	6.04	-37.05
COC(=O)C1=NC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017311945	0	37	-1.0	-46.40	328.82	3.30	-43.10
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C1	REAL300017311946	0	32	-1.0	-52.24	297.12	5.25	-46.99
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300017311947	0	36	-1.0	-48.91	315.08	4.68	-44.23
CC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=NN1C(C)C	REAL300017311948	0	38	-1.0	-47.32	323.71	3.53	-43.79
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300017311949	0	36	-1.0	-57.67	323.13	6.06	-51.61
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300017311950	0	31	-1.0	-47.73	291.31	3.04	-44.69
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1	REAL300017311951	0	43	-1.0	-56.11	371.95	7.61	-48.50
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300017311952	0	36	-1.0	-59.69	324.64	6.28	-53.41
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C1	REAL300017311953	0	33	-1.0	-46.77	305.94	4.12	-42.65
CC1(C(=O)[O-])CN(C(=O)N2CC=C(Br)CC2)C1	REAL300017311954	0	31	-1.0	-52.38	268.87	6.43	-45.95
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C1	REAL300017311955	0	32	-1.0	-46.96	293.98	4.67	-42.29
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311956	0	37	-1.0	-64.29	320.48	-0.12	-64.41
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C1	REAL300017311958	0	36	-1.0	-41.62	305.78	5.73	-35.89
CC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(Cl)=C1Cl	REAL300017311959	0	32	-1.0	-45.67	305.47	5.33	-40.34
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300017311960	0	33	-1.0	-42.61	307.73	3.59	-39.02
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C1	REAL300017311961	0	36	-1.0	-46.99	332.25	4.91	-42.08
COC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C(F)F)=C1	REAL300017311962	0	36	-1.0	-46.45	312.46	4.06	-42.39
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311963	0	35	-1.0	-55.42	328.10	2.22	-53.20
CC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300017311964	0	37	-1.0	-53.25	320.20	5.07	-48.18
CC1(C(=O)[O-])CN(C(=O)N2CC(OCC3=CC=CC=C3)C2)C1	REAL300017311965	0	41	-1.0	-45.93	342.21	7.25	-38.68
CC(C)(C)OC(=O)NC1CN(C(=O)N2CC(C)(C(=O)[O-])C2)C1	REAL300017311966	0	44	-1.0	-47.57	353.84	4.12	-43.45
CC1(C(=O)[O-])CN(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300017311967	0	32	-1.0	-55.09	294.85	3.45	-51.64
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311969	0	42	-1.0	-48.08	351.91	5.89	-42.19
CC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C(Cl)S1	REAL300017311970	0	29	-1.0	-55.16	285.77	4.16	-51.00
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300017311971	0	36	-1.0	-46.55	328.18	4.61	-41.94
CN1C=C(S(=O)(=O)NCC2=CC(C(=O)[O-])=C3CCCCN23)C=N1	REAL300017311972	0	40	-1.0	-63.12	346.98	3.86	-59.26
CC1=CC=C(S(=O)(=O)NCC2=CC(C(=O)[O-])=C3CCCCN23)C=C1	REAL300017311974	0	43	-1.0	-60.42	363.85	6.82	-53.60
O=C([O-])C1=C2CCCCN2C(CNS(=O)(=O)C2=CC(F)=CC(Cl)=C2)=C1	REAL300017311975	0	40	-1.0	-59.09	365.58	6.74	-52.35
CN(C)S(=O)(=O)NCC1=CC(C(=O)[O-])=C2CCCCN12	REAL300017311987	0	38	-1.0	-59.43	319.56	3.36	-56.07
N#CC1=CC=CC=C1CS(=O)(=O)NCC1=CC(C(=O)[O-])=C2CCCCN12	REAL300017311988	0	44	-1.0	-68.28	384.59	7.10	-61.18
O=C([O-])C1=C2CCCCN2C(CNS(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300017311989	0	46	-1.0	-63.47	386.92	5.31	-58.16
O=C([O-])C1=C2CCCCN2C(CNS(=O)(=O)C=CC2=CC=CC=C2)=C1	REAL300017311990	0	44	-1.0	-61.01	374.34	7.32	-53.69
CN1C=C(S(=O)(=O)NCC2=CC(C(=O)[O-])=C3CCCCN23)C(=O)N(C)C1=O	REAL300017311991	0	46	-1.0	-72.71	389.01	5.17	-67.54
CC1=NN(C)C(C)=C1S(=O)(=O)NCC1=CC(C(=O)[O-])=C2CCCCN12	REAL300017311992	0	46	-1.0	-62.30	379.13	5.18	-57.12
CC1=NNC(C)=C1S(=O)(=O)NCC1=CC(C(=O)[O-])=C2CCCCN12	REAL300017311993	0	43	-1.0	-62.67	358.64	3.98	-58.69
O=C([O-])C1=C2CCCCN2C(CNS(=O)(=O)C2=CC=C3NC(=O)OC3=C2)=C1	REAL300017311994	0	43	-1.0	-64.47	374.19	3.65	-60.82
O=C([O-])C1=C2CCCCN2C(CNS(=O)(=O)CC2=CC=CC=C2)=C1	REAL300017311995	0	43	-1.0	-62.44	366.19	6.87	-55.57
COC1=CC=C(S(=O)(=O)NCC2=CC(C(=O)[O-])=C3CCCCN23)C=C1	REAL300017311996	0	44	-1.0	-61.31	371.92	5.44	-55.87
O=C([O-])C1=C2CCCCN2C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300017311997	0	42	-1.0	-69.86	359.96	7.64	-62.22
CCOC1=CC=C(S(=O)(=O)NCC2=CC(C(=O)[O-])=C3CCCCN23)C=C1	REAL300017311998	0	47	-1.0	-61.15	393.78	6.37	-54.78
O=C([O-])C1=C2CCCCN2C(CNS(=O)(=O)C2=CC=C(F)C=C2F)=C1	REAL300017311999	0	40	-1.0	-58.75	347.10	5.97	-52.78
O=C([O-])C1=C2CCCCN2C(CNS(=O)(=O)C2=CC=C(F)C=C2)=C1	REAL300017312000	0	40	-1.0	-59.94	348.83	6.21	-53.73
CC1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1F	REAL300017329348	0	40	-1.0	-56.87	323.21	6.15	-50.72
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300017329349	0	38	-1.0	-62.71	316.45	5.72	-56.99
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC(F)=C1F	REAL300017329350	0	40	-1.0	-49.45	350.12	4.90	-44.55
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017329351	0	46	-1.0	-56.20	358.39	6.01	-50.19
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017329352	0	52	-1.0	-53.78	370.97	5.97	-47.81
CC1=NC2=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300017329353	0	42	-1.0	-49.22	336.40	5.47	-43.75
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017329354	0	42	-1.0	-61.90	338.55	6.58	-55.32
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017329355	0	45	-1.0	-55.63	351.60	2.98	-52.65
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329356	0	48	-1.0	-42.62	396.99	5.81	-36.81
CCCN1C=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329357	0	40	-1.0	-63.08	321.91	5.29	-57.79
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017329358	0	35	-1.0	-51.51	312.01	5.31	-46.20
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C#N)SC=C1	REAL300017329359	0	32	-1.0	-61.63	273.72	3.49	-58.14
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1CCC(F)CC1	REAL300017329360	0	43	-1.0	-58.75	323.79	5.73	-53.02
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300017329361	0	37	-1.0	-51.02	319.93	5.25	-45.77
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017329362	0	40	-1.0	-64.87	322.51	5.57	-59.30
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C2)=N1	REAL300017329363	0	43	-1.0	-54.78	358.49	6.03	-48.75
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1F	REAL300017329364	0	40	-1.0	-58.38	340.08	5.49	-52.89
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329365	0	43	-1.0	-58.46	353.93	5.07	-53.39
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329366	0	40	-1.0	-56.60	340.70	6.07	-50.53
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017329367	0	37	-1.0	-55.68	318.12	5.86	-49.82
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017329368	0	34	-1.0	-49.83	310.61	5.71	-44.12
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329369	0	41	-1.0	-61.47	340.42	1.60	-59.87
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329370	0	59	-1.0	-52.68	464.84	9.09	-43.59
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329371	0	49	-1.0	-57.65	382.24	6.89	-50.76
CCC1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)CC1	REAL300017329372	0	45	-1.0	-38.54	319.99	4.92	-33.62
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017329373	0	40	-1.0	-56.06	325.88	6.27	-49.79
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1F	REAL300017329374	0	40	-1.0	-59.03	322.94	6.29	-52.74
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017329375	0	40	-1.0	-58.22	332.15	6.57	-51.65
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329376	0	38	-1.0	-38.81	329.78	5.33	-33.48
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(=O)NCCC2	REAL300017329377	0	49	-1.0	-66.39	370.12	2.88	-63.51
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S2)C1	REAL300017329378	0	45	-1.0	-59.73	363.55	5.01	-54.72
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)SC2=CC=C(C#N)C=C12	REAL300017329379	0	41	-1.0	-56.10	347.09	7.22	-48.88
COC1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)CC1	REAL300017329380	0	43	-1.0	-41.82	313.37	2.67	-39.15
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017329381	0	37	-1.0	-55.20	329.90	5.62	-49.58
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329382	0	47	-1.0	-53.42	374.51	5.83	-47.59
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC(C)CC(F)(F)F	REAL300017329383	0	39	-1.0	-59.20	309.91	4.87	-54.33
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017329384	0	41	-1.0	-57.20	347.64	5.95	-51.25
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C2)=N1	REAL300017329385	0	46	-1.0	-43.71	367.40	4.17	-39.54
COC1=CC(F)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329386	0	38	-1.0	-41.01	308.75	4.67	-36.34
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)O1	REAL300017329387	0	40	-1.0	-54.68	332.19	4.09	-50.59
CCC1=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CN1CC1CC1	REAL300017329388	0	47	-1.0	-60.54	376.75	7.14	-53.40
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C2C1	REAL300017329389	0	45	-1.0	-62.86	356.03	5.07	-57.79
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017329390	0	37	-1.0	-53.15	313.53	4.06	-49.09
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017329391	0	37	-1.0	-64.72	321.51	4.34	-60.38
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300017329392	0	53	-1.0	-54.64	405.66	7.59	-47.05
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300017329393	0	42	-1.0	-45.93	337.63	6.65	-39.28
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300017329394	0	41	-1.0	-50.97	328.63	3.85	-47.12
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017329395	0	47	-1.0	-43.93	376.28	6.69	-37.24
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017329396	0	48	-1.0	-56.80	391.69	7.91	-48.89
COC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C1=CC=C(F)C=C1	REAL300017329397	0	44	-1.0	-56.29	356.42	5.50	-50.79
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017329398	0	46	-1.0	-56.57	358.27	6.00	-50.57
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300017329399	0	42	-1.0	-53.87	351.36	3.36	-50.51
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=CC=C12	REAL300017329400	0	46	-1.0	-44.80	365.56	7.18	-37.62
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300017329401	0	45	-1.0	-56.24	358.21	3.63	-52.61
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1(C(F)F)CCCC1	REAL300017329402	0	43	-1.0	-56.17	323.60	5.84	-50.33
CCOC1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)CCOCC1	REAL300017329403	0	48	-1.0	-59.45	349.49	3.50	-55.95
CCOC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C1CC1	REAL300017329404	0	44	-1.0	-58.89	340.32	4.88	-54.01
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1F	REAL300017329405	0	40	-1.0	-58.31	329.75	5.05	-53.26
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C(Cl)C=C21	REAL300017329406	0	45	-1.0	-64.24	357.95	5.94	-58.30
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300017329407	0	37	-1.0	-48.61	316.41	3.34	-45.27
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017329408	0	45	-1.0	-55.84	385.08	8.25	-47.59
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329409	0	37	-1.0	-36.31	316.19	5.75	-30.56
CC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1Br	REAL300017329410	0	37	-1.0	-41.14	309.66	5.49	-35.65
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329411	0	40	-1.0	-49.92	331.36	5.71	-44.21
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017329412	0	42	-1.0	-53.11	332.55	2.19	-50.92
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329413	0	38	-1.0	-53.20	325.03	4.46	-48.74
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300017329414	0	40	-1.0	-50.71	328.14	5.32	-45.39
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329415	0	40	-1.0	-55.40	338.16	6.00	-49.40
COCCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=N1	REAL300017329416	0	41	-1.0	-55.25	334.24	2.05	-53.20
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329417	0	47	-1.0	-55.38	363.39	5.68	-49.70
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017329418	0	41	-1.0	-57.34	337.63	5.19	-52.15
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017329419	0	42	-1.0	-57.77	346.20	6.90	-50.87
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017329420	0	34	-1.0	-51.60	301.22	5.20	-46.40
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017329421	0	37	-1.0	-55.86	309.70	5.53	-50.33
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017329422	0	41	-1.0	-67.19	337.22	2.45	-64.74
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C21	REAL300017329423	0	43	-1.0	-57.22	360.38	5.11	-52.11
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329424	0	37	-1.0	-39.61	307.22	5.58	-34.03
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329425	0	41	-1.0	-42.06	318.38	4.36	-37.70
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1Br	REAL300017329426	0	38	-1.0	-50.68	334.39	4.13	-46.55
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017329427	0	37	-1.0	-47.31	347.97	1.16	-46.15
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017329428	0	37	-1.0	-53.99	317.00	3.54	-50.45
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017329429	0	45	-1.0	-54.49	351.65	5.80	-48.69
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300017329430	0	42	-1.0	-56.01	363.41	0.92	-55.09
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1F	REAL300017329431	0	45	-1.0	-55.02	384.88	1.81	-53.21
CCC(=O)NCC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1OC	REAL300017329432	0	51	-1.0	-60.39	405.11	3.70	-56.69
CCC1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329433	0	43	-1.0	-57.91	340.79	6.85	-51.06
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329434	0	38	-1.0	-40.98	320.96	4.22	-36.76
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017329435	0	49	-1.0	-55.97	398.23	4.60	-51.37
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329436	0	43	-1.0	-65.04	356.39	2.96	-62.08
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017329437	0	36	-1.0	-51.00	322.42	4.42	-46.58
CC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1Br	REAL300017329438	0	39	-1.0	-50.78	331.77	5.58	-45.20
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329439	0	39	-1.0	-62.27	318.72	5.23	-57.04
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300017329440	0	35	-1.0	-51.88	316.28	5.50	-46.38
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Br	REAL300017329441	0	41	-1.0	-53.50	356.24	5.05	-48.45
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017329442	0	48	-1.0	-61.20	391.80	4.12	-57.08
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017329443	0	37	-1.0	-60.26	306.96	5.52	-54.74
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329444	0	47	-1.0	-39.93	381.93	6.00	-33.93
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCOC(C)(C)C1	REAL300017329445	0	43	-1.0	-53.29	317.62	3.34	-49.95
COC1=C(C)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300017329446	0	44	-1.0	-53.80	347.81	5.45	-48.35
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329447	0	50	-1.0	-53.58	384.19	6.90	-46.68
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017329448	0	48	-1.0	-53.42	366.66	6.83	-46.59
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329449	0	47	-1.0	-53.62	367.32	6.31	-47.31
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329450	0	44	-1.0	-53.66	347.22	5.61	-48.05
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300017329451	0	38	-1.0	-53.89	329.99	4.01	-49.88
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017329452	0	38	-1.0	-53.86	327.56	4.70	-49.16
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300017329453	0	41	-1.0	-54.02	334.07	4.20	-49.82
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300017329454	0	47	-1.0	-53.55	373.85	5.75	-47.80
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300017329455	0	41	-1.0	-42.05	318.76	4.19	-37.86
COCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329456	0	45	-1.0	-55.84	358.24	4.15	-51.69
COCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300017329457	0	48	-1.0	-56.11	379.25	4.80	-51.31
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1F	REAL300017329458	0	37	-1.0	-58.47	303.29	5.46	-53.01
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329459	0	45	-1.0	-61.06	364.97	4.24	-56.82
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017329460	0	49	-1.0	-54.58	377.34	3.87	-50.71
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300017329461	0	44	-1.0	-55.27	356.62	4.02	-51.25
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(Br)=C1	REAL300017329462	0	37	-1.0	-54.29	320.86	5.57	-48.72
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300017329463	0	40	-1.0	-60.96	338.27	2.36	-58.60
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329464	0	40	-1.0	-41.69	333.82	6.25	-35.44
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017329465	0	35	-1.0	-51.37	320.68	4.96	-46.41
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329466	0	37	-1.0	-37.89	310.60	5.51	-32.38
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1C	REAL300017329467	0	42	-1.0	-59.52	333.27	7.15	-52.37
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329468	0	40	-1.0	-41.54	347.37	5.20	-36.34
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329469	0	43	-1.0	-43.58	349.78	2.42	-41.16
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300017329470	0	38	-1.0	-39.00	317.33	5.94	-33.06
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300017329471	0	35	-1.0	-53.61	310.38	5.30	-48.31
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329472	0	50	-1.0	-54.75	385.95	6.21	-48.54
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017329473	0	46	-1.0	-56.04	382.29	2.49	-53.55
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329474	0	42	-1.0	-56.43	348.89	0.74	-55.69
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S1	REAL300017329475	0	44	-1.0	-64.44	370.21	3.53	-60.91
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)O1	REAL300017329476	0	37	-1.0	-52.84	325.02	3.02	-49.82
CC1=NC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S1	REAL300017329477	0	36	-1.0	-53.51	297.36	3.07	-50.44
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017329478	1	36	-1.0	-65.35	299.92	6.06	-59.29
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017329479	0	37	-1.0	-55.71	340.26	5.99	-49.72
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C(C)N1	REAL300017329480	0	47	-1.0	-58.09	366.24	4.93	-53.16
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017329481	0	34	-1.0	-56.87	299.72	4.95	-51.92
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S2)=CS1	REAL300017329482	0	40	-1.0	-55.21	353.53	5.16	-50.05
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017329483	0	54	-1.0	-53.45	408.78	8.17	-45.28
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017329484	0	44	-1.0	-58.99	381.74	3.73	-55.26
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329485	0	43	-1.0	-41.25	343.98	5.55	-35.70
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017329486	0	36	-1.0	-44.39	308.42	6.14	-38.25
COC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1OC	REAL300017329487	0	42	-1.0	-55.59	337.75	3.00	-52.59
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1OC	REAL300017329488	0	45	-1.0	-42.65	347.97	4.10	-38.55
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017329489	1	36	-1.0	-53.55	319.97	6.91	-46.64
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329490	0	42	-1.0	-63.30	324.01	6.38	-56.92
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017329491	0	37	-1.0	-58.37	314.40	5.55	-52.82
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300017329492	0	39	-1.0	-56.04	316.60	0.59	-55.45
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329493	0	37	-1.0	-37.94	306.03	5.41	-32.53
CCOC(=O)C1CCCN1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329494	0	45	-1.0	-65.41	341.00	5.76	-59.65
CNC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CN1C	REAL300017329495	0	42	-1.0	-55.48	348.70	1.75	-53.73
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300017329496	0	44	-1.0	-51.88	340.98	4.96	-46.92
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017329497	0	42	-1.0	-58.13	356.94	3.89	-54.24
COC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329498	0	43	-1.0	-59.88	361.61	5.65	-54.23
COC(=O)C1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)CC1	REAL300017329499	0	45	-1.0	-44.61	334.30	4.26	-40.35
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017329500	0	45	-1.0	-56.22	349.71	4.68	-51.54
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329501	0	43	-1.0	-64.67	351.59	6.10	-58.57
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)O1	REAL300017329502	0	40	-1.0	-54.65	336.17	4.43	-50.22
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329503	0	47	-1.0	-57.73	380.07	5.72	-52.01
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300017329504	0	44	-1.0	-41.39	338.74	5.12	-36.27
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017329505	0	38	-1.0	-64.57	312.75	4.94	-59.63
CCOC(=O)CCCS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329506	0	42	-1.0	-63.57	337.22	4.90	-58.67
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017329507	0	37	-1.0	-57.29	319.33	6.25	-51.04
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017329508	0	36	-1.0	-44.39	313.05	6.24	-38.15
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329509	0	39	-1.0	-60.44	305.60	6.45	-53.99
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017329510	0	36	-1.0	-47.91	328.09	5.54	-42.37
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CS1	REAL300017329511	0	31	-1.0	-38.98	277.20	3.50	-35.48
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017329512	0	38	-1.0	-52.40	320.99	4.41	-47.99
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300017329513	0	42	-1.0	-54.46	319.15	5.59	-48.87
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017329514	0	36	-1.0	-57.23	309.68	4.06	-53.17
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017329515	0	42	-1.0	-58.70	328.35	3.66	-55.04
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017329516	0	33	-1.0	-50.46	294.38	3.50	-46.96
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017329517	0	36	-1.0	-51.22	307.34	4.46	-46.76
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017329518	0	36	-1.0	-48.01	317.06	5.73	-42.28
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329519	0	43	-1.0	-63.12	355.28	3.27	-59.85
CCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300017329520	0	39	-1.0	-53.33	325.41	4.65	-48.68
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017329521	0	36	-1.0	-49.26	304.86	5.91	-43.35
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017329522	0	36	-1.0	-49.97	319.11	4.88	-45.09
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017329523	0	41	-1.0	-56.17	345.13	5.24	-50.93
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017329524	0	36	-1.0	-42.40	312.93	6.28	-36.12
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017329525	0	48	-1.0	-55.01	385.46	7.83	-47.18
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300017329526	0	42	-1.0	-61.73	347.69	0.97	-60.76
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329527	0	42	-1.0	-61.12	335.35	5.84	-55.28
CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)CC1	REAL300017329528	0	47	-1.0	-39.90	348.97	3.18	-36.72
COC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC=C(Cl)N=C2C=C1	REAL300017329529	0	43	-1.0	-56.54	352.72	5.52	-51.02
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017329530	0	44	-1.0	-57.26	360.44	6.00	-51.26
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017329531	0	37	-1.0	-71.24	301.93	3.56	-67.68
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329532	0	56	-1.0	-38.75	407.57	7.42	-31.33
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300017329533	0	42	-1.0	-60.81	346.60	1.24	-59.57
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300017329534	0	37	-1.0	-59.00	304.72	5.48	-53.52
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300017329535	0	40	-1.0	-63.63	339.28	2.09	-61.54
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300017329536	0	47	-1.0	-45.60	366.33	6.76	-38.84
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329537	0	44	-1.0	-44.05	347.33	6.06	-37.99
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017329538	0	39	-1.0	-67.08	332.84	4.32	-62.76
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017329539	0	41	-1.0	-53.77	334.97	5.51	-48.26
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017329540	0	36	-1.0	-49.82	318.54	5.63	-44.19
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300017329541	0	35	-1.0	-46.63	298.73	4.63	-42.00
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329542	0	48	-1.0	-55.23	391.32	4.62	-50.61
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329543	0	50	-1.0	-52.67	400.34	6.74	-45.93
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017329544	0	36	-1.0	-61.33	317.19	6.34	-54.99
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1F	REAL300017329545	0	40	-1.0	-54.23	333.56	5.24	-48.99
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C(Cl)C=C1Cl	REAL300017329546	0	40	-1.0	-38.55	355.15	6.00	-32.55
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329547	0	44	-1.0	-61.96	348.53	4.46	-57.50
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S1	REAL300017329548	0	40	-1.0	-60.04	353.73	4.79	-55.25
COC(=O)C1=CSC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329549	0	37	-1.0	-54.55	322.08	4.29	-50.26
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329550	0	46	-1.0	-41.83	361.19	6.24	-35.59
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300017329551	0	40	-1.0	-53.43	341.54	5.60	-47.83
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1C	REAL300017329552	0	43	-1.0	-53.00	355.31	5.33	-47.67
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329553	0	40	-1.0	-59.79	326.36	5.07	-54.72
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017329554	0	44	-1.0	-41.62	329.76	6.88	-34.74
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017329555	0	40	-1.0	-59.76	322.81	6.42	-53.34
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300017329556	0	33	-1.0	-49.16	300.83	2.93	-46.23
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017329557	0	38	-1.0	-51.41	340.88	5.62	-45.79
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300017329558	0	39	-1.0	-53.91	310.25	3.80	-50.11
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017329559	0	39	-1.0	-51.11	325.09	-0.09	-51.20
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300017329560	0	48	-1.0	-53.75	387.39	6.52	-47.23
COC(=O)CC1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)CC1	REAL300017329561	0	43	-1.0	-56.15	337.28	5.30	-50.85
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329562	0	39	-1.0	-45.68	330.90	4.15	-41.53
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C(F)C=C1F	REAL300017329563	0	37	-1.0	-52.63	305.75	4.49	-48.14
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329564	0	41	-1.0	-56.85	333.37	4.98	-51.87
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300017329565	0	46	-1.0	-55.27	365.10	6.11	-49.16
CCCCCCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(=O)NC1=O	REAL300017329566	0	52	-1.0	-60.74	411.91	4.56	-56.18
CC1=CN(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C2F)N=C1	REAL300017329567	0	44	-1.0	-52.99	355.86	6.43	-46.56
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S1	REAL300017329568	0	41	-1.0	-59.51	350.46	3.43	-56.08
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329569	0	41	-1.0	-61.01	336.87	-0.51	-61.52
CC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1F	REAL300017329570	0	37	-1.0	-54.18	305.78	4.50	-49.68
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300017329571	0	39	-1.0	-54.43	343.97	6.01	-48.42
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)O1	REAL300017329572	0	31	-1.0	-53.68	279.15	3.45	-50.23
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300017329573	0	40	-1.0	-54.44	329.22	6.20	-48.24
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017329574	0	31	-1.0	-49.90	291.91	4.65	-45.25
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017329575	0	37	-1.0	-53.60	319.57	6.10	-47.50
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017329576	0	37	-1.0	-53.47	329.88	6.54	-46.93
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300017329577	0	40	-1.0	-52.17	346.35	6.89	-45.28
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017329578	0	37	-1.0	-41.31	328.15	6.08	-35.23
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017329579	0	40	-1.0	-58.11	319.81	7.29	-50.82
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017329580	0	40	-1.0	-43.74	332.53	7.17	-36.57
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300017329581	0	45	-1.0	-54.77	389.51	3.04	-51.73
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CN1C	REAL300017329582	0	44	-1.0	-59.60	367.58	5.18	-54.42
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C2O1	REAL300017329583	0	48	-1.0	-56.31	397.98	6.39	-49.92
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300017329584	0	40	-1.0	-57.53	339.29	2.10	-55.43
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300017329585	0	43	-1.0	-63.68	374.15	4.06	-59.62
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300017329586	0	47	-1.0	-58.88	380.73	6.09	-52.79
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)SC2=CC=CC(F)=C12	REAL300017329587	0	40	-1.0	-55.79	330.01	6.83	-48.96
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017329588	0	45	-1.0	-61.06	374.55	1.76	-59.30
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017329589	1	35	-1.0	-55.42	302.83	5.18	-50.24
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1N(C)C	REAL300017329590	0	45	-1.0	-53.68	359.37	4.81	-48.87
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)N1C	REAL300017329591	0	34	-1.0	-47.45	300.34	3.25	-44.20
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329592	0	39	-1.0	-35.93	329.89	6.12	-29.81
CSC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300017329593	0	38	-1.0	-54.45	327.86	6.07	-48.38
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300017329594	0	34	-1.0	-57.68	298.44	3.99	-53.69
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300017329595	0	37	-1.0	-51.98	317.45	5.01	-46.97
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017329596	0	46	-1.0	-55.73	384.12	6.76	-48.97
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(N(C)C)=CC=C1Br	REAL300017329597	0	42	-1.0	-42.18	342.56	5.49	-36.69
CC1=NN2C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=NC2=C1Cl	REAL300017329598	0	39	-1.0	-49.25	341.07	3.79	-45.46
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329599	0	40	-1.0	-42.51	335.08	6.13	-36.38
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329600	0	46	-1.0	-44.46	345.48	4.28	-40.18
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C12	REAL300017329601	0	41	-1.0	-49.77	333.86	2.23	-47.54
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1F	REAL300017329602	0	39	-1.0	-54.38	327.29	5.87	-48.51
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329603	0	40	-1.0	-42.58	324.74	5.69	-36.89
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017329604	0	37	-1.0	-72.12	310.80	4.27	-67.85
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017329605	0	37	-1.0	-54.29	331.33	6.51	-47.78
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300017329606	0	42	-1.0	-50.86	364.38	2.59	-48.27
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017329607	0	33	-1.0	-36.54	299.59	3.57	-32.97
COC(=O)C1CCCCC1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329608	0	46	-1.0	-45.36	340.07	5.55	-39.81
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C2)CC1	REAL300017329609	0	47	-1.0	-56.91	372.77	7.16	-49.75
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300017329610	0	41	-1.0	-61.20	316.13	5.80	-55.40
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300017329611	0	38	-1.0	-56.67	333.02	6.18	-50.49
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017329612	0	40	-1.0	-50.51	353.10	2.19	-48.32
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329613	0	38	-1.0	-53.24	320.24	5.12	-48.12
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017329614	0	43	-1.0	-65.93	350.19	7.82	-58.11
CCC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C(C(=O)OC)O1	REAL300017329615	0	43	-1.0	-41.68	348.59	4.44	-37.24
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017329616	0	51	-1.0	-57.99	388.46	6.34	-51.65
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1F	REAL300017329617	0	41	-1.0	-52.35	334.52	4.34	-48.01
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017329618	0	54	-1.0	-55.77	400.38	5.81	-49.96
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017329619	0	48	-1.0	-56.34	363.31	4.75	-51.59
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017329620	0	45	-1.0	-60.62	370.57	5.37	-55.25
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329621	0	42	-1.0	-41.79	346.55	6.28	-35.51
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCCC1	REAL300017329622	0	44	-1.0	-68.05	329.34	5.45	-62.60
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1(C)CCCCC1	REAL300017329623	0	46	-1.0	-57.07	322.88	6.17	-50.90
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017329624	0	43	-1.0	-55.43	333.52	5.85	-49.58
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017329625	0	37	-1.0	-54.58	322.50	3.01	-51.57
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1F	REAL300017329626	0	38	-1.0	-52.02	309.94	3.92	-48.10
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329627	0	45	-1.0	-45.17	365.09	4.73	-40.44
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329628	0	48	-1.0	-41.51	391.66	6.02	-35.49
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329629	0	43	-1.0	-38.88	322.46	6.15	-32.73
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017329630	0	48	-1.0	-40.93	389.90	8.20	-32.73
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C2O1	REAL300017329631	0	49	-1.0	-53.66	397.91	7.24	-46.42
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329632	0	46	-1.0	-41.16	365.84	6.48	-34.68
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017329633	0	34	-1.0	-52.06	299.23	5.35	-46.71
CC1=C(Cl)SC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329634	0	34	-1.0	-52.37	303.06	4.84	-47.53
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300017329635	0	38	-1.0	-56.37	308.60	3.08	-53.29
CC1=CC=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300017329636	0	42	-1.0	-60.28	327.55	7.35	-52.93
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017329637	0	40	-1.0	-57.10	335.21	6.35	-50.75
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300017329638	0	44	-1.0	-38.13	360.84	7.17	-30.96
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329639	0	42	-1.0	-56.75	351.68	2.38	-54.37
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300017329640	0	42	-1.0	-55.07	335.61	4.55	-50.52
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017329641	0	40	-1.0	-54.96	317.55	4.99	-49.97
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017329643	0	37	-1.0	-54.33	306.62	5.40	-48.93
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017329644	0	37	-1.0	-50.00	328.39	6.11	-43.89
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017329645	0	37	-1.0	-53.84	310.33	5.43	-48.41
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329646	0	37	-1.0	-52.44	316.85	5.79	-46.65
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329647	0	45	-1.0	-61.82	333.65	2.61	-59.21
CSC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329648	0	38	-1.0	-58.52	299.98	5.17	-53.35
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300017329649	0	45	-1.0	-49.69	351.03	4.79	-44.90
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017329650	0	46	-1.0	-48.39	363.67	3.93	-44.46
COC1=C(F)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300017329651	0	40	-1.0	-48.27	337.68	5.38	-42.89
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300017329652	0	44	-1.0	-50.46	375.20	3.51	-46.95
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(OC)=C1	REAL300017329653	0	44	-1.0	-56.69	348.16	5.12	-51.57
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329654	0	37	-1.0	-36.25	316.18	5.91	-30.34
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300017329655	0	42	-1.0	-37.66	334.24	6.30	-31.36
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017329656	0	42	-1.0	-64.51	346.69	5.54	-58.97
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017329657	0	40	-1.0	-42.48	318.13	0.20	-42.28
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300017329658	0	44	-1.0	-55.65	354.39	5.43	-50.22
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017329659	0	39	-1.0	-56.29	320.52	4.75	-51.54
COC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300017329660	0	38	-1.0	-57.55	311.56	4.09	-53.46
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1	REAL300017329661	0	44	-1.0	-42.12	340.62	5.11	-37.01
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329662	0	42	-1.0	-60.66	350.77	0.68	-59.98
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O	REAL300017329663	0	36	-1.0	-62.27	300.50	-0.01	-62.28
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329664	0	43	-1.0	-61.14	351.82	6.08	-55.06
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017329665	0	38	-1.0	-44.03	312.87	4.92	-39.11
CSC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329666	0	38	-1.0	-52.92	324.70	5.18	-47.74
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329667	0	46	-1.0	-52.33	371.40	7.02	-45.31
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329668	0	44	-1.0	-59.86	347.88	4.30	-55.56
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017329669	0	40	-1.0	-59.00	335.01	6.42	-52.58
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329670	0	45	-1.0	-35.49	345.92	6.26	-29.23
CCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)N=C1C	REAL300017329671	0	40	-1.0	-60.52	313.39	5.73	-54.79
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017329672	0	33	-1.0	-51.77	289.94	3.32	-48.45
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017329673	0	40	-1.0	-45.64	322.33	3.89	-41.75
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017329674	0	39	-1.0	-44.35	310.54	4.74	-39.61
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017329675	0	46	-1.0	-56.81	364.84	6.57	-50.24
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1F	REAL300017329676	0	34	-1.0	-59.39	277.87	4.47	-54.92
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017329677	0	34	-1.0	-55.15	289.88	5.11	-50.04
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300017329678	0	40	-1.0	-52.48	328.57	6.02	-46.46
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017329679	0	40	-1.0	-44.97	349.33	5.64	-39.33
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C12	REAL300017329680	0	42	-1.0	-52.17	340.53	4.21	-47.96
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017329681	0	37	-1.0	-55.66	324.59	6.08	-49.58
CC1=NOC2=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C12	REAL300017329682	0	38	-1.0	-53.30	313.18	1.56	-51.74
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017329683	0	43	-1.0	-57.26	355.76	7.39	-49.87
COCC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329684	0	41	-1.0	-56.80	329.50	4.25	-52.55
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017329685	0	36	-1.0	-54.50	327.63	5.58	-48.92
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C(C(=O)OC)S1	REAL300017329686	0	43	-1.0	-42.98	369.64	5.48	-37.50
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329687	0	40	-1.0	-41.75	324.09	5.72	-36.03
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017329688	0	37	-1.0	-57.18	311.33	5.88	-51.30
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017329689	0	46	-1.0	-69.52	369.21	3.08	-66.44
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017329690	0	41	-1.0	-56.29	343.90	5.21	-51.08
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017329691	0	34	-1.0	-38.38	313.95	5.18	-33.20
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017329692	0	42	-1.0	-50.87	344.16	1.91	-48.96
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1F	REAL300017329723	0	43	-1.0	-54.20	355.41	6.16	-48.04
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017329724	0	42	-1.0	-48.31	336.08	4.81	-43.50
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017329725	0	34	-1.0	-38.39	299.03	4.62	-33.77
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329726	0	53	-1.0	-50.84	406.45	7.75	-43.09
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017329727	0	37	-1.0	-56.71	323.41	6.35	-50.36
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017329728	0	35	-1.0	-38.26	308.63	5.33	-32.93
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300017329729	0	41	-1.0	-60.66	341.61	3.87	-56.79
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300017329730	0	42	-1.0	-54.57	331.11	5.15	-49.42
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300017329731	0	38	-1.0	-52.52	342.54	4.54	-47.98
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329732	0	46	-1.0	-39.76	327.14	7.43	-32.33
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329733	0	46	-1.0	-52.14	360.90	3.10	-49.04
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CS1	REAL300017329734	0	37	-1.0	-58.90	321.67	4.28	-54.62
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329735	0	43	-1.0	-40.98	356.74	6.67	-34.31
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017329736	0	45	-1.0	-53.47	389.88	7.52	-45.95
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017329737	0	40	-1.0	-47.78	341.55	5.81	-41.97
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017329738	0	40	-1.0	-44.88	359.67	6.09	-38.79
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1C	REAL300017329739	0	43	-1.0	-55.14	345.73	5.77	-49.37
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017329740	0	36	-1.0	-51.42	322.44	5.89	-45.53
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329741	0	38	-1.0	-37.38	326.71	5.04	-32.34
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329742	0	46	-1.0	-55.27	351.13	4.84	-50.43
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)CC1	REAL300017329743	0	48	-1.0	-38.65	366.98	4.12	-34.53
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C2)=CO1	REAL300017329744	0	43	-1.0	-57.11	350.66	3.57	-53.54
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017329745	0	33	-1.0	-47.77	301.28	3.58	-44.19
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017329746	0	37	-1.0	-55.68	315.23	4.63	-51.05
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017329747	0	37	-1.0	-55.30	300.43	3.24	-52.06
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCN12	REAL300017329748	0	38	-1.0	-51.97	306.70	3.26	-48.71
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017329749	0	42	-1.0	-54.32	338.18	4.79	-49.53
COC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329750	0	38	-1.0	-56.41	307.04	4.13	-52.28
COC(=O)C1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=CC=CC=C2S1	REAL300017329751	0	43	-1.0	-60.24	351.50	7.45	-52.79
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329752	0	43	-1.0	-61.19	351.33	6.03	-55.16
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017329753	0	41	-1.0	-56.79	320.10	6.79	-50.00
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=N2)C=C1	REAL300017329754	0	44	-1.0	-53.52	356.38	6.18	-47.34
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017329755	0	52	-1.0	-56.19	406.56	6.16	-50.03
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017329756	0	52	-1.0	-49.91	416.33	6.06	-43.85
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017329757	0	49	-1.0	-56.31	392.51	5.75	-50.56
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S1	REAL300017329758	0	36	-1.0	-51.12	323.62	4.56	-46.56
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C21	REAL300017329759	0	45	-1.0	-74.23	353.42	5.60	-68.63
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017329760	0	34	-1.0	-40.70	306.28	5.39	-35.31
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017329761	0	34	-1.0	-51.60	310.35	5.62	-45.98
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329762	0	44	-1.0	-57.08	332.00	6.07	-51.01
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1C#N	REAL300017329763	0	38	-1.0	-52.44	314.11	5.40	-47.04
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1F	REAL300017329764	0	40	-1.0	-54.29	343.79	4.84	-49.45
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329765	0	38	-1.0	-56.91	311.13	5.02	-51.89
COC1=CC=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329766	0	41	-1.0	-58.15	328.90	4.32	-53.83
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017329767	0	35	-1.0	-51.33	324.97	5.05	-46.28
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1Cl	REAL300017329768	0	41	-1.0	-39.22	334.74	4.94	-34.28
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S1	REAL300017329769	0	40	-1.0	-52.84	350.48	5.15	-47.69
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1F	REAL300017329770	0	41	-1.0	-57.34	336.35	3.53	-53.81
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1OC	REAL300017329771	0	42	-1.0	-54.45	336.11	4.02	-50.43
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017329772	0	38	-1.0	-54.13	317.75	4.22	-49.91
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017329773	0	37	-1.0	-48.97	318.54	5.62	-43.35
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C	REAL300017329774	0	45	-1.0	-58.17	365.38	1.62	-56.55
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C2S1	REAL300017329775	0	46	-1.0	-53.72	388.76	7.55	-46.17
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017329776	0	38	-1.0	-63.03	316.48	5.73	-57.30
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(Br)=C1	REAL300017329777	0	38	-1.0	-53.05	329.34	4.16	-48.89
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017329778	0	39	-1.0	-59.66	329.86	0.15	-59.51
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)OCO2	REAL300017329779	0	40	-1.0	-55.07	325.64	3.59	-51.48
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329780	0	40	-1.0	-53.91	315.91	5.63	-48.28
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017329781	0	34	-1.0	-38.41	304.60	5.46	-32.95
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329782	0	40	-1.0	-49.83	305.80	5.92	-43.91
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017329783	0	34	-1.0	-52.55	316.11	5.43	-47.12
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)OCC(=O)N2	REAL300017329784	0	44	-1.0	-58.32	344.53	1.03	-57.29
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)S1	REAL300017329785	0	32	-1.0	-52.79	286.34	4.17	-48.62
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017329786	0	35	-1.0	-60.55	290.39	2.86	-57.69
COC1=CN=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329787	0	37	-1.0	-53.49	299.00	1.93	-51.56
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017329788	0	34	-1.0	-57.80	292.18	5.02	-52.78
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1OC	REAL300017329789	0	44	-1.0	-54.75	354.74	5.31	-49.44
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017329790	0	38	-1.0	-57.65	323.52	1.85	-55.80
CCOC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329791	0	41	-1.0	-55.73	325.73	4.81	-50.92
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017329792	0	45	-1.0	-42.76	346.71	5.46	-37.30
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017329793	0	38	-1.0	-50.10	330.82	5.68	-44.42
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017329831	0	35	-1.0	-56.98	318.36	4.83	-52.15
CC1=CC=C(C#N)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329832	0	38	-1.0	-36.88	308.59	5.40	-31.48
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(=O)N(C)C	REAL300017329833	0	48	-1.0	-56.78	374.13	4.29	-52.49
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300017329834	0	42	-1.0	-51.91	346.05	5.69	-46.22
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300017329835	0	39	-1.0	-50.02	318.23	5.67	-44.35
CC1=CC=C(Br)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329836	0	37	-1.0	-54.75	320.80	5.56	-49.19
COC(=O)C1=COC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329837	0	37	-1.0	-55.76	314.62	3.45	-52.31
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=N1	REAL300017329838	0	45	-1.0	-58.79	362.19	5.18	-53.61
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017329839	0	36	-1.0	-53.17	306.26	3.91	-49.26
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329840	0	44	-1.0	-61.97	351.87	4.37	-57.60
COC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)SC=C1	REAL300017329841	0	35	-1.0	-44.88	295.43	2.49	-42.39
CC(=O)NC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1C	REAL300017329842	0	44	-1.0	-64.02	345.75	4.38	-59.64
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCCC(F)(F)F	REAL300017329843	0	36	-1.0	-59.01	299.53	4.34	-54.67
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017329844	0	39	-1.0	-59.71	321.32	4.76	-54.95
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017329845	0	40	-1.0	-46.54	321.82	1.92	-44.62
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017329846	0	46	-1.0	-55.79	348.54	5.11	-50.68
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017329847	0	36	-1.0	-50.98	307.80	3.77	-47.21
CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329848	0	37	-1.0	-42.29	314.06	5.21	-37.08
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329849	0	42	-1.0	-63.50	326.61	4.93	-58.57
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CN=C1Cl	REAL300017329850	0	36	-1.0	-49.21	315.14	3.38	-45.83
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017329851	0	40	-1.0	-55.36	323.74	3.62	-51.74
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017329852	0	33	-1.0	-54.81	295.29	4.35	-50.46
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017329853	0	43	-1.0	-55.67	347.11	6.26	-49.41
CC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1C#N	REAL300017329854	0	38	-1.0	-45.67	312.35	4.93	-40.74
COC1=CC(OC)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329855	0	42	-1.0	-57.19	333.24	3.17	-54.02
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017329856	0	35	-1.0	-37.08	308.71	5.36	-31.72
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017329857	0	40	-1.0	-59.65	320.53	5.92	-53.73
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300017329858	0	42	-1.0	-66.25	327.41	6.19	-60.06
CCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1CC	REAL300017329859	0	46	-1.0	-55.43	349.71	7.15	-48.28
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329860	0	42	-1.0	-47.37	339.80	6.34	-41.03
CC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1Cl	REAL300017329861	0	37	-1.0	-56.82	296.23	5.41	-51.41
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C(C)O1	REAL300017329862	0	40	-1.0	-41.30	331.83	3.77	-37.53
CC1=C(C)SC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329863	0	37	-1.0	-55.89	307.72	5.03	-50.86
CC1=CC=CC(F)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329864	0	37	-1.0	-55.83	299.74	4.94	-50.89
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017329865	0	35	-1.0	-50.62	307.23	2.04	-48.58
CCC1=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S1	REAL300017329866	0	36	-1.0	-52.91	304.04	3.14	-49.77
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017329867	0	40	-1.0	-39.69	323.31	6.12	-33.57
COC(=O)C1=NSC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329868	0	36	-1.0	-46.48	307.42	2.89	-43.59
COC(=O)C1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)SC=N1	REAL300017329869	1	36	-1.0	-58.02	309.20	2.79	-55.23
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC(C)=C1F	REAL300017329870	0	40	-1.0	-51.74	321.24	5.90	-45.84
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017329871	0	42	-1.0	-68.34	333.81	3.01	-65.33
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017329872	0	45	-1.0	-55.25	334.23	3.24	-52.01
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CN1C	REAL300017329873	0	41	-1.0	-56.78	335.61	4.60	-52.18
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017329874	0	33	-1.0	-50.02	284.59	3.20	-46.82
CC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1F	REAL300017329875	0	37	-1.0	-58.28	299.37	4.43	-53.85
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329876	0	45	-1.0	-55.26	367.09	6.00	-49.26
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017329877	0	37	-1.0	-57.96	318.33	5.96	-52.00
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017329878	0	37	-1.0	-57.61	320.90	5.98	-51.63
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017329879	0	34	-1.0	-57.73	285.50	5.15	-52.58
CC1=CC(F)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329880	0	37	-1.0	-52.48	301.96	5.25	-47.23
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CN=C1Cl	REAL300017329881	0	37	-1.0	-48.64	313.25	2.48	-46.16
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017329882	0	38	-1.0	-59.46	322.45	5.83	-53.63
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=N1	REAL300017329883	0	39	-1.0	-51.12	324.94	3.31	-47.81
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017329884	0	33	-1.0	-54.49	289.97	3.78	-50.71
COCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329885	0	41	-1.0	-54.95	339.57	3.89	-51.06
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329886	0	39	-1.0	-55.82	314.22	4.86	-50.96
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329887	0	40	-1.0	-52.91	344.10	5.75	-47.16
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017329888	0	37	-1.0	-38.22	324.28	2.05	-36.17
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=N1	REAL300017329889	0	40	-1.0	-52.40	323.53	2.07	-50.33
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017329890	0	43	-1.0	-68.47	359.23	2.75	-65.72
CC(=O)NC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1F	REAL300017329891	0	41	-1.0	-62.35	346.20	3.16	-59.19
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C21	REAL300017329892	0	48	-1.0	-72.55	365.04	6.24	-66.31
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017329893	0	37	-1.0	-44.16	302.10	3.04	-41.12
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329894	0	40	-1.0	-37.71	328.36	5.90	-31.81
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329895	0	44	-1.0	-67.24	355.09	2.02	-65.22
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C2CC1	REAL300017329896	0	51	-1.0	-61.60	386.41	6.46	-55.14
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300017329897	0	43	-1.0	-55.94	359.08	5.97	-49.97
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329898	0	43	-1.0	-40.93	348.13	6.88	-34.05
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017329899	0	37	-1.0	-42.22	311.37	5.57	-36.65
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017329900	0	37	-1.0	-37.58	312.94	6.06	-31.52
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329901	0	48	-1.0	-61.37	385.77	2.77	-58.60
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329902	0	47	-1.0	-61.42	370.92	6.09	-55.33
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1C	REAL300017329903	0	46	-1.0	-52.95	377.18	6.26	-46.69
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329904	0	46	-1.0	-61.45	373.04	6.93	-54.52
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1OC	REAL300017329905	0	45	-1.0	-45.18	365.98	4.17	-41.01
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C(F)C=C1C	REAL300017329906	0	46	-1.0	-55.59	363.73	6.53	-49.06
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017329907	0	40	-1.0	-55.63	336.13	6.71	-48.92
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329908	0	43	-1.0	-59.27	348.22	5.99	-53.28
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017329909	0	44	-1.0	-58.36	348.40	7.95	-50.41
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329910	0	48	-1.0	-55.24	403.62	1.94	-53.30
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300017329911	0	37	-1.0	-56.91	314.58	6.00	-50.91
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CN1C	REAL300017329912	0	46	-1.0	-54.88	376.45	5.72	-49.16
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017329913	0	38	-1.0	-58.31	331.31	5.01	-53.30
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017329914	0	37	-1.0	-53.78	318.65	5.09	-48.69
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329915	0	36	-1.0	-40.90	301.47	3.41	-37.49
CC1=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C(Br)N1C	REAL300017329916	0	37	-1.0	-59.59	319.25	4.84	-54.75
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017329917	0	35	-1.0	-48.08	307.89	2.98	-45.10
COC(=O)C(C)(C)CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329918	0	42	-1.0	-53.57	323.19	4.54	-49.03
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329919	0	47	-1.0	-56.05	365.82	5.28	-50.77
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300017329920	0	40	-1.0	-56.59	323.24	5.13	-51.46
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329921	0	45	-1.0	-60.05	360.99	3.91	-56.14
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(=O)OC(C)C	REAL300017329922	0	49	-1.0	-53.31	384.87	7.46	-45.85
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1	REAL300017329923	0	46	-1.0	-57.97	378.04	3.79	-54.18
COC(=O)C1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)CCCC1	REAL300017329924	0	46	-1.0	-57.98	344.12	6.06	-51.92
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329925	0	41	-1.0	-52.90	356.30	4.39	-48.51
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300017329926	0	40	-1.0	-51.04	328.57	6.02	-45.02
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017329927	0	45	-1.0	-53.81	380.21	7.94	-45.87
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329928	0	43	-1.0	-61.73	351.39	5.97	-55.76
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300017329929	0	44	-1.0	-58.85	322.83	5.95	-52.90
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300017329930	0	40	-1.0	-57.92	335.67	6.64	-51.28
COC(=O)C1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)CCC1	REAL300017329931	0	43	-1.0	-59.83	331.80	5.38	-54.45
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017329932	0	34	-1.0	-52.05	306.65	4.81	-47.24
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329933	0	47	-1.0	-56.74	394.35	4.52	-52.22
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329934	0	50	-1.0	-56.71	404.29	5.88	-50.83
COC(=O)C1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)CCCCC1	REAL300017329935	0	49	-1.0	-63.07	369.72	5.78	-57.29
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329936	0	42	-1.0	-61.58	341.34	5.41	-56.17
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017329937	1	36	-1.0	-68.09	299.97	4.34	-63.75
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017329938	0	38	-1.0	-58.98	303.73	3.48	-55.50
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300017329939	0	47	-1.0	-59.60	374.08	8.40	-51.20
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017329940	0	37	-1.0	-56.25	338.33	5.99	-50.26
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017329941	0	37	-1.0	-56.57	320.39	6.03	-50.54
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1F	REAL300017329942	0	38	-1.0	-61.60	321.66	4.82	-56.78
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329943	0	44	-1.0	-56.66	347.65	6.98	-49.68
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC(C)(C)C1CC1	REAL300017329944	0	46	-1.0	-56.59	347.32	5.72	-50.87
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017329945	0	38	-1.0	-56.08	322.14	6.41	-49.67
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCCC(C)(F)F	REAL300017329946	0	39	-1.0	-61.61	314.01	4.86	-56.75
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCCC1=CC=CC=C1	REAL300017329947	0	43	-1.0	-58.71	340.86	6.93	-51.78
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C(C(N)=O)O1	REAL300017329949	0	38	-1.0	-41.76	318.12	-0.42	-42.18
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329953	0	43	-1.0	-56.12	337.87	6.67	-49.45
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017329954	0	43	-1.0	-62.82	336.29	5.42	-57.40
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)F	REAL300017329955	0	34	-1.0	-38.81	291.31	4.14	-34.67
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017329956	0	40	-1.0	-56.00	325.81	6.26	-49.74
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329957	0	50	-1.0	-54.79	397.95	6.87	-47.92
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017329958	0	39	-1.0	-57.77	320.83	4.70	-53.07
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C21	REAL300017329959	0	54	-1.0	-61.80	400.50	6.94	-54.86
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329960	0	41	-1.0	-62.15	338.36	4.85	-57.30
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017329961	0	48	-1.0	-55.70	369.95	4.65	-51.05
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017329962	0	49	-1.0	-67.30	383.27	7.24	-60.06
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CCC[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017331973	0	42	-1.0	-57.73	353.09	7.01	-50.72
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017331974	0	34	-1.0	-51.38	306.59	5.39	-45.99
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017331975	0	37	-1.0	-53.05	328.07	5.15	-47.90
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017331976	0	41	-1.0	-67.48	343.85	2.57	-64.91
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC	REAL300017331977	0	43	-1.0	-57.37	368.95	5.27	-52.10
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1C	REAL300017331978	0	37	-1.0	-41.16	314.81	5.79	-35.37
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1COC	REAL300017331979	0	41	-1.0	-43.91	328.27	4.51	-39.40
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300017331980	0	38	-1.0	-51.45	329.50	4.71	-46.74
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017331981	0	37	-1.0	-56.82	337.03	1.66	-55.16
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017331982	0	37	-1.0	-49.24	337.57	3.38	-45.86
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017331983	0	45	-1.0	-54.29	356.98	5.98	-48.31
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300017331984	0	42	-1.0	-56.60	357.95	1.55	-55.05
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300017331985	0	45	-1.0	-55.52	379.42	2.43	-53.09
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(CNC(=O)CC)=C1	REAL300017331986	0	51	-1.0	-60.00	410.42	3.89	-56.11
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(CC)C=C1	REAL300017331987	0	43	-1.0	-57.69	346.23	6.99	-50.70
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC=C1Br	REAL300017331988	0	38	-1.0	-45.24	326.56	4.56	-40.68
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017331989	0	49	-1.0	-53.91	393.34	5.18	-48.73
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300017331990	0	43	-1.0	-59.17	361.68	3.15	-56.02
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017331991	0	36	-1.0	-50.78	327.79	4.64	-46.14
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1	REAL300017331992	0	39	-1.0	-46.88	352.07	5.43	-41.45
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl	REAL300017331993	0	39	-1.0	-45.96	340.70	5.62	-40.34
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300017331994	0	35	-1.0	-51.60	321.64	5.71	-45.89
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1	REAL300017331995	0	41	-1.0	-54.77	351.34	5.62	-49.15
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017331996	0	48	-1.0	-60.80	396.86	4.26	-56.54
CCC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017331997	0	37	-1.0	-53.65	326.96	5.11	-48.54
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OCC)=CC(F)=C1OC	REAL300017331998	0	47	-1.0	-48.09	394.71	6.06	-42.03
CCC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCOC(C)(C)C1	REAL300017331999	0	43	-1.0	-52.90	323.45	3.46	-49.44
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300017332000	0	44	-1.0	-53.61	353.12	5.62	-47.99
CC1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017361110	0	38	-1.0	-57.28	326.46	5.80	-51.48
N#CCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361111	0	36	-1.0	-62.65	313.68	5.98	-56.67
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC(F)=C1F	REAL300017361112	0	38	-1.0	-50.10	337.78	5.54	-44.56
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C1CC1	REAL300017361113	0	44	-1.0	-54.73	362.92	5.75	-48.98
O=C([O-])C[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C1CC1	REAL300017361114	0	50	-1.0	-54.41	361.70	5.79	-48.62
CC1=NC2=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=CC=C2C=C1	REAL300017361115	0	40	-1.0	-63.67	319.82	5.56	-58.11
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300017361116	0	40	-1.0	-65.28	340.91	6.28	-59.00
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C1CC1	REAL300017361117	0	43	-1.0	-55.44	348.32	3.28	-52.16
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361118	0	46	-1.0	-61.29	377.79	5.01	-56.28
CCCN1C=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361119	0	38	-1.0	-62.68	319.02	5.52	-57.16
N#CC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300017361120	0	33	-1.0	-51.26	306.06	5.51	-45.75
N#CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=CS1	REAL300017361121	0	30	-1.0	-40.36	281.65	3.72	-36.64
O=C([O-])C[C@H](NS(=O)(=O)CC1CCC(F)CC1)C1CC1	REAL300017361122	0	41	-1.0	-56.82	323.46	5.54	-51.28
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1Cl	REAL300017361123	0	35	-1.0	-51.86	306.90	5.91	-45.95
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C1CC1	REAL300017361124	0	38	-1.0	-65.23	320.25	5.77	-59.46
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2)=N1	REAL300017361125	0	41	-1.0	-54.91	357.68	6.28	-48.63
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1F	REAL300017361126	0	38	-1.0	-58.26	335.26	5.72	-52.54
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361127	0	41	-1.0	-59.42	340.40	5.88	-53.54
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361128	0	38	-1.0	-56.52	332.18	6.25	-50.27
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C1CC1	REAL300017361129	0	35	-1.0	-55.97	319.60	5.60	-50.37
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C1CC1	REAL300017361130	0	32	-1.0	-49.99	310.20	5.91	-44.08
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361131	0	39	-1.0	-66.75	328.08	2.24	-64.51
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361132	0	57	-1.0	-53.92	451.78	9.74	-44.18
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361133	0	47	-1.0	-56.20	381.30	7.15	-49.05
CCC1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300017361134	0	43	-1.0	-53.94	336.54	4.88	-49.06
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C1CC1	REAL300017361135	0	38	-1.0	-55.86	327.65	5.94	-49.92
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=CC=C1F)C1CC1	REAL300017361136	0	38	-1.0	-58.42	326.81	5.90	-52.52
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C1CC1	REAL300017361137	0	38	-1.0	-57.29	333.93	6.24	-51.05
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361138	0	36	-1.0	-52.65	316.62	4.58	-48.07
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)C(=O)NCCC2	REAL300017361139	0	47	-1.0	-66.25	365.61	3.00	-63.25
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)S2)C1	REAL300017361140	0	43	-1.0	-59.94	361.69	5.29	-54.65
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)SC2=CC=C(C#N)C=C12	REAL300017361141	0	39	-1.0	-45.10	341.69	6.69	-38.41
COC1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300017361142	0	41	-1.0	-52.92	318.68	2.38	-50.54
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C1CC1	REAL300017361143	0	35	-1.0	-55.54	322.86	5.71	-49.83
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361144	0	45	-1.0	-55.09	358.64	6.73	-48.36
CC(CC(F)(F)F)CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361145	0	37	-1.0	-58.31	311.23	4.59	-53.72
O=C([O-])C[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C1CC1	REAL300017361146	0	39	-1.0	-57.03	343.82	6.02	-51.01
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=C2)=N1	REAL300017361147	0	44	-1.0	-58.24	369.84	4.23	-54.01
COC1=CC(F)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361148	0	36	-1.0	-54.23	296.16	3.98	-50.25
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)O1	REAL300017361149	0	38	-1.0	-54.27	329.12	4.25	-50.02
CCC1=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CN1CC1CC1	REAL300017361150	0	45	-1.0	-59.47	365.56	6.54	-52.93
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2C1	REAL300017361151	0	43	-1.0	-60.09	356.43	5.37	-54.72
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C1CC1	REAL300017361152	0	35	-1.0	-52.91	307.90	4.57	-48.34
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C1CC1	REAL300017361153	0	35	-1.0	-63.70	327.85	4.10	-59.60
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300017361154	0	51	-1.0	-54.50	402.91	7.86	-46.64
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1[N+](=O)[O-]	REAL300017361155	0	40	-1.0	-51.39	341.26	6.60	-44.79
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361156	0	39	-1.0	-50.71	324.84	4.14	-46.57
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C1CC1	REAL300017361157	0	45	-1.0	-51.08	379.49	6.59	-44.49
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C1CC1	REAL300017361158	0	46	-1.0	-53.53	388.93	8.16	-45.37
COC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)C1=CC=C(F)C=C1	REAL300017361159	0	42	-1.0	-55.39	352.98	4.92	-50.47
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C1CC1	REAL300017361160	0	44	-1.0	-55.41	362.61	5.75	-49.66
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017361161	0	40	-1.0	-53.21	353.92	3.66	-49.55
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=CC=C12	REAL300017361162	0	44	-1.0	-55.00	368.12	7.14	-47.86
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017361163	0	43	-1.0	-55.95	355.74	3.85	-52.10
O=C([O-])C[C@H](NS(=O)(=O)CC1(C(F)F)CCCC1)C1CC1	REAL300017361164	0	41	-1.0	-55.30	322.82	5.74	-49.56
CCOC1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CCOCC1	REAL300017361165	0	46	-1.0	-59.23	353.58	3.11	-56.12
CCOC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)C1CC1	REAL300017361166	0	42	-1.0	-58.20	340.06	4.67	-53.53
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1F	REAL300017361167	0	38	-1.0	-58.18	324.97	5.28	-52.90
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=C(Cl)C=C21	REAL300017361168	0	43	-1.0	-54.59	363.63	5.94	-48.65
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361169	0	35	-1.0	-40.99	314.56	2.59	-38.40
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C1CC1	REAL300017361170	0	43	-1.0	-54.38	368.99	9.13	-45.25
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361171	0	35	-1.0	-50.91	319.78	5.66	-45.25
CC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1Br	REAL300017361172	0	35	-1.0	-40.43	306.24	5.65	-34.78
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361173	0	38	-1.0	-55.86	335.77	5.42	-50.44
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1CC1	REAL300017361174	0	40	-1.0	-52.86	329.95	2.51	-50.35
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361175	0	36	-1.0	-53.02	322.24	4.73	-48.29
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300017361176	0	38	-1.0	-50.71	326.96	5.55	-45.16
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361177	0	38	-1.0	-54.87	330.82	6.19	-48.68
COCCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300017361178	0	39	-1.0	-52.89	331.64	2.37	-50.52
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361179	0	45	-1.0	-52.54	364.72	5.63	-46.91
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C1CC1	REAL300017361180	0	39	-1.0	-59.20	335.80	5.35	-53.85
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1C	REAL300017361181	0	59	-1.0	-53.20	465.75	8.92	-44.28
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300017361182	0	40	-1.0	-58.34	349.46	6.54	-51.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C1CC1	REAL300017361183	0	32	-1.0	-49.22	298.45	5.46	-43.76
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C1CC1	REAL300017361184	0	35	-1.0	-58.27	311.47	5.18	-53.09
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C1CC1	REAL300017361185	0	39	-1.0	-67.36	336.73	2.66	-64.70
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300017361186	0	41	-1.0	-58.60	347.39	5.77	-52.83
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361187	0	35	-1.0	-51.79	309.64	5.70	-46.09
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361188	0	39	-1.0	-53.20	323.42	4.37	-48.83
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1Br	REAL300017361189	0	36	-1.0	-51.25	321.37	4.78	-46.47
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C(Cl)S1	REAL300017361190	0	35	-1.0	-47.48	340.07	1.54	-45.94
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C1CC1	REAL300017361191	0	35	-1.0	-58.58	315.81	3.80	-54.78
CC1(C)CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C2O1	REAL300017361192	0	43	-1.0	-54.34	348.90	6.05	-48.29
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017361193	0	40	-1.0	-57.41	351.08	1.55	-55.86
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017361194	0	43	-1.0	-56.46	372.54	2.44	-54.02
CCC(=O)NCC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1OC	REAL300017361195	0	49	-1.0	-59.15	402.35	3.97	-55.18
CCC1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361196	0	41	-1.0	-57.65	342.64	6.53	-51.12
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361197	0	36	-1.0	-40.34	314.94	4.33	-36.01
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C1CC1	REAL300017361198	0	47	-1.0	-57.37	385.20	5.24	-52.13
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361199	0	41	-1.0	-59.25	353.60	3.22	-56.03
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C1CC1	REAL300017361200	0	34	-1.0	-50.86	320.40	4.69	-46.17
CC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1Br	REAL300017361201	0	37	-1.0	-51.40	330.52	5.92	-45.48
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361202	0	37	-1.0	-43.09	323.54	5.29	-37.80
N#CC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361203	0	33	-1.0	-51.57	314.28	5.78	-45.79
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300017361204	0	39	-1.0	-52.39	343.21	5.69	-46.70
O=C([O-])C[C@H](NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C1CC1	REAL300017361205	0	46	-1.0	-61.06	393.23	3.80	-57.26
O=C([O-])C[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C1CC1	REAL300017361206	0	35	-1.0	-59.96	310.37	5.14	-54.82
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361207	0	45	-1.0	-53.38	388.02	5.87	-47.51
CC1(C)CN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CCO1	REAL300017361208	0	41	-1.0	-42.18	326.28	2.73	-39.45
COC1=C(C)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017361209	0	42	-1.0	-52.50	352.12	5.19	-47.31
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361210	0	48	-1.0	-53.82	383.36	7.13	-46.69
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C1CC1	REAL300017361211	0	46	-1.0	-53.60	366.83	7.01	-46.59
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361212	0	45	-1.0	-54.09	364.39	6.53	-47.56
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361213	0	42	-1.0	-54.02	344.29	5.83	-48.19
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017361214	0	36	-1.0	-52.66	316.97	4.66	-48.00
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C1CC1	REAL300017361215	0	36	-1.0	-53.25	326.73	4.93	-48.32
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017361216	0	39	-1.0	-54.48	321.00	4.85	-49.63
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1OC(C)C	REAL300017361217	0	45	-1.0	-54.20	361.43	6.41	-47.79
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1	REAL300017361218	0	39	-1.0	-53.91	321.41	4.44	-49.47
COCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361219	0	43	-1.0	-56.32	356.42	4.30	-52.02
COCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017361220	0	46	-1.0	-56.00	376.48	5.04	-50.96
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC=C1F)C1CC1	REAL300017361221	0	35	-1.0	-58.27	305.05	5.11	-53.16
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361222	0	43	-1.0	-60.73	359.57	4.72	-56.01
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C1CC1	REAL300017361223	0	47	-1.0	-54.24	375.49	4.19	-50.05
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361224	0	42	-1.0	-60.03	341.36	4.94	-55.09
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(Br)=C1	REAL300017361225	0	35	-1.0	-40.59	306.89	5.71	-34.88
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361226	0	38	-1.0	-43.63	343.13	2.41	-41.22
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361227	0	38	-1.0	-59.29	337.57	6.25	-53.04
N#CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017361228	0	33	-1.0	-49.97	307.67	5.61	-44.36
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361229	0	35	-1.0	-51.31	313.04	5.79	-45.52
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1C	REAL300017361230	0	40	-1.0	-59.96	327.03	7.10	-52.86
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361231	0	38	-1.0	-40.27	337.07	5.53	-34.74
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361232	0	41	-1.0	-63.42	352.47	2.70	-60.72
N#CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C(F)(F)F)=C1	REAL300017361233	0	36	-1.0	-52.20	320.72	6.12	-46.08
N#CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1Cl	REAL300017361234	0	33	-1.0	-50.20	307.69	5.61	-44.59
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361235	0	48	-1.0	-54.43	383.60	6.49	-47.94
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1CC1	REAL300017361236	0	44	-1.0	-55.99	380.44	2.65	-53.34
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361237	0	40	-1.0	-56.59	348.04	0.98	-55.61
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300017361238	0	42	-1.0	-64.31	367.37	3.75	-60.56
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)O1	REAL300017361239	0	35	-1.0	-54.54	311.37	3.66	-50.88
CC1=NC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300017361240	0	34	-1.0	-54.47	284.90	2.99	-51.48
O=C([O-])C[C@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1CC1	REAL300017361241	1	34	-1.0	-66.09	305.35	5.97	-60.12
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C1CC1	REAL300017361242	0	35	-1.0	-55.63	333.21	6.10	-49.53
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C(C)N1	REAL300017361243	0	45	-1.0	-55.75	374.46	4.98	-50.77
O=C([O-])C[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C1CC1	REAL300017361244	0	32	-1.0	-59.79	292.16	5.68	-54.11
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)S2)=CS1	REAL300017361245	0	38	-1.0	-54.97	350.56	5.35	-49.62
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C1CC1	REAL300017361246	0	52	-1.0	-53.25	406.02	8.42	-44.83
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C1CC1	REAL300017361247	0	42	-1.0	-58.81	366.08	4.64	-54.17
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361248	0	41	-1.0	-61.18	346.46	5.83	-55.35
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1CC1	REAL300017361249	0	34	-1.0	-54.38	310.57	6.32	-48.06
COC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1OC	REAL300017361250	0	40	-1.0	-56.75	324.32	3.82	-52.93
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1OC	REAL300017361251	0	43	-1.0	-55.54	350.62	4.34	-51.20
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C1CC1	REAL300017361252	1	34	-1.0	-53.53	331.42	7.17	-46.36
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361253	0	40	-1.0	-49.65	338.97	5.60	-44.05
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C1CC1	REAL300017361254	0	35	-1.0	-56.77	317.29	5.16	-51.61
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(N)=O	REAL300017361255	0	37	-1.0	-55.13	320.69	0.44	-54.69
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361256	0	35	-1.0	-51.39	308.48	5.68	-45.71
CCOC(=O)C1CCCN1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361257	0	43	-1.0	-64.13	354.20	5.12	-59.01
CNC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CN1C	REAL300017361258	0	40	-1.0	-55.18	342.64	1.93	-53.25
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1	REAL300017361259	0	42	-1.0	-52.40	333.64	5.07	-47.33
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C1CC1	REAL300017361260	0	40	-1.0	-40.64	344.54	4.10	-36.54
COC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361261	0	41	-1.0	-59.73	354.56	5.76	-53.97
COC(=O)C1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300017361262	0	43	-1.0	-54.77	340.90	4.01	-50.76
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C1CC1	REAL300017361263	0	43	-1.0	-55.82	344.28	5.15	-50.67
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361264	0	41	-1.0	-63.84	354.57	5.74	-58.10
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)O1	REAL300017361265	0	38	-1.0	-54.52	333.23	4.58	-49.94
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361266	0	45	-1.0	-56.86	378.25	5.88	-50.98
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017361267	0	42	-1.0	-54.84	341.47	5.18	-49.66
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C1CC1	REAL300017361268	0	36	-1.0	-64.36	307.18	5.41	-58.95
CCOC(=O)CCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361269	0	40	-1.0	-63.47	338.66	4.58	-58.89
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C1CC1	REAL300017361270	0	35	-1.0	-57.24	315.03	6.39	-50.85
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C1CC1	REAL300017361271	0	34	-1.0	-54.11	315.15	6.42	-47.69
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361272	0	37	-1.0	-60.86	311.26	6.60	-54.26
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C1CC1	REAL300017361273	0	34	-1.0	-37.18	316.24	5.74	-31.44
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Br)C=CS1)C1CC1	REAL300017361274	0	29	-1.0	-38.43	279.67	4.07	-34.36
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=C1COC2=O)C1CC1	REAL300017361275	0	36	-1.0	-52.08	314.98	4.61	-47.47
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CN=C2C=C1	REAL300017361276	0	40	-1.0	-53.36	322.27	5.25	-48.11
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C1CC1	REAL300017361277	0	34	-1.0	-57.56	311.45	3.73	-53.83
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1CC1	REAL300017361278	0	40	-1.0	-58.97	326.27	3.83	-55.14
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C1CC1	REAL300017361279	0	31	-1.0	-38.94	301.30	3.56	-35.38
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C1CC1	REAL300017361280	0	34	-1.0	-52.39	294.65	5.32	-47.07
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C1CC1	REAL300017361281	0	34	-1.0	-47.83	315.85	5.92	-41.91
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361282	0	41	-1.0	-62.99	346.37	3.22	-59.77
CCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300017361283	0	37	-1.0	-56.10	327.09	5.02	-51.08
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C1CC1	REAL300017361284	0	34	-1.0	-58.95	310.61	5.60	-53.35
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C1CC1	REAL300017361285	0	34	-1.0	-48.45	306.74	5.52	-42.93
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C1CC1	REAL300017361286	0	39	-1.0	-54.81	342.36	5.49	-49.32
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C1CC1	REAL300017361287	0	34	-1.0	-56.68	315.02	6.31	-50.37
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1CC1	REAL300017361288	0	46	-1.0	-54.78	382.70	8.08	-46.70
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017361289	0	40	-1.0	-61.87	342.57	1.15	-60.72
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361290	0	40	-1.0	-61.24	334.54	6.07	-55.17
CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300017361291	0	45	-1.0	-53.57	367.39	3.26	-50.31
COC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=C(Cl)N=C2C=C1	REAL300017361292	0	41	-1.0	-56.40	359.45	5.56	-50.84
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1CC1	REAL300017361293	0	42	-1.0	-53.71	357.86	6.32	-47.39
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C2NC=CC=C12)C1CC1	REAL300017361294	0	35	-1.0	-69.85	306.57	3.49	-66.36
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361295	0	54	-1.0	-55.13	409.84	7.32	-47.81
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361296	0	40	-1.0	-59.44	349.10	1.42	-58.02
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1)C1CC1	REAL300017361297	0	35	-1.0	-58.49	306.15	5.16	-53.33
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1F	REAL300017361298	0	38	-1.0	-63.42	336.53	2.35	-61.07
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300017361299	0	45	-1.0	-45.87	368.37	6.75	-39.12
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361300	0	42	-1.0	-59.29	327.34	5.30	-53.99
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C1CC1	REAL300017361301	0	37	-1.0	-63.02	317.08	5.22	-57.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C1CC1	REAL300017361302	0	39	-1.0	-55.19	331.74	5.86	-49.33
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C1CC1	REAL300017361303	0	34	-1.0	-49.56	315.84	5.93	-43.63
N#CC1=C(F)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361304	0	33	-1.0	-44.26	295.44	4.59	-39.67
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361305	0	46	-1.0	-55.87	378.26	5.27	-50.60
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361306	0	48	-1.0	-53.96	387.28	7.39	-46.57
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1CC1	REAL300017361307	0	34	-1.0	-64.48	313.93	6.49	-57.99
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1F	REAL300017361308	0	38	-1.0	-51.91	330.79	5.48	-46.43
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C(Cl)C=C1Cl	REAL300017361309	0	38	-1.0	-38.33	351.98	5.95	-32.38
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361310	0	42	-1.0	-61.81	344.37	4.57	-57.24
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300017361311	0	38	-1.0	-61.30	340.64	5.43	-55.87
COC(=O)C1=CSC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361312	0	35	-1.0	-54.49	319.14	4.47	-50.02
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361313	0	44	-1.0	-60.53	363.97	6.39	-54.14
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1Cl	REAL300017361314	0	38	-1.0	-51.18	338.77	5.84	-45.34
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1C	REAL300017361315	0	41	-1.0	-55.42	342.72	5.96	-49.46
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361316	0	38	-1.0	-59.65	321.20	5.29	-54.36
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C1CC1	REAL300017361317	0	42	-1.0	-55.44	332.56	6.89	-48.55
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C1CC1	REAL300017361318	0	38	-1.0	-57.08	324.44	6.18	-50.90
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C1CC1	REAL300017361319	0	31	-1.0	-49.89	288.57	3.53	-46.36
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C1CC1	REAL300017361320	0	36	-1.0	-51.01	327.83	6.27	-44.74
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2COCC2=C1)C1CC1	REAL300017361321	0	37	-1.0	-53.76	308.10	4.08	-49.68
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C1CC1	REAL300017361322	0	37	-1.0	-53.53	322.14	0.24	-53.29
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2S1	REAL300017361323	0	46	-1.0	-53.67	385.12	6.73	-46.94
COC(=O)CC1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300017361324	0	41	-1.0	-55.90	341.87	4.91	-50.99
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361325	0	37	-1.0	-53.99	333.25	4.22	-49.77
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C(F)C=C1F	REAL300017361326	0	35	-1.0	-53.86	292.42	5.31	-48.55
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361327	0	39	-1.0	-56.71	329.18	5.11	-51.60
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300017361328	0	44	-1.0	-54.95	362.86	6.31	-48.64
CCCCCCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(=O)NC1=O	REAL300017361329	0	50	-1.0	-63.71	402.92	5.55	-58.16
CC1=CN(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2F)N=C1	REAL300017361330	0	42	-1.0	-53.04	355.04	6.67	-46.37
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300017361331	0	39	-1.0	-42.45	342.13	3.11	-39.34
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361332	0	39	-1.0	-61.33	339.84	-0.88	-62.21
CC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017361333	0	35	-1.0	-55.22	292.32	5.31	-49.91
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017361334	0	37	-1.0	-37.07	327.84	6.10	-30.97
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C1CC1	REAL300017361335	0	29	-1.0	-53.73	276.21	3.60	-50.13
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)OC2=CC=C(F)C=C12	REAL300017361336	0	38	-1.0	-54.89	324.89	6.14	-48.75
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C1CC1	REAL300017361337	0	29	-1.0	-35.73	298.86	4.68	-31.05
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1)C1CC1	REAL300017361338	0	35	-1.0	-53.44	316.52	6.29	-47.15
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C1CC1	REAL300017361339	0	35	-1.0	-53.32	326.83	6.73	-46.59
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC(Cl)=CC=C2S1	REAL300017361340	0	38	-1.0	-55.37	346.11	7.18	-48.19
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12)C1CC1	REAL300017361341	0	35	-1.0	-53.12	330.59	6.13	-46.99
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C1CC1	REAL300017361342	0	38	-1.0	-57.61	324.04	7.09	-50.52
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C1CC1	REAL300017361343	0	38	-1.0	-45.12	334.90	6.98	-38.14
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(=O)NCC(F)(F)F	REAL300017361344	0	43	-1.0	-54.45	383.45	3.23	-51.22
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CN1C	REAL300017361345	0	42	-1.0	-56.18	353.98	5.78	-50.40
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C2O1	REAL300017361346	0	46	-1.0	-56.70	384.94	7.05	-49.65
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017361347	0	38	-1.0	-58.07	336.54	2.35	-55.72
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361348	0	41	-1.0	-56.70	363.70	3.87	-52.83
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361349	0	45	-1.0	-58.62	378.85	6.37	-52.25
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)SC2=CC=CC(F)=C12	REAL300017361350	0	38	-1.0	-45.08	328.53	6.52	-38.56
O=C([O-])C[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C1CC1	REAL300017361351	0	43	-1.0	-61.18	375.99	1.43	-59.75
N#CC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017361352	1	33	-1.0	-55.31	300.10	5.44	-49.87
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1N(C)C	REAL300017361353	0	43	-1.0	-55.89	346.35	5.46	-50.43
CN1C(Cl)=NC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361354	0	32	-1.0	-48.67	294.53	3.18	-45.49
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361355	0	37	-1.0	-54.12	332.43	6.22	-47.90
CSC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017361356	0	36	-1.0	-52.12	326.66	6.28	-45.84
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)N=C1Cl	REAL300017361357	0	32	-1.0	-55.43	291.93	3.51	-51.92
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361358	0	35	-1.0	-59.61	319.78	4.97	-54.64
O=C([O-])C[C@H](NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1)C1CC1	REAL300017361359	0	44	-1.0	-55.54	377.06	6.87	-48.67
CN(C)C1=CC=C(Br)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361360	0	40	-1.0	-42.17	339.23	5.48	-36.69
CC1=NN2C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=NC2=C1Cl	REAL300017361361	0	37	-1.0	-49.61	330.24	4.65	-44.96
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361362	0	38	-1.0	-56.38	337.13	6.14	-50.24
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361363	0	44	-1.0	-52.75	350.76	4.75	-48.00
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C12	REAL300017361364	0	39	-1.0	-49.73	332.72	2.48	-47.25
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC([N+](=O)[O-])=C1F	REAL300017361365	0	37	-1.0	-54.07	325.17	6.09	-47.98
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C1CC1	REAL300017361366	0	38	-1.0	-53.44	339.14	7.65	-45.79
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361367	0	38	-1.0	-56.21	326.79	5.70	-50.51
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C1CC1	REAL300017361368	0	35	-1.0	-70.70	315.63	4.16	-66.54
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C1CC1	REAL300017361369	0	35	-1.0	-55.19	333.19	6.16	-49.03
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361370	0	40	-1.0	-74.03	339.06	1.99	-72.04
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C1CC1	REAL300017361371	0	31	-1.0	-36.56	296.92	3.52	-33.04
COC(=O)C1CCCCC1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361372	0	44	-1.0	-62.80	339.22	5.56	-57.24
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2)CC1	REAL300017361373	0	45	-1.0	-56.88	369.78	7.43	-49.45
O=C([O-])C[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C1CC1	REAL300017361374	0	39	-1.0	-63.75	317.51	4.77	-58.98
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361375	0	36	-1.0	-57.22	334.77	5.84	-51.38
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C1CC1	REAL300017361376	0	38	-1.0	-51.30	340.96	2.83	-48.47
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361377	0	36	-1.0	-52.73	316.61	4.58	-48.15
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C1CC1	REAL300017361378	0	41	-1.0	-65.68	343.36	8.10	-57.58
CCC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C(C(=O)OC)O1	REAL300017361379	0	41	-1.0	-54.40	356.64	4.61	-49.79
O=C([O-])C[C@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C1CC1	REAL300017361380	0	49	-1.0	-58.53	379.72	6.36	-52.17
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1F	REAL300017361381	0	39	-1.0	-52.04	326.65	4.47	-47.57
O=C([O-])C[C@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C1CC1	REAL300017361382	0	52	-1.0	-55.52	395.40	6.00	-49.52
O=C([O-])C[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C1CC1	REAL300017361383	0	46	-1.0	-58.98	368.61	4.57	-54.41
O=C([O-])C[C@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C1CC1	REAL300017361384	0	43	-1.0	-59.93	373.75	5.11	-54.82
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361385	0	40	-1.0	-53.33	349.01	6.40	-46.93
N#CC1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CCCCC1	REAL300017361386	0	42	-1.0	-67.26	330.99	5.27	-61.99
CC1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CCCCC1	REAL300017361387	0	44	-1.0	-56.75	325.81	5.87	-50.88
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C1CC1	REAL300017361388	0	41	-1.0	-55.03	337.18	5.62	-49.41
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C1CC1	REAL300017361389	0	35	-1.0	-56.31	310.93	3.57	-52.74
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1F	REAL300017361390	0	36	-1.0	-51.40	307.17	4.18	-47.22
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361391	0	43	-1.0	-61.11	367.69	4.38	-56.73
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361392	0	46	-1.0	-60.91	394.85	5.51	-55.40
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361393	0	41	-1.0	-56.51	328.92	6.28	-50.23
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C1CC1	REAL300017361394	0	46	-1.0	-58.90	371.52	7.26	-51.64
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C2O1	REAL300017361395	0	47	-1.0	-53.18	392.51	7.72	-45.46
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361396	0	44	-1.0	-60.87	368.33	6.76	-54.11
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C1CC1	REAL300017361397	0	32	-1.0	-39.37	306.79	5.46	-33.91
CC1=C(Cl)SC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361398	0	32	-1.0	-52.02	300.10	5.01	-47.01
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017361399	0	36	-1.0	-57.98	295.92	3.94	-54.04
CC1=CC=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1[N+](=O)[O-]	REAL300017361400	0	40	-1.0	-65.89	331.56	7.17	-58.72
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C1CC1	REAL300017361401	0	38	-1.0	-56.98	332.45	6.60	-50.38
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1[N+](=O)[O-]	REAL300017361402	0	42	-1.0	-47.15	362.54	7.18	-39.97
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361403	0	40	-1.0	-56.76	335.81	3.30	-53.46
CN(C)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361404	0	40	-1.0	-56.11	322.97	5.20	-50.91
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1CC1	REAL300017361405	0	38	-1.0	-53.84	322.88	4.77	-49.07
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C1CC1	REAL300017361407	0	35	-1.0	-54.06	300.99	5.91	-48.15
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C1CC1	REAL300017361408	0	35	-1.0	-49.42	327.58	6.29	-43.13
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C1CC1	REAL300017361409	0	35	-1.0	-53.72	305.17	5.65	-48.07
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361410	0	35	-1.0	-53.98	314.83	6.06	-47.92
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361411	0	43	-1.0	-60.04	339.63	2.23	-57.81
CSC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361412	0	36	-1.0	-58.49	313.06	5.37	-53.12
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361413	0	43	-1.0	-62.69	344.82	3.88	-58.81
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C1CC1	REAL300017361414	0	44	-1.0	-56.36	368.22	4.32	-52.04
COC1=C(F)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017361415	0	38	-1.0	-48.00	334.90	5.62	-42.38
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017361416	0	42	-1.0	-54.35	361.01	4.05	-50.30
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C1CC1	REAL300017361417	0	43	-1.0	-60.22	370.34	6.62	-53.60
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(OC)=C1	REAL300017361418	0	42	-1.0	-55.72	344.43	4.57	-51.15
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361419	0	35	-1.0	-50.77	319.79	5.67	-45.10
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017361420	0	40	-1.0	-58.23	336.61	6.22	-52.01
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C1CC1	REAL300017361421	0	40	-1.0	-63.23	339.63	5.62	-57.61
O=C([O-])C[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C1CC1	REAL300017361422	0	38	-1.0	-42.44	311.18	0.32	-42.12
CN1C(=O)N(C)C2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300017361423	0	42	-1.0	-56.97	351.70	5.72	-51.25
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C1CC1	REAL300017361424	0	37	-1.0	-56.23	319.72	4.98	-51.25
COC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017361425	0	36	-1.0	-57.54	308.82	4.33	-53.21
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1	REAL300017361426	0	42	-1.0	-53.57	343.27	5.37	-48.20
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361427	0	40	-1.0	-60.45	348.05	0.98	-59.47
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361428	0	41	-1.0	-57.63	348.99	5.98	-51.65
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C1CC1	REAL300017361429	0	36	-1.0	-54.91	295.32	4.05	-50.86
CSC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361430	0	36	-1.0	-54.41	311.65	5.83	-48.58
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361431	0	44	-1.0	-52.03	366.94	7.43	-44.60
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361432	0	42	-1.0	-59.67	345.30	4.77	-54.90
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300017361433	0	38	-1.0	-58.72	338.46	6.08	-52.64
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361434	0	43	-1.0	-56.72	342.91	6.54	-50.18
CCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)N=C1C	REAL300017361435	0	38	-1.0	-59.39	317.30	4.46	-54.93
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C1CC1	REAL300017361436	0	31	-1.0	-41.69	294.65	3.34	-38.35
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C1CC1	REAL300017361437	0	38	-1.0	-57.22	321.03	3.92	-53.30
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C1CC1	REAL300017361438	0	37	-1.0	-54.52	313.19	4.74	-49.78
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C1CC1	REAL300017361439	0	44	-1.0	-56.00	370.96	6.24	-49.76
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(F)=C1F)C1CC1	REAL300017361440	0	32	-1.0	-59.32	271.92	4.66	-54.66
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C1CC1	REAL300017361441	0	32	-1.0	-55.37	287.73	5.27	-50.10
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300017361442	0	38	-1.0	-55.41	325.86	6.33	-49.08
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C1CC1	REAL300017361443	0	38	-1.0	-57.74	344.54	5.67	-52.07
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C12	REAL300017361444	0	40	-1.0	-53.30	338.55	4.44	-48.86
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C1CC1	REAL300017361445	0	35	-1.0	-57.96	326.35	5.74	-52.22
CC1=NOC2=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C12	REAL300017361446	0	36	-1.0	-50.31	311.82	1.73	-48.58
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C1CC1	REAL300017361447	0	41	-1.0	-57.18	352.99	7.65	-49.53
COCC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361448	0	39	-1.0	-56.45	323.87	4.77	-51.68
O=C([O-])C[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C1CC1	REAL300017361449	0	34	-1.0	-35.18	313.69	5.70	-29.48
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C(C(=O)OC)S1	REAL300017361450	0	41	-1.0	-59.60	372.39	5.42	-54.18
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361451	0	38	-1.0	-59.64	327.25	5.80	-53.84
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C1CC1	REAL300017361452	0	35	-1.0	-56.85	313.32	5.53	-51.32
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C1CC1	REAL300017361453	0	44	-1.0	-69.88	368.08	3.31	-66.57
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C1CC1	REAL300017361454	0	39	-1.0	-56.45	345.74	4.88	-51.57
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C1CC1	REAL300017361455	0	32	-1.0	-37.12	303.72	5.52	-31.60
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CN=C21	REAL300017361456	0	40	-1.0	-50.59	341.10	2.18	-48.41
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1F	REAL300017361489	0	41	-1.0	-51.72	352.65	6.41	-45.31
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1CC1	REAL300017361490	0	40	-1.0	-57.36	337.80	4.73	-52.63
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C1CC1	REAL300017361491	0	32	-1.0	-37.17	288.83	4.96	-32.21
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361492	0	51	-1.0	-64.89	409.55	7.35	-57.54
O=C([O-])C[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C1CC1	REAL300017361493	0	35	-1.0	-56.68	326.80	5.99	-50.69
N#CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(Cl)=C1	REAL300017361494	0	33	-1.0	-37.84	303.10	5.28	-32.56
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017361495	0	39	-1.0	-60.34	335.51	4.06	-56.28
CC1CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C2O1	REAL300017361496	0	40	-1.0	-54.16	328.47	5.42	-48.74
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017361497	0	36	-1.0	-38.67	330.24	4.77	-33.90
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361498	0	44	-1.0	-53.15	334.86	7.44	-45.71
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361499	0	44	-1.0	-60.54	364.96	3.32	-57.22
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CS1	REAL300017361500	0	35	-1.0	-54.21	315.20	4.73	-49.48
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361501	0	41	-1.0	-59.46	359.54	6.73	-52.73
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1CC1	REAL300017361502	0	43	-1.0	-54.16	377.80	8.20	-45.96
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C1CC1	REAL300017361503	0	38	-1.0	-55.36	337.51	5.56	-49.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C1CC1	REAL300017361504	0	38	-1.0	-57.44	354.86	6.12	-51.32
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1C	REAL300017361505	0	41	-1.0	-54.93	340.99	5.58	-49.35
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C1CC1	REAL300017361506	0	34	-1.0	-48.28	321.64	6.07	-42.21
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361507	0	36	-1.0	-48.98	332.75	4.88	-44.10
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361508	0	44	-1.0	-53.71	356.52	4.93	-48.78
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300017361509	0	46	-1.0	-39.61	364.53	3.96	-35.65
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2)=CO1	REAL300017361510	0	41	-1.0	-57.00	348.25	3.91	-53.09
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C1CC1	REAL300017361511	0	31	-1.0	-47.39	295.83	4.11	-43.28
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2O1)C1CC1	REAL300017361512	0	35	-1.0	-57.13	301.47	5.28	-51.85
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C1CC1	REAL300017361513	0	35	-1.0	-52.46	298.22	3.46	-49.00
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C1CC1	REAL300017361514	0	40	-1.0	-54.43	322.52	5.67	-48.76
COC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361515	0	36	-1.0	-40.84	311.82	4.19	-36.65
COC(=O)C1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CC=C2S1	REAL300017361516	0	41	-1.0	-59.34	362.90	7.40	-51.94
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361517	0	41	-1.0	-61.14	348.39	6.25	-54.89
O=C([O-])C[C@H](NS(=O)(=O)C1CC2=CC=CC=C2C1)C1CC1	REAL300017361518	0	39	-1.0	-42.35	314.46	5.90	-36.45
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=N2)C=C1	REAL300017361519	0	42	-1.0	-53.27	353.86	6.54	-46.73
O=C([O-])C[C@H](NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C1CC1	REAL300017361520	0	50	-1.0	-56.91	412.26	6.34	-50.57
O=C([O-])C[C@H](NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C1CC1	REAL300017361521	0	50	-1.0	-48.32	408.57	6.14	-42.18
O=C([O-])C[C@H](NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C1CC1	REAL300017361522	0	47	-1.0	-56.35	396.15	5.40	-50.95
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300017361523	0	34	-1.0	-51.30	309.21	5.12	-46.18
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C21	REAL300017361524	0	43	-1.0	-74.30	350.97	5.81	-68.49
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C1CC1	REAL300017361525	0	32	-1.0	-39.76	302.86	5.52	-34.24
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C1CC1	REAL300017361526	0	32	-1.0	-49.39	307.58	5.87	-43.52
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361527	0	42	-1.0	-58.18	341.31	6.06	-52.12
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1C#N	REAL300017361528	0	36	-1.0	-52.06	311.41	5.69	-46.37
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017361529	0	38	-1.0	-52.21	330.77	5.49	-46.72
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361530	0	36	-1.0	-56.60	306.45	4.45	-52.15
COC1=CC=C(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361531	0	39	-1.0	-57.67	321.22	4.48	-53.19
N#CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300017361532	0	33	-1.0	-49.81	311.96	5.69	-44.12
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017361533	0	39	-1.0	-54.67	338.28	4.85	-49.82
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300017361534	0	38	-1.0	-39.83	347.26	5.28	-34.55
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017361535	0	39	-1.0	-56.01	334.02	3.79	-52.22
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1OC	REAL300017361536	0	40	-1.0	-42.08	343.43	4.11	-37.97
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C1CC1	REAL300017361537	0	36	-1.0	-52.99	316.92	4.45	-48.54
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C1CC1	REAL300017361538	0	35	-1.0	-51.15	315.78	5.86	-45.29
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017361539	0	43	-1.0	-57.28	364.36	1.75	-55.53
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C2S1	REAL300017361540	0	44	-1.0	-53.57	386.09	7.85	-45.72
N#CCC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361541	0	36	-1.0	-62.61	311.05	6.21	-56.40
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(Br)=C1	REAL300017361542	0	36	-1.0	-41.72	314.94	4.33	-37.39
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300017361543	0	37	-1.0	-59.66	329.13	0.35	-59.31
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)OCO2	REAL300017361544	0	38	-1.0	-54.77	317.71	3.84	-50.93
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361545	0	38	-1.0	-52.23	315.67	5.30	-46.93
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C1CC1	REAL300017361546	0	32	-1.0	-37.78	301.48	5.42	-32.36
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361547	0	38	-1.0	-49.11	310.58	5.86	-43.25
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C1CC1	REAL300017361548	0	32	-1.0	-36.61	302.20	5.55	-31.06
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)OCC(=O)N2	REAL300017361549	0	42	-1.0	-58.13	340.33	1.14	-56.99
N#CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300017361550	0	30	-1.0	-52.36	280.63	4.65	-47.71
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C1CC1	REAL300017361551	0	33	-1.0	-58.83	290.75	2.54	-56.29
COC1=CN=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361552	0	35	-1.0	-53.30	296.82	2.20	-51.10
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C1CC1	REAL300017361553	0	32	-1.0	-57.79	286.22	5.21	-52.58
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1OC	REAL300017361554	0	42	-1.0	-53.91	354.03	5.50	-48.41
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361555	0	36	-1.0	-57.72	322.71	2.09	-55.63
CCOC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361556	0	39	-1.0	-55.26	320.16	5.27	-49.99
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=C2O1	REAL300017361557	0	43	-1.0	-60.84	339.08	5.32	-55.52
N#CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1C(F)(F)F	REAL300017361558	0	36	-1.0	-52.97	328.11	5.99	-46.98
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361596	0	33	-1.0	-42.83	304.93	4.97	-37.86
CC1=CC=C(C#N)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361597	0	36	-1.0	-56.87	312.50	5.57	-51.30
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(=O)N(C)C	REAL300017361598	0	46	-1.0	-58.29	371.93	4.32	-53.97
CC1CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC(Cl)=C2O1	REAL300017361599	0	40	-1.0	-54.55	345.23	5.92	-48.63
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300017361600	0	37	-1.0	-49.98	316.32	5.97	-44.01
CC1=CC=C(Br)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361601	0	35	-1.0	-40.31	309.44	5.74	-34.57
COC(=O)C1=COC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361602	0	35	-1.0	-55.56	311.58	3.64	-51.92
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300017361603	0	43	-1.0	-58.49	358.95	5.50	-52.99
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C1CC1	REAL300017361604	0	34	-1.0	-52.95	303.46	4.25	-48.70
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361605	0	42	-1.0	-63.22	349.54	5.46	-57.76
COC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)SC=C1	REAL300017361606	0	33	-1.0	-44.19	291.36	3.19	-41.00
CC(=O)NC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1C	REAL300017361607	0	42	-1.0	-68.66	346.61	4.56	-64.10
O=C([O-])C[C@H](NS(=O)(=O)CCCC(F)(F)F)C1CC1	REAL300017361608	0	34	-1.0	-58.99	300.96	4.01	-54.98
O=C([O-])C[C@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C1CC1	REAL300017361609	0	37	-1.0	-62.94	323.09	4.43	-58.51
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2)C1CC1	REAL300017361610	0	38	-1.0	-57.44	323.41	1.80	-55.64
CN1CCCC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C21	REAL300017361611	0	44	-1.0	-57.41	346.56	5.33	-52.08
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C1CC1	REAL300017361612	0	34	-1.0	-50.88	306.14	3.98	-46.90
CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361613	0	35	-1.0	-40.75	306.16	5.58	-35.17
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361614	0	40	-1.0	-62.82	331.67	4.83	-57.99
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CN=C1Cl	REAL300017361615	0	34	-1.0	-49.36	299.40	4.24	-45.12
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C1CC1	REAL300017361616	0	38	-1.0	-55.85	320.22	4.10	-51.75
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C1CC1	REAL300017361617	0	31	-1.0	-54.57	292.64	4.53	-50.04
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300017361618	0	41	-1.0	-55.24	341.12	6.75	-48.49
CC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1C#N	REAL300017361619	0	36	-1.0	-59.48	314.26	5.06	-54.42
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC(OC)=C1	REAL300017361620	0	40	-1.0	-57.07	330.44	3.41	-53.66
N#CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361621	0	33	-1.0	-36.56	303.14	5.27	-31.29
CN1C=NC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300017361622	0	38	-1.0	-59.71	320.42	6.14	-53.57
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300017361623	0	40	-1.0	-63.78	326.17	5.97	-57.81
CCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1CC	REAL300017361624	0	44	-1.0	-55.81	348.48	7.36	-48.45
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361625	0	40	-1.0	-47.20	333.60	6.55	-40.65
CC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1Cl	REAL300017361626	0	35	-1.0	-40.93	303.49	5.49	-35.44
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C(C)O1	REAL300017361627	0	38	-1.0	-54.90	336.68	3.82	-51.08
CC1=C(C)SC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361628	0	35	-1.0	-55.84	304.92	5.22	-50.62
CC1=CC=CC(F)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361629	0	35	-1.0	-55.97	293.69	5.09	-50.88
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361630	0	33	-1.0	-38.88	289.96	1.96	-36.92
CCC1=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300017361631	0	34	-1.0	-52.79	301.16	3.34	-49.45
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C1CC1	REAL300017361632	0	38	-1.0	-61.82	332.23	5.97	-55.85
COC(=O)C1=NSC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361633	0	34	-1.0	-45.98	301.53	3.01	-42.97
COC(=O)C1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)SC=N1	REAL300017361634	1	34	-1.0	-63.47	291.33	2.42	-61.05
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC(C)=C1F	REAL300017361635	0	38	-1.0	-50.45	325.55	5.64	-44.81
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C1CC1	REAL300017361636	0	40	-1.0	-62.69	328.41	3.50	-59.19
O=C([O-])C[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C1CC1	REAL300017361637	0	43	-1.0	-54.09	343.38	2.48	-51.61
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CN1C	REAL300017361638	0	39	-1.0	-61.88	332.11	4.85	-57.03
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=CC(Cl)=C1)C1CC1	REAL300017361639	0	31	-1.0	-50.05	283.99	3.43	-46.62
CC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1F	REAL300017361640	0	35	-1.0	-59.69	285.87	5.25	-54.44
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361641	0	43	-1.0	-53.92	353.91	6.64	-47.28
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C1CC1	REAL300017361642	0	35	-1.0	-56.78	321.78	5.62	-51.16
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C1CC1	REAL300017361643	0	35	-1.0	-57.44	322.33	5.65	-51.79
O=C([O-])C[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C1CC1	REAL300017361644	0	32	-1.0	-60.12	288.61	5.52	-54.60
CC1=CC(F)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361645	0	35	-1.0	-54.62	299.94	5.52	-49.10
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CN=C1Cl	REAL300017361646	0	35	-1.0	-48.50	309.61	2.99	-45.51
N#CC1=CC=C(F)C(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361647	0	36	-1.0	-59.33	325.91	5.50	-53.83
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300017361648	0	37	-1.0	-51.98	322.17	3.57	-48.41
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C1CC1	REAL300017361649	0	31	-1.0	-54.48	287.10	4.04	-50.44
COCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361650	0	39	-1.0	-55.93	326.50	4.54	-51.39
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361651	0	37	-1.0	-55.32	310.48	4.31	-51.01
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361652	0	38	-1.0	-53.00	343.68	5.96	-47.04
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C1CC1	REAL300017361653	0	35	-1.0	-37.11	314.10	2.40	-34.71
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300017361654	0	38	-1.0	-52.09	321.39	2.37	-49.72
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361655	0	41	-1.0	-68.40	356.48	3.01	-65.39
CC(=O)NC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1F	REAL300017361656	0	39	-1.0	-60.04	334.03	3.79	-56.25
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C21	REAL300017361657	0	46	-1.0	-72.92	362.67	6.34	-66.58
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C1CC1	REAL300017361658	0	35	-1.0	-55.97	304.06	2.92	-53.05
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361659	0	38	-1.0	-50.64	330.70	6.14	-44.50
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361660	0	42	-1.0	-66.33	350.43	1.45	-64.88
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2CC1	REAL300017361661	0	49	-1.0	-64.11	385.29	6.76	-57.35
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300017361662	0	41	-1.0	-51.70	356.39	6.27	-45.43
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361663	0	41	-1.0	-40.52	342.64	6.81	-33.71
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC2=CC=CC=C21)C1CC1	REAL300017361664	0	35	-1.0	-53.41	313.83	5.59	-47.82
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C1CC1	REAL300017361665	0	35	-1.0	-53.18	317.53	6.25	-46.93
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361666	0	46	-1.0	-60.93	380.36	3.25	-57.68
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361667	0	45	-1.0	-61.38	366.24	5.49	-55.89
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1C	REAL300017361668	0	44	-1.0	-55.50	364.58	6.89	-48.61
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361669	0	44	-1.0	-61.33	370.26	7.16	-54.17
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1OC	REAL300017361670	0	43	-1.0	-55.95	372.73	4.04	-51.91
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C(F)C=C1C	REAL300017361671	0	44	-1.0	-55.33	359.73	6.76	-48.57
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C1CC1	REAL300017361672	0	38	-1.0	-55.47	337.97	6.38	-49.09
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361673	0	41	-1.0	-59.15	343.07	6.22	-52.93
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C1CC1	REAL300017361674	0	42	-1.0	-56.18	345.65	8.22	-47.96
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361675	0	46	-1.0	-55.95	390.57	2.60	-53.35
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C1CC1	REAL300017361676	0	35	-1.0	-56.51	316.53	5.65	-50.86
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CN1C	REAL300017361677	0	44	-1.0	-54.57	380.47	5.52	-49.05
O=C([O-])C[C@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C1CC1	REAL300017361678	0	36	-1.0	-58.39	325.86	5.18	-53.21
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C1CC1	REAL300017361679	0	35	-1.0	-53.77	303.61	5.67	-48.10
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361680	0	34	-1.0	-48.88	303.88	3.74	-45.14
CC1=NC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C(Br)N1C	REAL300017361681	0	35	-1.0	-57.86	310.96	4.06	-53.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C1CC1	REAL300017361682	0	33	-1.0	-48.32	294.81	3.61	-44.71
COC(=O)C(C)(C)CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361683	0	40	-1.0	-53.05	324.91	4.30	-48.75
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361684	0	45	-1.0	-61.18	361.93	5.93	-55.25
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017361685	0	38	-1.0	-56.82	320.35	5.26	-51.56
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361686	0	43	-1.0	-57.43	359.74	3.43	-54.00
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(=O)OC(C)C	REAL300017361687	0	47	-1.0	-55.76	384.82	7.60	-48.16
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361688	0	44	-1.0	-57.87	375.11	4.02	-53.85
COC(=O)C1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CCCC1	REAL300017361689	0	44	-1.0	-63.68	350.35	5.48	-58.20
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361690	0	39	-1.0	-54.84	343.98	5.03	-49.81
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1C(F)(F)F	REAL300017361691	0	38	-1.0	-50.94	325.86	6.32	-44.62
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C1CC1	REAL300017361692	0	43	-1.0	-52.24	377.79	8.20	-44.04
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361693	0	41	-1.0	-61.31	345.76	6.48	-54.83
O=C([O-])C[C@H](NS(=O)(=O)CC12CCC(CC1)C2)C1CC1	REAL300017361694	0	42	-1.0	-58.12	324.33	5.75	-52.37
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C1CC1	REAL300017361695	0	38	-1.0	-57.08	337.43	6.31	-50.77
COC(=O)C1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CCC1	REAL300017361696	0	41	-1.0	-63.76	338.61	4.76	-59.00
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C1CC1	REAL300017361697	0	32	-1.0	-51.70	303.66	4.97	-46.73
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361698	0	45	-1.0	-61.08	382.00	5.17	-55.91
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361699	0	48	-1.0	-60.83	403.87	6.10	-54.73
COC(=O)C1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CCCCC1	REAL300017361700	0	47	-1.0	-62.96	362.64	5.88	-57.08
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361701	0	40	-1.0	-60.74	348.16	5.31	-55.43
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=N1	REAL300017361702	1	34	-1.0	-64.96	293.12	3.21	-61.75
O=C([O-])C[C@H](NS(=O)(=O)C1=CNC2=CC=CC=C21)C1CC1	REAL300017361703	0	36	-1.0	-58.57	298.83	3.63	-54.94
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)=C2	REAL300017361704	0	45	-1.0	-59.49	371.27	8.64	-50.85
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C1CC1	REAL300017361705	0	35	-1.0	-57.78	331.28	6.10	-51.68
O=C([O-])C[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C1CC1	REAL300017361706	0	35	-1.0	-58.60	322.16	5.69	-52.91
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1F	REAL300017361707	0	36	-1.0	-61.78	316.44	5.20	-56.58
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361708	0	42	-1.0	-56.76	350.56	6.69	-50.07
CC(C)(CCS(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)C1CC1	REAL300017361709	0	44	-1.0	-56.47	340.27	5.81	-50.66
O=C([O-])C[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C1CC1	REAL300017361710	0	36	-1.0	-56.00	319.02	6.57	-49.43
O=C([O-])C[C@H](NS(=O)(=O)CCCC1=CC=CC=C1)C1CC1	REAL300017361711	0	41	-1.0	-58.46	342.74	6.65	-51.81
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C(C(N)=O)O1	REAL300017361713	0	36	-1.0	-58.58	318.35	-0.13	-58.71
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361717	0	41	-1.0	-55.74	330.06	6.77	-48.97
O=C([O-])C[C@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C1CC1	REAL300017361718	0	41	-1.0	-59.14	338.12	5.09	-54.05
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC=C1C(F)F)C1CC1	REAL300017361719	0	32	-1.0	-58.85	290.10	4.47	-54.38
O=C([O-])C[C@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C1CC1	REAL300017361720	0	38	-1.0	-55.98	327.65	5.94	-50.04
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361721	0	48	-1.0	-53.38	392.48	7.05	-46.33
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C1CC1	REAL300017361722	0	37	-1.0	-57.73	313.21	4.80	-52.93
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300017361723	0	52	-1.0	-61.92	399.13	7.27	-54.65
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361724	0	39	-1.0	-54.37	333.05	4.26	-50.11
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C21	REAL300017361725	0	46	-1.0	-55.59	366.36	4.86	-50.73
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C1CC1	REAL300017361726	0	47	-1.0	-67.40	382.80	7.44	-59.96
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C21	REAL300017361727	0	46	-1.0	-67.74	372.27	6.75	-60.99
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C1CC1	REAL300017361728	0	39	-1.0	-55.05	321.10	4.42	-50.63
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C1CC1	REAL300017361729	0	39	-1.0	-41.94	320.12	3.88	-38.06
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C1CC1	REAL300017361730	0	42	-1.0	-49.53	347.93	4.88	-44.65
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C1CC1	REAL300017361738	0	38	-1.0	-54.22	338.00	5.67	-48.55
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C1CC1	REAL300017361739	0	38	-1.0	-54.44	322.16	2.02	-52.42
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Br)C=CO1)C1CC1	REAL300017361740	1	29	-1.0	-41.24	272.05	3.38	-37.86
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C2CCCCN12)C1CC1	REAL300017361741	0	39	-1.0	-52.46	317.83	4.21	-48.25
COC1=C(F)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017361742	0	36	-1.0	-49.19	314.69	4.60	-44.59
COC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017361743	0	36	-1.0	-54.72	301.32	3.98	-50.74
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300017361744	0	57	-1.0	-53.40	445.89	9.42	-43.98
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017361745	0	48	-1.0	-55.94	378.40	6.34	-49.60
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361746	0	42	-1.0	-57.30	351.91	5.68	-51.62
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300017361747	0	55	-1.0	-55.86	436.89	7.27	-48.59
CC1=CSC(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361748	0	35	-1.0	-50.52	300.11	4.93	-45.59
CC1CC2=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=C2O1	REAL300017361749	0	40	-1.0	-59.52	335.23	4.87	-54.65
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300017361750	0	40	-1.0	-52.92	339.83	4.42	-48.50
N#CC1(C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2)CC1	REAL300017361751	0	40	-1.0	-57.75	337.04	7.25	-50.50
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361752	0	36	-1.0	-55.93	315.98	4.91	-51.02
CC1=C(Br)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C(C)S1	REAL300017361753	0	35	-1.0	-52.95	320.23	5.62	-47.33
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(Br)=C1	REAL300017361754	0	35	-1.0	-54.09	316.93	6.72	-47.37
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C21	REAL300017361755	0	49	-1.0	-72.88	381.73	6.89	-65.99
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C1CC1	REAL300017361756	0	38	-1.0	-57.31	331.31	4.93	-52.38
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C21	REAL300017361757	0	46	-1.0	-73.13	371.48	6.40	-66.73
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC=C1Cl)C1CC1	REAL300017361758	0	29	-1.0	-39.04	274.64	3.78	-35.26
CN1N=C(Br)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361759	0	32	-1.0	-40.65	294.91	2.11	-38.54
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C1CC1	REAL300017361760	0	34	-1.0	-49.35	305.57	3.95	-45.40
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361761	0	37	-1.0	-63.67	319.23	3.91	-59.76
O=C([O-])C[C@H](NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C1CC1	REAL300017361762	0	41	-1.0	-54.97	325.60	4.44	-50.53
O=C([O-])C[C@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12)C1CC1	REAL300017361763	0	36	-1.0	-55.89	320.12	4.23	-51.66
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C1CC1	REAL300017361764	0	33	-1.0	-48.19	287.09	3.58	-44.61
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C1CC1	REAL300017361765	0	35	-1.0	-56.47	310.28	6.25	-50.22
O=C([O-])C[C@H](NS(=O)(=O)C1=CNC2=C(Br)C=CC=C12)C1CC1	REAL300017361766	0	36	-1.0	-54.75	320.18	4.23	-50.52
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C1CC1	REAL300017361767	0	35	-1.0	-64.30	323.27	3.99	-60.31
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361768	0	39	-1.0	-49.83	330.45	3.99	-45.84
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1F	REAL300017361769	0	41	-1.0	-51.86	330.74	6.55	-45.31
COC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1OC	REAL300017361770	0	40	-1.0	-54.36	321.06	3.98	-50.38
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C1CC1	REAL300017361771	0	41	-1.0	-62.95	339.78	2.03	-60.92
N#CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1Br	REAL300017361772	0	33	-1.0	-49.88	311.98	5.70	-44.18
O=C([O-])C[C@H](NS(=O)(=O)C1=COC2=CC=CC=C21)C1CC1	REAL300017361773	0	35	-1.0	-55.10	295.13	3.94	-51.16
COC1=CC=C(F)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1OC	REAL300017361774	0	40	-1.0	-57.46	336.99	4.61	-52.85
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361775	1	35	-1.0	-51.72	330.32	4.27	-47.45
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C2CCCC2)=N1	REAL300017361776	0	45	-1.0	-53.97	366.28	5.13	-48.84
N#CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CC=C2S1	REAL300017361777	0	36	-1.0	-55.96	322.57	5.87	-50.09
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C2CC2)=N1	REAL300017361779	0	39	-1.0	-54.45	332.57	4.20	-50.25
O=C([O-])C[C@H](NC(=O)CC1=C(Cl)C=CC=C1Cl)C1CC1	REAL300017361780	0	34	-1.0	-48.68	312.81	8.36	-40.32
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C1CC1	REAL300017361781	0	36	-1.0	-56.32	310.68	4.38	-51.94
O=C([O-])C[C@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C12)C1CC1	REAL300017361782	0	36	-1.0	-59.14	320.17	4.24	-54.90
O=C([O-])C[C@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C1CC1	REAL300017361783	0	35	-1.0	-60.37	304.60	3.39	-56.98
CN1N=NC2=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=CC=C21	REAL300017361784	0	37	-1.0	-66.10	311.73	2.60	-63.50
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300017361786	0	38	-1.0	-55.01	338.19	6.64	-48.37
CC1(C)CCCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C1	REAL300017361787	0	43	-1.0	-54.51	333.90	4.82	-49.69
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C1CC1	REAL300017361788	0	38	-1.0	-50.55	345.38	5.39	-45.16
O=C([O-])C[C@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C1CC1	REAL300017361789	0	35	-1.0	-53.06	310.74	4.67	-48.39
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C2CCC2)=N1	REAL300017361790	0	42	-1.0	-54.00	349.69	4.60	-49.40
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361791	0	50	-1.0	-56.54	389.20	8.13	-48.41
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1CC1	REAL300017361792	0	38	-1.0	-52.18	340.01	6.92	-45.26
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Cl)SC=C1)C1CC1	REAL300017361793	0	29	-1.0	-38.14	275.21	3.93	-34.21
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C1CC1	REAL300017361794	0	42	-1.0	-53.07	345.87	5.40	-47.67
O=C([O-])C[C@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C1CC1	REAL300017361795	0	36	-1.0	-57.50	309.01	6.00	-51.50
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C1CC1	REAL300017361796	0	43	-1.0	-58.61	348.53	6.49	-52.12
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361797	0	45	-1.0	-62.42	361.28	3.21	-59.21
COC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300017361798	0	41	-1.0	-69.64	343.18	5.59	-64.05
CCCC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361799	0	41	-1.0	-55.43	335.83	7.01	-48.42
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361800	0	38	-1.0	-48.49	329.22	2.32	-46.17
N#CC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361801	0	33	-1.0	-38.87	295.98	4.63	-34.24
CN1N=C2CCCC2=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361802	0	39	-1.0	-51.74	324.20	3.78	-47.96
O=C([O-])C[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1CC1	REAL300017361803	0	36	-1.0	-48.24	327.89	6.15	-42.09
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)C=C2C=C1	REAL300017361804	0	44	-1.0	-55.98	372.63	7.67	-48.31
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361805	0	41	-1.0	-53.36	321.48	3.90	-49.46
CC(C)(C)N1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300017361806	0	41	-1.0	-53.34	336.39	4.48	-48.86
O=C([O-])C[C@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C1CC1	REAL300017361807	0	39	-1.0	-52.72	326.73	3.29	-49.43
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CN=C1C(F)(F)F	REAL300017361808	0	37	-1.0	-48.53	319.68	4.84	-43.69
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1CC1	REAL300017361809	0	35	-1.0	-49.60	317.26	5.84	-43.76
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(CF)C=C1)C1CC1	REAL300017361810	0	35	-1.0	-55.95	299.43	5.62	-50.33
O=C([O-])C[C@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C1CC1	REAL300017361811	0	32	-1.0	-53.66	302.94	4.96	-48.70
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C1CC1	REAL300017361812	0	32	-1.0	-49.71	302.69	4.92	-44.79
O=C([O-])C[C@H](NS(=O)(=O)N1CCC(F)(F)CC1)C1CC1	REAL300017361813	0	37	-1.0	-51.84	297.61	3.69	-48.15
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C1CC1	REAL300017361814	0	35	-1.0	-50.64	323.35	6.22	-44.42
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C1CC1	REAL300017361815	0	35	-1.0	-61.62	295.93	5.66	-55.96
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361816	0	43	-1.0	-60.52	353.40	7.09	-53.43
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C1CC1	REAL300017361817	0	43	-1.0	-55.37	345.73	7.31	-48.06
CC1(C)OC(=O)C2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300017361818	0	42	-1.0	-57.40	351.69	6.48	-50.92
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1CC1	REAL300017361819	0	38	-1.0	-51.93	339.58	5.30	-46.63
O=C([O-])C[C@H](NS(=O)(=O)N1CC2=CC=CC=C2C1)C1CC1	REAL300017361820	0	38	-1.0	-52.62	321.37	4.82	-47.80
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361821	0	37	-1.0	-53.40	316.03	4.44	-48.96
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361822	0	42	-1.0	-52.13	367.65	5.58	-46.55
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1)C1CC1	REAL300017361823	0	41	-1.0	-62.94	346.56	4.73	-58.21
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C1CC1	REAL300017361824	0	32	-1.0	-53.90	295.15	4.58	-49.32
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C1CC1	REAL300017361825	0	39	-1.0	-55.00	320.66	6.90	-48.10
COC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=CS1	REAL300017361826	0	33	-1.0	-41.43	293.08	2.91	-38.52
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C1CC1	REAL300017361827	0	35	-1.0	-53.61	306.39	5.84	-47.77
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361828	0	38	-1.0	-52.49	337.44	5.18	-47.31
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C1CC1	REAL300017361829	0	39	-1.0	-57.74	314.82	6.71	-51.03
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C1CC1	REAL300017361830	0	42	-1.0	-49.42	341.47	4.80	-44.62
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361831	0	41	-1.0	-50.02	338.46	4.16	-45.86
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361832	0	41	-1.0	-60.36	339.85	2.58	-57.78
CS(=O)(=O)C1=CSC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361833	0	35	-1.0	-59.83	325.25	1.30	-58.53
CN(C1CCCCCC1)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361834	0	46	-1.0	-53.89	341.34	5.18	-48.71
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361835	0	36	-1.0	-52.74	302.28	4.04	-48.70
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C2CCOCC2)=N1	REAL300017361836	0	46	-1.0	-54.00	373.10	3.27	-50.73
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361837	0	38	-1.0	-53.32	322.02	6.57	-46.75
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C1CC1	REAL300017361838	0	36	-1.0	-54.76	310.70	4.39	-50.37
O=C([O-])C[C@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C1CC1	REAL300017361839	0	47	-1.0	-55.99	370.14	6.77	-49.22
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)S1	REAL300017361840	0	33	-1.0	-54.17	295.07	3.27	-50.90
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300017361841	0	43	-1.0	-63.55	344.09	6.49	-57.06
O=C([O-])C[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C1CC1	REAL300017361842	0	40	-1.0	-54.82	334.93	4.53	-50.29
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(CCF)N=C1)C1CC1	REAL300017361843	0	35	-1.0	-52.72	304.56	3.46	-49.26
CCOCC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361844	0	42	-1.0	-56.46	345.73	5.73	-50.73
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361847	0	42	-1.0	-45.48	352.63	5.16	-40.32
O=C([O-])C[C@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C1CC1	REAL300017361848	0	45	-1.0	-54.33	357.56	5.68	-48.65
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1CC1	REAL300017361849	0	43	-1.0	-53.23	361.06	7.69	-45.54
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1CF)C1CC1	REAL300017361850	0	35	-1.0	-58.17	297.14	5.32	-52.85
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC(C)=C1Br	REAL300017361851	0	38	-1.0	-50.82	336.22	6.05	-44.77
CCN1N=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1Cl	REAL300017361852	0	35	-1.0	-39.48	310.97	3.16	-36.32
O=C([O-])C[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C1CC1	REAL300017361853	0	36	-1.0	-55.83	323.04	6.66	-49.17
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1)=C2	REAL300017361854	0	38	-1.0	-52.99	356.27	6.02	-46.97
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C1CC1	REAL300017361856	0	34	-1.0	-54.22	301.25	3.73	-50.49
O=C([O-])C[C@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C1CC1	REAL300017361857	0	37	-1.0	-62.90	336.79	5.51	-57.39
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C1CC1	REAL300017361858	0	37	-1.0	-58.81	330.21	5.27	-53.54
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300017361859	0	41	-1.0	-45.92	336.04	7.00	-38.92
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361860	0	36	-1.0	-60.38	329.86	5.30	-55.08
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C1CC1	REAL300017361861	0	39	-1.0	-56.86	329.37	5.18	-51.68
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300017361862	0	46	-1.0	-54.02	376.73	6.31	-47.71
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C1CC1	REAL300017361863	0	32	-1.0	-54.13	287.55	5.14	-48.99
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)O1	REAL300017361864	0	38	-1.0	-62.40	335.29	1.19	-61.21
CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C2=CC=CC=C2)=N1	REAL300017361865	0	42	-1.0	-55.81	351.53	5.68	-50.13
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C1CC1	REAL300017361866	0	38	-1.0	-57.36	343.64	2.19	-55.17
O=C([O-])C[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C1CC1	REAL300017361867	0	36	-1.0	-54.35	311.19	6.21	-48.14
O=C([O-])C[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C1CC1	REAL300017361868	0	36	-1.0	-54.01	326.07	6.76	-47.25
O=C([O-])C[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C1CC1	REAL300017361869	0	36	-1.0	-53.68	326.07	6.77	-46.91
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C1CC1	REAL300017361870	0	36	-1.0	-55.68	314.88	6.11	-49.57
COC(=O)C1CCCCN1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361871	0	43	-1.0	-59.07	332.95	5.39	-53.68
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300017361872	0	54	-1.0	-56.16	400.07	8.94	-47.22
N#CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017361873	0	35	-1.0	-51.07	316.90	5.61	-45.46
COC1=CC=C(C=C(C)S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361874	0	43	-1.0	-55.33	348.08	5.12	-50.21
COC(=O)C=CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361875	0	42	-1.0	-56.06	355.49	6.97	-49.09
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=NN1	REAL300017361876	0	38	-1.0	-54.89	332.19	2.72	-52.17
COC1=CSC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1OC	REAL300017361877	0	37	-1.0	-41.79	317.41	2.40	-39.39
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N[C@@H](CC(=O)[O-])C1CC1)C2	REAL300017361878	0	49	-1.0	-48.73	346.99	9.23	-39.50
O=C([O-])C[C@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C1CC1	REAL300017361879	0	44	-1.0	-54.51	338.62	4.82	-49.69
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361880	0	43	-1.0	-55.05	357.86	6.23	-48.82
O=C([O-])C[C@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C1CC1	REAL300017361881	0	43	-1.0	-54.75	354.60	11.28	-43.47
O=C([O-])C[C@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C1CC1	REAL300017361882	0	49	-1.0	-49.17	375.55	10.78	-38.39
CC(C)(C)OC(=O)N1CCN(C(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300017361883	0	50	-1.0	-49.20	380.17	7.34	-41.86
CN(C(=O)N[C@@H](CC(=O)[O-])C1CC1)C1CCS(=O)(=O)C1	REAL300017361884	0	39	-1.0	-53.15	316.69	3.23	-49.92
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361885	0	51	-1.0	-55.22	394.42	7.82	-47.40
COC(=O)C1CN(C(=O)N[C@@H](CC(=O)[O-])C2CC2)CCO1	REAL300017361886	0	40	-1.0	-49.28	321.80	5.93	-43.35
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361887	0	36	-1.0	-55.20	328.24	5.43	-49.77
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C1CC1	REAL300017361888	0	36	-1.0	-51.85	316.08	5.14	-46.71
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C1CC1	REAL300017361889	0	36	-1.0	-57.03	316.43	4.44	-52.59
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361890	0	38	-1.0	-51.64	322.96	4.22	-47.42
CN1C=CC2=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300017361891	0	39	-1.0	-58.18	325.90	6.56	-51.62
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C1CC1	REAL300017361892	0	35	-1.0	-54.70	306.63	5.87	-48.83
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C1CC1	REAL300017361893	0	41	-1.0	-53.73	350.32	5.30	-48.43
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C1CC1	REAL300017361894	0	29	-1.0	-48.76	296.35	4.91	-43.85
CN1N=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1Cl	REAL300017361895	0	32	-1.0	-39.27	289.16	2.29	-36.98
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361896	0	45	-1.0	-52.64	366.67	6.56	-46.08
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC2=C1N(C)C(=O)C2(C)C	REAL300017361897	0	49	-1.0	-53.71	396.96	6.21	-47.50
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C1CC1	REAL300017361898	0	35	-1.0	-51.13	334.14	5.68	-45.45
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C1CC1	REAL300017361899	0	37	-1.0	-54.86	324.65	5.47	-49.39
COC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361900	0	40	-1.0	-57.39	325.77	3.57	-53.82
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1CC1	REAL300017361901	0	43	-1.0	-54.81	358.44	7.94	-46.87
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361902	0	38	-1.0	-62.66	312.62	6.18	-56.48
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C1CC1	REAL300017361903	0	37	-1.0	-53.99	327.01	3.37	-50.62
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C1CC1	REAL300017361904	0	33	-1.0	-55.19	307.78	3.04	-52.15
COCN1N=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361905	0	36	-1.0	-52.52	312.53	0.47	-52.05
CC1=CC(Cl)=NC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361906	0	34	-1.0	-51.01	304.20	3.75	-47.26
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361907	0	43	-1.0	-55.47	352.14	6.66	-48.81
CCN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C2CC2)=N1	REAL300017361908	0	42	-1.0	-53.94	356.39	4.99	-48.95
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=NSN=C2C=C1	REAL300017361909	0	36	-1.0	-61.80	316.58	3.68	-58.12
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C1CC1	REAL300017361910	0	38	-1.0	-53.66	334.59	7.54	-46.12
CC(=O)OC1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C1	REAL300017361911	0	40	-1.0	-54.69	338.74	3.53	-51.16
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C1CC1	REAL300017361912	0	42	-1.0	-53.60	363.10	8.73	-44.87
CCC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1Br	REAL300017361913	0	38	-1.0	-51.53	330.49	6.68	-44.85
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361914	0	45	-1.0	-42.92	359.56	5.18	-37.74
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CS1)C1CC1	REAL300017361915	0	29	-1.0	-51.50	279.90	4.31	-47.19
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361916	0	46	-1.0	-59.31	366.31	4.43	-54.88
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C1CC1	REAL300017361917	0	38	-1.0	-43.61	330.45	7.18	-36.43
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361918	0	40	-1.0	-49.70	327.34	1.90	-47.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1)C1CC1	REAL300017361919	0	39	-1.0	-56.82	320.14	6.48	-50.34
CC1(C)CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300017361920	0	43	-1.0	-53.83	333.18	4.50	-49.33
CC(=O)OCC1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300017361921	0	46	-1.0	-58.45	374.61	5.19	-53.26
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361922	0	46	-1.0	-65.23	383.93	4.97	-60.26
O=C([O-])C[C@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C1CC1	REAL300017361923	0	42	-1.0	-55.85	332.81	2.14	-53.71
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=N1	REAL300017361924	0	38	-1.0	-50.74	319.16	1.79	-48.95
COC1=NC=C(C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361925	0	38	-1.0	-44.91	318.48	2.36	-42.55
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C1CC1	REAL300017361926	0	47	-1.0	-54.47	374.09	5.18	-49.29
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361927	0	35	-1.0	-41.02	312.64	2.40	-38.62
COC1=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017361928	0	38	-1.0	-51.20	316.08	2.44	-48.76
CC(C)CN1C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=N1	REAL300017361929	0	41	-1.0	-55.96	338.59	4.84	-51.12
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361930	0	41	-1.0	-53.01	343.00	3.98	-49.03
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C1CC1	REAL300017361931	0	31	-1.0	-51.39	298.88	2.77	-48.62
N#CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)SC=C1	REAL300017361932	0	30	-1.0	-38.63	280.82	3.74	-34.89
O=C([O-])C[C@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C1CC1	REAL300017361933	0	36	-1.0	-53.43	336.23	7.05	-46.38
CC(C)N1N=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361934	0	38	-1.0	-49.97	320.23	3.53	-46.44
COC(=O)C1=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017361935	0	40	-1.0	-50.20	335.42	4.38	-45.82
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361936	0	35	-1.0	-59.46	314.47	6.09	-53.37
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C1CC1	REAL300017361937	0	39	-1.0	-49.84	327.23	4.47	-45.37
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C1CC1	REAL300017361938	0	39	-1.0	-59.29	327.25	5.75	-53.54
COC1=NOC(CS(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361939	0	35	-1.0	-57.96	307.67	0.66	-57.30
O=C([O-])C[C@H](NS(=O)(=O)N1CCC2=CC=CN=C21)C1CC1	REAL300017361940	0	37	-1.0	-61.43	314.86	4.77	-56.66
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=NN1C(C)C	REAL300017361941	0	41	-1.0	-56.04	341.92	3.99	-52.05
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C1CC1	REAL300017361942	0	39	-1.0	-56.02	331.80	6.94	-49.08
O=C([O-])C[C@H](NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C1CC1	REAL300017361943	0	34	-1.0	-56.87	300.70	3.89	-52.98
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361944	0	46	-1.0	-53.33	381.17	8.40	-44.93
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C1CC1	REAL300017361945	0	39	-1.0	-57.35	332.96	7.04	-50.31
O=C([O-])C[C@H](NC(=O)N1CCC(C(F)(F)F)CC1)C1CC1	REAL300017361946	0	39	-1.0	-47.04	314.81	7.50	-39.54
O=C([O-])C[C@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C12)C1CC1	REAL300017361947	0	36	-1.0	-55.90	315.53	4.13	-51.77
O=C([O-])C[C@H](NC(=O)N1CC=C(Br)CC1)C1CC1	REAL300017361948	0	34	-1.0	-46.32	290.99	7.08	-39.24
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C1CC1	REAL300017361949	0	35	-1.0	-62.23	300.60	5.58	-56.65
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361950	0	40	-1.0	-61.50	333.30	0.08	-61.42
O=C([O-])C[C@H](NS(=O)(=O)N1CC2CCC(C1)O2)C1CC1	REAL300017361951	0	39	-1.0	-53.35	308.33	2.57	-50.78
N#CC1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300017361952	0	38	-1.0	-55.94	306.45	3.66	-52.28
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C1CC1	REAL300017361954	0	39	-1.0	-60.85	332.72	6.66	-54.19
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(Cl)=C1Cl	REAL300017361955	0	35	-1.0	-41.09	318.66	5.96	-35.13
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C1CC1	REAL300017361956	0	36	-1.0	-53.12	312.40	4.44	-48.68
O=C([O-])C[C@H](NS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1CC1	REAL300017361957	0	39	-1.0	-55.70	329.44	5.52	-50.18
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C(F)F)=C1	REAL300017361958	0	39	-1.0	-51.04	328.71	4.91	-46.13
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361959	0	38	-1.0	-39.95	336.16	2.70	-37.25
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300017361960	0	40	-1.0	-62.81	320.77	5.69	-57.12
O=C([O-])C[C@H](NC(=O)N1CC(OCC2=CC=CC=C2)C1)C1CC1	REAL300017361961	0	44	-1.0	-49.73	363.44	7.78	-41.95
CC(C)(C)OC(=O)NC1CN(C(=O)N[C@@H](CC(=O)[O-])C2CC2)C1	REAL300017361962	0	47	-1.0	-52.37	374.27	4.58	-47.79
CC(=O)OCC1CCN(C(=O)N[C@@H](CC(=O)[O-])C2CC2)CC1	REAL300017361963	0	45	-1.0	-51.56	354.55	8.17	-43.39
O=C([O-])C[C@H](NS(=O)(=O)N1CC=C(Br)CC1)C1CC1	REAL300017361964	0	35	-1.0	-38.06	301.07	3.65	-34.41
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361966	0	45	-1.0	-59.08	366.86	6.36	-52.72
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C(Cl)S1	REAL300017361967	0	32	-1.0	-52.16	302.92	4.74	-47.42
O=C([O-])C[C@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12)C1CC1	REAL300017361968	0	39	-1.0	-56.04	337.76	4.62	-51.42
O=C([O-])C[C@H](NS(=O)(=O)C1=C2CCCCN2N=C1)C1CC1	REAL300017361969	0	39	-1.0	-55.99	321.39	3.58	-52.41
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300017361974	0	29	-1.0	-45.54	285.70	4.12	-41.42
O=C([O-])[C@H]1C[C@H]1CNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21	REAL300017361992	0	43	-1.0	-54.48	361.87	9.89	-44.59
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017361993	0	34	-1.0	-54.60	316.72	-1.51	-56.11
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017361994	0	37	-1.0	-45.74	325.20	5.32	-40.42
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1C	REAL300017361995	0	37	-1.0	-54.84	322.44	5.63	-49.21
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300017361996	0	35	-1.0	-50.20	307.02	2.69	-47.51
CN1C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(=O)N(C)C1=O	REAL300017361997	0	35	-1.0	-49.22	308.17	2.52	-46.70
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300017361998	0	32	-1.0	-46.99	294.28	1.03	-45.96
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300017361999	0	31	-1.0	-51.51	279.01	4.99	-46.52
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362000	0	36	-1.0	-50.81	333.12	4.83	-45.98
CC1=CC=C(CS(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362311	0	35	-1.0	-47.82	313.03	4.96	-42.86
CC1=C(Br)C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017362312	0	34	-1.0	-51.94	326.33	5.31	-46.63
COC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC(F)=C1F	REAL300017362313	0	35	-1.0	-48.81	328.18	4.27	-44.54
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017362314	0	41	-1.0	-51.85	345.96	4.94	-46.91
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017362315	0	47	-1.0	-46.71	349.63	5.21	-41.50
CC1=NC2=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=CC=C2C=C1	REAL300017362316	0	37	-1.0	-57.53	323.44	4.70	-52.83
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017362317	0	37	-1.0	-61.68	326.40	5.39	-56.29
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017362318	0	40	-1.0	-52.36	338.72	2.05	-50.31
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362319	0	43	-1.0	-52.28	383.73	4.59	-47.69
N#CC1=CC(F)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Br	REAL300017362320	0	30	-1.0	-45.71	301.12	4.19	-41.52
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300017362321	0	32	-1.0	-47.04	297.06	4.60	-42.44
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017362322	0	35	-1.0	-51.17	310.65	4.52	-46.65
CC1=CSC(C2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C2)=N1	REAL300017362323	0	38	-1.0	-52.31	348.77	5.00	-47.31
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1F	REAL300017362324	0	35	-1.0	-58.36	330.33	4.41	-53.95
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362325	0	38	-1.0	-50.75	333.30	4.51	-46.24
CC1=C(Br)C=CC=C1CS(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362326	0	35	-1.0	-47.46	319.23	5.30	-42.16
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017362327	0	32	-1.0	-48.79	306.17	4.75	-44.04
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017362328	0	29	-1.0	-45.54	300.58	4.67	-40.87
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362329	0	36	-1.0	-52.88	318.50	0.98	-51.90
CCCCCCCCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362330	0	54	-1.0	-48.01	442.88	8.46	-39.55
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362331	0	44	-1.0	-52.78	372.41	5.88	-46.90
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362332	0	39	-1.0	-50.44	354.62	5.63	-44.81
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017362333	0	35	-1.0	-48.42	314.20	5.11	-43.31
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CCC1=CC=CC=C1F	REAL300017362334	0	35	-1.0	-53.12	312.41	5.04	-48.08
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017362335	0	35	-1.0	-51.56	319.51	5.37	-46.19
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362336	0	33	-1.0	-40.63	303.54	3.95	-36.68
COC1=CC2=C(C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])C(=O)NCCC2	REAL300017362337	0	44	-1.0	-49.07	352.43	2.36	-46.71
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])S2)C1	REAL300017362338	0	40	-1.0	-54.88	352.36	3.98	-50.90
CC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017362339	0	36	-1.0	-50.37	334.29	5.78	-44.59
NC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(F)C=C1Br	REAL300017362340	0	33	-1.0	-51.09	311.41	0.70	-50.39
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017362341	0	32	-1.0	-48.24	309.40	4.88	-43.36
CCC(C)OC1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362342	0	42	-1.0	-48.16	351.61	5.17	-42.99
CC(CC(F)(F)F)CS(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362343	0	34	-1.0	-47.08	297.79	3.76	-43.32
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017362344	0	36	-1.0	-54.39	329.46	5.33	-49.06
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=C2)=N1	REAL300017362345	0	41	-1.0	-55.83	354.34	3.51	-52.32
COC1=CC(F)=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362346	0	33	-1.0	-43.94	282.93	3.34	-40.60
COC(=O)C1=C(C)C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])O1	REAL300017362347	0	35	-1.0	-53.63	320.00	2.90	-50.73
CCC1=NC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CN1CC1CC1	REAL300017362348	0	42	-1.0	-51.38	356.77	5.30	-46.08
CC(=O)N1CC2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C2C1	REAL300017362349	0	40	-1.0	-60.12	345.98	4.02	-56.10
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017362350	0	32	-1.0	-48.03	301.33	3.01	-45.02
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017362351	0	32	-1.0	-61.31	311.05	3.31	-58.00
CCCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300017362352	0	48	-1.0	-49.86	394.02	6.58	-43.28
CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017362353	0	37	-1.0	-48.06	325.71	6.01	-42.05
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017362354	0	42	-1.0	-47.84	359.86	5.59	-42.25
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017362355	0	43	-1.0	-47.79	380.05	6.89	-40.90
COC(CS(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300017362356	0	39	-1.0	-50.46	345.38	4.23	-46.23
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017362357	0	41	-1.0	-50.33	345.81	4.93	-45.40
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Cl	REAL300017362358	0	37	-1.0	-48.82	343.56	2.38	-46.44
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=CC=C12	REAL300017362359	0	41	-1.0	-53.83	353.62	6.40	-47.43
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C	REAL300017362360	0	40	-1.0	-55.44	347.25	2.62	-52.82
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1(C(F)F)CCCC1	REAL300017362361	0	38	-1.0	-49.42	307.98	4.85	-44.57
CCOC1(CS(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CCOCC1	REAL300017362362	0	43	-1.0	-48.03	340.14	2.29	-45.74
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1F	REAL300017362363	0	35	-1.0	-58.17	319.99	3.97	-54.20
CC(=O)N1CCC2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=C(Cl)C=C21	REAL300017362364	0	40	-1.0	-63.53	339.68	4.55	-58.98
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362365	0	32	-1.0	-47.40	297.82	1.90	-45.50
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017362366	0	40	-1.0	-54.12	363.15	7.63	-46.49
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362367	0	32	-1.0	-48.93	304.24	5.09	-43.84
CC1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1Br	REAL300017362368	0	32	-1.0	-48.76	296.25	4.82	-43.94
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362369	0	35	-1.0	-51.40	320.23	4.63	-46.77
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017362370	0	37	-1.0	-51.66	320.51	1.27	-50.39
COC1=CC(Br)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362371	0	33	-1.0	-48.45	313.36	3.46	-44.99
COC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017362372	0	35	-1.0	-48.84	318.08	4.29	-44.55
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362373	0	35	-1.0	-50.88	315.09	5.40	-45.48
COCCN1C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=N1	REAL300017362374	0	36	-1.0	-52.76	321.33	1.12	-51.64
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362375	0	42	-1.0	-46.37	352.62	5.00	-41.37
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017362376	0	36	-1.0	-50.69	326.90	4.08	-46.61
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1C	REAL300017362377	0	56	-1.0	-52.29	449.10	8.07	-44.22
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362378	0	43	-1.0	-48.69	383.04	1.96	-46.73
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017362379	0	37	-1.0	-50.91	336.02	5.71	-45.20
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017362380	0	29	-1.0	-44.06	289.58	4.20	-39.86
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017362381	0	32	-1.0	-51.41	298.02	4.35	-47.06
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017362382	0	36	-1.0	-58.71	326.18	1.36	-57.35
CCN1C(=O)OC2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CC=C21	REAL300017362383	0	38	-1.0	-57.65	338.46	4.49	-53.16
CC1=C(Br)C=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362384	0	32	-1.0	-47.58	296.00	4.83	-42.75
COC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1Br	REAL300017362385	0	33	-1.0	-47.15	312.48	3.50	-43.65
CS(=O)(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(Cl)S1	REAL300017362386	0	32	-1.0	-51.12	316.76	0.11	-51.01
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017362387	0	32	-1.0	-55.59	305.54	2.57	-53.02
CC1(C)CC2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CC=C2O1	REAL300017362388	0	40	-1.0	-49.13	339.97	4.77	-44.36
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362389	0	37	-1.0	-49.72	341.52	0.31	-49.41
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362390	0	43	-1.0	-55.20	397.84	1.16	-54.04
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(OC)=C1	REAL300017362391	0	44	-1.0	-47.78	371.48	0.88	-46.90
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362392	0	48	-1.0	-55.57	417.37	4.51	-51.06
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362393	0	43	-1.0	-49.15	384.48	2.00	-47.15
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300017362394	0	44	-1.0	-56.62	371.86	4.75	-51.87
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362395	0	40	-1.0	-49.00	362.98	1.21	-47.79
CCC(=O)NCC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1OC	REAL300017362396	0	46	-1.0	-50.51	393.48	2.71	-47.80
COC1=CC=C(Br)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362397	0	33	-1.0	-50.37	308.50	3.57	-46.80
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017362398	0	44	-1.0	-47.41	375.34	3.94	-43.47
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362399	0	38	-1.0	-64.01	344.70	1.95	-62.06
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017362400	0	31	-1.0	-47.70	310.81	3.44	-44.26
CC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1Br	REAL300017362401	0	34	-1.0	-48.66	321.62	4.65	-44.01
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362402	0	34	-1.0	-50.89	303.10	3.99	-46.90
N#CC1=CC(Br)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362403	0	30	-1.0	-48.04	304.68	4.55	-43.49
CCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Br	REAL300017362404	0	36	-1.0	-46.24	334.32	4.43	-41.81
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017362405	0	43	-1.0	-51.67	379.79	2.97	-48.70
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017362406	0	32	-1.0	-53.12	296.92	4.31	-48.81
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362407	0	42	-1.0	-48.05	363.07	5.27	-42.78
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017362408	0	29	-1.0	-44.71	294.75	4.99	-39.72
COC1=C(C)C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C	REAL300017362409	0	39	-1.0	-49.90	336.13	4.43	-45.47
CC(C)CCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362410	0	45	-1.0	-48.04	374.45	5.86	-42.18
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017362411	0	43	-1.0	-49.99	356.62	5.73	-44.26
CC(C)COC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362412	0	42	-1.0	-48.18	355.49	5.25	-42.93
CCCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362413	0	39	-1.0	-48.17	335.38	4.56	-43.61
COC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Cl	REAL300017362414	0	33	-1.0	-52.11	308.09	3.39	-48.72
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017362415	0	33	-1.0	-50.69	317.84	3.66	-47.03
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300017362416	0	42	-1.0	-48.97	351.89	5.13	-43.84
COCCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362417	0	40	-1.0	-49.64	347.51	3.03	-46.61
COCCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C	REAL300017362418	0	43	-1.0	-49.90	367.59	3.77	-46.13
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362419	0	40	-1.0	-64.33	352.34	3.17	-61.16
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017362420	0	44	-1.0	-47.26	368.65	3.04	-44.22
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362421	0	39	-1.0	-45.32	330.98	3.27	-42.05
CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(Br)=C1	REAL300017362422	0	32	-1.0	-48.15	300.41	4.94	-43.21
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362423	0	35	-1.0	-53.71	321.10	1.01	-52.70
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362424	0	35	-1.0	-55.66	323.77	5.64	-50.02
N#CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Cl	REAL300017362425	0	30	-1.0	-44.46	298.77	4.35	-40.11
CC1=CC(Br)=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362426	0	32	-1.0	-48.02	297.54	5.02	-43.00
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1C	REAL300017362427	0	37	-1.0	-50.32	314.86	6.45	-43.87
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362428	0	35	-1.0	-47.17	315.02	4.14	-43.03
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362429	0	38	-1.0	-63.25	338.81	1.85	-61.40
N#CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(C(F)(F)F)=C1	REAL300017362430	0	33	-1.0	-45.41	307.35	5.48	-39.93
N#CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300017362431	0	30	-1.0	-51.15	298.79	4.34	-46.81
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362432	0	45	-1.0	-47.63	372.04	5.19	-42.44
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017362433	0	41	-1.0	-53.25	371.52	1.38	-51.87
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362434	0	37	-1.0	-53.90	339.15	-0.30	-54.20
CC(=O)NCCC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362435	0	39	-1.0	-56.36	358.34	2.47	-53.89
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])O1	REAL300017362436	0	32	-1.0	-53.22	302.09	2.32	-50.90
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017362437	1	31	-1.0	-58.50	283.53	4.87	-53.63
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017362438	0	32	-1.0	-46.80	318.81	5.23	-41.57
CCOC(=O)C1=C(C)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(C)N1	REAL300017362439	0	42	-1.0	-56.15	358.45	4.21	-51.94
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017362440	0	29	-1.0	-52.27	282.17	4.47	-47.80
CC1=NC(C2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])S2)=CS1	REAL300017362441	0	35	-1.0	-50.87	341.04	4.06	-46.81
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017362442	0	49	-1.0	-48.11	397.11	7.15	-40.96
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300017362443	0	39	-1.0	-59.87	358.85	3.08	-56.79
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362444	0	38	-1.0	-56.82	331.08	5.06	-51.76
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017362445	0	31	-1.0	-46.66	295.77	5.51	-41.15
COC1=CC(F)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1OC	REAL300017362446	0	37	-1.0	-51.34	319.40	2.50	-48.84
COC1=CC(C)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1OC	REAL300017362447	0	40	-1.0	-53.37	335.92	3.63	-49.74
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017362448	1	31	-1.0	-45.30	312.52	6.25	-39.05
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362449	0	37	-1.0	-52.25	309.84	5.02	-47.23
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017362450	0	32	-1.0	-58.84	302.06	4.44	-54.40
CN1C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(N)=O	REAL300017362451	0	34	-1.0	-51.24	304.50	-0.30	-51.54
CC1=CC(Cl)=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362452	0	32	-1.0	-48.10	292.97	4.92	-43.18
CCOC(=O)C1CCCN1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362453	0	40	-1.0	-51.73	337.96	3.94	-47.79
CNC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CN1C	REAL300017362454	0	37	-1.0	-51.44	326.43	1.18	-50.26
COC1=CC(C)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(C)=C1	REAL300017362455	0	39	-1.0	-48.99	316.44	4.23	-44.76
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300017362456	0	37	-1.0	-48.14	318.23	2.62	-45.52
COC(=O)C1=CC=C(CS(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362457	0	38	-1.0	-51.27	340.15	4.88	-46.39
COC(=O)C1CCN(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CC1	REAL300017362458	0	40	-1.0	-48.10	335.32	3.35	-44.75
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017362459	0	40	-1.0	-51.78	338.04	3.66	-48.12
COC(=O)C1=CC=CC(CS(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362460	0	38	-1.0	-51.08	341.11	4.90	-46.18
CCOC(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])O1	REAL300017362461	0	35	-1.0	-53.51	323.96	3.25	-50.26
COC(=O)CCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362462	0	42	-1.0	-53.43	369.35	4.61	-48.82
COC1=CC(C)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C	REAL300017362463	0	39	-1.0	-51.29	326.82	4.47	-46.82
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017362464	0	33	-1.0	-49.88	299.94	3.87	-46.01
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017362465	0	32	-1.0	-48.87	299.26	5.65	-43.22
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017362466	0	31	-1.0	-46.49	300.33	5.62	-40.87
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362467	0	34	-1.0	-49.50	296.21	5.87	-43.63
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017362468	0	31	-1.0	-44.71	307.23	4.94	-39.77
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(Br)C=CS1	REAL300017362469	0	26	-1.0	-46.80	271.04	3.29	-43.51
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017362470	0	33	-1.0	-49.71	300.36	3.89	-45.82
CC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300017362471	0	37	-1.0	-50.94	308.52	4.72	-46.22
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017362472	0	31	-1.0	-49.83	298.00	2.88	-46.95
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300017362473	0	37	-1.0	-54.72	320.48	2.48	-52.24
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017362474	0	28	-1.0	-46.03	275.00	2.18	-43.85
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017362475	0	31	-1.0	-50.75	288.90	3.96	-46.79
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017362476	0	31	-1.0	-48.91	306.96	4.66	-44.25
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362477	0	38	-1.0	-56.17	343.06	2.03	-54.14
CCN1C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017362478	0	34	-1.0	-50.99	311.59	4.39	-46.60
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017362479	0	31	-1.0	-50.76	297.14	4.94	-45.82
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017362480	0	31	-1.0	-50.42	296.22	4.24	-46.18
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017362481	0	36	-1.0	-47.81	333.46	4.22	-43.59
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017362482	0	31	-1.0	-48.13	301.40	5.64	-42.49
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017362483	0	43	-1.0	-49.54	373.79	6.81	-42.73
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(F)=C1	REAL300017362484	0	37	-1.0	-63.47	334.22	-0.00	-63.47
CCC(=O)C1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362485	0	37	-1.0	-62.74	325.63	4.80	-57.94
CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CC1	REAL300017362486	0	42	-1.0	-48.21	350.49	2.37	-45.84
COC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017362487	0	38	-1.0	-50.63	340.63	4.74	-45.89
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017362488	0	39	-1.0	-54.73	348.51	5.10	-49.63
CC(C)CCN(CCC(C)C)S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362489	0	51	-1.0	-46.64	404.18	6.63	-40.01
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362490	0	35	-1.0	-53.02	333.75	4.93	-48.09
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362491	0	37	-1.0	-58.02	336.11	0.24	-57.78
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300017362492	0	44	-1.0	-62.63	385.02	2.64	-59.99
CS(=O)(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1F	REAL300017362493	0	35	-1.0	-55.43	327.64	1.08	-54.35
COC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1Br	REAL300017362494	0	35	-1.0	-50.54	333.61	4.66	-45.88
CCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300017362495	0	42	-1.0	-52.38	353.73	6.15	-46.23
CCOC1=CC=C(C)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362496	0	39	-1.0	-56.58	334.71	4.84	-51.74
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017362497	0	34	-1.0	-65.89	310.88	3.70	-62.19
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017362498	0	36	-1.0	-54.49	323.11	4.65	-49.84
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017362499	0	31	-1.0	-55.18	306.95	4.66	-50.52
CCOCCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362500	0	43	-1.0	-49.64	369.36	3.99	-45.65
CCCCCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362501	0	45	-1.0	-47.96	378.38	6.12	-41.84
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017362502	0	31	-1.0	-57.75	291.84	5.42	-52.33
COC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1F	REAL300017362503	0	35	-1.0	-51.95	321.89	4.21	-47.74
COC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300017362504	0	35	-1.0	-43.93	325.56	4.47	-39.46
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362505	0	39	-1.0	-45.46	328.70	4.07	-41.39
COC(=O)CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362506	0	35	-1.0	-53.60	330.94	4.11	-49.49
COC(=O)C1=CSC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362507	0	32	-1.0	-47.24	310.61	3.19	-44.05
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362508	0	41	-1.0	-57.20	348.92	5.61	-51.59
COC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300017362509	0	35	-1.0	-50.80	329.87	4.57	-46.23
COC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1C	REAL300017362510	0	38	-1.0	-47.53	332.41	4.69	-42.84
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362511	0	35	-1.0	-50.67	315.30	3.93	-46.74
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017362512	0	39	-1.0	-57.33	320.31	6.35	-50.98
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017362513	0	35	-1.0	-54.34	309.97	5.31	-49.03
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN=CC(Br)=C1	REAL300017362514	0	28	-1.0	-46.98	278.87	2.34	-44.64
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017362515	0	33	-1.0	-48.66	318.93	5.00	-43.66
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017362516	0	34	-1.0	-47.09	313.23	-1.00	-48.09
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C2S1	REAL300017362517	0	43	-1.0	-50.87	374.57	5.45	-45.42
COC(=O)CC1(CS(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CC1	REAL300017362518	0	38	-1.0	-49.68	327.52	3.99	-45.69
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362519	0	34	-1.0	-48.59	318.86	3.64	-44.95
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(F)C=C1F	REAL300017362520	0	32	-1.0	-49.74	284.99	3.93	-45.81
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362521	0	36	-1.0	-43.51	316.15	4.46	-39.05
CC(C)N1N=CC2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CC=C21	REAL300017362522	0	41	-1.0	-50.72	353.26	5.06	-45.66
CCCCCCN1C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(=O)NC1=O	REAL300017362523	0	47	-1.0	-63.87	393.44	4.12	-59.75
CC1=CN(C2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C2F)N=C1	REAL300017362524	0	39	-1.0	-49.95	346.15	5.39	-44.56
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362525	0	36	-1.0	-49.30	338.48	3.39	-45.91
CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362526	0	36	-1.0	-52.83	325.45	-1.75	-54.58
CC1=CC(F)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362527	0	32	-1.0	-48.22	285.02	3.94	-44.28
CC1=CC(Cl)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017362528	0	34	-1.0	-42.53	302.55	4.62	-37.91
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(Br)O1	REAL300017362529	0	26	-1.0	-51.21	266.93	2.26	-48.95
CC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300017362530	0	35	-1.0	-50.77	318.20	4.64	-46.13
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017362531	0	26	-1.0	-42.41	275.62	3.26	-39.15
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017362532	0	32	-1.0	-49.17	307.90	5.03	-44.14
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017362533	0	32	-1.0	-49.21	318.20	5.47	-43.74
CC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017362534	0	35	-1.0	-52.04	330.23	6.44	-45.60
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300017362535	0	32	-1.0	-46.82	297.29	4.69	-42.13
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017362536	0	35	-1.0	-50.55	309.20	6.35	-44.20
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017362537	0	35	-1.0	-51.15	320.23	6.40	-44.75
COC1=CC(Br)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Cl	REAL300017362538	0	33	-1.0	-48.22	324.51	4.13	-44.09
CN1C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017362539	0	40	-1.0	-49.19	367.24	2.49	-46.70
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CN1C	REAL300017362540	0	39	-1.0	-48.68	345.58	4.56	-44.12
CCOC(=O)C1CC2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CC=C2O1	REAL300017362541	0	43	-1.0	-49.86	376.02	5.77	-44.09
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362542	0	35	-1.0	-57.10	326.69	1.05	-56.05
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362543	0	38	-1.0	-57.29	350.89	3.12	-54.17
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362544	0	42	-1.0	-53.08	369.08	5.06	-48.02
CC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300017362545	0	35	-1.0	-51.31	315.70	5.55	-45.76
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017362546	0	40	-1.0	-52.45	362.55	0.60	-51.85
N#CC1=CC(F)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(F)=C1	REAL300017362547	1	30	-1.0	-48.17	290.87	4.17	-44.00
CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1N(C)C	REAL300017362548	0	40	-1.0	-48.08	336.20	4.16	-43.92
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362549	0	34	-1.0	-53.06	317.92	5.48	-47.58
CSC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Cl	REAL300017362550	0	33	-1.0	-51.86	317.77	5.01	-46.85
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362551	0	32	-1.0	-69.98	287.26	3.73	-66.25
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017362552	0	41	-1.0	-52.15	362.67	6.00	-46.15
CN(C)C1=CC=C(Br)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362553	0	37	-1.0	-49.93	329.52	4.66	-45.27
CC1=NN2C=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=NC2=C1Cl	REAL300017362554	0	34	-1.0	-50.12	320.94	3.35	-46.77
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362555	0	35	-1.0	-53.31	323.49	5.59	-47.72
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362556	0	41	-1.0	-46.78	335.42	3.99	-42.79
CCC1=NOC2=NC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C12	REAL300017362557	0	36	-1.0	-53.74	322.82	1.22	-52.52
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017362558	0	34	-1.0	-43.78	314.62	4.83	-38.95
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017362559	0	35	-1.0	-48.23	329.76	6.40	-41.83
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362560	0	35	-1.0	-53.12	313.17	5.15	-47.97
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017362561	0	32	-1.0	-67.91	298.84	3.36	-64.55
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017362562	0	32	-1.0	-48.80	319.74	5.31	-43.49
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362563	1	44	-1.0	-49.34	382.36	0.78	-48.56
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362564	0	37	-1.0	-49.13	321.27	1.64	-47.49
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017362565	0	28	-1.0	-42.70	272.70	2.14	-40.56
COC(=O)C1CCCCC1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362566	0	41	-1.0	-50.12	332.69	5.22	-44.90
COC(=O)C1(C2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300017362567	0	42	-1.0	-49.31	360.88	6.17	-43.14
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362568	0	33	-1.0	-57.02	321.41	4.99	-52.03
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017362569	0	35	-1.0	-46.69	331.14	1.62	-45.07
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362570	0	33	-1.0	-40.74	303.52	3.95	-36.79
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017362571	0	38	-1.0	-57.02	328.26	7.26	-49.76
CCC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C(C(=O)OC)O1	REAL300017362572	0	38	-1.0	-54.92	342.93	3.95	-50.97
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017362573	0	46	-1.0	-60.39	379.12	5.42	-54.97
COC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(C)=C1F	REAL300017362574	0	36	-1.0	-49.18	312.57	3.65	-45.53
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017362575	0	49	-1.0	-53.12	384.52	5.25	-47.87
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017362576	0	43	-1.0	-46.01	353.73	3.72	-42.29
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017362577	0	40	-1.0	-44.57	359.52	4.25	-40.32
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362578	0	37	-1.0	-50.99	334.97	5.75	-45.24
N#CC1(CS(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CCCCC1	REAL300017362579	0	39	-1.0	-55.29	317.56	4.43	-50.86
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017362580	0	38	-1.0	-51.37	322.70	4.96	-46.41
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300017362581	0	44	-1.0	-59.22	385.68	5.03	-54.19
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017362582	0	32	-1.0	-55.67	299.51	2.40	-53.27
COC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1F	REAL300017362583	0	33	-1.0	-47.39	298.29	2.92	-44.47
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362584	0	40	-1.0	-61.41	353.07	3.63	-57.78
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362585	0	43	-1.0	-60.37	379.75	4.88	-55.49
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017362586	0	43	-1.0	-57.29	378.28	6.96	-50.33
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017362587	0	29	-1.0	-46.14	296.82	4.37	-41.77
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CC=C2O1	REAL300017362588	0	44	-1.0	-48.96	386.24	6.20	-42.76
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362589	0	41	-1.0	-56.77	352.95	5.98	-50.79
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017362590	0	29	-1.0	-49.38	282.42	4.04	-45.34
CC1=C(Cl)SC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362591	0	29	-1.0	-48.00	291.54	3.75	-44.25
COC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(F)=C1	REAL300017362592	0	33	-1.0	-54.30	290.15	2.59	-51.71
CC1=CC=C(C)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300017362593	0	37	-1.0	-62.02	315.18	6.66	-55.36
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017362594	0	35	-1.0	-49.51	323.54	5.32	-44.19
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017362595	0	39	-1.0	-47.17	348.35	6.50	-40.67
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362596	0	37	-1.0	-55.27	329.74	1.75	-53.52
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017362597	0	35	-1.0	-49.46	308.22	4.05	-45.41
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017362599	0	32	-1.0	-57.13	295.76	4.44	-52.69
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017362600	0	32	-1.0	-46.72	318.36	5.07	-41.65
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017362601	0	32	-1.0	-49.95	299.44	4.29	-45.66
CC1=CC(Br)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362602	0	32	-1.0	-46.03	305.27	4.80	-41.23
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362603	0	40	-1.0	-56.76	327.71	1.30	-55.46
CSC1=CC=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362604	0	33	-1.0	-45.60	280.42	3.62	-41.98
CC(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Br	REAL300017362605	0	36	-1.0	-50.87	336.84	3.19	-47.68
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362606	0	40	-1.0	-51.02	342.19	3.53	-47.49
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017362607	0	41	-1.0	-63.52	354.61	2.88	-60.64
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300017362608	0	35	-1.0	-49.25	343.01	1.66	-47.59
COC1=C(F)C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017362609	0	35	-1.0	-46.02	325.11	4.33	-41.69
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017362610	0	39	-1.0	-48.70	353.28	2.89	-45.81
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017362611	0	40	-1.0	-51.53	361.52	5.36	-46.17
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(OC)=C1	REAL300017362612	0	39	-1.0	-47.94	331.15	3.94	-44.00
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362613	0	32	-1.0	-48.54	304.24	5.10	-43.44
CC1=CC(C)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017362614	0	37	-1.0	-56.00	321.32	5.62	-50.38
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017362615	0	37	-1.0	-58.85	326.19	4.79	-54.06
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362616	0	45	-1.0	-60.95	398.99	2.20	-58.75
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017362617	0	35	-1.0	-52.20	306.46	-0.02	-52.22
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CC=C21	REAL300017362618	0	39	-1.0	-50.22	342.79	4.45	-45.77
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017362619	0	34	-1.0	-48.90	310.82	3.72	-45.18
COC1=CC(F)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(F)=C1	REAL300017362620	0	33	-1.0	-49.87	300.53	3.11	-46.76
CCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(C)=C1	REAL300017362621	0	39	-1.0	-49.79	328.65	4.66	-45.13
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362622	0	37	-1.0	-52.13	339.16	-0.30	-52.43
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362623	0	38	-1.0	-53.07	333.34	5.21	-47.86
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017362624	0	33	-1.0	-44.39	284.55	3.51	-40.88
CSC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362625	0	33	-1.0	-48.06	302.74	4.56	-43.50
CCCOC(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362626	0	41	-1.0	-47.75	360.67	5.91	-41.84
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300017362627	0	35	-1.0	-50.55	322.52	3.41	-47.14
CCC(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362628	0	39	-1.0	-51.80	339.19	3.24	-48.56
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017362629	0	35	-1.0	-47.38	325.35	5.27	-42.11
CCN(CC1=CC=CC=C1)S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362630	0	40	-1.0	-46.82	331.09	5.33	-41.49
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017362631	0	28	-1.0	-50.15	272.47	2.05	-48.10
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017362632	0	35	-1.0	-53.64	306.69	3.20	-50.44
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017362633	0	34	-1.0	-51.98	298.67	3.99	-47.99
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017362634	0	41	-1.0	-52.58	356.20	5.51	-47.07
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017362635	0	29	-1.0	-48.39	281.90	3.92	-44.47
CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300017362636	0	35	-1.0	-52.03	316.02	5.03	-47.00
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017362637	0	35	-1.0	-55.20	335.38	4.27	-50.93
CC1=NN(C)C2=NC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C12	REAL300017362638	0	37	-1.0	-53.22	327.90	3.23	-49.99
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017362639	0	32	-1.0	-51.15	312.91	4.90	-46.25
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1CCCN1C(=O)OCC1=CC=CC=C1	REAL300017362640	0	50	-1.0	-59.78	419.06	6.48	-53.30
CC1=NOC2=NC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C12	REAL300017362641	0	33	-1.0	-46.99	301.33	0.48	-46.51
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017362642	0	38	-1.0	-50.07	344.08	6.38	-43.69
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017362643	0	31	-1.0	-50.23	307.25	4.95	-45.28
COC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(C(=O)OC)S1	REAL300017362644	0	38	-1.0	-58.64	357.91	4.79	-53.85
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362645	0	35	-1.0	-56.07	313.46	5.20	-50.87
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017362646	0	32	-1.0	-48.55	299.70	4.69	-43.86
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017362647	0	41	-1.0	-60.26	360.02	2.13	-58.13
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CN=C2S1	REAL300017362648	0	43	-1.0	-50.68	386.96	5.15	-45.53
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017362649	0	36	-1.0	-48.15	332.29	4.04	-44.11
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017362650	0	29	-1.0	-44.65	281.56	4.10	-40.55
COC1=CC(OC)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Br	REAL300017362651	0	37	-1.0	-42.90	323.91	3.40	-39.50
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CN=C21	REAL300017362652	0	37	-1.0	-52.89	332.22	0.95	-51.94
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300017362653	0	42	-1.0	-51.66	382.67	5.68	-45.98
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1F	REAL300017362689	0	38	-1.0	-52.30	343.76	5.14	-47.16
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017362690	0	37	-1.0	-50.87	323.50	4.15	-46.72
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017362691	0	29	-1.0	-44.68	266.70	3.55	-41.13
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362692	0	48	-1.0	-62.52	392.05	7.06	-55.46
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017362693	0	32	-1.0	-50.42	313.25	5.14	-45.28
N#CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300017362694	0	30	-1.0	-47.17	281.12	3.88	-43.29
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Cl	REAL300017362695	0	36	-1.0	-58.76	331.74	2.82	-55.94
CC1CC2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CC=C2O1	REAL300017362696	0	37	-1.0	-49.59	319.60	4.14	-45.45
COC1=CC(Cl)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Cl	REAL300017362697	0	33	-1.0	-44.49	305.89	3.36	-41.13
CCC1=CC=CC(CC)=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362698	0	41	-1.0	-47.48	318.10	6.69	-40.79
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362699	0	41	-1.0	-53.42	350.24	2.50	-50.92
COC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CS1	REAL300017362700	0	32	-1.0	-47.10	309.83	3.20	-43.90
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362701	0	38	-1.0	-57.08	346.36	6.16	-50.92
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017362702	0	40	-1.0	-51.49	367.95	6.89	-44.60
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017362703	0	35	-1.0	-54.54	323.09	4.30	-50.24
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017362704	0	35	-1.0	-55.06	345.70	4.72	-50.34
COC(=O)C1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1C	REAL300017362705	0	38	-1.0	-49.50	325.65	4.91	-44.59
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017362706	0	31	-1.0	-50.41	311.12	4.80	-45.61
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362707	0	33	-1.0	-46.77	307.93	4.31	-42.46
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362708	0	41	-1.0	-47.37	339.21	4.03	-43.34
CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CC1	REAL300017362709	0	43	-1.0	-52.62	355.71	3.39	-49.23
CC1=NC(C2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C2)=CO1	REAL300017362710	0	38	-1.0	-56.85	338.95	2.60	-54.25
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017362711	0	28	-1.0	-46.15	288.67	2.58	-43.57
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017362712	0	37	-1.0	-49.92	316.24	4.16	-45.76
COC1=CC=C(Cl)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362713	0	33	-1.0	-48.01	289.87	2.79	-45.22
COC(=O)C1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300017362714	0	38	-1.0	-52.17	341.55	6.49	-45.68
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300017362715	0	50	-1.0	-53.04	415.62	6.43	-46.61
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1CCCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017362716	0	50	-1.0	-55.15	416.72	6.49	-48.66
COC(=O)CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362717	0	38	-1.0	-53.42	339.49	4.98	-48.44
CC1=CC=C(N2C=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=N2)C=C1	REAL300017362718	0	39	-1.0	-50.10	343.55	5.29	-44.81
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017362719	0	47	-1.0	-52.68	402.95	5.66	-47.02
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017362720	0	47	-1.0	-52.13	402.85	5.65	-46.48
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017362721	0	44	-1.0	-50.53	384.20	4.76	-45.77
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362722	0	31	-1.0	-44.67	301.84	3.91	-40.76
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C21	REAL300017362723	0	40	-1.0	-70.22	341.37	4.56	-65.66
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017362724	0	29	-1.0	-46.67	292.88	4.69	-41.98
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017362725	0	29	-1.0	-44.05	298.69	4.61	-39.44
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362726	0	39	-1.0	-51.81	325.13	5.26	-46.55
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362727	0	35	-1.0	-54.85	321.87	4.22	-50.63
COC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362728	0	33	-1.0	-42.73	290.83	3.92	-38.81
N#CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Br	REAL300017362729	0	30	-1.0	-44.32	303.05	4.44	-39.88
COC1=CC(C)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Cl	REAL300017362730	0	36	-1.0	-52.07	322.76	4.28	-47.79
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362731	0	35	-1.0	-47.46	335.04	4.37	-43.09
CC(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362732	0	36	-1.0	-51.85	323.47	2.55	-49.30
COC1=CC(Cl)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1OC	REAL300017362733	0	37	-1.0	-47.50	319.07	2.69	-44.81
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017362734	0	33	-1.0	-51.80	308.04	3.18	-48.62
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017362735	0	32	-1.0	-43.88	305.92	4.56	-39.32
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C	REAL300017362736	0	40	-1.0	-50.11	352.94	0.60	-49.51
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CC=C2S1	REAL300017362737	0	41	-1.0	-52.76	377.17	6.58	-46.18
COC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(Br)=C1	REAL300017362738	0	33	-1.0	-47.67	308.48	3.57	-44.10
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=N1	REAL300017362739	0	34	-1.0	-61.38	319.31	-0.87	-62.25
CC1=CC2=C(C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])OCO2	REAL300017362740	0	35	-1.0	-51.57	303.34	3.11	-48.46
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300017362741	0	35	-1.0	-47.99	328.55	4.64	-43.35
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362742	0	35	-1.0	-48.67	312.17	4.61	-44.06
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017362743	0	29	-1.0	-46.06	277.11	4.00	-42.06
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362744	0	35	-1.0	-45.31	293.45	5.03	-40.28
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017362745	0	29	-1.0	-47.11	295.76	4.79	-42.32
COC1=CC2=C(C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])OCC(=O)N2	REAL300017362746	0	39	-1.0	-45.79	327.31	0.51	-45.28
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017362747	0	30	-1.0	-51.68	278.21	1.92	-49.76
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017362748	0	29	-1.0	-53.91	278.88	3.83	-50.08
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1OC	REAL300017362749	0	39	-1.0	-49.92	344.64	4.24	-45.68
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362750	0	33	-1.0	-50.97	313.81	0.82	-50.15
CC1(C)CC2=CC=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=C2O1	REAL300017362751	0	40	-1.0	-50.26	324.49	4.66	-45.60
N#CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300017362752	0	33	-1.0	-44.19	318.25	4.69	-39.50
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362793	0	30	-1.0	-48.12	295.32	4.18	-43.94
COC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)N(C)C	REAL300017362794	0	43	-1.0	-52.28	365.20	3.10	-49.18
CC1CC2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300017362795	0	37	-1.0	-52.46	336.18	4.65	-47.81
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017362796	0	34	-1.0	-46.92	309.47	4.83	-42.09
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017362797	0	43	-1.0	-51.70	376.50	6.12	-45.58
CC1=CC=C(Br)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362798	0	32	-1.0	-48.37	300.44	4.94	-43.43
COC(=O)C1=COC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362799	0	32	-1.0	-50.93	302.42	2.27	-48.66
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=N1	REAL300017362800	0	40	-1.0	-53.28	350.28	4.29	-48.99
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017362801	0	31	-1.0	-52.41	294.54	3.01	-49.40
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362802	0	39	-1.0	-61.52	330.20	3.79	-57.73
CC(=O)NC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1C	REAL300017362803	0	39	-1.0	-56.89	336.48	3.30	-53.59
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017362804	0	34	-1.0	-50.50	309.65	3.59	-46.91
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300017362805	0	35	-1.0	-49.37	309.16	1.10	-48.27
CN1CCCC2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C21	REAL300017362806	0	41	-1.0	-53.43	336.75	4.09	-49.34
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017362807	0	31	-1.0	-50.15	297.27	2.77	-47.38
CC1=CC=C(Cl)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362808	0	32	-1.0	-48.77	281.81	4.16	-44.61
COC1=CC=CC(OC)=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362809	0	37	-1.0	-54.16	316.53	4.05	-50.11
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CN=C1Cl	REAL300017362810	0	31	-1.0	-45.23	292.23	2.72	-42.51
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017362811	0	35	-1.0	-50.20	313.93	2.59	-47.61
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017362812	0	28	-1.0	-43.82	282.75	3.26	-40.56
CC(C)(C)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362813	0	38	-1.0	-50.27	334.59	5.15	-45.12
COC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC(OC)=C1	REAL300017362814	0	37	-1.0	-52.78	320.58	2.11	-50.67
N#CC1=CC=C(Cl)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362815	0	30	-1.0	-45.29	281.06	3.87	-41.42
CN1C=NC2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CC=C21	REAL300017362816	0	35	-1.0	-53.67	310.80	4.87	-48.80
CC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017362817	0	37	-1.0	-52.17	302.95	4.85	-47.32
CCC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1CC	REAL300017362818	0	41	-1.0	-50.28	339.59	6.10	-44.18
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362819	0	37	-1.0	-46.48	320.60	5.90	-40.58
CC1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1Cl	REAL300017362820	0	32	-1.0	-48.77	277.16	4.02	-44.75
COC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(C)O1	REAL300017362821	0	35	-1.0	-54.39	321.25	3.01	-51.38
NC1=NC=C(Cl)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362822	0	30	-1.0	-48.52	284.81	1.37	-47.15
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017362823	0	35	-1.0	-48.67	312.86	5.58	-43.09
COC(=O)C1=NSC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362824	0	31	-1.0	-52.76	295.24	2.46	-50.30
COC(=O)C1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])SC=N1	REAL300017362825	1	31	-1.0	-52.28	295.52	1.75	-50.53
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC(C)=C1F	REAL300017362826	0	35	-1.0	-47.29	309.58	4.87	-42.42
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017362827	0	37	-1.0	-67.58	321.17	1.96	-65.62
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017362828	0	40	-1.0	-48.95	326.38	1.60	-47.35
COC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CN1C	REAL300017362829	0	36	-1.0	-48.97	323.71	3.63	-45.34
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362830	0	40	-1.0	-47.21	344.99	5.36	-41.85
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017362831	0	32	-1.0	-50.47	308.34	4.79	-45.68
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017362832	0	32	-1.0	-48.95	308.89	4.81	-44.14
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017362833	0	29	-1.0	-52.35	278.59	4.33	-48.02
COC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CN=C1Cl	REAL300017362834	0	32	-1.0	-49.81	302.43	1.47	-48.34
N#CC1=CC=C(F)C(CS(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362835	0	33	-1.0	-51.78	312.46	4.66	-47.12
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=N1	REAL300017362836	0	34	-1.0	-48.13	313.29	2.37	-45.76
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017362837	0	28	-1.0	-46.78	280.72	2.93	-43.85
COC1=CC(C#N)=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362838	0	34	-1.0	-44.12	294.57	3.82	-40.30
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362839	0	35	-1.0	-47.43	334.07	4.71	-42.72
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017362840	0	32	-1.0	-44.66	292.06	0.99	-43.67
CCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=N1	REAL300017362841	0	35	-1.0	-50.05	311.56	1.15	-48.90
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362842	0	38	-1.0	-60.68	347.57	1.74	-58.94
CC(=O)NC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1F	REAL300017362843	0	36	-1.0	-57.34	324.57	2.53	-54.81
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C21	REAL300017362844	0	43	-1.0	-65.81	355.49	5.17	-60.64
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362845	0	35	-1.0	-47.80	315.31	5.42	-42.38
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362846	0	46	-1.0	-50.17	399.30	3.25	-46.92
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362847	0	39	-1.0	-51.76	337.26	0.80	-50.96
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C2CC1	REAL300017362848	0	46	-1.0	-58.88	375.31	5.48	-53.40
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300017362849	0	38	-1.0	-55.07	346.53	4.97	-50.10
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362850	0	38	-1.0	-47.85	320.62	5.42	-42.43
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300017362851	0	32	-1.0	-47.02	284.29	4.29	-42.73
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017362852	0	32	-1.0	-46.67	303.03	5.59	-41.08
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362853	0	43	-1.0	-64.23	373.13	1.70	-62.53
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362854	0	42	-1.0	-45.27	350.57	4.99	-40.28
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1C	REAL300017362855	0	41	-1.0	-47.35	354.28	5.61	-41.74
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362856	0	41	-1.0	-52.73	360.41	5.86	-46.87
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1OC	REAL300017362857	0	40	-1.0	-58.14	349.33	3.32	-54.82
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(F)C=C1C	REAL300017362858	0	41	-1.0	-48.94	350.92	5.34	-43.60
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017362859	0	35	-1.0	-47.30	324.52	5.55	-41.75
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362860	0	38	-1.0	-50.23	337.16	4.85	-45.38
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017362861	0	39	-1.0	-54.26	335.79	6.92	-47.34
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362862	0	43	-1.0	-53.26	381.68	1.33	-51.93
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC=CC=C1Br	REAL300017362863	0	32	-1.0	-48.41	302.92	4.82	-43.59
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CN1C	REAL300017362864	0	41	-1.0	-57.39	364.56	4.75	-52.64
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017362865	0	33	-1.0	-50.79	310.29	4.40	-46.39
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017362866	0	32	-1.0	-49.66	294.72	4.40	-45.26
CC1=NC(Cl)=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362867	0	31	-1.0	-47.59	290.22	2.93	-44.66
CC1=NC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(Br)N1C	REAL300017362868	0	32	-1.0	-55.77	302.92	3.11	-52.66
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017362869	0	30	-1.0	-45.25	285.93	2.39	-42.86
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362870	0	42	-1.0	-63.45	355.55	4.36	-59.09
COC(=O)C1=CC(Br)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362871	1	32	-1.0	-45.98	325.51	3.67	-42.31
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(F)=C1	REAL300017362872	0	35	-1.0	-55.11	315.38	3.95	-51.16
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362873	0	40	-1.0	-50.10	346.36	2.81	-47.29
CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300017362874	0	44	-1.0	-47.57	374.52	6.33	-41.24
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362875	0	41	-1.0	-56.28	366.20	2.76	-53.52
COCCOC1=C(Cl)C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Cl	REAL300017362876	0	40	-1.0	-48.32	383.52	4.27	-44.05
COC(=O)C1(CS(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CCCC1	REAL300017362877	0	41	-1.0	-50.82	336.70	4.68	-46.14
COCC1=CC(Cl)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362878	0	36	-1.0	-46.88	334.37	3.76	-43.12
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300017362879	0	35	-1.0	-46.58	316.02	5.02	-41.56
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017362880	0	40	-1.0	-48.48	369.67	6.97	-41.51
COC(=O)CC1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362881	0	38	-1.0	-52.77	338.55	4.94	-47.83
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300017362882	0	35	-1.0	-51.25	323.05	5.44	-45.81
COC(=O)C1(CS(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CCC1	REAL300017362883	0	38	-1.0	-52.08	321.19	3.94	-48.14
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017362884	0	29	-1.0	-48.16	295.09	3.72	-44.44
CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1I	REAL300017362885	0	32	-1.0	-46.17	306.94	5.14	-41.03
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362886	0	42	-1.0	-49.13	372.42	3.90	-45.23
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362887	0	45	-1.0	-48.84	394.28	4.84	-44.00
COC(=O)C1(CS(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])CCCCC1	REAL300017362888	0	44	-1.0	-49.66	347.77	4.99	-44.67
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362889	0	37	-1.0	-54.42	333.02	4.53	-49.89
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=N1	REAL300017362890	1	31	-1.0	-59.12	286.25	2.39	-56.73
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-])=C2	REAL300017362891	0	42	-1.0	-52.40	362.34	7.37	-45.03
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017362892	0	32	-1.0	-47.18	317.94	5.25	-41.93
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017362893	0	32	-1.0	-47.61	308.82	4.84	-42.77
COC1=CC=C(Br)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1F	REAL300017362894	0	33	-1.0	-48.57	307.72	3.63	-44.94
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362895	0	39	-1.0	-47.61	337.11	5.84	-41.77
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017362896	0	33	-1.0	-48.80	308.70	5.14	-43.66
CC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C(C(N)=O)O1	REAL300017362898	0	33	-1.0	-57.15	302.92	-0.95	-58.10
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017362902	0	38	-1.0	-54.84	324.69	4.24	-50.60
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CSC=C1C(F)F	REAL300017362903	0	29	-1.0	-46.62	276.81	3.68	-42.94
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017362904	0	35	-1.0	-47.68	314.20	5.11	-42.57
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362905	0	45	-1.0	-53.78	379.62	6.41	-47.37
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017362906	0	34	-1.0	-51.74	298.76	4.08	-47.66
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CC=C21	REAL300017362907	0	49	-1.0	-56.35	387.03	5.91	-50.44
COC(=O)C1=CN(C)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362908	0	36	-1.0	-60.29	323.99	3.72	-56.57
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C21	REAL300017362909	0	43	-1.0	-50.38	358.13	3.61	-46.77
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017362910	0	44	-1.0	-57.99	372.27	6.16	-51.83
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C21	REAL300017362911	0	43	-1.0	-70.77	363.37	5.47	-65.30
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300017362912	0	44	-1.0	-50.64	393.14	7.47	-43.17
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017362913	0	39	-1.0	-48.66	330.99	4.10	-44.56
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017362921	0	35	-1.0	-50.52	329.39	4.44	-46.08
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017362922	0	35	-1.0	-48.87	313.27	0.76	-48.11
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(Br)C=CO1	REAL300017362923	1	26	-1.0	-48.95	264.73	2.08	-46.87
COC1=C(F)C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362924	0	33	-1.0	-47.78	308.42	3.09	-44.69
COC1=CC(F)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362925	0	33	-1.0	-47.99	296.39	2.67	-45.32
CCCCCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300017362926	0	54	-1.0	-49.83	437.01	8.15	-41.68
COC1=CC(C(C)C)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C	REAL300017362927	0	45	-1.0	-55.39	366.94	5.62	-49.77
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362928	0	39	-1.0	-58.39	337.28	5.04	-53.35
CCOCCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300017362929	0	52	-1.0	-53.19	428.00	6.00	-47.19
CC1CC2=CC=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=C2O1	REAL300017362930	0	37	-1.0	-49.10	302.87	4.14	-44.96
CC(C)(C)C1=NC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362931	0	37	-1.0	-47.98	331.23	3.20	-44.78
N#CC1(C2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C2)CC1	REAL300017362932	0	37	-1.0	-48.32	330.79	5.75	-42.57
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362933	0	33	-1.0	-49.82	298.06	4.16	-45.66
CC1=C(Br)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(C)S1	REAL300017362934	0	32	-1.0	-49.33	306.88	4.86	-44.47
CC1=CC(Cl)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(Br)=C1	REAL300017362935	0	32	-1.0	-47.75	308.35	5.53	-42.22
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C21	REAL300017362936	0	46	-1.0	-67.92	370.62	5.50	-62.42
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017362937	0	35	-1.0	-51.85	314.76	4.09	-47.76
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C21	REAL300017362938	0	43	-1.0	-57.74	362.11	5.17	-52.57
CN1N=C(Br)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362939	0	29	-1.0	-46.93	278.34	1.42	-45.51
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017362940	0	31	-1.0	-46.37	296.45	2.69	-43.68
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362941	0	34	-1.0	-59.12	303.23	3.15	-55.97
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300017362942	0	33	-1.0	-52.76	308.15	3.70	-49.06
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017362943	0	32	-1.0	-53.18	301.39	4.97	-48.21
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017362944	0	33	-1.0	-49.37	308.20	3.69	-45.68
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017362945	0	32	-1.0	-61.76	306.48	3.20	-58.56
CC1=CC(C)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(C)=C1F	REAL300017362946	0	38	-1.0	-44.58	312.49	5.61	-38.97
COC1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1OC	REAL300017362947	0	37	-1.0	-51.21	319.13	3.29	-47.92
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017362948	0	38	-1.0	-65.61	330.88	0.75	-64.86
N#CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1Br	REAL300017362949	0	30	-1.0	-50.87	303.07	4.43	-46.44
COC1=CC=C(F)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1OC	REAL300017362950	0	37	-1.0	-53.44	321.05	3.83	-49.61
COC(=O)C1=C(Br)OC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362951	1	32	-1.0	-51.06	321.19	2.91	-48.15
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(I)S1	REAL300017362952	0	26	-1.0	-47.66	281.73	3.70	-43.96
CN1C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300017362953	0	42	-1.0	-51.22	351.19	4.54	-46.68
N#CC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300017362954	0	33	-1.0	-55.77	313.39	5.45	-50.32
O=C([O-])[C@H]1C[C@H]1CNC(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017362956	0	31	-1.0	-55.64	295.65	7.16	-48.48
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017362957	0	33	-1.0	-52.67	301.78	3.11	-49.56
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300017362958	0	33	-1.0	-53.56	306.05	3.66	-49.90
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017362959	0	32	-1.0	-52.91	291.98	2.75	-50.16
CN1N=NC2=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=CC=C21	REAL300017362960	0	34	-1.0	-64.64	299.90	1.99	-62.65
CC1=CC(C)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Br	REAL300017362962	0	35	-1.0	-50.67	316.73	5.62	-45.05
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017362963	0	35	-1.0	-45.98	330.78	4.68	-41.30
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017362964	0	32	-1.0	-45.01	281.87	3.32	-41.69
CN1C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300017362965	0	39	-1.0	-50.73	333.45	4.03	-46.70
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362966	0	47	-1.0	-58.38	376.78	7.66	-50.72
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017362967	0	35	-1.0	-50.80	332.80	5.38	-45.42
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017362968	0	39	-1.0	-48.18	336.51	4.17	-44.01
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017362969	0	33	-1.0	-50.30	298.15	4.42	-45.88
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017362970	0	40	-1.0	-41.21	338.99	5.96	-35.25
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362971	0	42	-1.0	-62.40	352.34	1.94	-60.46
COC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017362972	0	38	-1.0	-61.64	327.03	4.72	-56.92
COC(=O)C1=NN(C)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362973	0	35	-1.0	-54.18	312.80	1.64	-52.54
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017362974	0	33	-1.0	-47.34	318.03	4.85	-42.49
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])C=C2C=C1	REAL300017362975	0	41	-1.0	-49.95	363.25	6.44	-43.51
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300017362976	0	38	-1.0	-55.28	351.56	6.13	-49.15
CC(C)(C)N1N=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362977	0	38	-1.0	-48.47	306.08	3.00	-45.47
CC(C)(C)N1C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=N1	REAL300017362978	0	38	-1.0	-48.18	326.07	3.21	-44.97
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300017362979	0	34	-1.0	-44.97	313.25	3.29	-41.68
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017362980	0	32	-1.0	-46.60	308.04	4.62	-41.98
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017362981	0	29	-1.0	-50.13	284.66	4.09	-46.04
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017362982	0	29	-1.0	-43.66	294.29	3.63	-40.03
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017362983	0	32	-1.0	-43.77	313.49	4.92	-38.85
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017362984	0	32	-1.0	-59.55	281.40	5.08	-54.47
CCCC(=O)C1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362985	0	40	-1.0	-62.63	347.13	5.57	-57.06
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017362986	0	40	-1.0	-50.95	331.24	6.60	-44.35
CC1(C)OC(=O)C2=CC(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)[O-])=CC=C21	REAL300017362987	0	39	-1.0	-48.63	342.79	5.23	-43.40
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017362988	0	35	-1.0	-48.08	323.99	4.54	-43.54
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362989	0	34	-1.0	-40.10	303.39	4.04	-36.06
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362990	0	39	-1.0	-48.46	358.76	4.30	-44.16
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017362991	0	38	-1.0	-62.62	336.72	3.51	-59.11
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017362992	0	29	-1.0	-49.98	282.77	3.94	-46.04
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017362993	0	32	-1.0	-47.14	292.69	5.14	-42.00
COC(=O)C1=C(C)SC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362994	0	35	-1.0	-47.26	328.73	3.88	-43.38
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017362995	0	36	-1.0	-53.50	309.94	5.40	-48.10
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300017362996	0	31	-1.0	-46.43	316.93	3.75	-42.68
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017362997	0	39	-1.0	-48.42	327.36	4.13	-44.29
CCC(C)N1N=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362998	0	38	-1.0	-45.06	313.72	3.17	-41.89
CNC(=O)NC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362999	0	38	-1.0	-52.58	333.76	1.05	-51.53
CS(=O)(=O)C1=CSC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017363000	0	32	-1.0	-53.49	316.48	0.03	-53.46
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017365024	0	33	-1.0	-58.80	294.91	6.74	-52.06
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017365025	0	33	-1.0	-49.28	313.24	6.86	-42.42
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017365026	0	33	-1.0	-44.57	296.47	6.33	-38.24
CC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365027	0	33	-1.0	-50.34	300.49	6.63	-43.71
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365028	0	41	-1.0	-48.51	319.01	3.43	-45.08
CSC1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365029	0	34	-1.0	-54.38	281.73	5.88	-48.50
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365030	0	41	-1.0	-57.88	318.91	5.15	-52.73
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017365031	0	42	-1.0	-57.40	332.39	4.58	-52.82
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300017365032	0	36	-1.0	-51.97	337.94	3.49	-48.48
COC1=C(F)C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017365033	0	36	-1.0	-53.18	321.11	6.23	-46.95
COC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017365034	0	40	-1.0	-61.87	354.48	5.28	-56.59
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017365035	0	41	-1.0	-59.73	361.64	7.69	-52.04
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(OC)=C1	REAL300017365036	0	40	-1.0	-52.35	335.60	5.85	-46.50
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365037	0	33	-1.0	-49.61	288.41	6.15	-43.46
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017365038	0	38	-1.0	-61.93	306.81	6.99	-54.94
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017365039	0	38	-1.0	-64.71	323.78	6.79	-57.92
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017365040	0	36	-1.0	-55.04	294.89	1.66	-53.38
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C21	REAL300017365041	0	40	-1.0	-62.61	342.88	6.75	-55.86
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017365042	0	35	-1.0	-59.88	306.04	5.54	-54.34
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(F)=C1	REAL300017365043	0	34	-1.0	-62.23	300.86	5.38	-56.85
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=C1	REAL300017365044	0	40	-1.0	-53.46	312.41	5.80	-47.66
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365045	0	38	-1.0	-68.41	339.39	2.02	-66.39
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365046	0	39	-1.0	-56.03	306.50	6.78	-49.25
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017365047	0	34	-1.0	-55.12	290.69	5.46	-49.66
CSC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365048	0	34	-1.0	-55.01	297.97	6.38	-48.63
CCCOC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365049	0	42	-1.0	-53.95	355.92	7.74	-46.21
CCC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365050	0	40	-1.0	-64.23	340.13	5.50	-58.73
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017365051	0	36	-1.0	-48.56	320.26	7.24	-41.32
CCN(CC1=CC=CC=C1)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365052	0	41	-1.0	-61.30	337.16	7.80	-53.50
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017365053	0	29	-1.0	-43.04	272.93	4.16	-38.88
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017365054	0	36	-1.0	-55.12	294.74	4.96	-50.16
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017365055	0	35	-1.0	-52.59	283.55	5.32	-47.27
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017365056	0	42	-1.0	-63.29	356.46	7.86	-55.43
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017365057	0	30	-1.0	-47.06	264.01	5.39	-41.67
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017365058	0	30	-1.0	-49.60	279.11	5.91	-43.69
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300017365059	0	36	-1.0	-62.35	317.22	7.39	-54.96
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017365060	0	36	-1.0	-52.19	330.35	6.52	-45.67
CC1=NN(C)C2=NC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C12	REAL300017365061	0	38	-1.0	-55.78	324.12	5.01	-50.77
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017365062	0	33	-1.0	-56.87	310.47	6.91	-49.96
CC1=NOC2=NC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C12	REAL300017365063	0	34	-1.0	-55.94	297.53	2.27	-53.67
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017365064	0	39	-1.0	-56.34	339.33	8.19	-48.15
COCC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365065	0	37	-1.0	-61.97	317.79	5.59	-56.38
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017365066	0	32	-1.0	-52.35	289.88	6.22	-46.13
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C(C(=O)OC)S1	REAL300017365067	0	39	-1.0	-66.58	353.45	6.57	-60.01
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365068	0	36	-1.0	-57.74	298.04	6.43	-51.31
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017365069	0	33	-1.0	-53.66	297.29	6.70	-46.96
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017365070	0	42	-1.0	-74.51	355.26	3.95	-70.56
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017365071	0	37	-1.0	-52.87	329.40	6.06	-46.81
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017365072	0	30	-1.0	-47.94	280.39	6.07	-41.87
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CN=C21	REAL300017365073	0	38	-1.0	-55.61	327.01	2.77	-52.84
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1F	REAL300017365106	0	39	-1.0	-48.33	338.64	6.99	-41.34
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017365107	0	38	-1.0	-65.62	315.78	5.84	-59.78
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017365108	0	30	-1.0	-49.36	265.52	5.53	-43.83
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365109	0	49	-1.0	-59.52	361.31	7.95	-51.57
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017365110	0	33	-1.0	-50.65	303.46	6.93	-43.72
N#CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300017365111	0	31	-1.0	-43.32	279.89	5.91	-37.41
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Cl	REAL300017365112	0	37	-1.0	-51.96	327.76	4.83	-47.13
CC1CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C2O1	REAL300017365113	0	38	-1.0	-54.01	314.46	5.99	-48.02
COC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Cl	REAL300017365114	0	34	-1.0	-55.18	313.77	5.97	-49.21
CCC1=CC=CC(CC)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365115	0	42	-1.0	-52.14	309.17	7.63	-44.51
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365116	0	42	-1.0	-59.02	333.42	3.83	-55.19
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CS1	REAL300017365117	0	33	-1.0	-56.98	310.07	5.55	-51.43
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365118	0	39	-1.0	-67.34	341.93	7.74	-59.60
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017365119	0	41	-1.0	-54.06	364.30	8.78	-45.28
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017365120	0	36	-1.0	-59.21	329.20	6.56	-52.65
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017365121	0	36	-1.0	-52.00	340.66	6.97	-45.03
COC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1C	REAL300017365122	0	39	-1.0	-49.97	309.84	6.24	-43.73
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017365123	0	32	-1.0	-53.42	307.10	6.69	-46.73
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365124	0	34	-1.0	-47.84	296.63	5.61	-42.23
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365125	0	42	-1.0	-57.04	331.24	5.50	-51.54
CCOC(=O)N1CCC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300017365126	0	44	-1.0	-51.63	346.45	5.21	-46.42
CC1=NC(C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)=CO1	REAL300017365127	0	39	-1.0	-62.07	334.19	4.43	-57.64
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017365128	0	29	-1.0	-47.20	284.16	4.41	-42.79
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017365129	0	33	-1.0	-66.08	292.58	6.23	-59.85
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017365130	0	33	-1.0	-61.94	289.10	4.49	-57.45
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017365131	0	38	-1.0	-61.46	316.47	6.50	-54.96
COC1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365132	0	34	-1.0	-53.25	288.73	4.77	-48.48
COC(=O)C1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300017365133	0	39	-1.0	-73.37	336.76	8.59	-64.78
COC(=O)CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365134	0	39	-1.0	-60.10	334.75	6.80	-53.30
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017365135	0	37	-1.0	-54.21	300.88	7.20	-47.01
CC1=CC=C(N2C=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=N2)C=C1	REAL300017365136	0	40	-1.0	-57.55	339.79	7.11	-50.44
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017365137	0	48	-1.0	-61.82	402.37	7.94	-53.88
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017365138	0	48	-1.0	-69.86	402.66	8.04	-61.82
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017365139	0	45	-1.0	-52.44	381.85	6.88	-45.56
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300017365140	0	32	-1.0	-58.59	296.55	5.79	-52.80
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C21	REAL300017365141	0	41	-1.0	-71.87	342.33	6.88	-64.99
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017365142	0	30	-1.0	-45.24	276.81	6.05	-39.19
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017365143	0	30	-1.0	-57.03	298.90	6.93	-50.10
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365144	0	40	-1.0	-64.98	323.20	7.26	-57.72
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1C#N	REAL300017365145	0	34	-1.0	-56.24	302.76	6.76	-49.48
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300017365146	0	36	-1.0	-62.41	322.09	6.54	-55.87
COC1=CC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365147	0	34	-1.0	-55.43	296.65	5.67	-49.76
COC1=CC=C(C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365148	0	37	-1.0	-59.59	290.77	5.00	-54.59
N#CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Br	REAL300017365149	0	31	-1.0	-57.34	303.27	6.76	-50.58
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Cl	REAL300017365150	0	37	-1.0	-54.83	306.80	5.30	-49.53
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300017365151	0	36	-1.0	-48.91	325.25	5.71	-43.20
CC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300017365152	0	37	-1.0	-62.02	323.64	4.85	-57.17
COC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1OC	REAL300017365153	0	38	-1.0	-57.88	326.98	5.33	-52.55
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017365154	0	34	-1.0	-60.12	308.24	5.49	-54.63
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017365155	0	33	-1.0	-51.40	307.10	6.91	-44.49
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C	REAL300017365156	0	41	-1.0	-63.59	354.75	2.80	-60.79
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C2S1	REAL300017365157	0	42	-1.0	-56.82	372.30	8.45	-48.37
N#CCC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365158	0	34	-1.0	-68.14	304.97	7.03	-61.11
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(Br)=C1	REAL300017365159	0	34	-1.0	-47.39	291.25	4.89	-42.50
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300017365160	0	35	-1.0	-57.00	314.19	0.98	-56.02
CC1=CC2=C(C=C1S(=O)(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])OCO2	REAL300017365161	0	36	-1.0	-57.94	300.27	5.05	-52.89
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365162	0	36	-1.0	-46.31	290.94	5.87	-40.44
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017365163	0	30	-1.0	-44.31	275.91	6.01	-38.30
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365164	0	36	-1.0	-53.25	291.75	7.25	-46.00
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017365165	0	30	-1.0	-47.85	278.39	6.06	-41.79
COC1=CC2=C(C=C1S(=O)(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])OCC(=O)N2	REAL300017365166	0	40	-1.0	-58.89	332.21	2.46	-56.43
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017365167	0	31	-1.0	-51.72	279.41	3.60	-48.12
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017365168	0	30	-1.0	-46.93	278.35	5.94	-40.99
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1OC	REAL300017365169	0	40	-1.0	-60.31	344.85	6.57	-53.74
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365170	0	34	-1.0	-54.38	308.83	2.69	-51.69
CCOC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365171	0	37	-1.0	-60.18	314.09	6.09	-54.09
CC1(C)CC2=CC=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=C2O1	REAL300017365172	0	41	-1.0	-56.69	331.04	6.64	-50.05
N#CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300017365173	0	34	-1.0	-58.52	319.44	7.03	-51.49
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365211	0	31	-1.0	-44.37	279.37	5.72	-38.65
CC1=CC=C(C#N)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365212	0	34	-1.0	-56.37	282.04	6.08	-50.29
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(=O)N(C)C	REAL300017365213	0	44	-1.0	-62.93	364.74	5.90	-57.03
CC1CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300017365214	0	38	-1.0	-56.23	336.50	6.99	-49.24
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017365215	0	35	-1.0	-54.08	309.34	7.12	-46.96
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017365216	0	44	-1.0	-55.20	377.60	8.10	-47.10
CC1=CC=C(Br)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365217	0	33	-1.0	-60.21	293.92	6.91	-53.30
COC(=O)C1=COC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365218	0	33	-1.0	-58.74	297.52	4.12	-54.62
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300017365219	0	41	-1.0	-62.35	345.12	6.09	-56.26
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017365220	0	32	-1.0	-56.02	289.43	4.79	-51.23
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365221	0	40	-1.0	-64.33	336.60	6.07	-58.26
COC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])SC=C1	REAL300017365222	0	31	-1.0	-68.42	284.80	4.22	-64.20
CC(=O)NC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1C	REAL300017365223	0	40	-1.0	-69.71	336.95	5.60	-64.11
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCCC(F)(F)F	REAL300017365224	0	32	-1.0	-61.16	287.55	5.54	-55.62
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017365225	0	35	-1.0	-61.64	304.88	5.59	-56.05
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300017365226	0	36	-1.0	-50.34	296.47	2.81	-47.53
CN1CCCC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C21	REAL300017365227	0	42	-1.0	-65.13	337.24	6.43	-58.70
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017365228	0	32	-1.0	-45.66	292.13	4.62	-41.04
CC1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365229	0	33	-1.0	-60.99	291.17	6.81	-54.18
COC1=CC=CC(OC)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365230	0	38	-1.0	-68.48	316.74	6.18	-62.30
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CN=C1Cl	REAL300017365231	0	32	-1.0	-52.87	287.72	4.55	-48.32
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017365232	0	36	-1.0	-60.79	314.11	4.92	-55.87
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017365233	0	29	-1.0	-51.15	283.96	5.64	-45.51
CC(C)(C)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300017365234	0	39	-1.0	-53.07	330.01	7.08	-45.99
CC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1C#N	REAL300017365235	0	34	-1.0	-71.99	294.94	6.58	-65.41
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(OC)=C1	REAL300017365236	0	38	-1.0	-58.22	316.78	3.95	-54.27
N#CC1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365237	0	31	-1.0	-49.53	279.86	5.86	-43.67
CN1C=NC2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C21	REAL300017365238	0	36	-1.0	-72.42	311.42	7.19	-65.23
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017365239	0	38	-1.0	-64.28	300.29	6.87	-57.41
CCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1CC	REAL300017365240	0	42	-1.0	-61.15	339.82	8.44	-52.71
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365241	0	38	-1.0	-44.84	303.95	6.69	-38.15
CC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1Cl	REAL300017365242	0	33	-1.0	-49.87	278.00	6.08	-43.79
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C(C)O1	REAL300017365243	0	36	-1.0	-57.93	308.87	4.77	-53.16
CC1=C(C)SC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365244	0	33	-1.0	-53.92	289.15	5.78	-48.14
NC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365245	0	31	-1.0	-49.85	273.03	3.14	-46.71
CCC1=NC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300017365246	0	32	-1.0	-57.27	292.76	4.47	-52.80
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017365247	0	36	-1.0	-57.44	292.16	6.93	-50.51
COC(=O)C1=NSC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365248	0	32	-1.0	-67.89	290.40	4.20	-63.69
COC(=O)C1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])SC=N1	REAL300017365249	0	32	-1.0	-56.63	292.41	3.94	-52.69
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(C)=C1F	REAL300017365250	0	36	-1.0	-57.14	309.99	7.20	-49.94
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017365251	0	38	-1.0	-78.98	322.30	4.32	-74.66
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017365252	0	41	-1.0	-59.65	327.54	3.84	-55.81
COC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CN1C	REAL300017365253	0	37	-1.0	-50.89	318.66	5.43	-45.46
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017365254	0	29	-1.0	-54.94	274.52	4.55	-50.39
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365255	0	41	-1.0	-63.25	345.68	7.67	-55.58
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017365256	0	33	-1.0	-53.13	305.90	6.79	-46.34
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017365257	0	33	-1.0	-46.31	304.07	6.80	-39.51
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017365258	0	30	-1.0	-65.50	278.82	6.66	-58.84
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CN=C1Cl	REAL300017365259	0	33	-1.0	-45.88	297.89	3.36	-42.52
N#CC1=CC=C(F)C(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365260	0	34	-1.0	-56.06	310.04	6.67	-49.39
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300017365261	0	35	-1.0	-52.94	308.19	4.15	-48.79
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017365262	0	29	-1.0	-56.23	281.12	5.15	-51.08
COCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365263	0	37	-1.0	-55.50	312.86	5.09	-50.41
COC1=CC(C#N)=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365264	0	35	-1.0	-50.64	301.63	5.59	-45.05
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365265	0	36	-1.0	-57.68	329.10	6.57	-51.11
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017365266	0	33	-1.0	-49.70	290.74	3.02	-46.68
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300017365267	0	36	-1.0	-49.92	306.45	2.99	-46.93
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365268	0	39	-1.0	-67.85	342.82	3.56	-64.29
CC(=O)NC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1F	REAL300017365269	0	37	-1.0	-72.01	323.62	4.86	-67.15
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C21	REAL300017365270	0	44	-1.0	-83.61	353.87	7.36	-76.25
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017365271	0	33	-1.0	-51.87	280.22	4.00	-47.87
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365272	0	36	-1.0	-49.61	300.33	6.68	-42.93
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365273	0	40	-1.0	-68.50	341.22	2.71	-65.79
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2CC1	REAL300017365274	0	47	-1.0	-59.00	370.59	7.34	-51.66
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300017365275	0	39	-1.0	-53.80	347.67	7.33	-46.47
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365276	0	39	-1.0	-50.72	320.15	7.43	-43.29
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300017365277	0	33	-1.0	-51.79	285.52	6.47	-45.32
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017365278	0	33	-1.0	-51.82	295.36	6.93	-44.89
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365279	0	44	-1.0	-64.25	374.27	4.06	-60.19
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365280	0	43	-1.0	-64.85	356.49	6.77	-58.08
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1C	REAL300017365281	0	42	-1.0	-57.04	355.60	7.96	-49.08
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365282	0	42	-1.0	-67.07	361.53	8.22	-58.85
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1OC	REAL300017365283	0	41	-1.0	-51.94	346.86	5.21	-46.73
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C(F)C=C1C	REAL300017365284	0	42	-1.0	-53.47	352.84	7.47	-46.00
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017365285	0	36	-1.0	-60.92	324.56	7.91	-53.01
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365286	0	39	-1.0	-58.29	334.40	6.87	-51.42
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017365287	0	40	-1.0	-67.09	336.98	9.26	-57.83
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365288	0	44	-1.0	-56.60	376.93	3.14	-53.46
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300017365289	0	33	-1.0	-53.54	300.52	6.81	-46.73
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CN1C	REAL300017365290	0	42	-1.0	-62.12	359.07	6.65	-55.47
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017365291	0	34	-1.0	-62.80	310.85	6.49	-56.31
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017365292	0	33	-1.0	-53.58	289.97	6.22	-47.36
CC1=NC(Cl)=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365293	0	32	-1.0	-46.02	273.44	4.12	-41.90
CC1=NC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C(Br)N1C	REAL300017365294	0	33	-1.0	-70.30	303.55	5.31	-64.99
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017365295	0	31	-1.0	-45.00	280.82	4.18	-40.82
COC(=O)C(C)(C)CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365296	0	38	-1.0	-51.05	307.41	5.30	-45.75
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365297	0	43	-1.0	-61.78	356.57	6.74	-55.04
COC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(F)=C1	REAL300017365298	0	36	-1.0	-46.67	312.40	5.99	-40.68
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365299	0	41	-1.0	-57.64	351.95	4.83	-52.81
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300017365300	0	45	-1.0	-57.50	369.95	8.26	-49.24
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365301	0	42	-1.0	-59.04	361.44	4.58	-54.46
COC(=O)C1(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CCCC1	REAL300017365302	0	42	-1.0	-58.45	333.11	7.04	-51.41
COCC1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365303	0	37	-1.0	-54.49	329.28	5.59	-48.90
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300017365304	0	36	-1.0	-55.89	317.22	7.38	-48.51
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017365305	0	41	-1.0	-53.11	364.72	8.77	-44.34
COC(=O)CC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365306	0	39	-1.0	-67.45	339.67	7.30	-60.15
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017365307	0	36	-1.0	-59.18	325.67	7.83	-51.35
COC(=O)C1(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CCC1	REAL300017365308	0	39	-1.0	-56.75	320.17	5.90	-50.85
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017365309	0	30	-1.0	-56.71	295.31	6.05	-50.66
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365310	0	43	-1.0	-54.79	367.66	5.72	-49.07
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365311	0	46	-1.0	-64.07	389.30	6.70	-57.37
COC(=O)C1(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CCCCC1	REAL300017365312	0	45	-1.0	-59.21	332.83	7.55	-51.66
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365313	0	38	-1.0	-66.34	333.39	6.62	-59.72
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N1	REAL300017365314	0	32	-1.0	-70.69	285.43	4.64	-66.05
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300017365315	0	34	-1.0	-67.95	294.04	5.73	-62.22
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])=C2	REAL300017365316	0	43	-1.0	-64.07	357.29	9.22	-54.85
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017365317	0	33	-1.0	-48.62	313.09	7.25	-41.37
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017365318	0	33	-1.0	-48.56	303.96	6.84	-41.72
COC1=CC=C(Br)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1F	REAL300017365319	0	34	-1.0	-69.57	309.64	5.82	-63.75
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365320	0	40	-1.0	-50.25	330.61	7.71	-42.54
CC(C)(CCS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1CC1	REAL300017365321	0	42	-1.0	-60.04	326.86	7.33	-52.71
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017365322	0	34	-1.0	-60.20	308.75	7.47	-52.73
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCCC1=CC=CC=C1	REAL300017365323	0	39	-1.0	-51.92	325.03	7.76	-44.16
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C(C(N)=O)O1	REAL300017365325	0	34	-1.0	-62.09	290.57	0.82	-61.27
CCCC1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365329	0	39	-1.0	-56.07	303.61	7.69	-48.38
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017365330	0	39	-1.0	-62.93	322.24	6.25	-56.68
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC=C1C(F)F	REAL300017365331	0	30	-1.0	-48.07	260.97	4.93	-43.14
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017365332	0	36	-1.0	-61.72	314.24	7.46	-54.26
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365333	0	46	-1.0	-61.83	381.02	8.74	-53.09
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017365334	0	35	-1.0	-53.67	286.77	5.47	-48.20
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C21	REAL300017365335	0	50	-1.0	-73.82	388.81	8.22	-65.60
COC(=O)C1=CN(C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365336	0	37	-1.0	-69.53	324.35	6.00	-63.53
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C21	REAL300017365337	0	44	-1.0	-60.32	358.27	5.93	-54.39
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017365338	0	45	-1.0	-71.43	373.75	8.49	-62.94
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C21	REAL300017365339	0	44	-1.0	-71.84	363.97	7.77	-64.07
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017365340	0	37	-1.0	-57.33	307.68	4.99	-52.34
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300017365341	0	37	-1.0	-57.36	310.50	5.68	-51.68
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017365342	0	40	-1.0	-55.72	327.75	6.28	-49.44
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017365350	0	36	-1.0	-59.87	329.58	6.79	-53.08
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017365351	0	36	-1.0	-57.45	308.17	2.63	-54.82
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(Br)C=CO1	REAL300017365352	0	27	-1.0	-59.94	263.21	4.61	-55.33
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300017365353	0	37	-1.0	-59.69	297.08	5.26	-54.43
COC1=C(F)C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300017365354	0	34	-1.0	-54.11	308.60	5.41	-48.70
COC1=CC(F)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300017365355	0	34	-1.0	-58.87	303.96	5.31	-53.56
CCCCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300017365356	0	55	-1.0	-61.07	437.22	10.46	-50.61
COC1=CC(C(C)C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C	REAL300017365357	0	46	-1.0	-56.11	344.64	6.76	-49.35
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365358	0	40	-1.0	-58.86	326.69	6.79	-52.07
CCOCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300017365359	0	53	-1.0	-63.49	428.21	8.32	-55.17
CC1=CSC(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365360	0	33	-1.0	-49.69	270.36	5.01	-44.68
CC1CC2=CC=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=C2O1	REAL300017365361	0	38	-1.0	-56.54	310.44	5.98	-50.56
CC(C)(C)C1=NC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300017365362	0	38	-1.0	-54.26	325.98	5.01	-49.25
N#CC1(C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)CC1	REAL300017365363	0	38	-1.0	-60.26	330.97	8.04	-52.22
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365364	0	34	-1.0	-61.46	300.67	6.46	-55.00
CC1=C(Br)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C(C)S1	REAL300017365365	0	33	-1.0	-50.79	292.54	6.12	-44.67
CC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(Br)=C1	REAL300017365366	0	33	-1.0	-59.39	309.18	7.75	-51.64
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C21	REAL300017365367	0	47	-1.0	-82.66	370.71	7.80	-74.86
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017365368	0	36	-1.0	-61.70	314.20	6.36	-55.34
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C21	REAL300017365369	0	44	-1.0	-71.14	363.08	7.41	-63.73
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC=C1Cl	REAL300017365370	0	27	-1.0	-46.74	254.79	4.65	-42.09
CN1N=C(Br)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365371	0	30	-1.0	-49.99	277.35	3.55	-46.44
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017365372	0	32	-1.0	-49.71	291.47	4.56	-45.15
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365373	0	35	-1.0	-73.18	305.31	5.36	-67.82
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017365374	0	39	-1.0	-54.23	301.28	5.37	-48.86
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017365375	0	34	-1.0	-48.62	308.01	5.75	-42.87
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017365376	0	31	-1.0	-56.10	277.91	4.62	-51.48
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017365377	0	33	-1.0	-54.64	296.04	6.84	-47.80
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017365378	0	34	-1.0	-61.74	315.35	6.32	-55.42
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017365379	0	33	-1.0	-74.25	308.02	5.56	-68.69
CN1N=C(C2CC2)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365380	0	37	-1.0	-53.00	307.71	5.10	-47.90
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=C1F	REAL300017365381	0	39	-1.0	-59.24	316.25	8.02	-51.22
COC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1OC	REAL300017365382	0	38	-1.0	-52.39	307.27	5.24	-47.15
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017365383	0	39	-1.0	-72.32	331.04	3.09	-69.23
N#CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1Br	REAL300017365384	0	31	-1.0	-58.55	303.29	6.75	-51.80
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300017365385	0	33	-1.0	-63.10	290.39	6.06	-57.04
COC1=CC=C(F)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1OC	REAL300017365386	0	38	-1.0	-65.17	324.08	5.86	-59.31
COC(=O)C1=C(Br)OC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365387	0	33	-1.0	-58.14	321.45	5.23	-52.91
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(I)S1	REAL300017365388	0	27	-1.0	-57.54	283.04	6.06	-51.48
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300017365389	0	43	-1.0	-62.62	345.22	6.53	-56.09
N#CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300017365390	0	34	-1.0	-66.06	312.16	7.78	-58.28
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2CC2)=N1	REAL300017365392	0	37	-1.0	-52.10	304.30	4.92	-47.18
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017365393	0	32	-1.0	-61.78	294.72	9.97	-51.81
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017365394	0	34	-1.0	-53.75	296.72	4.95	-48.80
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017365395	0	34	-1.0	-68.20	315.39	6.34	-61.86
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017365396	0	33	-1.0	-66.29	293.02	4.87	-61.42
CN1N=NC2=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=CC=C21	REAL300017365397	0	35	-1.0	-55.78	298.29	3.74	-52.04
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Br	REAL300017365399	0	36	-1.0	-53.71	300.95	6.66	-47.05
CC1(C)CCCN(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300017365400	0	41	-1.0	-59.87	317.22	6.21	-53.66
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017365401	0	36	-1.0	-55.32	330.84	6.98	-48.34
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017365402	0	33	-1.0	-52.48	284.53	5.51	-46.97
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300017365403	0	40	-1.0	-60.97	328.60	6.01	-54.96
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365404	0	48	-1.0	-57.29	355.85	8.64	-48.65
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017365405	0	36	-1.0	-55.57	333.94	7.74	-47.83
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(Cl)SC=C1	REAL300017365406	0	27	-1.0	-48.82	257.17	4.67	-44.15
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017365407	0	40	-1.0	-49.70	331.69	5.95	-43.75
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017365408	0	34	-1.0	-64.35	302.40	6.98	-57.37
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017365409	0	41	-1.0	-56.89	349.32	8.07	-48.82
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365410	0	43	-1.0	-67.04	347.59	3.76	-63.28
COC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017365411	0	39	-1.0	-73.82	328.28	6.82	-67.00
CCCC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365412	0	39	-1.0	-60.94	327.11	8.08	-52.86
COC(=O)C1=NN(C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365413	0	36	-1.0	-57.44	311.57	3.77	-53.67
N#CC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365414	0	31	-1.0	-49.28	272.56	5.22	-44.06
CN1N=C2CCCC2=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365415	0	37	-1.0	-58.35	308.71	5.37	-52.98
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017365416	0	34	-1.0	-53.11	319.17	7.21	-45.90
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2C=C1	REAL300017365417	0	42	-1.0	-57.18	357.90	8.34	-48.84
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300017365418	0	39	-1.0	-60.30	351.74	8.46	-51.84
CC(C)(C)N1N=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365419	0	39	-1.0	-52.85	303.61	4.89	-47.96
CC(C)(C)N1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300017365420	0	39	-1.0	-50.97	322.03	5.04	-45.93
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300017365421	0	37	-1.0	-50.34	296.18	4.03	-46.31
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300017365422	0	35	-1.0	-46.24	308.61	5.25	-40.99
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017365423	0	33	-1.0	-48.88	302.92	6.42	-42.46
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017365424	0	30	-1.0	-47.17	263.54	4.89	-42.28
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017365425	0	30	-1.0	-52.42	294.51	5.99	-46.43
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CCC(F)(F)CC1	REAL300017365426	0	35	-1.0	-55.71	292.24	5.14	-50.57
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017365427	0	33	-1.0	-51.61	314.67	7.27	-44.34
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017365428	0	33	-1.0	-46.93	269.37	5.76	-41.17
CCCC(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365429	0	41	-1.0	-63.98	347.32	7.90	-56.08
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017365430	0	41	-1.0	-63.68	332.23	8.90	-54.78
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C21	REAL300017365431	0	40	-1.0	-68.83	337.37	7.08	-61.75
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017365432	0	36	-1.0	-58.32	325.03	6.88	-51.44
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017365433	0	36	-1.0	-59.36	305.35	6.29	-53.07
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365434	0	35	-1.0	-56.11	312.99	5.89	-50.22
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365435	0	40	-1.0	-51.68	354.00	6.12	-45.56
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017365436	0	39	-1.0	-63.09	332.47	5.38	-57.71
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017365437	0	30	-1.0	-45.26	265.93	4.53	-40.73
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300017365438	0	37	-1.0	-63.22	311.99	7.98	-55.24
COC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=CS1	REAL300017365439	0	31	-1.0	-54.20	275.78	3.89	-50.31
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017365440	0	33	-1.0	-53.39	285.02	6.48	-46.91
COC(=O)C1=C(C)SC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365441	0	36	-1.0	-53.86	322.20	5.74	-48.12
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017365442	0	37	-1.0	-50.51	306.96	7.44	-43.07
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017365443	0	40	-1.0	-51.97	319.99	5.94	-46.03
CCC(C)N1N=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365444	0	39	-1.0	-52.21	313.36	4.99	-47.22
CNC(=O)NC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365445	0	39	-1.0	-64.81	334.72	3.32	-61.49
CS(=O)(=O)C1=CSC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365446	0	33	-1.0	-66.71	316.69	2.35	-64.36
CN(C1CCCCCC1)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365447	0	44	-1.0	-60.53	334.66	6.80	-53.73
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365448	0	34	-1.0	-52.23	292.59	5.32	-46.91
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300017365449	0	44	-1.0	-52.38	344.02	4.00	-48.38
CC(F)(F)C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365450	0	36	-1.0	-57.72	315.93	7.40	-50.32
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017365451	0	34	-1.0	-62.73	301.97	5.45	-57.28
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017365452	0	45	-1.0	-59.07	358.72	8.44	-50.63
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300017365453	0	31	-1.0	-59.16	286.67	4.31	-54.85
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=NC=CC=C12	REAL300017365454	0	41	-1.0	-61.43	318.43	7.91	-53.52
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017365455	0	38	-1.0	-57.49	318.70	5.94	-51.55
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300017365456	0	33	-1.0	-55.60	290.05	4.03	-51.57
CCOCC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365457	0	40	-1.0	-62.05	339.65	6.55	-55.50
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365460	0	40	-1.0	-55.25	334.91	6.61	-48.64
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017365461	0	43	-1.0	-50.78	344.25	6.25	-44.53
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017365462	0	41	-1.0	-53.73	347.01	8.26	-45.47
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(C)=C1Br	REAL300017365463	0	36	-1.0	-57.87	320.65	7.61	-50.26
CCN1N=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1Cl	REAL300017365464	0	33	-1.0	-50.71	293.97	4.14	-46.57
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017365465	0	34	-1.0	-60.05	312.77	7.56	-52.49
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])=C2	REAL300017365466	0	36	-1.0	-52.44	342.16	6.67	-45.77
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017365467	0	30	-1.0	-59.12	292.68	6.71	-52.41
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017365468	0	32	-1.0	-42.08	293.36	4.52	-37.56
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017365469	0	35	-1.0	-67.69	316.87	6.92	-60.77
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017365470	0	35	-1.0	-52.28	302.49	5.99	-46.29
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300017365471	0	39	-1.0	-58.39	309.92	7.81	-50.58
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365472	0	34	-1.0	-60.81	315.47	6.57	-54.24
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017365473	0	37	-1.0	-57.58	315.40	5.74	-51.84
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C21	REAL300017365474	0	44	-1.0	-52.12	362.37	6.87	-45.25
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017365475	0	30	-1.0	-60.28	290.30	6.48	-53.80
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])O1	REAL300017365476	0	36	-1.0	-68.56	326.76	2.14	-66.42
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300017365477	0	40	-1.0	-53.98	330.46	6.45	-47.53
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017365478	0	36	-1.0	-65.79	335.72	3.18	-62.61
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017365479	0	34	-1.0	-49.97	297.69	6.68	-43.29
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017365480	0	34	-1.0	-61.44	316.02	7.65	-53.79
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017365481	0	34	-1.0	-49.76	312.56	7.24	-42.52
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017365482	0	34	-1.0	-61.95	306.79	7.18	-54.77
COC(=O)C1CCCCN1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365483	0	41	-1.0	-67.44	324.40	6.50	-60.94
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C21	REAL300017365484	0	52	-1.0	-61.52	392.42	10.05	-51.47
N#CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017365485	0	33	-1.0	-63.16	308.23	6.69	-56.47
COC1=CC=C(C=C(C)S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365486	0	41	-1.0	-53.23	334.34	6.38	-46.85
COC(=O)C=CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365487	0	40	-1.0	-61.13	349.72	7.73	-53.40
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=NN1	REAL300017365488	0	36	-1.0	-60.36	323.33	3.67	-56.69
COC1=CSC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1OC	REAL300017365489	0	35	-1.0	-62.23	315.73	3.92	-58.31
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1C[C@@H]3C[C@@H]3[C@@H]1C(=O)[O-])C2	REAL300017365490	0	47	-1.0	-67.71	323.28	10.19	-57.52
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017365491	0	42	-1.0	-60.10	322.71	6.33	-53.77
CN(CCC1=CC=CC=C1)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365492	0	41	-1.0	-58.25	339.02	7.55	-50.70
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017365493	0	41	-1.0	-68.63	321.23	11.63	-57.00
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017365494	0	47	-1.0	-66.63	353.40	11.75	-54.88
CC(C)(C)OC(=O)N1CCN(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300017365495	0	48	-1.0	-67.06	357.50	8.32	-58.74
CN(C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-])C1CCS(=O)(=O)C1	REAL300017365496	0	37	-1.0	-74.90	294.23	4.33	-70.57
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365497	0	49	-1.0	-66.89	369.96	9.10	-57.79
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365498	0	34	-1.0	-61.17	314.87	7.03	-54.14
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017365499	0	34	-1.0	-59.14	300.72	6.11	-53.03
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017365500	0	34	-1.0	-56.29	299.97	4.94	-51.35
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365501	0	36	-1.0	-54.69	296.11	4.99	-49.70
CN1C=CC2=CC(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])=CC=C21	REAL300017365502	0	37	-1.0	-64.50	316.77	7.59	-56.91
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017365503	0	33	-1.0	-43.20	268.13	5.91	-37.29
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017365504	0	39	-1.0	-54.18	336.45	5.90	-48.28
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017365505	0	27	-1.0	-47.16	282.00	5.51	-41.65
CN1N=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1Cl	REAL300017365506	0	30	-1.0	-50.71	272.08	3.26	-47.45
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365507	0	43	-1.0	-64.01	356.08	8.18	-55.83
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017365508	0	47	-1.0	-54.64	375.65	7.34	-47.30
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017365509	0	33	-1.0	-58.42	319.42	7.24	-51.18
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017365510	0	35	-1.0	-62.14	314.53	6.47	-55.67
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365511	0	38	-1.0	-57.32	310.78	5.26	-52.06
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(I)C=CS1	REAL300017365512	0	27	-1.0	-47.46	264.27	5.00	-42.46
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017365513	0	41	-1.0	-59.82	353.20	8.74	-51.08
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365514	0	36	-1.0	-53.94	282.79	6.07	-47.87
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017365515	0	35	-1.0	-48.06	312.45	3.98	-44.08
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017365516	0	31	-1.0	-48.03	294.97	4.19	-43.84
COCN1N=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365517	0	34	-1.0	-53.54	287.76	1.50	-52.04
CC1=CC(Cl)=NC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365518	0	32	-1.0	-52.69	274.18	4.22	-48.47
C=C(C)COC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365519	0	41	-1.0	-67.35	346.36	7.49	-59.86
CCN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C2CC2)=N1	REAL300017365520	0	40	-1.0	-52.05	325.72	5.79	-46.26
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300017365521	0	34	-1.0	-70.96	296.33	4.93	-66.03
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017365522	0	36	-1.0	-54.21	319.87	8.21	-46.00
CC(=O)OC1CCN(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300017365523	0	38	-1.0	-60.83	322.83	5.06	-55.77
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017365524	0	40	-1.0	-54.29	348.73	9.29	-45.00
CCC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1Br	REAL300017365525	0	36	-1.0	-56.78	321.82	7.75	-49.03
CC1=NN(C2CCCC2)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365526	0	43	-1.0	-53.84	340.37	6.30	-47.54
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300017365527	0	27	-1.0	-55.16	271.55	5.37	-49.79
COCCC1=CC=C(OC)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365528	0	44	-1.0	-58.21	356.55	5.67	-52.54
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017365529	0	36	-1.0	-51.97	304.87	7.74	-44.23
CN1N=C2CCOCC2=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365530	0	38	-1.0	-51.69	302.77	2.74	-48.95
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300017365531	0	37	-1.0	-55.69	280.57	6.67	-49.02
CC1(C)CCN(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300017365532	0	41	-1.0	-58.55	315.66	5.93	-52.62
CC(=O)OCC1CCN(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300017365533	0	44	-1.0	-63.11	357.95	6.59	-56.52
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365534	0	44	-1.0	-68.90	374.06	6.20	-62.70
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017365535	0	40	-1.0	-60.23	327.33	3.63	-56.60
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=N1	REAL300017365536	0	36	-1.0	-49.78	287.44	2.39	-47.39
COC1=NC=C(C)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365537	0	36	-1.0	-54.19	301.75	3.24	-50.95
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017365538	0	45	-1.0	-53.83	360.62	5.81	-48.02
COC1=NC=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365539	0	33	-1.0	-49.94	294.51	3.01	-46.93
COC1=NC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C	REAL300017365540	0	36	-1.0	-53.58	304.39	2.75	-50.83
CC(C)CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300017365541	0	39	-1.0	-57.48	320.32	5.48	-52.00
CC1=NN(C(C)C)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365542	0	39	-1.0	-50.50	313.46	4.58	-45.92
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017365543	0	29	-1.0	-54.64	280.73	4.31	-50.33
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017365544	0	34	-1.0	-56.99	325.69	7.96	-49.03
COC(=O)C1=NC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C	REAL300017365545	0	38	-1.0	-53.89	325.37	4.70	-49.19
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365546	0	33	-1.0	-54.73	285.75	6.78	-47.95
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300017365547	0	37	-1.0	-55.56	309.39	6.08	-49.48
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017365548	0	37	-1.0	-56.64	307.42	6.42	-50.22
COC1=NOC(CS(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365549	0	33	-1.0	-53.28	289.97	1.76	-51.52
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300017365550	0	35	-1.0	-63.53	297.97	6.23	-57.30
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=NN1C(C)C	REAL300017365551	0	39	-1.0	-58.49	314.74	4.98	-53.51
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017365552	0	37	-1.0	-60.39	322.63	8.05	-52.34
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017365553	0	32	-1.0	-54.10	286.68	4.43	-49.67
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365554	0	44	-1.0	-54.35	368.37	9.02	-45.33
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017365555	0	37	-1.0	-56.21	319.29	7.58	-48.63
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)N1CCC(C(F)(F)F)CC1	REAL300017365556	0	37	-1.0	-66.21	292.43	8.46	-57.75
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017365557	0	34	-1.0	-48.78	303.47	5.65	-43.13
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)N1CC=C(Br)CC1	REAL300017365558	0	32	-1.0	-65.21	269.36	8.13	-57.08
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017365559	0	33	-1.0	-53.32	290.01	6.16	-47.16
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365560	0	38	-1.0	-63.34	320.83	1.68	-61.66
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300017365561	0	37	-1.0	-58.14	293.94	3.94	-54.20
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017365563	0	37	-1.0	-54.09	285.92	6.59	-47.50
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(Cl)=C1Cl	REAL300017365564	0	33	-1.0	-60.01	302.17	7.16	-52.85
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017365565	0	34	-1.0	-45.52	303.67	5.11	-40.41
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017365566	0	37	-1.0	-51.71	323.84	6.37	-45.34
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C(F)F)=C1	REAL300017365567	0	37	-1.0	-68.00	308.20	6.19	-61.81
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365568	0	36	-1.0	-51.73	319.05	3.55	-48.18
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C2=NC=CC=C12	REAL300017365569	0	38	-1.0	-62.90	312.35	6.91	-55.99
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)N1CC(OCC2=CC=CC=C2)C1	REAL300017365570	0	42	-1.0	-66.89	340.77	9.21	-57.68
CC(C)(C)OC(=O)NC1CN(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C1	REAL300017365571	0	45	-1.0	-68.88	352.11	6.02	-62.86
CC(=O)OCC1CCN(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])CC1	REAL300017365572	0	43	-1.0	-70.27	332.39	9.12	-61.15
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)N1CC=C(Br)CC1	REAL300017365573	0	33	-1.0	-56.40	294.23	5.53	-50.87
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365575	0	43	-1.0	-56.50	341.10	7.37	-49.13
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C(Cl)S1	REAL300017365576	0	30	-1.0	-52.02	272.63	5.45	-46.57
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017365577	0	37	-1.0	-48.08	325.77	6.14	-41.94
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=C2CCCCN2N=C1	REAL300017365578	0	37	-1.0	-57.26	302.91	4.97	-52.29
CCN1C=C(S(=O)(=O)NC2CCCCC23CCC3)C=C1C(=O)[O-]	REAL300017365579	0	46	-1.0	-52.84	364.40	6.62	-46.22
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCCC12CCC2	REAL300017365580	0	51	-1.0	-55.16	384.30	8.30	-46.86
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2CCCCC23CCC3)=C1	REAL300017365581	0	52	-1.0	-57.13	389.41	9.03	-48.10
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2CCCCC23CCC3)=C1	REAL300017365582	0	49	-1.0	-57.41	381.23	8.35	-49.06
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2CCCCC23CCC3)=C1	REAL300017365583	0	42	-1.0	-48.23	350.17	7.02	-41.21
O=C([O-])C1=CC(S(=O)(=O)NC2CCCCC23CCC3)=CC=C1Cl	REAL300017365584	0	42	-1.0	-50.61	348.06	6.79	-43.82
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCCCC23CCC3)=C1	REAL300017365585	0	42	-1.0	-52.84	335.53	6.40	-46.44
CC1=CC=C(S(=O)(=O)NC2CCCCC23CCC3)C=C1C(=O)[O-]	REAL300017365586	0	45	-1.0	-52.25	351.54	6.93	-45.32
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCC23CCC3)C=C1	REAL300017365587	0	42	-1.0	-48.05	335.48	6.41	-41.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCCCC23CCC3)=C1C	REAL300017365588	0	48	-1.0	-57.43	366.42	7.66	-49.77
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCCCC23CCC3)S1	REAL300017365589	0	42	-1.0	-47.23	350.90	6.37	-40.86
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCCC12CCC2	REAL300017365590	0	45	-1.0	-55.84	351.42	7.35	-48.49
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CC(C)(C)C1=C(S(=O)(=O)NC2CCCCC23CCC3)C=C(C(=O)[O-])S1	REAL300017365659	0	51	-1.0	-49.30	380.53	8.00	-41.30
CC1=C(Cl)C=C(S(=O)(=O)NC2CCCCC23CCC3)C=C1C(=O)[O-]	REAL300017365660	0	45	-1.0	-46.41	365.43	7.36	-39.05
CC1=C(F)C=C(S(=O)(=O)NC2CCCCC23CCC3)C=C1C(=O)[O-]	REAL300017365661	0	45	-1.0	-45.82	356.72	6.97	-38.85
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CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCCCC12CCC2	REAL300017365672	0	45	-1.0	-56.59	356.16	7.38	-49.21
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CCC1=C(S(=O)(=O)NC2CCCCC23CCC3)C=C(C(=O)[O-])O1	REAL300017365677	0	45	-1.0	-52.69	361.20	6.33	-46.36
CCN1C=C(S(=O)(=O)NCCC2CC=CCC2)C=C1C(=O)[O-]	REAL300017365678	0	43	-1.0	-52.73	357.48	6.18	-46.55
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1CC=CCC1	REAL300017365679	0	48	-1.0	-55.14	383.57	8.07	-47.07
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CC1=CC=C(S(=O)(=O)NCCC2CC=CCC2)C=C1C(=O)[O-]	REAL300017365685	0	42	-1.0	-53.63	349.52	6.61	-47.02
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CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2CC=CCC2)=C1C	REAL300017365687	0	45	-1.0	-56.97	361.05	7.40	-49.57
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CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1CC=CCC1	REAL300017365689	0	42	-1.0	-55.63	344.09	6.87	-48.76
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CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1CC=CCC1	REAL300017365691	0	45	-1.0	-55.39	361.06	7.77	-47.62
CN1C=C(S(=O)(=O)NCCC2CC=CCC2)C=C1C(=O)[O-]	REAL300017365692	0	40	-1.0	-52.02	335.96	5.31	-46.71
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCCC2CC=CCC2)=C1	REAL300017365693	0	39	-1.0	-47.88	338.44	5.65	-42.23
CC1=C(C(=O)[O-])C(S(=O)(=O)NCCC2CC=CCC2)=C(C)O1	REAL300017365694	0	42	-1.0	-55.24	343.73	6.33	-48.91
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CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCC1CC=CCC1	REAL300017365696	0	42	-1.0	-48.79	338.63	6.71	-42.08
CCC1=CC=C(S(=O)(=O)NCCC2CC=CCC2)C=C1C(=O)[O-]	REAL300017365697	0	45	-1.0	-52.02	363.39	7.15	-44.87
CC1=CC(S(=O)(=O)NCCC2CC=CCC2)=CC=C1C(=O)[O-]	REAL300017365698	0	42	-1.0	-48.18	345.46	6.51	-41.67
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CC1=CC(C)=C(S(=O)(=O)NCCC2CC=CCC2)C=C1C(=O)[O-]	REAL300017365708	0	45	-1.0	-55.45	360.03	7.40	-48.05
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1CC=CCC1	REAL300017365709	0	43	-1.0	-57.16	352.84	4.91	-52.25
COC1=CC(S(=O)(=O)NCCC2CC=CCC2)=CC(C(=O)[O-])=C1OC	REAL300017365710	0	47	-1.0	-54.65	387.64	5.77	-48.88
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CCOC1=CC=C(S(=O)(=O)NCCC2CC=CCC2)C=C1C(=O)[O-]	REAL300017365712	0	46	-1.0	-58.94	378.59	6.94	-52.00
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CC1=C(S(=O)(=O)NCCC2CC=CCC2)C=C(C(=O)[O-])O1	REAL300017365715	0	39	-1.0	-53.20	334.06	5.06	-48.14
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CC1=CC(S(=O)(=O)NCCC2CC=CCC2)=CC=C1OCC(=O)[O-]	REAL300017365719	0	46	-1.0	-48.71	380.59	6.96	-41.75
CC1=CC(S(=O)(=O)NCCC2CC=CCC2)=CC=C1OCCCC(=O)[O-]	REAL300017365720	0	52	-1.0	-49.73	423.04	7.89	-41.84
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CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1CC=CCC1	REAL300017365730	0	42	-1.0	-50.25	357.83	7.29	-42.96
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CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2CC=CCC2)=C1F	REAL300017365733	0	42	-1.0	-48.47	347.95	6.36	-42.11
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COC1=CC=C(S(=O)(=O)NCCC2CC=CCC2)C=C1C(=O)[O-]	REAL300017365742	0	43	-1.0	-58.13	356.73	6.03	-52.10
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CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCCC2CC=CCC2)=C1	REAL300017365747	0	42	-1.0	-54.11	347.25	6.36	-47.75
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CC1=CC(S(=O)(=O)NCCC2CC=CCC2)=CC(C(=O)[O-])=C1C	REAL300017365750	0	45	-1.0	-54.67	366.25	7.13	-47.54
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COC1=CC(S(=O)(=O)NCCC2CC=CCC2)=C(Cl)C=C1C(=O)[O-]	REAL300017365752	0	43	-1.0	-50.30	358.33	6.08	-44.22
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CC=CCC2)C=C1Br	REAL300017365753	0	39	-1.0	-46.34	345.55	6.46	-39.88
CC1=CC(S(=O)(=O)NCCC2CC=CCC2)=CC(C(=O)[O-])=C1F	REAL300017365754	0	42	-1.0	-54.59	354.29	6.62	-47.97
CC1=CC(F)=C(S(=O)(=O)NCCC2CC=CCC2)C=C1C(=O)[O-]	REAL300017365755	0	42	-1.0	-47.74	343.74	6.27	-41.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2CC=CCC2)=C1Cl	REAL300017365756	0	42	-1.0	-49.11	349.74	6.61	-42.50
CC1=CC(S(=O)(=O)NCCC2CC=CCC2)=CC(C(=O)[O-])=C1Cl	REAL300017365757	0	42	-1.0	-51.28	360.67	6.92	-44.36
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCC1CC=CCC1	REAL300017365758	0	42	-1.0	-44.38	355.96	7.15	-37.23
COC1=CC(Cl)=C(S(=O)(=O)NCCC2CC=CCC2)C=C1C(=O)[O-]	REAL300017365759	0	43	-1.0	-53.85	358.35	6.09	-47.76
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CC=CCC2)C(OC(F)(F)F)=C1	REAL300017365760	0	43	-1.0	-45.91	366.09	6.30	-39.61
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CC=CCC2)C([N+](=O)[O-])=C1	REAL300017365761	0	41	-1.0	-43.29	346.79	7.46	-35.83
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2CC=CCC2)S1	REAL300017365762	0	36	-1.0	-47.63	321.72	5.10	-42.53
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCC2CC=CCC2)=C1	REAL300017365763	0	42	-1.0	-51.51	351.49	6.74	-44.77
O=C([O-])C1=CC(S(=O)(=O)NCCC2CC=CCC2)=CC=C1[N+](=O)[O-]	REAL300017365764	0	41	-1.0	-60.39	356.00	7.06	-53.33
CC1=CC(C)=C(S(=O)(=O)NCCC2CC=CCC2)C(C)=C1CC(=O)[O-]	REAL300017365765	0	51	-1.0	-49.65	386.87	8.48	-41.17
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2CC=CCC2)=C1[N+](=O)[O-]	REAL300017365766	0	41	-1.0	-55.63	353.03	7.81	-47.82
CC(C)(C)C1=C(S(=O)(=O)NCCC2CC=CCC2)C=C(C(=O)[O-])S1	REAL300017365767	0	48	-1.0	-49.27	379.88	7.75	-41.52
CC1=C(Cl)C=C(S(=O)(=O)NCCC2CC=CCC2)C=C1C(=O)[O-]	REAL300017365768	0	42	-1.0	-47.98	363.05	7.03	-40.95
CC1=C(F)C=C(S(=O)(=O)NCCC2CC=CCC2)C=C1C(=O)[O-]	REAL300017365769	0	42	-1.0	-47.42	354.25	6.64	-40.78
O=C([O-])C1=CC(S(=O)(=O)NCCC2CC=CCC2)=CC2=CC=CC=C21	REAL300017365770	0	45	-1.0	-58.41	370.36	8.09	-50.32
O=C([O-])C1=CC(S(=O)(=O)NCCC2CC=CCC2)=C(F)C(F)=C1F	REAL300017365771	0	39	-1.0	-43.88	338.23	5.80	-38.08
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NCCC2CC=CCC2)=C1OC	REAL300017365772	0	50	-1.0	-49.67	409.34	6.54	-43.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1CC=CCC1	REAL300017365773	0	43	-1.0	-48.24	349.74	5.80	-42.44
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2CC=CCC2)=C1F	REAL300017365774	0	39	-1.0	-54.10	325.90	5.70	-48.40
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCCC2CC=CCC2)=C1	REAL300017365776	0	43	-1.0	-50.90	358.13	5.08	-45.82
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NCCC2CC=CCC2)=C1	REAL300017365777	1	40	-1.0	-51.84	338.89	3.70	-48.14
O=C([O-])C1=CC=NC(S(=O)(=O)NCCC2CC=CCC2)=C1	REAL300017365778	0	38	-1.0	-47.59	325.67	4.08	-43.51
CC1=C(S(=O)(=O)NCCC2CC=CCC2)C(C(=O)[O-])=NN1	REAL300017365779	0	39	-1.0	-58.16	322.38	3.87	-54.29
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1CC=CCC1	REAL300017365780	0	42	-1.0	-56.96	348.60	6.89	-50.07
O=C([O-])C1=CC(S(=O)(=O)NCCC2CC=CCC2)=C(Cl)O1	REAL300017365781	0	36	-1.0	-46.00	320.96	4.58	-41.42
O=C([O-])C1=CC(S(=O)(=O)NCCC2CC=CCC2)=CC=C1OC(F)(F)F	REAL300017365782	0	43	-1.0	-51.17	373.23	6.51	-44.66
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NCCC2CC=CCC2)=C1F	REAL300017365783	0	39	-1.0	-55.43	330.41	5.73	-49.70
O=C([O-])C1=CC(S(=O)(=O)NCCC2CC=CCC2)=CC(F)=C1F	REAL300017365784	0	39	-1.0	-49.30	340.14	6.06	-43.24
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCCC3CC=CCC3)C=C2C1	REAL300017365785	0	46	-1.0	-49.32	374.76	7.85	-41.47
CCC1=C(S(=O)(=O)NCCC2CC=CCC2)C=C(C(=O)[O-])O1	REAL300017365786	0	42	-1.0	-52.81	354.08	5.88	-46.93
CCN1C=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300017365787	0	46	-1.0	-55.81	397.06	6.83	-48.98
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=C1	REAL300017365788	0	42	-1.0	-55.78	369.11	6.61	-49.17
CC1=CC=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300017365789	0	45	-1.0	-58.66	385.18	7.14	-51.52
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C=C1	REAL300017365790	0	42	-1.0	-53.70	369.01	6.62	-47.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=C1C	REAL300017365791	0	48	-1.0	-63.26	400.63	8.05	-55.21
O=C([O-])CC1=CC=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)S1	REAL300017365792	0	42	-1.0	-52.72	383.62	6.56	-46.16
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=NN1C1=CC=CC=C1	REAL300017365793	0	45	-1.0	-61.98	383.52	7.51	-54.47
O=C([O-])C1=CSC(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=C1	REAL300017365794	0	39	-1.0	-52.74	362.22	5.64	-47.10
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=NN1C1=CC=CC=C1	REAL300017365795	0	48	-1.0	-62.75	403.77	8.53	-54.22
CN1C=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300017365796	0	43	-1.0	-55.23	375.67	5.96	-49.27
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=C1	REAL300017365797	0	42	-1.0	-53.65	378.23	6.29	-47.36
CC1=C(C(=O)[O-])C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=C(C)O1	REAL300017365798	0	45	-1.0	-59.97	383.52	6.98	-52.99
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCC1=CC=NN1C1=CC=CC=C1	REAL300017365799	0	45	-1.0	-52.14	378.18	7.37	-44.77
CCC1=CC=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300017365800	0	48	-1.0	-54.79	403.18	7.79	-47.00
CC1=CC(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300017365801	0	45	-1.0	-52.89	384.56	7.14	-45.75
CC1=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300017365802	0	42	-1.0	-60.41	377.32	6.57	-53.84
CC1=CC(C)=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300017365803	0	48	-1.0	-61.90	400.73	7.96	-53.94
O=C([O-])C1=CC(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=CS1	REAL300017365804	0	39	-1.0	-57.19	360.68	5.65	-51.54
CC1=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300017365805	0	42	-1.0	-58.85	372.98	5.73	-53.12
CC1=CC=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C(C)=C1C(=O)[O-]	REAL300017365806	0	48	-1.0	-55.22	402.25	8.12	-47.10
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1=CC=NN1C1=CC=CC=C1	REAL300017365807	0	45	-1.0	-55.13	384.06	7.53	-47.60
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=C1	REAL300017365808	0	42	-1.0	-50.83	375.53	6.67	-44.16
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C=C1F	REAL300017365809	0	42	-1.0	-55.97	373.62	6.65	-49.32
O=C([O-])C1=CC(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=CC=C1O	REAL300017365810	0	43	-1.0	-57.03	377.90	4.65	-52.38
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C=C1	REAL300017365811	0	46	-1.0	-55.94	400.48	7.91	-48.03
O=C([O-])CCC1=CC=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C=C1	REAL300017365812	0	48	-1.0	-53.15	412.67	8.20	-44.95
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=C1	REAL300017365813	0	42	-1.0	-51.21	367.25	6.36	-44.85
O=C([O-])CC1=CC=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C=C1	REAL300017365814	0	45	-1.0	-53.57	391.27	7.39	-46.18
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C(F)=C1	REAL300017365815	0	42	-1.0	-50.69	367.25	6.37	-44.32
CC1=CC(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=CC(C(=O)[O-])=C1C	REAL300017365816	0	48	-1.0	-61.06	405.81	7.78	-53.28
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)S1	REAL300017365817	0	39	-1.0	-52.94	361.30	5.75	-47.19
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=C1	REAL300017365818	0	45	-1.0	-55.05	391.28	7.38	-47.67
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=C1F	REAL300017365819	0	42	-1.0	-60.47	365.48	6.33	-54.14
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=C1	REAL300017365820	1	43	-1.0	-58.01	378.75	4.29	-53.72
O=C([O-])C1=CC=NC(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=C1	REAL300017365821	0	41	-1.0	-50.92	365.25	4.73	-46.19
CC1=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C(C(=O)[O-])=NN1	REAL300017365822	0	42	-1.0	-60.47	362.03	4.51	-55.96
O=C([O-])C1=CC(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=C(Cl)O1	REAL300017365823	0	39	-1.0	-49.78	360.55	5.22	-44.56
CCC1=C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300017365824	0	45	-1.0	-60.32	396.67	6.65	-53.67
CCN1C=C(S(=O)(=O)NCCC2=CC=C(OC)N=C2)C=C1C(=O)[O-]	REAL300017365825	0	42	-1.0	-56.22	371.21	2.76	-53.46
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=N1	REAL300017365826	0	47	-1.0	-59.49	397.07	4.64	-54.85
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C=N1	REAL300017365827	0	48	-1.0	-61.44	398.79	5.23	-56.21
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=N1	REAL300017365828	0	45	-1.0	-61.86	386.11	4.45	-57.41
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=N1	REAL300017365829	0	38	-1.0	-51.50	344.79	2.60	-48.90
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300017365830	0	38	-1.0	-55.52	355.70	2.94	-52.58
COC1=CC=C(CCNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300017365831	0	38	-1.0	-55.90	343.20	2.55	-53.35
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=N1	REAL300017365832	0	41	-1.0	-56.71	359.22	3.08	-53.63
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300017365833	0	38	-1.0	-53.45	343.18	2.56	-50.89
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=N1	REAL300017365834	0	44	-1.0	-61.50	374.79	3.99	-57.51
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(CC(=O)[O-])S2)C=N1	REAL300017365835	0	38	-1.0	-51.90	357.78	2.49	-49.41
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=N1	REAL300017365836	0	41	-1.0	-60.22	357.84	3.46	-56.76
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=N1	REAL300017365837	0	35	-1.0	-53.07	336.38	1.57	-51.50
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=CC=C(OC)N=C1	REAL300017365838	0	44	-1.0	-59.79	374.95	4.33	-55.46
COC1=CC=C(CCNS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=N1	REAL300017365839	0	39	-1.0	-55.50	349.84	1.89	-53.61
COC1=CC=C(CCNS(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=N1	REAL300017365840	0	38	-1.0	-52.48	352.31	2.24	-50.24
COC1=CC=C(CCNS(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])C=N1	REAL300017365841	0	41	-1.0	-57.32	357.60	2.92	-54.40
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C=N1	REAL300017365842	0	38	-1.0	-52.24	349.37	2.63	-49.61
COC1=CC=C(CCNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=N1	REAL300017365843	0	41	-1.0	-52.44	352.35	3.29	-49.15
CCC1=CC=C(S(=O)(=O)NCCC2=CC=C(OC)N=C2)C=C1C(=O)[O-]	REAL300017365844	0	44	-1.0	-56.56	377.44	3.74	-52.82
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=N1	REAL300017365845	0	41	-1.0	-52.87	359.20	3.09	-49.78
COC1=CC=C(CCNS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=N1	REAL300017365846	0	38	-1.0	-59.06	352.17	2.50	-56.56
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=N1	REAL300017365847	0	41	-1.0	-54.38	363.00	3.49	-50.89
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=N1	REAL300017365848	0	45	-1.0	-50.58	399.66	1.14	-49.44
COC1=CC=C(CCNS(=O)(=O)C2=CC(C=CC(=O)[O-])=CC=C2OC)C=N1	REAL300017365849	0	46	-1.0	-57.34	395.06	3.66	-53.68
COC1=CC=C(CCNS(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=N1	REAL300017365850	0	45	-1.0	-53.20	385.90	3.15	-50.05
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=N1	REAL300017365851	0	45	-1.0	-59.72	393.66	2.68	-57.04
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=N1	REAL300017365852	0	44	-1.0	-60.31	374.62	3.89	-56.42
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=N1	REAL300017365853	0	42	-1.0	-61.65	366.58	1.49	-60.16
COC1=CC=C(CCNS(=O)(=O)C2=CC(OC)=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300017365854	0	46	-1.0	-59.55	401.54	2.36	-57.19
CCOC1=CC=C(S(=O)(=O)NCCC2=CC=C(OC)N=C2)C=C1C(=O)[O-]	REAL300017365855	0	45	-1.0	-61.79	392.33	3.52	-58.27
COC1=CC=C(CCNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=N1	REAL300017365856	0	35	-1.0	-54.55	334.85	1.57	-52.98
COC1=CC=C(CCNS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=N1	REAL300017365857	0	38	-1.0	-58.01	347.94	1.64	-56.37
COC1=CC=C(CCNS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C=N1	REAL300017365858	0	44	-1.0	-59.78	385.37	2.32	-57.46
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=N1	REAL300017365859	0	45	-1.0	-53.09	394.34	3.54	-49.55
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=N1	REAL300017365860	0	44	-1.0	-56.27	376.75	4.05	-52.22
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=N1	REAL300017365861	0	41	-1.0	-54.49	357.81	3.46	-51.03
COC1=CC=C(CCNS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=N1	REAL300017365862	0	38	-1.0	-50.86	349.60	2.61	-48.25
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=N1	REAL300017365863	0	38	-1.0	-49.48	344.71	2.59	-46.89
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300017365864	0	38	-1.0	-55.51	347.72	2.59	-52.92
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=N1	REAL300017365865	0	41	-1.0	-54.90	371.71	3.86	-51.04
COC1=CC=C(CCNS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300017365866	0	38	-1.0	-54.12	363.90	3.08	-51.04
COC1=CC=C(CCNS(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300017365867	0	38	-1.0	-51.06	361.55	2.99	-48.07
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=N1	REAL300017365868	0	41	-1.0	-51.63	361.69	2.93	-48.70
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=N1	REAL300017365869	0	42	-1.0	-56.86	363.59	2.37	-54.49
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300017365870	0	39	-1.0	-58.56	351.99	0.60	-57.96
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=N1	REAL300017365871	0	42	-1.0	-55.17	374.65	3.84	-51.33
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=N1	REAL300017365872	0	44	-1.0	-52.32	386.76	4.14	-48.18
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300017365873	0	38	-1.0	-51.32	341.41	2.30	-49.02
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=N1	REAL300017365874	0	41	-1.0	-52.87	365.36	3.33	-49.54
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=N1	REAL300017365875	0	42	-1.0	-63.04	370.48	2.62	-60.42
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300017365876	0	42	-1.0	-52.77	374.27	2.83	-49.94
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=N1	REAL300017365877	0	42	-1.0	-55.20	380.48	2.90	-52.30
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=N1	REAL300017365878	0	38	-1.0	-49.72	341.33	2.30	-47.42
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300017365879	0	38	-1.0	-51.82	355.69	2.95	-48.87
COC1=CC=C(CCNS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=N1	REAL300017365880	0	41	-1.0	-57.93	361.04	2.93	-55.00
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C=N1	REAL300017365881	0	46	-1.0	-53.40	406.94	3.96	-49.44
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300017365882	0	38	-1.0	-46.63	347.69	2.36	-44.27
COC1=CC=C(CCNS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300017365883	0	44	-1.0	-59.08	379.99	3.72	-55.36
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=N1	REAL300017365884	0	40	-1.0	-48.67	371.38	3.22	-45.45
COC1=CC=C(CCNS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300017365885	0	41	-1.0	-58.08	368.03	3.20	-54.88
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=N1	REAL300017365886	0	41	-1.0	-50.82	357.48	2.83	-47.99
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=N1	REAL300017365887	0	41	-1.0	-52.06	363.49	3.18	-48.88
COC1=CC=C(CCNS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300017365888	0	41	-1.0	-54.68	374.42	3.51	-51.17
COC1=CC=C(CCNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=N1	REAL300017365889	0	41	-1.0	-48.41	369.83	3.74	-44.67
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=N1	REAL300017365890	0	40	-1.0	-47.52	360.54	4.04	-43.48
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=N1	REAL300017365891	0	35	-1.0	-52.18	335.47	1.68	-50.50
COC1=CC=C(CCNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300017365892	0	41	-1.0	-54.86	365.36	3.32	-51.54
COC1=CC=C(CCNS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300017365893	0	40	-1.0	-65.81	369.76	3.64	-62.17
COC1=CC=C(CCNS(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C=N1	REAL300017365894	0	50	-1.0	-53.78	400.61	5.06	-48.72
COC1=CC=C(CCNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=N1	REAL300017365895	0	40	-1.0	-58.70	366.65	4.33	-54.37
COC1=CC=C(CCNS(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C=N1	REAL300017365896	0	47	-1.0	-53.25	392.70	4.34	-48.91
COC1=CC=C(CCNS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300017365897	0	41	-1.0	-52.70	376.94	3.62	-49.08
COC1=CC=C(CCNS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=N1	REAL300017365898	0	41	-1.0	-52.19	368.13	3.23	-48.96
COC1=CC=C(CCNS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300017365899	0	44	-1.0	-62.87	384.24	4.68	-58.19
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=N1	REAL300017365900	0	38	-1.0	-47.90	352.15	2.38	-45.52
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300017365901	0	42	-1.0	-51.92	363.63	2.38	-49.54
COC1=CC=C(CCNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=N1	REAL300017365902	0	38	-1.0	-58.00	339.62	2.26	-55.74
COC1=CC=C(CCNS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=N1	REAL300017365904	0	42	-1.0	-55.06	364.36	1.54	-53.52
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=N1	REAL300017365905	1	39	-1.0	-56.07	352.64	0.27	-55.80
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=N1	REAL300017365906	0	37	-1.0	-51.05	339.41	0.66	-50.39
COC1=CC=C(CCNS(=O)(=O)C2=C(C)NN=C2C(=O)[O-])C=N1	REAL300017365907	0	38	-1.0	-60.10	336.12	0.45	-59.65
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=N1	REAL300017365908	0	41	-1.0	-61.76	362.34	3.47	-58.29
COC1=CC=C(CCNS(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=N1	REAL300017365909	0	35	-1.0	-49.92	334.68	1.14	-48.78
COC1=CC=C(CCNS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)C=N1	REAL300017365910	0	38	-1.0	-59.67	344.14	2.29	-57.38
COC1=CC=C(CCNS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=N1	REAL300017365911	0	38	-1.0	-54.33	354.02	2.64	-51.69
COC1=CC=C(CCNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=N1	REAL300017365912	0	45	-1.0	-53.23	388.64	4.44	-48.79
CCC1=C(S(=O)(=O)NCCC2=CC=C(OC)N=C2)C=C(C(=O)[O-])O1	REAL300017365913	0	41	-1.0	-57.47	367.50	2.46	-55.01
CCC(C)CC(CO)NS(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300017365914	0	45	-1.0	-54.82	365.80	2.16	-52.66
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300017365915	0	50	-1.0	-54.12	391.46	4.12	-50.00
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017365916	0	51	-1.0	-54.87	395.40	4.86	-50.01
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017365917	0	48	-1.0	-57.58	372.59	4.32	-53.26
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017365918	0	41	-1.0	-47.64	348.76	3.13	-44.51
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017365919	0	41	-1.0	-48.07	352.19	2.56	-45.51
CCC(C)CC(CO)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017365920	0	41	-1.0	-53.90	339.75	2.16	-51.74
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300017365921	0	44	-1.0	-53.51	355.77	2.70	-50.81
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017365922	0	41	-1.0	-49.41	337.97	2.11	-47.30
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300017365923	0	47	-1.0	-54.73	372.21	3.62	-51.11
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017365924	0	41	-1.0	-47.33	354.22	2.13	-45.20
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300017365925	0	44	-1.0	-53.15	343.15	3.22	-49.93
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017365926	0	38	-1.0	-51.23	330.52	1.09	-50.14
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CO)CC(C)CC	REAL300017365927	0	47	-1.0	-54.20	371.71	3.88	-50.32
CCC(C)CC(CO)NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017365928	0	42	-1.0	-54.03	344.50	1.30	-52.73
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300017365929	0	41	-1.0	-46.17	348.67	1.87	-44.30
CCC(C)CC(CO)NS(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-]	REAL300017365930	0	44	-1.0	-51.48	352.42	2.48	-49.00
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017365931	0	41	-1.0	-47.74	357.99	2.80	-44.94
CCC(C)CC(CO)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300017365932	0	44	-1.0	-50.47	332.84	2.30	-48.17
CCC1=CC=C(S(=O)(=O)NC(CO)CC(C)CC)C=C1C(=O)[O-]	REAL300017365933	0	47	-1.0	-49.44	373.91	3.36	-46.08
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300017365934	0	44	-1.0	-46.95	355.69	2.71	-44.24
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017365935	0	41	-1.0	-45.65	355.50	3.01	-42.64
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017365936	0	44	-1.0	-48.63	367.41	2.85	-45.78
CCC(C)CC(CO)NS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300017365937	0	41	-1.0	-52.35	348.94	2.14	-50.21
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300017365938	0	44	-1.0	-47.80	360.57	3.10	-44.70
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017365939	0	41	-1.0	-47.24	355.93	2.66	-44.58
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017365940	0	48	-1.0	-45.96	394.44	0.69	-45.27
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300017365941	0	49	-1.0	-54.28	395.66	3.63	-50.65
CCC(C)CC(CO)NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300017365942	0	48	-1.0	-49.43	386.47	3.11	-46.32
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300017365943	0	48	-1.0	-54.56	387.74	2.19	-52.37
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300017365944	0	47	-1.0	-53.73	371.73	3.51	-50.22
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300017365945	0	45	-1.0	-55.24	363.98	1.12	-54.12
CCC(C)CC(CO)NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300017365946	0	49	-1.0	-53.38	393.05	1.79	-51.59
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017365947	0	52	-1.0	-44.76	414.92	3.16	-41.60
CCOC1=CC=C(S(=O)(=O)NC(CO)CC(C)CC)C=C1C(=O)[O-]	REAL300017365948	0	48	-1.0	-59.96	388.82	3.14	-56.82
CCC(C)CC(CO)NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017365949	0	38	-1.0	-53.32	328.83	1.13	-52.19
CCC(C)CC(CO)NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300017365950	0	41	-1.0	-50.77	335.27	1.64	-49.13
CCC(C)CC(CO)NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017365951	0	47	-1.0	-58.88	379.36	1.80	-57.08
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017365952	0	51	-1.0	-51.87	419.48	3.42	-48.45
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017365953	0	45	-1.0	-48.39	386.79	2.99	-45.40
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300017365954	0	48	-1.0	-48.12	390.89	3.16	-44.96
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300017365955	0	54	-1.0	-49.90	430.88	3.95	-45.95
CCC(C)CC(CO)NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017365956	0	41	-1.0	-45.35	364.89	2.90	-42.45
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017365957	0	41	-1.0	-43.83	367.38	3.22	-40.61
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300017365958	0	47	-1.0	-51.91	373.69	3.67	-48.24
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300017365959	0	44	-1.0	-49.53	345.39	3.20	-46.33
CCC(C)CC(CO)NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017365960	0	41	-1.0	-49.67	358.57	2.64	-47.03
CCC(C)CC(CO)NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017365961	0	41	-1.0	-49.34	343.68	2.10	-47.24
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017365962	0	41	-1.0	-45.78	352.09	2.85	-42.93
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017365963	0	41	-1.0	-49.84	344.25	2.21	-47.63
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300017365964	0	44	-1.0	-48.40	369.27	3.49	-44.91
CCC(C)CC(CO)NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017365965	0	41	-1.0	-48.40	357.92	2.59	-45.81
CCC(C)CC(CO)NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017365966	0	41	-1.0	-45.24	355.55	2.50	-42.74
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300017365967	0	44	-1.0	-49.88	354.76	2.48	-47.40
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017365968	0	41	-1.0	-45.15	361.16	3.51	-41.64
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300017365969	0	45	-1.0	-53.84	364.18	2.34	-51.50
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017365970	0	42	-1.0	-51.19	348.48	0.22	-50.97
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017365971	0	45	-1.0	-50.74	369.42	3.40	-47.34
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017365972	0	41	-1.0	-46.84	343.84	3.08	-43.76
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017365973	0	47	-1.0	-48.41	381.65	3.69	-44.72
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017365974	0	41	-1.0	-47.43	341.20	2.60	-44.83
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017365975	0	44	-1.0	-48.99	360.25	2.89	-46.10
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300017365976	0	45	-1.0	-55.57	367.02	2.25	-53.32
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017365977	0	45	-1.0	-48.78	369.01	2.38	-46.40
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017365978	0	45	-1.0	-50.42	376.98	2.51	-47.91
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017365979	0	41	-1.0	-46.51	342.06	2.16	-44.35
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017365980	0	41	-1.0	-46.21	352.23	2.57	-43.64
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300017365981	0	44	-1.0	-49.82	354.11	2.47	-47.35
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017365982	0	49	-1.0	-49.04	401.73	3.51	-45.53
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017365983	0	41	-1.0	-43.33	340.75	1.90	-41.43
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300017365984	0	47	-1.0	-57.02	373.56	3.22	-53.80
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017365985	0	43	-1.0	-43.87	365.47	2.67	-41.20
CCC(C)CC(CO)NS(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300017365986	0	45	-1.0	-49.34	380.70	2.83	-46.51
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017365987	0	41	-1.0	-45.38	355.96	2.66	-42.72
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300017365988	0	44	-1.0	-57.91	361.97	2.68	-55.23
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300017365989	0	44	-1.0	-49.14	350.55	2.38	-46.76
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300017365990	0	44	-1.0	-48.18	372.18	3.35	-44.83
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300017365991	0	44	-1.0	-54.38	368.35	2.99	-51.39
CCC(C)CC(CO)NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300017365992	0	44	-1.0	-43.83	366.29	3.43	-40.40
CCC(C)CC(CO)NS(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300017365993	0	45	-1.0	-52.99	379.62	2.84	-50.15
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017365994	0	45	-1.0	-46.73	377.32	2.44	-44.29
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017365995	0	43	-1.0	-47.23	343.29	3.61	-43.62
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017365996	0	38	-1.0	-46.07	331.82	1.32	-44.75
CCC(C)CC(CO)NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017365997	0	44	-1.0	-52.81	361.91	2.94	-49.87
CCC(C)CC(CO)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017365998	0	43	-1.0	-56.97	366.24	3.25	-53.72
CCC(C)CC(CO)NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300017365999	0	53	-1.0	-45.43	399.32	4.75	-40.68
CCC(C)CC(CO)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017366000	0	43	-1.0	-57.21	363.08	4.11	-53.10
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCCSC#N	REAL300017412421	0	33	-1.0	-53.79	333.24	5.15	-48.64
CC1=CC(S(=O)(=O)NCCCSC#N)=CC(C(=O)[O-])=C1F	REAL300017412422	0	33	-1.0	-58.65	325.52	4.38	-54.27
CC1=CC(F)=C(S(=O)(=O)NCCCSC#N)C=C1C(=O)[O-]	REAL300017412423	0	33	-1.0	-51.05	314.96	4.02	-47.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCCSC#N)=C1Cl	REAL300017412424	0	33	-1.0	-52.40	320.95	4.37	-48.03
CC1=CC(S(=O)(=O)NCCCSC#N)=CC(C(=O)[O-])=C1Cl	REAL300017412425	0	33	-1.0	-55.19	331.91	4.69	-50.50
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCCSC#N	REAL300017412426	0	33	-1.0	-47.56	326.79	4.99	-42.57
COC1=CC(Cl)=C(S(=O)(=O)NCCCSC#N)C=C1C(=O)[O-]	REAL300017412427	0	34	-1.0	-57.24	329.57	3.84	-53.40
N#CSCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017412428	0	34	-1.0	-49.27	337.56	4.06	-45.21
N#CSCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017412429	0	32	-1.0	-47.02	318.10	5.23	-41.79
N#CSCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017412430	0	27	-1.0	-51.24	292.93	2.86	-48.38
N#CSCCCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017412431	0	33	-1.0	-55.29	322.84	4.51	-50.78
N#CSCCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017412432	0	32	-1.0	-64.82	327.25	4.83	-59.99
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N#CSCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017412445	1	31	-1.0	-54.65	310.02	1.47	-53.18
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N#CSCCCNS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017412449	0	27	-1.0	-49.90	292.15	2.33	-47.57
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N#CSCCCNS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017412452	0	30	-1.0	-52.63	311.49	3.82	-48.81
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CCC1=C(S(=O)(=O)NCCCSC#N)C=C(C(=O)[O-])O1	REAL300017412454	0	33	-1.0	-56.32	324.99	3.65	-52.67
CCC(NS(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1)C(=O)NC	REAL300017412455	0	39	-1.0	-61.69	337.86	1.36	-60.33
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C)C(=O)NC	REAL300017412456	0	44	-1.0	-52.50	356.56	3.53	-48.97
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C(=O)NC	REAL300017412457	0	45	-1.0	-55.07	365.66	4.06	-51.01
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C(=O)NC	REAL300017412458	0	42	-1.0	-55.84	354.57	3.18	-52.66
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(=O)NC	REAL300017412459	0	35	-1.0	-52.70	324.80	1.90	-50.80
CCC(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(=O)NC	REAL300017412460	0	35	-1.0	-49.34	321.57	1.54	-47.80
CCC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(=O)NC	REAL300017412461	0	35	-1.0	-62.14	308.84	1.14	-61.00
CCC(NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C(=O)NC	REAL300017412462	0	38	-1.0	-50.57	324.91	1.69	-48.88
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(=O)NC	REAL300017412463	0	35	-1.0	-53.27	309.10	1.14	-52.13
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C)C(=O)NC	REAL300017412464	0	41	-1.0	-55.08	344.30	2.73	-52.35
CCC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(=O)NC	REAL300017412465	0	35	-1.0	-51.83	328.23	1.21	-50.62
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C(=O)NC	REAL300017412466	0	38	-1.0	-54.54	328.49	2.17	-52.37
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(=O)NC	REAL300017412467	0	32	-1.0	-54.76	306.87	0.27	-54.49
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC)C(=O)NC	REAL300017412468	0	41	-1.0	-53.92	344.53	3.04	-50.88
CCC(NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C(=O)NC	REAL300017412469	0	36	-1.0	-57.70	320.30	0.58	-57.12
CCC(NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1)C(=O)NC	REAL300017412470	0	35	-1.0	-52.26	322.73	0.91	-51.35
CCC(NS(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-])C(=O)NC	REAL300017412471	0	38	-1.0	-52.36	325.40	1.56	-50.80
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C(=O)NC	REAL300017412472	0	35	-1.0	-54.09	328.81	1.73	-52.36
CCC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)C(=O)NC	REAL300017412473	0	38	-1.0	-59.72	321.60	2.05	-57.67
CCC1=CC=C(S(=O)(=O)NC(CC)C(=O)NC)C=C1C(=O)[O-]	REAL300017412474	0	41	-1.0	-50.42	343.31	2.33	-48.09
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)C(=O)NC	REAL300017412475	0	38	-1.0	-52.70	328.05	1.69	-51.01
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)C(=O)NC	REAL300017412476	0	35	-1.0	-50.67	328.14	2.08	-48.59
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C(=O)NC	REAL300017412477	0	38	-1.0	-52.05	343.82	2.02	-50.03
CCC(NS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1)C(=O)NC	REAL300017412478	0	35	-1.0	-53.58	321.13	1.25	-52.33
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C)C(=O)NC	REAL300017412479	0	38	-1.0	-50.00	333.79	2.20	-47.80
CCC(NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)NC	REAL300017412480	0	35	-1.0	-48.54	325.31	1.63	-46.91
CCC(NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)NC	REAL300017412481	0	42	-1.0	-49.42	365.52	-0.27	-49.69
CCC(NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC)C(=O)NC	REAL300017412482	0	43	-1.0	-55.99	372.14	2.41	-53.58
CCC(NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC)C(=O)NC	REAL300017412483	0	42	-1.0	-51.22	362.96	1.88	-49.34
CCC(NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1)C(=O)NC	REAL300017412484	0	42	-1.0	-56.57	359.54	1.27	-55.30
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C)C(=O)NC	REAL300017412485	0	41	-1.0	-54.14	344.33	2.71	-51.43
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C)C(=O)NC	REAL300017412486	0	39	-1.0	-55.41	336.72	0.20	-55.21
CCC(NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1)C(=O)NC	REAL300017412487	0	43	-1.0	-58.77	371.33	1.01	-57.76
CCC(NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)NC	REAL300017412488	0	46	-1.0	-49.10	385.62	2.19	-46.91
CCOC1=CC=C(S(=O)(=O)NC(CC)C(=O)NC)C=C1C(=O)[O-]	REAL300017412489	0	42	-1.0	-68.65	358.19	2.12	-66.53
CCC(NS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C(=O)NC	REAL300017412490	0	32	-1.0	-51.13	303.90	0.51	-50.62
CCC(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)NC	REAL300017412491	0	32	-1.0	-56.73	305.55	0.26	-56.47
CCC(NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C(=O)NC	REAL300017412492	0	35	-1.0	-53.58	315.19	0.40	-53.18
CCC(NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)NC	REAL300017412493	0	41	-1.0	-67.72	355.83	1.05	-66.67
CCC(NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)NC	REAL300017412494	0	45	-1.0	-57.56	388.81	2.39	-55.17
CCC(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)NC	REAL300017412495	0	39	-1.0	-53.98	356.17	1.97	-52.01
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CCC(NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1)C(=O)NC	REAL300017412498	0	48	-1.0	-56.15	407.30	3.13	-53.02
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CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)NC	REAL300017412508	0	35	-1.0	-55.88	313.57	1.18	-54.70
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C(=O)NC	REAL300017412509	0	38	-1.0	-50.40	342.48	2.61	-47.79
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CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C(=O)NC	REAL300017412512	0	38	-1.0	-54.29	339.16	1.90	-52.39
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br)C(=O)NC	REAL300017412513	0	38	-1.0	-50.17	347.80	2.58	-47.59
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)NC	REAL300017412514	0	35	-1.0	-47.36	339.19	2.24	-45.12
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C(=O)NC	REAL300017412515	0	39	-1.0	-54.86	340.67	1.12	-53.74
CCC(NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)NC	REAL300017412516	0	36	-1.0	-52.49	317.85	-0.81	-53.30
CCC(NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)NC	REAL300017412517	0	39	-1.0	-54.20	340.51	2.44	-51.76
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)NC	REAL300017412518	0	35	-1.0	-49.16	329.29	2.02	-47.14
CCC(NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)NC	REAL300017412519	0	41	-1.0	-52.60	352.74	2.73	-49.87
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)NC	REAL300017412520	0	35	-1.0	-54.38	305.37	0.88	-53.50
CCC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)NC	REAL300017412521	0	38	-1.0	-53.14	331.34	1.92	-51.22
CCC(NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1)C(=O)NC	REAL300017412522	0	39	-1.0	-56.66	336.34	1.21	-55.45
CCC(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)NC	REAL300017412523	0	39	-1.0	-52.82	340.14	1.43	-51.39
CCC(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)NC	REAL300017412524	0	39	-1.0	-56.18	346.37	1.49	-54.69
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)NC	REAL300017412525	0	35	-1.0	-48.45	304.72	0.88	-47.57
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)NC	REAL300017412526	0	35	-1.0	-52.01	321.54	1.54	-50.47
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CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl)C(=O)NC	REAL300017412542	0	39	-1.0	-62.68	339.36	1.34	-61.34
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F)C(=O)NC	REAL300017412543	0	39	-1.0	-52.38	357.59	1.58	-50.80
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(=O)NC	REAL300017412544	0	37	-1.0	-52.28	328.09	3.42	-48.86
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(=O)NC	REAL300017412545	0	32	-1.0	-51.93	306.29	0.39	-51.54
CCC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(=O)NC	REAL300017412546	0	38	-1.0	-58.99	335.21	1.97	-57.02
CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(=O)NC	REAL300017412547	0	37	-1.0	-58.13	335.44	2.19	-55.94
CCC(NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C)C(=O)NC	REAL300017412548	0	47	-1.0	-50.84	374.26	3.96	-46.88
CCC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(=O)NC	REAL300017412549	0	37	-1.0	-68.40	331.15	3.89	-64.51
CCC(NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)C(=O)NC	REAL300017412550	0	44	-1.0	-58.89	359.39	3.03	-55.86
CCC(NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1)C(=O)NC	REAL300017412551	0	38	-1.0	-50.46	345.88	2.23	-48.23
CCC(NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1)C(=O)NC	REAL300017412552	0	38	-1.0	-49.95	337.18	1.83	-48.12
CCC(NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C(=O)NC	REAL300017412553	0	41	-1.0	-62.03	353.89	3.32	-58.71
CCC(NS(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC)C(=O)NC	REAL300017412554	0	46	-1.0	-60.35	379.21	1.79	-58.56
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)C(=O)NC	REAL300017412555	0	39	-1.0	-53.73	339.99	1.19	-52.54
CCC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(=O)NC	REAL300017412556	0	35	-1.0	-54.94	305.76	0.88	-54.06
CCC(NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O)C(=O)NC	REAL300017412558	0	39	-1.0	-55.26	341.91	0.32	-54.94
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(=O)NC	REAL300017412559	1	36	-1.0	-62.09	313.87	-0.44	-62.53
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(=O)NC	REAL300017412560	0	34	-1.0	-54.63	306.37	-0.68	-55.31
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C)C(=O)NC	REAL300017412561	0	38	-1.0	-55.04	332.50	2.20	-52.84
CCC(NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(=O)NC	REAL300017412562	0	32	-1.0	-50.12	305.44	0.01	-50.11
CCC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1)C(=O)NC	REAL300017412563	0	39	-1.0	-50.23	352.83	1.70	-48.53
CCC(NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F)C(=O)NC	REAL300017412564	0	35	-1.0	-55.17	307.86	0.89	-54.28
CCC(NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)C(=O)NC	REAL300017412565	0	35	-1.0	-53.02	323.83	1.29	-51.73
CCC(NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C(=O)NC	REAL300017412566	0	42	-1.0	-53.09	358.52	3.08	-50.01
CCC1=C(S(=O)(=O)NC(CC)C(=O)NC)C=C(C(=O)[O-])O1	REAL300017412567	0	38	-1.0	-53.54	336.84	1.22	-52.32
CCN1C=C(S(=O)(=O)NC2(CCCO)CC2)C=C1C(=O)[O-]	REAL300017412568	0	40	-1.0	-50.67	330.33	1.30	-49.37
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412569	0	45	-1.0	-56.34	367.31	3.64	-52.70
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412570	0	46	-1.0	-57.34	357.91	4.06	-53.28
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412571	0	43	-1.0	-58.37	357.87	3.58	-54.79
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412572	0	36	-1.0	-52.25	311.58	1.49	-50.76
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC=C1Cl	REAL300017412573	0	36	-1.0	-54.85	325.16	1.87	-52.98
CC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1C(=O)[O-]	REAL300017412574	0	39	-1.0	-52.00	328.78	2.04	-49.96
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(CCCO)CC2)=C1C	REAL300017412575	0	42	-1.0	-57.63	347.14	3.06	-54.57
O=C([O-])CC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)S1	REAL300017412576	0	36	-1.0	-49.30	324.04	1.13	-48.17
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412577	0	39	-1.0	-58.24	328.76	2.34	-55.90
O=C([O-])C1=CSC(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412578	0	33	-1.0	-53.73	302.86	0.24	-53.49
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412579	0	42	-1.0	-56.38	331.16	3.22	-53.16
CN1C=C(S(=O)(=O)NC2(CCCO)CC2)C=C1C(=O)[O-]	REAL300017412580	0	37	-1.0	-50.43	311.30	0.16	-50.27
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412581	0	36	-1.0	-48.96	318.94	0.90	-48.06
CC1=C(C(=O)[O-])C(S(=O)(=O)NC2(CCCO)CC2)=C(C)O1	REAL300017412582	0	39	-1.0	-59.98	325.48	1.57	-58.41
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=C(Cl)C=C1F	REAL300017412583	0	36	-1.0	-52.95	311.50	1.66	-51.29
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412584	0	39	-1.0	-53.02	325.76	2.42	-50.60
CCC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1C(=O)[O-]	REAL300017412585	0	42	-1.0	-56.64	346.90	2.65	-53.99
CC1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC=C1C(=O)[O-]	REAL300017412586	0	39	-1.0	-49.67	328.99	2.05	-47.62
O=C([O-])C1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C(Br)=C1	REAL300017412587	0	36	-1.0	-46.82	331.36	2.40	-44.42
O=C([O-])C1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1C(F)(F)F	REAL300017412588	0	39	-1.0	-48.60	342.76	2.29	-46.31
CC1=C(S(=O)(=O)NC2(CCCO)CC2)C=C(C(=O)[O-])S1	REAL300017412589	0	36	-1.0	-54.55	322.68	1.79	-52.76
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412590	0	39	-1.0	-49.80	332.58	2.77	-47.03
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC=C1Br	REAL300017412591	0	36	-1.0	-53.95	328.90	1.97	-51.98
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1	REAL300017412592	0	43	-1.0	-46.44	366.52	-0.19	-46.63
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412593	0	44	-1.0	-58.96	357.20	2.92	-56.04
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412594	0	43	-1.0	-56.12	353.09	2.11	-54.01
COC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1CC(=O)[O-]	REAL300017412595	0	43	-1.0	-55.97	360.51	1.37	-54.60
CC1=CC(C)=C(S(=O)(=O)NC2(CCCO)CC2)C=C1C(=O)[O-]	REAL300017412596	0	42	-1.0	-56.49	346.68	3.14	-53.35
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412597	0	40	-1.0	-58.08	326.03	0.44	-57.64
COC1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC(C(=O)[O-])=C1OC	REAL300017412598	0	44	-1.0	-59.32	371.12	1.55	-57.77
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)NC3(CCCO)CC3)C=C2)C1	REAL300017412599	0	47	-1.0	-44.57	380.71	1.94	-42.63
CCOC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1C(=O)[O-]	REAL300017412600	0	43	-1.0	-58.45	361.79	2.45	-56.00
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=C(Br)S1	REAL300017412601	0	33	-1.0	-50.62	307.12	0.78	-49.84
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=CS1	REAL300017412602	0	33	-1.0	-54.84	302.31	0.35	-54.49
CC1=C(S(=O)(=O)NC2(CCCO)CC2)C=C(C(=O)[O-])O1	REAL300017412603	0	36	-1.0	-55.16	305.91	0.61	-54.55
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC2=C1OCCO2	REAL300017412604	0	42	-1.0	-57.81	354.01	1.30	-56.51
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1F	REAL300017412605	0	46	-1.0	-53.38	390.21	2.50	-50.88
O=C([O-])COC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1Cl	REAL300017412606	0	40	-1.0	-49.23	359.75	2.31	-46.92
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1Cl	REAL300017412607	0	46	-1.0	-51.99	399.62	2.95	-49.04
CC1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC=C1OCC(=O)[O-]	REAL300017412608	0	43	-1.0	-49.55	361.22	2.22	-47.33
CC1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC=C1OCCCC(=O)[O-]	REAL300017412609	0	49	-1.0	-50.58	406.25	3.40	-47.18
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC(Cl)=C1Cl	REAL300017412610	0	36	-1.0	-50.30	340.45	2.60	-47.70
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412611	0	36	-1.0	-47.75	326.81	1.93	-45.82
O=C([O-])C1=CC(Br)=C(S(=O)(=O)NC2(CCCO)CC2)S1	REAL300017412612	0	33	-1.0	-45.61	321.12	1.31	-44.30
CC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C(C)=C1C(=O)[O-]	REAL300017412613	0	42	-1.0	-54.04	335.95	3.00	-51.04
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412614	0	39	-1.0	-51.29	329.30	2.61	-48.68
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412615	0	36	-1.0	-48.76	333.12	2.14	-46.62
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412616	0	36	-1.0	-48.44	318.24	1.60	-46.84
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412617	0	39	-1.0	-47.90	347.21	3.01	-44.89
O=C([O-])C1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C(Cl)=C1	REAL300017412618	0	36	-1.0	-46.90	311.64	1.48	-45.42
O=C([O-])C1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1F	REAL300017412619	0	36	-1.0	-51.75	317.17	1.51	-50.24
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412620	0	39	-1.0	-50.33	341.32	3.15	-47.18
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC(Cl)=C1F	REAL300017412621	0	36	-1.0	-53.14	333.47	2.27	-50.87
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC(F)=C1Cl	REAL300017412622	0	36	-1.0	-50.01	331.12	2.19	-47.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(CCCO)CC2)=C1F	REAL300017412623	0	39	-1.0	-52.89	328.17	1.86	-51.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(CCCO)CC2)=C1Br	REAL300017412624	0	39	-1.0	-50.61	349.25	2.97	-47.64
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=C(Cl)C=C1Cl	REAL300017412625	0	36	-1.0	-49.81	324.17	1.86	-47.95
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412626	0	40	-1.0	-56.12	330.17	1.32	-54.80
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC=C1O	REAL300017412627	0	37	-1.0	-58.22	321.45	-0.48	-58.70
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1	REAL300017412628	0	40	-1.0	-51.14	341.52	2.53	-48.61
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412629	0	36	-1.0	-49.31	331.54	2.36	-46.95
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1	REAL300017412630	0	42	-1.0	-49.31	353.62	2.83	-46.48
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412631	0	36	-1.0	-52.16	308.01	1.24	-50.92
O=C([O-])CC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1	REAL300017412632	0	39	-1.0	-50.49	332.22	2.02	-48.47
COC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1C(=O)[O-]	REAL300017412633	0	40	-1.0	-62.89	339.93	1.54	-61.35
O=C([O-])COC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1	REAL300017412634	0	40	-1.0	-49.49	341.14	1.51	-47.98
O=C([O-])COC1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1F	REAL300017412635	0	40	-1.0	-51.18	347.35	1.57	-49.61
O=C([O-])C1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C(F)=C1	REAL300017412636	0	36	-1.0	-46.56	307.97	1.25	-45.31
O=C([O-])C1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1Cl	REAL300017412637	0	36	-1.0	-48.29	325.14	1.89	-46.40
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412638	0	39	-1.0	-52.58	325.05	2.01	-50.57
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1	REAL300017412639	0	44	-1.0	-49.57	373.80	2.65	-46.92
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412640	0	36	-1.0	-46.24	314.24	1.30	-44.94
CC1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC(C(=O)[O-])=C1C	REAL300017412641	0	42	-1.0	-59.17	350.13	2.68	-56.49
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412642	0	38	-1.0	-46.71	340.04	2.20	-44.51
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=C(Br)C=C1F	REAL300017412643	0	36	-1.0	-50.22	322.74	2.36	-47.86
COC1=CC(S(=O)(=O)NC2(CCCO)CC2)=C(Cl)C=C1C(=O)[O-]	REAL300017412644	0	40	-1.0	-52.68	334.23	1.69	-50.99
O=C([O-])C1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C=C1Br	REAL300017412645	0	36	-1.0	-47.51	328.88	1.98	-45.53
CC1=C(Br)C=C(S(=O)(=O)NC2(CCCO)CC2)C=C1C(=O)[O-]	REAL300017412646	0	39	-1.0	-50.55	346.36	2.35	-48.20
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412647	0	39	-1.0	-50.48	345.40	3.24	-47.24
CC1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC(C(=O)[O-])=C1F	REAL300017412648	0	39	-1.0	-54.86	334.90	1.89	-52.97
CC1=CC(F)=C(S(=O)(=O)NC2(CCCO)CC2)C=C1C(=O)[O-]	REAL300017412649	0	39	-1.0	-50.97	333.77	1.99	-48.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(CCCO)CC2)=C1Cl	REAL300017412650	0	39	-1.0	-53.28	330.14	2.04	-51.24
CC1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC(C(=O)[O-])=C1Cl	REAL300017412651	0	39	-1.0	-54.64	343.23	2.50	-52.14
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412652	0	39	-1.0	-47.87	342.64	2.91	-44.96
COC1=CC(Cl)=C(S(=O)(=O)NC2(CCCO)CC2)C=C1C(=O)[O-]	REAL300017412653	0	40	-1.0	-58.35	334.24	1.70	-56.65
O=C([O-])C1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C(OC(F)(F)F)=C1	REAL300017412654	0	40	-1.0	-47.03	344.63	1.93	-45.10
O=C([O-])C1=CC=C(S(=O)(=O)NC2(CCCO)CC2)C([N+](=O)[O-])=C1	REAL300017412655	0	38	-1.0	-45.48	331.99	3.07	-42.41
O=C([O-])C1=CC=C(S(=O)(=O)NC2(CCCO)CC2)S1	REAL300017412656	0	33	-1.0	-49.06	302.08	0.34	-48.72
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412657	0	39	-1.0	-46.03	334.52	2.20	-43.83
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC=C1[N+](=O)[O-]	REAL300017412658	0	38	-1.0	-58.99	336.76	2.54	-56.45
CC1=CC(C)=C(S(=O)(=O)NC2(CCCO)CC2)C(C)=C1CC(=O)[O-]	REAL300017412659	0	48	-1.0	-54.91	375.33	4.05	-50.86
O=C([O-])C1=CC=CC(S(=O)(=O)NC2(CCCO)CC2)=C1[N+](=O)[O-]	REAL300017412660	0	38	-1.0	-59.59	339.43	3.68	-55.91
CC(C)(C)C1=C(S(=O)(=O)NC2(CCCO)CC2)C=C(C(=O)[O-])S1	REAL300017412661	0	45	-1.0	-49.94	352.70	3.31	-46.63
CC1=C(Cl)C=C(S(=O)(=O)NC2(CCCO)CC2)C=C1C(=O)[O-]	REAL300017412662	0	39	-1.0	-50.51	342.33	2.28	-48.23
CC1=C(F)C=C(S(=O)(=O)NC2(CCCO)CC2)C=C1C(=O)[O-]	REAL300017412663	0	39	-1.0	-49.93	333.60	1.87	-48.06
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC2=CC=CC=C21	REAL300017412664	0	42	-1.0	-57.39	353.67	3.86	-53.53
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC2(CCCO)CC2)=C1OC	REAL300017412665	0	47	-1.0	-49.55	396.59	2.08	-47.47
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412666	0	40	-1.0	-50.35	329.51	1.49	-48.86
O=C([O-])C1=CC=CC(S(=O)(=O)NC2(CCCO)CC2)=C1F	REAL300017412667	0	36	-1.0	-52.51	306.19	1.19	-51.32
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412669	0	40	-1.0	-53.40	326.30	1.42	-51.98
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412670	1	37	-1.0	-54.91	313.81	-0.65	-55.56
O=C([O-])C1=CC=NC(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412671	0	35	-1.0	-50.52	311.61	-0.23	-50.75
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CCCO)CC1	REAL300017412672	0	39	-1.0	-58.10	321.78	2.43	-55.67
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=C(Cl)O1	REAL300017412673	0	33	-1.0	-49.45	295.34	0.24	-49.21
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC=C1OC(F)(F)F	REAL300017412674	0	40	-1.0	-55.28	356.43	2.02	-53.26
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NC2(CCCO)CC2)=C1F	REAL300017412675	0	36	-1.0	-54.59	306.44	1.39	-53.20
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC(F)=C1F	REAL300017412676	0	36	-1.0	-53.02	323.60	1.83	-51.19
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3(CCCO)CC3)C=C2C1	REAL300017412677	0	43	-1.0	-49.19	357.76	3.62	-45.57
CCC1=C(S(=O)(=O)NC2(CCCO)CC2)C=C(C(=O)[O-])O1	REAL300017412678	0	39	-1.0	-54.85	324.93	1.39	-53.46
CCN1C=C(S(=O)(=O)NCCC(C)(C)CC)C=C1C(=O)[O-]	REAL300017412679	0	44	-1.0	-52.15	353.74	5.22	-46.93
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300017412680	0	49	-1.0	-54.51	379.62	7.13	-47.38
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017412681	0	50	-1.0	-56.15	381.29	7.70	-48.45
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017412682	0	47	-1.0	-56.57	368.61	6.92	-49.65
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017412683	0	40	-1.0	-47.88	327.29	5.05	-42.83
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017412684	0	40	-1.0	-49.91	338.21	5.40	-44.51
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300017412685	0	43	-1.0	-51.51	341.73	5.54	-45.97
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300017412686	0	46	-1.0	-56.10	357.24	6.44	-49.66
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017412687	0	40	-1.0	-47.18	340.27	4.95	-42.23
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300017412688	0	43	-1.0	-55.01	340.35	5.93	-49.08
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017412689	0	37	-1.0	-48.64	318.88	4.03	-44.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC(C)(C)CC	REAL300017412690	0	46	-1.0	-54.63	357.04	6.83	-47.80
CCC(C)(C)CCNS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017412691	0	41	-1.0	-51.46	332.35	4.36	-47.10
CCC(C)(C)CCNS(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300017412692	0	40	-1.0	-46.95	334.81	4.70	-42.25
CCC(C)(C)CCNS(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-]	REAL300017412693	0	43	-1.0	-54.76	340.10	5.39	-49.37
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017412694	0	40	-1.0	-48.27	331.81	5.07	-43.20
CCC(C)(C)CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300017412695	0	43	-1.0	-48.10	335.61	5.70	-42.40
CCC1=CC=C(S(=O)(=O)NCCC(C)(C)CC)C=C1C(=O)[O-]	REAL300017412696	0	46	-1.0	-51.38	359.94	6.20	-45.18
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300017412697	0	43	-1.0	-47.34	341.71	5.55	-41.79
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017412698	0	40	-1.0	-44.17	342.09	5.77	-38.40
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017412699	0	43	-1.0	-46.62	355.82	5.82	-40.80
CCC(C)(C)CCNS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300017412700	0	40	-1.0	-53.63	334.59	4.99	-48.64
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300017412701	0	43	-1.0	-48.86	345.46	5.95	-42.91
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017412702	0	40	-1.0	-49.10	341.95	5.50	-43.60
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017412703	0	47	-1.0	-44.92	382.15	3.60	-41.32
CCC(C)(C)CCNS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300017412704	0	48	-1.0	-54.48	377.56	6.13	-48.35
CCC(C)(C)CCNS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300017412705	0	47	-1.0	-50.90	368.39	5.62	-45.28
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300017412706	0	47	-1.0	-51.93	376.17	5.14	-46.79
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300017412707	0	46	-1.0	-54.79	356.22	6.46	-48.33
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300017412708	0	44	-1.0	-56.44	349.09	3.97	-52.47
CCC(C)(C)CCNS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300017412709	0	48	-1.0	-53.73	384.01	4.82	-48.91
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017412710	0	51	-1.0	-43.27	402.54	6.07	-37.20
CCOC1=CC=C(S(=O)(=O)NCCC(C)(C)CC)C=C1C(=O)[O-]	REAL300017412711	0	47	-1.0	-58.06	374.84	5.98	-52.08
CCC(C)(C)CCNS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017412712	0	37	-1.0	-46.28	321.97	4.24	-42.04
CCC(C)(C)CCNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017412713	0	37	-1.0	-50.36	317.36	4.03	-46.33
CCC(C)(C)CCNS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300017412714	0	40	-1.0	-52.40	330.44	4.11	-48.29
CCC(C)(C)CCNS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017412715	0	46	-1.0	-55.76	367.86	4.78	-50.98
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017412716	0	50	-1.0	-51.11	405.45	6.26	-44.85
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017412717	0	44	-1.0	-47.98	372.81	5.83	-42.15
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300017412718	0	50	-1.0	-49.90	415.25	6.74	-43.16
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300017412719	0	47	-1.0	-47.89	376.85	6.00	-41.89
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300017412720	0	53	-1.0	-48.90	419.30	6.93	-41.97
CCC(C)(C)CCNS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017412721	0	40	-1.0	-45.33	353.37	5.86	-39.47
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017412722	0	40	-1.0	-43.60	342.44	5.51	-38.09
CCC(C)(C)CCNS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017412723	0	37	-1.0	-43.37	333.95	4.54	-38.83
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300017412724	0	46	-1.0	-51.73	358.95	6.52	-45.21
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300017412725	0	43	-1.0	-48.82	340.29	5.93	-42.89
CCC(C)(C)CCNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017412726	0	40	-1.0	-46.53	346.99	5.62	-40.91
CCC(C)(C)CCNS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017412727	0	40	-1.0	-46.28	332.10	5.07	-41.21
CCC(C)(C)CCNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300017412728	0	43	-1.0	-43.54	356.10	6.40	-37.14
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017412729	0	40	-1.0	-44.50	327.27	5.04	-39.46
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017412730	0	40	-1.0	-49.78	330.21	5.05	-44.73
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300017412731	0	43	-1.0	-49.45	354.14	6.34	-43.11
CCC(C)(C)CCNS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017412732	0	40	-1.0	-48.12	346.40	5.54	-42.58
CCC(C)(C)CCNS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017412733	0	40	-1.0	-45.19	344.05	5.45	-39.74
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300017412734	0	43	-1.0	-48.02	344.19	5.40	-42.62
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300017412735	0	43	-1.0	-48.53	360.25	6.34	-42.19
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017412736	0	40	-1.0	-45.53	339.83	5.43	-40.10
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300017412737	0	44	-1.0	-54.49	346.09	4.84	-49.65
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017412738	0	41	-1.0	-53.13	334.51	3.06	-50.07
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017412739	0	44	-1.0	-49.66	357.14	6.30	-43.36
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017412740	0	40	-1.0	-47.62	342.10	5.78	-41.84
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017412741	0	46	-1.0	-47.27	369.26	6.60	-40.67
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017412742	0	40	-1.0	-47.60	323.91	4.77	-42.83
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017412743	0	43	-1.0	-48.05	347.86	5.79	-42.26
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300017412744	0	44	-1.0	-57.62	352.99	5.08	-52.54
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017412745	0	44	-1.0	-47.57	356.79	5.29	-42.28
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017412746	0	44	-1.0	-49.92	363.00	5.36	-44.56
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017412747	0	40	-1.0	-44.45	323.88	4.77	-39.68
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017412748	0	40	-1.0	-46.24	338.19	5.41	-40.83
CCC(C)(C)CCNS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300017412749	0	43	-1.0	-52.85	343.49	5.39	-47.46
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017412750	0	48	-1.0	-47.96	389.43	6.42	-41.54
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017412751	0	40	-1.0	-42.30	330.19	4.83	-37.47
CCC(C)(C)CCNS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300017412752	0	46	-1.0	-54.00	363.19	6.21	-47.79
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017412753	0	42	-1.0	-43.56	353.89	5.68	-37.88
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300017412754	0	40	-1.0	-48.13	346.62	5.80	-42.33
CCC(C)(C)CCNS(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300017412755	0	44	-1.0	-49.50	354.52	5.11	-44.39
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017412756	0	40	-1.0	-45.41	341.93	5.51	-39.90
CCC(C)(C)CCNS(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300017412757	0	43	-1.0	-47.20	363.54	6.17	-41.03
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300017412758	0	43	-1.0	-49.57	358.28	6.43	-43.14
CCC(C)(C)CCNS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300017412759	0	43	-1.0	-54.01	350.54	5.66	-48.35
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300017412760	0	43	-1.0	-47.31	339.99	5.30	-42.01
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300017412761	0	43	-1.0	-48.64	345.99	5.63	-43.01
CCC(C)(C)CCNS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300017412762	0	43	-1.0	-50.69	356.93	5.97	-44.72
CCC(C)(C)CCNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300017412763	0	43	-1.0	-43.53	351.53	6.30	-37.23
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300017412764	0	44	-1.0	-53.41	354.59	5.11	-48.30
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017412765	0	44	-1.0	-45.09	359.57	5.27	-39.82
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017412766	0	42	-1.0	-42.51	343.13	6.51	-36.00
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017412767	0	37	-1.0	-46.77	317.95	4.14	-42.63
CCC(C)(C)CCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017412768	0	43	-1.0	-51.04	347.87	5.78	-45.26
CCC(C)(C)CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017412769	0	42	-1.0	-59.47	352.27	6.11	-53.36
CCC(C)(C)CCNS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300017412770	0	52	-1.0	-47.96	383.10	7.53	-40.43
CCC(C)(C)CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017412771	0	42	-1.0	-55.23	349.27	6.81	-48.42
CCC(C)(C)CCNS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017412772	0	49	-1.0	-48.49	375.97	6.74	-41.75
CCC(C)(C)CCNS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300017412773	0	43	-1.0	-47.15	359.44	6.08	-41.07
CCC(C)(C)CCNS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300017412774	0	43	-1.0	-46.49	350.63	5.69	-40.80
CCC(C)(C)CCNS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017412775	0	46	-1.0	-57.51	366.74	7.14	-50.37
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017412776	0	40	-1.0	-43.15	334.63	4.85	-38.30
CCC(C)(C)CCNS(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC	REAL300017412777	0	51	-1.0	-49.20	405.21	5.61	-43.59
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300017412778	0	44	-1.0	-47.59	346.12	4.85	-42.74
CCC(C)(C)CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017412779	0	40	-1.0	-52.92	322.04	4.73	-48.19
CCC(C)(C)CCNS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300017412781	0	44	-1.0	-49.40	346.86	4.01	-45.39
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017412782	1	41	-1.0	-51.08	335.05	2.76	-48.32
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017412783	0	39	-1.0	-49.11	319.15	3.34	-45.77
CCC(C)(C)CCNS(=O)(=O)C1=C(C)NN=C1C(=O)[O-]	REAL300017412784	0	40	-1.0	-58.26	316.67	2.82	-55.44
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300017412785	0	43	-1.0	-56.15	344.84	5.96	-50.19
CCC(C)(C)CCNS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017412786	0	37	-1.0	-45.32	317.17	3.62	-41.70
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017412787	0	44	-1.0	-50.58	369.48	5.56	-45.02
CCC(C)(C)CCNS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017412788	0	40	-1.0	-54.18	326.60	4.76	-49.42
CCC(C)(C)CCNS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017412789	0	40	-1.0	-48.29	336.51	5.10	-43.19
CCC(C)(C)CCNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017412790	0	47	-1.0	-48.49	371.13	6.90	-41.59
CCC1=C(S(=O)(=O)NCCC(C)(C)CC)C=C(C(=O)[O-])O1	REAL300017412791	0	43	-1.0	-51.94	349.84	4.91	-47.03
CCN1C=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300017412792	0	41	-1.0	-57.08	372.72	3.31	-53.77
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C1=CC=CC(C#N)=C1	REAL300017412793	0	46	-1.0	-59.27	398.50	5.20	-54.07
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=C1	REAL300017412794	0	44	-1.0	-60.89	387.63	4.99	-55.90
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=C1	REAL300017412795	0	37	-1.0	-54.00	346.25	3.16	-50.84
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300017412796	0	37	-1.0	-54.14	357.15	3.50	-50.64
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300017412797	0	37	-1.0	-59.56	344.64	3.10	-56.46
CC1=CC=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300017412798	0	40	-1.0	-55.08	360.69	3.63	-51.45
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300017412799	0	37	-1.0	-55.34	344.64	3.11	-52.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)=C1C	REAL300017412800	0	43	-1.0	-60.16	376.23	4.54	-55.62
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(CC(=O)[O-])S2)=C1	REAL300017412801	0	37	-1.0	-52.57	359.28	3.04	-49.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C1=CC=CC(C#N)=C1	REAL300017412802	0	40	-1.0	-58.94	359.34	4.01	-54.93
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300017412803	0	34	-1.0	-53.94	337.89	2.12	-51.82
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C1=CC=CC(C#N)=C1	REAL300017412804	0	43	-1.0	-58.46	376.41	4.90	-53.56
CN1C=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300017412805	0	38	-1.0	-58.82	351.28	2.45	-56.37
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)=C1	REAL300017412806	0	37	-1.0	-53.03	353.76	2.79	-50.24
CC1=C(C(=O)[O-])C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)=C(C)O1	REAL300017412807	0	40	-1.0	-55.63	359.11	3.47	-52.16
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300017412808	0	37	-1.0	-54.23	350.88	3.18	-51.05
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC(O)C1=CC=CC(C#N)=C1	REAL300017412809	0	40	-1.0	-51.72	354.56	3.79	-47.93
CCC1=CC=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300017412810	0	43	-1.0	-54.83	378.87	4.29	-50.54
CC1=CC(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)=CC=C1C(=O)[O-]	REAL300017412811	0	40	-1.0	-51.96	360.73	3.63	-48.33
CC1=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C=C(C(=O)[O-])S1	REAL300017412812	0	37	-1.0	-58.15	353.17	3.08	-55.07
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C1=CC=CC(C#N)=C1	REAL300017412813	0	40	-1.0	-53.60	364.53	4.03	-49.57
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCC(O)C1=CC=CC(C#N)=C1	REAL300017412814	0	44	-1.0	-55.66	387.41	3.71	-51.95
COC1=CC=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C=C1CC(=O)[O-]	REAL300017412815	0	44	-1.0	-59.57	395.09	3.24	-56.33
CC1=CC(C)=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300017412816	0	43	-1.0	-69.67	389.52	3.11	-66.56
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C1=CC=CC(C#N)=C1	REAL300017412817	0	41	-1.0	-60.45	368.07	2.06	-58.39
CCOC1=CC=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300017412818	0	44	-1.0	-65.50	393.73	4.09	-61.41
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300017412819	0	34	-1.0	-57.84	336.30	2.13	-55.71
CC1=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C=C(C(=O)[O-])O1	REAL300017412820	0	37	-1.0	-57.68	349.39	2.21	-55.47
CC1=CC(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)=CC=C1OCC(=O)[O-]	REAL300017412821	0	44	-1.0	-53.18	395.87	4.07	-49.11
CC1=CC=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C(C)=C1C(=O)[O-]	REAL300017412822	0	43	-1.0	-59.48	378.19	4.63	-54.85
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC(O)C1=CC=CC(C#N)=C1	REAL300017412823	0	40	-1.0	-53.31	359.32	4.00	-49.31
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=C1	REAL300017412824	0	37	-1.0	-51.70	351.12	3.15	-48.55
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=C1	REAL300017412825	0	37	-1.0	-48.57	346.22	3.15	-45.42
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300017412826	0	37	-1.0	-57.78	349.16	3.14	-54.64
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C1=CC=CC(C#N)=C1	REAL300017412827	0	40	-1.0	-54.12	373.21	4.42	-49.70
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=C1	REAL300017412828	0	37	-1.0	-51.71	365.42	3.62	-48.09
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300017412829	0	37	-1.0	-48.73	363.07	3.53	-45.20
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)=C1F	REAL300017412830	0	40	-1.0	-53.88	363.20	3.49	-50.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C1=CC=CC(C#N)=C1	REAL300017412831	0	41	-1.0	-60.62	365.09	2.93	-57.69
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300017412832	0	38	-1.0	-57.18	353.44	1.15	-56.03
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300017412833	0	41	-1.0	-57.05	376.10	4.40	-52.65
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)=C1	REAL300017412834	0	43	-1.0	-54.34	388.22	4.69	-49.65
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300017412835	0	37	-1.0	-53.70	342.87	2.85	-50.85
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300017412836	0	40	-1.0	-54.52	366.82	3.89	-50.63
COC1=CC=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300017412837	0	41	-1.0	-61.38	371.92	3.17	-58.21
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300017412838	0	41	-1.0	-54.97	375.72	3.39	-51.58
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=C1	REAL300017412839	0	41	-1.0	-57.87	381.93	3.45	-54.42
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300017412840	0	37	-1.0	-48.54	342.84	2.86	-45.68
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300017412841	0	37	-1.0	-51.16	357.20	3.49	-47.67
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)=C1	REAL300017412842	0	40	-1.0	-52.88	362.55	3.49	-49.39
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300017412843	0	37	-1.0	-47.57	349.20	2.92	-44.65
CC1=CC(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)=CC(C(=O)[O-])=C1C	REAL300017412844	0	43	-1.0	-56.06	381.51	4.25	-51.81
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300017412845	0	39	-1.0	-47.51	372.90	3.75	-43.76
CC1=CC(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)=CC(C(=O)[O-])=C1F	REAL300017412846	0	40	-1.0	-59.44	369.55	3.74	-55.70
CC1=CC(F)=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C=C1C(=O)[O-]	REAL300017412847	0	40	-1.0	-53.09	358.99	3.39	-49.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)=C1Cl	REAL300017412848	0	40	-1.0	-54.49	365.03	3.73	-50.76
CC1=CC(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)=CC(C(=O)[O-])=C1Cl	REAL300017412849	0	40	-1.0	-56.10	375.94	4.04	-52.06
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC(O)C1=CC=CC(C#N)=C1	REAL300017412850	0	40	-1.0	-47.57	371.28	4.30	-43.27
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300017412851	0	39	-1.0	-46.93	362.24	4.59	-42.34
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300017412852	0	34	-1.0	-52.98	336.91	2.24	-50.74
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300017412853	0	40	-1.0	-57.55	366.81	3.88	-53.67
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300017412854	0	39	-1.0	-64.53	371.19	4.19	-60.34
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300017412855	0	39	-1.0	-63.03	368.21	4.93	-58.10
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300017412858	0	43	-1.0	-59.64	385.74	5.22	-54.42
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC(O)C1=CC=CC(C#N)=C1	REAL300017412859	0	41	-1.0	-52.21	365.16	2.93	-49.28
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300017412860	0	37	-1.0	-55.79	341.00	2.82	-52.97
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)=C1	REAL300017412862	0	41	-1.0	-50.00	365.89	2.09	-47.91
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300017412863	1	38	-1.0	-55.37	354.15	0.82	-54.55
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300017412864	0	36	-1.0	-51.91	340.92	1.20	-50.71
CC1=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C(C(=O)[O-])=NN1	REAL300017412865	0	37	-1.0	-63.08	337.64	0.99	-62.09
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C1=CC=CC(C#N)=C1	REAL300017412866	0	40	-1.0	-60.57	363.78	4.05	-56.52
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)=C1	REAL300017412867	0	34	-1.0	-50.26	336.23	1.69	-48.57
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)=C1	REAL300017412868	0	37	-1.0	-57.52	345.60	2.85	-54.67
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)=C1	REAL300017412869	0	37	-1.0	-51.95	355.54	3.18	-48.77
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300017412870	0	44	-1.0	-56.36	390.08	4.99	-51.37
CCC1=C(S(=O)(=O)NCC(O)C2=CC=CC(C#N)=C2)C=C(C(=O)[O-])O1	REAL300017412871	0	40	-1.0	-56.10	369.00	3.01	-53.09
CCSC1=CC=C(CNS(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)C=C1	REAL300017412872	0	43	-1.0	-54.35	384.35	7.15	-47.20
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1	REAL300017412873	0	48	-1.0	-54.48	410.16	9.04	-45.44
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C=C1	REAL300017412874	0	46	-1.0	-56.55	399.26	8.85	-47.70
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C=C1	REAL300017412875	0	39	-1.0	-49.26	357.93	7.00	-42.26
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300017412876	0	39	-1.0	-52.45	368.83	7.33	-45.12
CCSC1=CC=C(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300017412877	0	39	-1.0	-54.37	356.33	6.93	-47.44
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300017412878	0	42	-1.0	-53.73	372.37	7.47	-46.26
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300017412879	0	39	-1.0	-49.88	356.31	6.94	-42.94
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300017412880	0	45	-1.0	-56.16	387.93	8.37	-47.79
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])S2)C=C1	REAL300017412881	0	39	-1.0	-48.17	370.92	6.88	-41.29
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300017412882	0	42	-1.0	-55.12	370.96	7.84	-47.28
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300017412883	0	36	-1.0	-50.65	349.51	5.96	-44.69
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)C=C1	REAL300017412884	0	45	-1.0	-54.71	388.10	8.72	-45.99
CCSC1=CC=C(CNS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C=C1	REAL300017412885	0	40	-1.0	-53.55	362.98	6.28	-47.27
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300017412886	0	39	-1.0	-47.99	365.45	6.62	-41.37
CCSC1=CC=C(CNS(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])C=C1	REAL300017412887	0	42	-1.0	-53.33	370.73	7.31	-46.02
CCSC1=CC=C(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300017412888	0	42	-1.0	-50.20	365.52	7.68	-42.52
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)C=C1	REAL300017412889	0	45	-1.0	-53.66	390.26	8.12	-45.54
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300017412890	0	42	-1.0	-49.03	372.33	7.48	-41.55
CCSC1=CC=C(CNS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300017412891	0	39	-1.0	-53.89	365.23	6.89	-47.00
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C=C1	REAL300017412892	0	42	-1.0	-49.25	376.13	7.88	-41.37
CCSC1=CC=C(CNS(=O)(=O)C2=CC(CC(=O)[O-])=CC=C2OC)C=C1	REAL300017412893	0	46	-1.0	-52.15	399.03	7.54	-44.61
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(OC)C(CC(=O)[O-])=C2)C=C1	REAL300017412894	0	46	-1.0	-55.52	406.79	7.07	-48.45
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C=C1	REAL300017412895	0	45	-1.0	-54.75	386.91	8.38	-46.37
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C=C1	REAL300017412896	0	43	-1.0	-56.62	379.72	5.89	-50.73
CCOC1=CC=C(S(=O)(=O)NCC2=CC=C(SCC)C=C2)C=C1C(=O)[O-]	REAL300017412897	0	46	-1.0	-58.08	405.46	7.91	-50.17
CCSC1=CC=C(CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300017412898	0	36	-1.0	-50.71	347.98	5.97	-44.74
CCSC1=CC=C(CNS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300017412899	0	39	-1.0	-52.82	361.03	6.05	-46.77
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C=C1	REAL300017412900	0	46	-1.0	-49.83	407.49	7.93	-41.90
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C=C1	REAL300017412901	0	45	-1.0	-53.86	389.73	8.47	-45.39
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300017412902	0	42	-1.0	-50.22	370.94	7.85	-42.37
CCSC1=CC=C(CNS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C=C1	REAL300017412903	0	39	-1.0	-48.67	362.74	7.00	-41.67
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C=C1	REAL300017412904	0	39	-1.0	-45.57	357.85	6.99	-38.58
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300017412905	0	39	-1.0	-52.10	360.85	6.98	-45.12
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300017412906	0	42	-1.0	-49.76	384.85	8.27	-41.49
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C=C1	REAL300017412907	0	42	-1.0	-49.36	374.77	7.32	-42.04
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300017412908	0	43	-1.0	-55.84	376.72	6.77	-49.07
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300017412909	0	40	-1.0	-55.59	365.12	4.98	-50.61
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300017412910	0	43	-1.0	-51.58	387.78	8.23	-43.35
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C=C1	REAL300017412911	0	45	-1.0	-49.03	399.90	8.53	-40.50
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300017412912	0	39	-1.0	-49.06	354.55	6.69	-42.37
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300017412913	0	42	-1.0	-49.62	378.50	7.72	-41.90
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300017412914	0	43	-1.0	-57.66	383.62	7.00	-50.66
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300017412915	0	43	-1.0	-49.54	387.40	7.22	-42.32
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C=C1	REAL300017412916	0	43	-1.0	-52.21	393.62	7.28	-44.93
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C=C1	REAL300017412917	0	39	-1.0	-45.66	354.47	6.70	-38.96
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300017412918	0	39	-1.0	-48.43	368.83	7.34	-41.09
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C=C1	REAL300017412919	0	42	-1.0	-52.38	374.13	7.32	-45.06
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300017412920	0	39	-1.0	-43.73	360.83	6.75	-36.98
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300017412921	0	45	-1.0	-53.62	393.13	8.10	-45.52
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300017412922	0	41	-1.0	-44.52	384.53	7.60	-36.92
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300017412923	0	42	-1.0	-56.58	381.18	7.59	-48.99
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C=C1	REAL300017412924	0	42	-1.0	-48.64	370.62	7.23	-41.41
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C=C1	REAL300017412925	0	42	-1.0	-49.89	376.55	7.56	-42.33
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300017412926	0	42	-1.0	-53.15	387.57	7.89	-45.26
CCSC1=CC=C(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C=C1	REAL300017412927	0	42	-1.0	-45.56	382.23	8.19	-37.37
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C=C1	REAL300017412928	0	41	-1.0	-44.64	373.67	8.44	-36.20
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300017412929	0	36	-1.0	-47.92	348.60	6.07	-41.85
CCSC1=CC=C(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300017412930	0	42	-1.0	-52.76	378.50	7.71	-45.05
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300017412931	0	41	-1.0	-62.62	382.88	8.03	-54.59
CCSC1=CC=C(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C=C1	REAL300017412932	0	41	-1.0	-57.64	379.89	8.78	-48.86
CCSC1=CC=C(CNS(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300017412933	0	42	-1.0	-47.48	390.08	8.00	-39.48
CCSC1=CC=C(CNS(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C=C1	REAL300017412934	0	42	-1.0	-46.88	381.27	7.61	-39.27
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300017412935	0	43	-1.0	-49.06	376.75	6.77	-42.29
CCSC1=CC=C(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C=C1	REAL300017412936	0	39	-1.0	-52.43	352.78	6.66	-45.77
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C=C1	REAL300017412938	0	43	-1.0	-49.89	377.50	5.93	-43.96
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C=C1	REAL300017412939	1	40	-1.0	-51.57	365.71	4.66	-46.91
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300017412940	0	38	-1.0	-48.63	352.55	5.05	-43.58
CCSC1=CC=C(CNS(=O)(=O)C2=C(C)NN=C2C(=O)[O-])C=C1	REAL300017412941	0	39	-1.0	-59.79	349.25	4.84	-54.95
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C=C1	REAL300017412942	0	42	-1.0	-56.31	375.47	7.87	-48.44
CCSC1=CC=C(CNS(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C=C1	REAL300017412943	0	36	-1.0	-46.69	347.84	5.54	-41.15
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)C=C1	REAL300017412944	0	39	-1.0	-53.69	357.29	6.69	-47.00
CCSC1=CC=C(CNS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C=C1	REAL300017412945	0	39	-1.0	-49.01	367.16	7.03	-41.98
CCSC1=CC=C(CNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300017412946	0	46	-1.0	-50.56	401.78	8.82	-41.74
CCSC1=CC=C(CNS(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)C=C1	REAL300017412947	0	42	-1.0	-52.28	380.67	6.86	-45.42
CCN1C=C(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017412948	0	51	-1.0	-52.05	378.87	6.48	-45.57
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@]1(C)C[C@H](C)CC(C)(C)C1	REAL300017412949	0	56	-1.0	-55.42	405.22	8.34	-47.08
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C1	REAL300017412950	0	57	-1.0	-56.57	408.23	9.12	-47.45
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C1	REAL300017412951	0	54	-1.0	-57.58	397.47	8.35	-49.23
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C1	REAL300017412952	0	47	-1.0	-48.49	366.89	6.98	-41.51
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017412953	0	47	-1.0	-51.65	366.64	6.84	-44.81
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300017412954	0	47	-1.0	-53.26	350.09	6.30	-46.96
CC1=CC=C(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017412955	0	50	-1.0	-50.97	367.71	6.85	-44.12
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300017412956	0	47	-1.0	-47.68	353.89	6.45	-41.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)=C1C	REAL300017412957	0	53	-1.0	-57.11	386.92	7.90	-49.21
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=C(CC(=O)[O-])S2)C1	REAL300017412958	0	47	-1.0	-47.07	367.31	6.30	-40.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@]1(C)C[C@H](C)CC(C)(C)C1	REAL300017412959	0	50	-1.0	-56.44	368.95	7.21	-49.23
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300017412960	0	44	-1.0	-49.39	343.35	5.44	-43.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@]1(C)C[C@H](C)CC(C)(C)C1	REAL300017412961	0	53	-1.0	-56.47	384.48	8.09	-48.38
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C1	REAL300017412962	0	48	-1.0	-51.89	357.64	5.72	-46.17
CC1=C(C(=O)[O-])SC(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)=C1	REAL300017412963	0	47	-1.0	-47.64	361.65	5.94	-41.70
CC1=C(C(=O)[O-])C(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)=C(C)O1	REAL300017412964	0	50	-1.0	-53.89	362.60	6.43	-47.46
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C1	REAL300017412965	0	47	-1.0	-49.05	371.34	7.04	-42.01
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@]1(C)C[C@H](C)CC(C)(C)C1	REAL300017412966	0	50	-1.0	-47.97	363.74	7.20	-40.77
CCC1=CC=C(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017412967	0	53	-1.0	-53.14	388.62	7.63	-45.51
CC1=CC(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)=CC=C1C(=O)[O-]	REAL300017412968	0	50	-1.0	-48.57	373.58	7.07	-41.50
CC1=C(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)C=C(C(=O)[O-])S1	REAL300017412969	0	47	-1.0	-54.41	362.04	6.21	-48.20
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@]1(C)C[C@H](C)CC(C)(C)C1	REAL300017412970	0	50	-1.0	-50.09	375.14	7.28	-42.81
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300017412971	0	54	-1.0	-44.54	410.33	5.03	-39.51
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N[C@]1(C)C[C@H](C)CC(C)(C)C1	REAL300017412972	0	55	-1.0	-53.92	413.32	7.32	-46.60
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N[C@]1(C)C[C@H](C)CC(C)(C)C1	REAL300017412973	0	54	-1.0	-50.70	404.12	6.80	-43.90
COC1=CC=C(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)C=C1CC(=O)[O-]	REAL300017412974	0	54	-1.0	-51.29	404.36	6.58	-44.71
CC1=CC(C)=C(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017412975	0	53	-1.0	-57.38	389.45	7.84	-49.54
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@]1(C)C[C@H](C)CC(C)(C)C1	REAL300017412976	0	51	-1.0	-57.72	378.51	5.30	-52.42
COC1=CC(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)=CC(C(=O)[O-])=C1OC	REAL300017412977	0	55	-1.0	-54.70	408.66	6.09	-48.61
CCOC1=CC=C(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017412978	0	54	-1.0	-59.89	403.28	7.42	-52.47
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1	REAL300017412979	0	44	-1.0	-51.33	341.84	5.37	-45.96
CC1=C(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)C=C(C(=O)[O-])O1	REAL300017412980	0	47	-1.0	-52.79	358.85	5.43	-47.36
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C1	REAL300017412981	0	53	-1.0	-55.43	395.89	6.22	-49.21
CC1=CC(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)=CC=C1OCC(=O)[O-]	REAL300017412982	0	54	-1.0	-47.38	401.22	7.28	-40.10
CC1=CC=C(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)C(C)=C1C(=O)[O-]	REAL300017412983	0	53	-1.0	-51.64	388.02	7.81	-43.83
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@]1(C)C[C@H](C)CC(C)(C)C1	REAL300017412984	0	50	-1.0	-48.54	367.23	7.19	-41.35
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C1	REAL300017412985	0	47	-1.0	-46.60	358.21	6.36	-40.24
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300017412986	0	47	-1.0	-44.02	366.46	6.98	-37.04
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300017412987	0	47	-1.0	-49.68	358.40	6.48	-43.20
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@]1(C)C[C@H](C)CC(C)(C)C1	REAL300017412988	0	50	-1.0	-50.71	382.19	7.56	-43.15
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C1	REAL300017412989	0	47	-1.0	-48.51	372.70	6.83	-41.68
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017412990	0	47	-1.0	-45.41	370.16	6.73	-38.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)=C1F	REAL300017412991	0	50	-1.0	-48.26	378.97	7.07	-41.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@]1(C)C[C@H](C)CC(C)(C)C1	REAL300017412992	0	51	-1.0	-54.84	382.13	6.05	-48.79
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)C1	REAL300017412993	0	48	-1.0	-54.94	362.93	4.49	-50.45
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300017412994	0	51	-1.0	-49.37	385.33	7.74	-41.63
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300017412995	0	53	-1.0	-46.98	397.48	8.04	-38.94
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300017412996	0	47	-1.0	-48.04	359.47	6.45	-41.59
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300017412997	0	50	-1.0	-48.13	376.06	7.24	-40.89
COC1=CC=C(S(=O)(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017412998	0	51	-1.0	-57.10	381.16	6.51	-50.59
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300017412999	0	51	-1.0	-47.19	385.20	6.72	-40.47
C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C1	REAL300017413000	0	51	-1.0	-49.53	391.18	6.79	-42.74
CCCC(C)(NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300017427578	0	40	-1.0	-40.89	323.91	5.34	-35.55
CCCC(C)(NS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300017427579	0	38	-1.0	-53.26	313.13	4.90	-48.36
CCCC(C)(NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017427580	0	40	-1.0	-42.84	336.49	4.41	-38.43
CCCC(C)(NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300017427581	0	46	-1.0	-48.26	355.17	5.14	-43.12
CCCC(C)(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300017427582	0	52	-1.0	-38.61	354.43	6.10	-32.51
CCCC(C)(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300017427583	0	42	-1.0	-51.19	338.77	4.87	-46.32
CCCC(C)(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427584	0	42	-1.0	-50.32	339.05	5.85	-44.47
CCCC(C)(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300017427585	0	45	-1.0	-46.02	349.26	2.24	-43.78
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300017427586	0	48	-1.0	-44.98	400.02	4.99	-39.99
CCCN1C=NC(S(=O)(=O)NC(C)(CCC)C(=O)[O-])=C1	REAL300017427587	0	40	-1.0	-48.69	321.34	5.05	-43.64
CCCC(C)(NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017427588	0	35	-1.0	-36.19	325.56	4.94	-31.25
CCCC(C)(NS(=O)(=O)C1=C(C#N)SC=C1)C(=O)[O-]	REAL300017427589	0	32	-1.0	-39.98	290.65	3.45	-36.53
CCCC(C)(NS(=O)(=O)CC1CCC(F)CC1)C(=O)[O-]	REAL300017427590	0	43	-1.0	-40.69	320.45	4.96	-35.73
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017427591	0	37	-1.0	-43.51	306.37	4.82	-38.69
CCCC(C)(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300017427592	0	40	-1.0	-52.11	318.95	4.65	-47.46
CCCC(C)(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300017427593	0	43	-1.0	-55.80	359.00	5.70	-50.10
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017427594	0	40	-1.0	-44.34	354.73	5.16	-39.18
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300017427595	0	43	-1.0	-47.17	358.03	5.13	-42.04
CCCC(C)(NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017427596	0	40	-1.0	-39.34	328.60	5.74	-33.60
CCCC(C)(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017427597	0	37	-1.0	-40.04	316.00	5.10	-34.94
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300017427598	0	34	-1.0	-41.82	308.90	4.80	-37.02
CCCC(C)(NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017427599	0	41	-1.0	-53.42	326.76	1.11	-52.31
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1	REAL300017427600	0	59	-1.0	-45.71	450.66	8.59	-37.12
CCCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300017427601	0	49	-1.0	-49.94	380.76	6.07	-43.87
CCCC(C)(NS(=O)(=O)N1CCC(CC)CC1)C(=O)[O-]	REAL300017427602	0	45	-1.0	-43.73	331.26	4.71	-39.02
CCCC(C)(NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017427603	0	40	-1.0	-38.46	324.05	5.42	-33.04
CCCC(C)(NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300017427604	0	40	-1.0	-43.77	324.25	5.45	-38.32
CCCC(C)(NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017427605	0	40	-1.0	-42.04	331.37	5.80	-36.24
CCCC(C)(NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300017427606	0	38	-1.0	-39.62	331.33	4.48	-35.14
CCCC(C)(NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300017427607	0	49	-1.0	-50.53	385.33	2.72	-47.81
CCCC(C)(NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300017427608	0	45	-1.0	-49.63	363.43	4.38	-45.25
CCCC(C)(NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300017427609	0	41	-1.0	-45.99	347.44	6.38	-39.61
CCCC(C)(NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-]	REAL300017427610	0	43	-1.0	-55.16	319.13	2.50	-52.66
CCCC(C)(NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017427611	0	37	-1.0	-39.69	319.24	5.21	-34.48
CCCC(C)(NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300017427612	0	47	-1.0	-55.92	364.77	5.99	-49.93
CCCC(C)(NS(=O)(=O)CC(C)CC(F)(F)F)C(=O)[O-]	REAL300017427613	0	39	-1.0	-36.06	309.43	4.12	-31.94
CCCC(C)(NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C(=O)[O-]	REAL300017427614	0	41	-1.0	-45.34	340.19	5.74	-39.60
CCCC(C)(NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300017427615	0	46	-1.0	-47.74	372.11	3.79	-43.95
CCCC(C)(NS(=O)(=O)C1=CC=C(F)C=C1OC)C(=O)[O-]	REAL300017427616	0	38	-1.0	-40.59	310.73	3.88	-36.71
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017427617	0	40	-1.0	-42.36	331.68	3.40	-38.96
CCCC(C)(NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300017427618	0	47	-1.0	-50.17	368.07	6.05	-44.12
CCCC(C)(NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300017427619	0	45	-1.0	-53.49	354.22	4.14	-49.35
CCCC(C)(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300017427620	0	37	-1.0	-44.54	312.07	3.39	-41.15
CCCC(C)(NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300017427621	0	37	-1.0	-53.28	323.20	3.51	-49.77
CCCOC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1C(C)C	REAL300017427622	0	53	-1.0	-45.25	403.42	6.83	-38.42
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017427623	0	42	-1.0	-41.61	337.81	6.10	-35.51
CCCC(C)(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300017427624	0	41	-1.0	-43.34	317.38	3.34	-40.00
CCCC(C)(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300017427625	0	47	-1.0	-51.87	375.79	6.46	-45.41
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300017427626	0	48	-1.0	-47.46	388.32	7.05	-40.41
CCCC(C)(NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300017427627	0	44	-1.0	-40.39	354.94	5.19	-35.20
CCCC(C)(NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300017427628	0	46	-1.0	-48.96	354.78	5.12	-43.84
CCCC(C)(NS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300017427629	0	42	-1.0	-45.84	352.49	2.53	-43.31
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300017427630	0	46	-1.0	-47.42	366.57	6.59	-40.83
CCCC(C)(NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300017427631	0	45	-1.0	-49.28	356.27	2.80	-46.48
CCCC(C)(NS(=O)(=O)CC1(C(F)F)CCCC1)C(=O)[O-]	REAL300017427632	0	43	-1.0	-37.80	322.67	5.12	-32.68
CCCC(C)(NS(=O)(=O)CC1(OCC)CCOCC1)C(=O)[O-]	REAL300017427633	0	48	-1.0	-39.48	349.80	2.82	-36.66
CCCC(C)(NS(=O)(=O)CC(OCC)C1CC1)C(=O)[O-]	REAL300017427634	0	44	-1.0	-40.37	336.99	4.27	-36.10
CCCC(C)(NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017427635	0	40	-1.0	-44.19	344.40	4.72	-39.47
CCCC(C)(NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300017427636	0	45	-1.0	-52.62	373.83	5.71	-46.91
CCCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300017427637	0	37	-1.0	-39.76	312.89	2.39	-37.37
CCCC(C)(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017427638	0	45	-1.0	-58.77	374.01	8.39	-50.38
CCCC(C)(NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300017427639	0	37	-1.0	-39.53	321.80	5.50	-34.03
CCCC(C)(NS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300017427640	0	37	-1.0	-41.19	312.44	5.21	-35.98
CCCC(C)(NS(=O)(=O)C1=CC=CC(F)=C1C(=O)OC)C(=O)[O-]	REAL300017427641	0	40	-1.0	-48.20	332.24	5.42	-42.78
CCCC(C)(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300017427642	0	42	-1.0	-45.93	329.99	1.46	-44.47
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300017427643	0	38	-1.0	-44.57	321.67	3.59	-40.98
CCCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300017427644	0	40	-1.0	-44.22	326.37	4.44	-39.78
CCCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300017427645	0	40	-1.0	-57.92	329.11	6.06	-51.86
CCCC(C)(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300017427646	0	41	-1.0	-46.87	331.67	1.28	-45.59
CCCC(C)(NS(=O)(=O)C1=C(C)N(CC2CC2)N=C1C)C(=O)[O-]	REAL300017427647	0	47	-1.0	-46.77	361.92	5.00	-41.77
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300017427648	0	41	-1.0	-50.54	334.68	4.21	-46.33
CCCC(C)(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017427649	0	42	-1.0	-39.26	345.85	6.03	-33.23
CCCC(C)(NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300017427650	0	34	-1.0	-43.02	297.85	4.36	-38.66
CCCC(C)(NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300017427651	0	37	-1.0	-39.85	307.86	4.67	-35.18
CCCC(C)(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300017427652	0	41	-1.0	-61.46	335.50	1.59	-59.87
CCCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC)C(=O)[O-]	REAL300017427653	0	43	-1.0	-47.82	346.83	4.68	-43.14
CCCC(C)(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017427654	0	37	-1.0	-40.69	310.21	5.29	-35.40
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300017427655	0	41	-1.0	-42.27	320.32	3.85	-38.42
CCCC(C)(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300017427656	0	38	-1.0	-43.90	320.76	3.66	-40.24
CCCC(C)(NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017427657	0	37	-1.0	-50.30	348.73	1.19	-49.11
CCCC(C)(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300017427658	0	37	-1.0	-50.23	315.80	2.73	-47.50
CCCC(C)(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300017427659	0	45	-1.0	-45.81	346.04	4.90	-40.91
CCCC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017427660	0	42	-1.0	-48.56	349.90	0.44	-48.12
CCCC(C)(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300017427661	0	45	-1.0	-47.40	371.37	1.34	-46.06
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C(CNC(=O)CC)=C1)C(=O)[O-]	REAL300017427662	0	51	-1.0	-50.45	402.88	2.94	-47.51
CCCC(C)(NS(=O)(=O)CC1=CC=C(CC)C=C1)C(=O)[O-]	REAL300017427663	0	43	-1.0	-41.34	338.84	6.00	-35.34
CCCC(C)(NS(=O)(=O)C1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300017427664	0	38	-1.0	-43.04	322.89	4.07	-38.97
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300017427665	0	49	-1.0	-47.13	384.60	4.14	-42.99
CCCC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300017427666	0	43	-1.0	-54.31	354.12	2.20	-52.11
CCCC(C)(NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300017427667	0	36	-1.0	-43.48	319.09	3.58	-39.90
CCCC(C)(NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300017427668	0	39	-1.0	-43.40	328.75	4.80	-38.60
CCCC(C)(NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300017427669	0	39	-1.0	-47.16	333.35	5.12	-42.04
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300017427670	0	35	-1.0	-43.53	312.98	4.68	-38.85
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300017427671	0	41	-1.0	-45.72	342.60	4.59	-41.13
CCCC(C)(NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017427672	0	48	-1.0	-39.92	390.68	3.34	-36.58
CCCC(C)(NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017427673	0	37	-1.0	-47.16	306.60	4.62	-42.54
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)OCC)=CC(F)=C1OC)C(=O)[O-]	REAL300017427674	0	47	-1.0	-55.41	385.66	5.89	-49.52
CCCC(C)(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300017427675	0	43	-1.0	-54.22	319.49	2.83	-51.39
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300017427676	0	44	-1.0	-45.43	344.46	4.63	-40.80
CCCC(C)(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300017427677	0	50	-1.0	-45.61	382.23	5.99	-39.62
CCCC(C)(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300017427678	0	48	-1.0	-45.22	365.47	5.94	-39.28
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300017427679	0	47	-1.0	-45.82	363.27	5.39	-40.43
CCCOC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1	REAL300017427680	0	44	-1.0	-45.83	343.17	4.69	-41.14
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300017427681	0	38	-1.0	-46.10	316.36	3.55	-42.55
CCCC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017427682	0	38	-1.0	-45.75	326.11	3.82	-41.93
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300017427683	0	41	-1.0	-46.46	320.41	3.75	-42.71
CCCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300017427684	0	47	-1.0	-46.05	360.21	5.25	-40.80
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300017427685	0	41	-1.0	-43.00	323.57	4.00	-39.00
CCCC(C)(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300017427686	0	45	-1.0	-48.52	355.29	3.16	-45.36
CCCC(C)(NS(=O)(=O)C1=CC=C(OCCOC)C(C)=C1)C(=O)[O-]	REAL300017427687	0	48	-1.0	-47.59	375.95	3.96	-43.63
CCCC(C)(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300017427688	0	37	-1.0	-44.46	301.44	4.60	-39.86
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)(CCC)C(=O)[O-])=C1	REAL300017427689	0	45	-1.0	-59.42	363.38	3.90	-55.52
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300017427690	0	49	-1.0	-48.75	377.86	3.26	-45.49
CCCC(C)(NS(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017427691	0	44	-1.0	-54.58	344.94	3.66	-50.92
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300017427692	0	37	-1.0	-41.32	315.76	5.31	-36.01
CCCC(C)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300017427693	0	40	-1.0	-42.23	351.75	1.99	-40.24
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017427694	0	40	-1.0	-44.87	342.36	6.16	-38.71
CCCC(C)(NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300017427695	0	35	-1.0	-44.21	307.04	4.51	-39.70
CCCC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300017427696	0	37	-1.0	-39.12	314.21	5.32	-33.80
CCCC(C)(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300017427697	0	42	-1.0	-56.79	321.24	6.66	-50.13
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl)C(=O)[O-]	REAL300017427698	0	40	-1.0	-43.50	345.38	5.27	-38.23
CCCC(C)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300017427699	0	43	-1.0	-43.65	354.91	2.23	-41.42
CCCC(C)(NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300017427700	0	38	-1.0	-34.85	319.73	5.59	-29.26
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300017427701	0	35	-1.0	-44.57	308.18	4.59	-39.98
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300017427702	0	50	-1.0	-48.44	382.50	5.44	-43.00
CCCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300017427703	0	46	-1.0	-56.14	381.76	2.08	-54.06
CCCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300017427704	0	42	-1.0	-49.13	347.51	-0.12	-49.25
CCCC(C)(NS(=O)(=O)C1=CC=C(CCNC(C)=O)S1)C(=O)[O-]	REAL300017427705	0	44	-1.0	-53.99	368.26	2.79	-51.20
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017427706	0	37	-1.0	-42.44	313.82	2.83	-39.61
CCCC(C)(NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300017427707	0	36	-1.0	-43.02	298.26	2.27	-40.75
CCCC(C)(NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427708	1	36	-1.0	-57.84	295.23	5.38	-52.46
CCCC(C)(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300017427709	0	37	-1.0	-36.39	329.33	5.57	-30.82
CCCC(C)(NS(=O)(=O)C1=C(C)NC(C(=O)OCC)=C1C)C(=O)[O-]	REAL300017427710	0	47	-1.0	-51.65	371.58	4.70	-46.95
CCCC(C)(NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017427711	0	34	-1.0	-48.19	293.02	4.69	-43.50
CCCC(C)(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300017427712	0	40	-1.0	-46.11	351.59	4.41	-41.70
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300017427713	0	54	-1.0	-45.26	405.49	7.34	-37.92
CCCC(C)(NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017427714	0	44	-1.0	-52.76	368.10	3.28	-49.48
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C)C(=O)[O-]	REAL300017427715	0	43	-1.0	-46.79	348.83	5.34	-41.45
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427716	0	36	-1.0	-52.71	308.59	6.23	-46.48
CCCC(C)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300017427717	0	42	-1.0	-45.17	343.79	3.24	-41.93
CCCC(C)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300017427718	0	45	-1.0	-46.10	353.57	4.03	-42.07
CCCC(C)(NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427719	1	36	-1.0	-48.47	319.08	6.44	-42.03
CCCC(C)(NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300017427720	0	42	-1.0	-50.84	340.74	5.21	-45.63
CCCC(C)(NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300017427721	0	37	-1.0	-60.80	315.90	4.96	-55.84
CCCC(C)(NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300017427722	0	39	-1.0	-48.66	314.64	-0.04	-48.70
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300017427723	0	37	-1.0	-39.08	309.63	5.21	-33.87
CCCC(C)(NS(=O)(=O)N1CCCC1C(=O)OCC)C(=O)[O-]	REAL300017427724	0	45	-1.0	-39.93	340.61	4.81	-35.12
CCCC(C)(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300017427725	0	42	-1.0	-48.59	336.55	1.45	-47.14
CCCC(C)(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300017427726	0	44	-1.0	-53.47	331.85	5.02	-48.45
CCCC(C)(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300017427727	0	42	-1.0	-42.45	351.71	3.70	-38.75
CCCC(C)(NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300017427728	0	43	-1.0	-39.95	350.77	5.22	-34.73
CCCC(C)(NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300017427729	0	45	-1.0	-56.58	341.36	4.11	-52.47
CCCC(C)(NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300017427730	0	45	-1.0	-55.72	348.09	4.38	-51.34
CCCC(C)(NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017427731	0	43	-1.0	-46.00	352.00	5.29	-40.71
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300017427732	0	40	-1.0	-42.28	335.67	3.76	-38.52
CCCC(C)(NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300017427733	0	47	-1.0	-49.14	377.14	4.74	-44.40
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300017427734	0	44	-1.0	-43.93	342.68	4.76	-39.17
CCCC(C)(NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300017427735	0	38	-1.0	-57.07	311.01	4.61	-52.46
CCCC(C)(NS(=O)(=O)CCCC(=O)OCC)C(=O)[O-]	REAL300017427736	0	42	-1.0	-39.48	336.10	4.14	-35.34
CCCC(C)(NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017427737	0	37	-1.0	-48.67	307.57	5.91	-42.76
CCCC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427738	0	36	-1.0	-52.39	313.17	6.33	-46.06
CCCC(C)(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427739	0	39	-1.0	-43.81	307.81	6.03	-37.78
CCCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300017427740	0	36	-1.0	-35.87	324.66	5.40	-30.47
CCCC(C)(NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017427741	0	31	-1.0	-42.09	282.54	3.25	-38.84
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300017427742	0	38	-1.0	-52.90	313.77	4.68	-48.22
CCCC(C)(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300017427743	0	42	-1.0	-47.22	321.60	4.96	-42.26
CCCC(C)(NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300017427744	0	36	-1.0	-37.27	307.85	3.21	-34.06
CCCC(C)(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300017427745	0	42	-1.0	-45.62	345.44	3.28	-42.34
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017427746	0	33	-1.0	-38.85	308.43	3.19	-35.66
CCCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300017427747	0	36	-1.0	-38.45	313.28	4.69	-33.76
CCCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017427748	0	36	-1.0	-41.65	315.30	4.85	-36.80
CCCC(C)(NS(=O)(=O)C1=NNC(C)=C1C(=O)OCC)C(=O)[O-]	REAL300017427749	0	43	-1.0	-45.85	342.04	2.36	-43.49
CCCC(C)(NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427750	0	39	-1.0	-53.12	324.88	5.01	-48.11
CCCC(C)(NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427751	0	36	-1.0	-46.00	307.02	5.59	-40.41
CCCC(C)(NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017427752	0	36	-1.0	-42.24	305.50	4.41	-37.83
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300017427753	0	41	-1.0	-47.42	341.82	4.41	-43.01
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427754	0	36	-1.0	-55.22	314.56	6.42	-48.80
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017427755	0	48	-1.0	-46.88	382.15	7.00	-39.88
CCCC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017427756	0	42	-1.0	-41.44	354.03	0.62	-40.82
CCCC(C)(NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300017427757	0	42	-1.0	-59.73	335.71	5.50	-54.23
CCCC(C)(NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300017427758	0	47	-1.0	-55.19	357.12	3.14	-52.05
CCCC(C)(NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300017427759	0	43	-1.0	-56.67	353.24	5.10	-51.57
CCCC(C)(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017427760	0	44	-1.0	-48.46	357.81	5.23	-43.23
CCCC(C)(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300017427761	0	37	-1.0	-57.99	301.93	2.89	-55.10
CCCC(C)(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300017427762	0	56	-1.0	-55.82	408.44	7.45	-48.37
CCCC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017427763	0	42	-1.0	-52.91	348.19	0.38	-52.53
CCCC(C)(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017427764	0	37	-1.0	-40.71	303.60	4.70	-36.01
CCCC(C)(NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017427765	0	40	-1.0	-50.24	335.94	1.25	-48.99
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300017427766	0	47	-1.0	-47.26	369.75	6.54	-40.72
CCCC(C)(NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300017427767	0	44	-1.0	-46.37	349.53	5.28	-41.09
CCCC(C)(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300017427768	0	39	-1.0	-58.18	319.10	3.85	-54.33
CCCC(C)(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017427769	0	41	-1.0	-47.49	332.46	4.79	-42.70
CCCC(C)(NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017427770	0	36	-1.0	-43.84	315.25	4.82	-39.02
CCCC(C)(NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300017427771	0	35	-1.0	-45.43	302.04	4.28	-41.15
CCCC(C)(NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300017427772	0	48	-1.0	-48.53	377.16	4.13	-44.40
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1	REAL300017427773	0	50	-1.0	-45.75	386.17	6.25	-39.50
CCCC(C)(NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427774	0	36	-1.0	-56.44	301.58	5.81	-50.63
CCCC(C)(NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017427775	0	40	-1.0	-46.02	330.16	4.38	-41.64
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017427776	0	40	-1.0	-38.96	359.25	5.56	-33.40
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC)C(=O)[O-]	REAL300017427777	0	44	-1.0	-50.33	360.93	4.36	-45.97
CCCC(C)(NS(=O)(=O)C1=CC=C(CC(=O)OC)S1)C(=O)[O-]	REAL300017427778	0	40	-1.0	-50.65	341.53	4.46	-46.19
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CS1)C(=O)[O-]	REAL300017427779	0	37	-1.0	-47.37	320.08	3.52	-43.85
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C)C(=O)[O-]	REAL300017427780	0	46	-1.0	-46.53	360.98	5.70	-40.83
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017427781	0	40	-1.0	-44.99	338.15	4.74	-40.25
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017427782	0	43	-1.0	-46.02	341.79	4.87	-41.15
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F)C(=O)[O-]	REAL300017427783	0	40	-1.0	-45.23	340.42	4.72	-40.51
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300017427784	0	44	-1.0	-57.37	329.36	6.98	-50.39
CCCC(C)(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017427785	0	40	-1.0	-44.26	320.92	5.65	-38.61
CCCC(C)(NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300017427786	0	33	-1.0	-41.54	288.27	2.51	-39.03
CCCC(C)(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300017427787	0	38	-1.0	-43.25	327.33	5.19	-38.06
CCCC(C)(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300017427788	0	39	-1.0	-46.01	306.78	2.97	-43.04
CCCC(C)(NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300017427789	0	39	-1.0	-44.09	321.64	-0.83	-44.92
CCCC(C)(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300017427790	0	48	-1.0	-45.50	383.83	5.62	-39.88
CCCC(C)(NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300017427791	0	43	-1.0	-46.02	337.14	4.37	-41.65
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC)C(=O)[O-]	REAL300017427792	0	39	-1.0	-52.76	331.20	4.31	-48.45
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300017427793	0	37	-1.0	-40.49	311.80	4.73	-35.76
CCCC(C)(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300017427794	0	41	-1.0	-44.48	347.42	5.01	-39.47
CCCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300017427795	0	46	-1.0	-47.66	361.51	5.21	-42.45
CCCCCCN1C=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C(=O)NC1=O	REAL300017427796	0	52	-1.0	-44.32	414.46	4.47	-39.85
CCCC(C)(NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300017427797	0	44	-1.0	-45.18	354.43	5.56	-39.62
CCCC(C)(NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300017427798	0	41	-1.0	-44.38	348.23	2.77	-41.61
CCCC(C)(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300017427799	0	41	-1.0	-45.26	337.31	-1.33	-46.59
CCCC(C)(NS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300017427800	0	37	-1.0	-41.78	311.79	4.74	-37.04
CCCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300017427801	0	39	-1.0	-41.24	337.32	5.75	-35.49
CCCC(C)(NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017427802	0	31	-1.0	-41.01	278.65	2.75	-38.26
CCCC(C)(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017427803	0	40	-1.0	-43.36	329.42	5.30	-38.06
CCCC(C)(NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017427804	0	31	-1.0	-37.09	305.91	4.31	-32.78
CCCC(C)(NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1)C(=O)[O-]	REAL300017427805	0	37	-1.0	-44.51	317.37	5.35	-39.16
CCCC(C)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300017427806	0	37	-1.0	-44.21	327.69	5.79	-38.42
CCCC(C)(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017427807	0	40	-1.0	-40.66	337.82	6.53	-34.13
CCCC(C)(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017427808	0	37	-1.0	-41.23	332.41	5.80	-35.43
CCCC(C)(NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300017427809	0	40	-1.0	-49.73	324.60	6.71	-43.02
CCCC(C)(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017427810	0	40	-1.0	-44.87	336.25	6.78	-38.09
CCCC(C)(NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017427811	0	45	-1.0	-48.03	377.36	2.75	-45.28
CCCC(C)(NS(=O)(=O)C1=CN(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300017427812	0	44	-1.0	-49.89	355.16	4.82	-45.07
CCCC(C)(NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)CC2=C1)C(=O)[O-]	REAL300017427813	0	48	-1.0	-49.48	384.33	5.90	-43.58
CCCC(C)(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017427814	0	40	-1.0	-48.66	336.08	1.23	-47.43
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300017427815	0	43	-1.0	-61.80	363.54	3.91	-57.89
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300017427816	0	47	-1.0	-51.83	378.31	5.29	-46.54
CCCC(C)(NS(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1)C(=O)[O-]	REAL300017427817	0	40	-1.0	-45.10	329.78	5.75	-39.35
CCCC(C)(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300017427818	0	45	-1.0	-43.87	373.44	0.99	-42.88
CCCC(C)(NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017427819	1	35	-1.0	-44.20	303.05	4.42	-39.78
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300017427820	0	45	-1.0	-46.26	345.81	4.39	-41.87
CCCC(C)(NS(=O)(=O)C1=CN=C(Cl)N1C)C(=O)[O-]	REAL300017427821	0	34	-1.0	-46.17	287.01	3.48	-42.69
CCCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300017427822	0	39	-1.0	-41.77	333.81	5.77	-36.00
CCCC(C)(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300017427823	0	38	-1.0	-45.57	326.05	5.18	-40.39
CCCC(C)(NS(=O)(=O)C1=CN(C)C(Cl)=N1)C(=O)[O-]	REAL300017427824	0	34	-1.0	-47.01	294.19	3.11	-43.90
CCCC(C)(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300017427825	0	37	-1.0	-49.44	320.80	4.65	-44.79
CCCC(C)(NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017427826	0	46	-1.0	-46.84	374.51	6.40	-40.44
CCCC(C)(NS(=O)(=O)C1=CC(N(C)C)=CC=C1Br)C(=O)[O-]	REAL300017427827	0	42	-1.0	-44.12	344.90	5.16	-38.96
CCCC(C)(NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300017427828	0	39	-1.0	-43.95	339.01	3.72	-40.23
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300017427829	0	40	-1.0	-55.96	335.04	6.25	-49.71
CCCC(C)(NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300017427830	0	46	-1.0	-52.27	349.51	4.54	-47.73
CCCC(C)(NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300017427831	0	41	-1.0	-43.97	332.17	1.44	-42.53
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017427832	0	39	-1.0	-44.57	323.83	4.99	-39.58
CCCC(C)(NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300017427833	0	40	-1.0	-55.78	324.70	5.79	-49.99
CCCC(C)(NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300017427834	0	37	-1.0	-59.46	310.98	3.56	-55.90
CCCC(C)(NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300017427835	0	37	-1.0	-38.29	326.83	5.54	-32.75
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300017427836	0	42	-1.0	-52.69	361.58	2.19	-50.50
CCCC(C)(NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017427837	0	33	-1.0	-37.63	304.46	3.14	-34.49
CCCC(C)(NS(=O)(=O)C1CCCCC1C(=O)OC)C(=O)[O-]	REAL300017427838	0	46	-1.0	-52.57	347.96	5.60	-46.97
CCCC(C)(NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300017427839	0	47	-1.0	-48.41	369.93	6.35	-42.06
CCCC(C)(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300017427840	0	41	-1.0	-59.68	320.85	4.71	-54.97
CCCC(C)(NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300017427841	0	38	-1.0	-41.77	331.16	5.32	-36.45
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300017427842	0	40	-1.0	-43.96	339.44	1.76	-42.20
CCCC(C)(NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300017427843	0	38	-1.0	-40.79	331.29	4.40	-36.39
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300017427844	0	43	-1.0	-67.94	341.02	8.03	-59.91
CCCC(C)(NS(=O)(=O)C1=C(CC)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017427845	0	43	-1.0	-57.54	354.18	4.65	-52.89
CCCC(C)(NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300017427846	0	51	-1.0	-58.46	389.34	5.91	-52.55
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300017427847	0	41	-1.0	-42.03	327.46	4.05	-37.98
CCCC(C)(NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017427848	0	54	-1.0	-48.18	391.76	5.50	-42.68
CCCC(C)(NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017427849	0	48	-1.0	-39.61	365.17	4.10	-35.51
CCCC(C)(NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300017427850	0	45	-1.0	-41.46	370.42	4.59	-36.87
CCCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300017427851	0	42	-1.0	-40.16	350.31	6.04	-34.12
CCCC(C)(NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300017427852	0	44	-1.0	-39.61	328.53	4.81	-34.80
CCCC(C)(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300017427853	0	46	-1.0	-39.93	323.26	5.44	-34.49
CCCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300017427854	0	43	-1.0	-43.57	332.40	5.00	-38.57
CCCC(C)(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300017427855	0	37	-1.0	-47.63	310.99	2.52	-45.11
CCCC(C)(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300017427856	0	38	-1.0	-44.34	306.56	3.07	-41.27
CCCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300017427857	0	45	-1.0	-63.04	364.66	4.39	-58.65
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300017427858	0	48	-1.0	-61.18	391.92	5.50	-55.68
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300017427859	0	43	-1.0	-58.24	328.33	6.34	-51.90
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300017427860	0	48	-1.0	-43.06	392.66	7.28	-35.78
CCCC(C)(NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)=C(C)C2=C1)C(=O)[O-]	REAL300017427861	0	49	-1.0	-52.21	396.51	6.93	-45.28
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1C)C(=O)[O-]	REAL300017427862	0	46	-1.0	-46.82	370.71	6.27	-40.55
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017427863	0	34	-1.0	-38.22	313.94	5.07	-33.15
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300017427864	0	34	-1.0	-42.44	301.14	4.09	-38.35
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1F)C(=O)[O-]	REAL300017427865	0	38	-1.0	-44.22	314.56	3.34	-40.88
CCCC(C)(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427866	0	42	-1.0	-57.66	331.53	7.15	-50.51
CCCC(C)(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300017427867	0	40	-1.0	-47.84	331.93	5.51	-42.33
CCCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017427868	0	44	-1.0	-36.78	361.54	6.66	-30.12
CCCC(C)(NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300017427869	0	42	-1.0	-49.61	339.19	2.00	-47.61
CCCC(C)(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300017427870	0	42	-1.0	-56.25	324.17	4.63	-51.62
CCCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300017427871	0	40	-1.0	-45.29	319.07	4.23	-41.06
CCCC(C)(NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017427873	0	37	-1.0	-47.69	303.11	4.58	-43.11
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017427874	0	37	-1.0	-41.80	326.29	5.18	-36.62
CCCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017427875	0	37	-1.0	-37.90	322.20	4.96	-32.94
CCCC(C)(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300017427876	0	37	-1.0	-44.37	313.54	4.95	-39.42
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC)C(=O)[O-]	REAL300017427877	0	45	-1.0	-58.66	332.20	1.94	-56.72
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300017427878	0	38	-1.0	-43.96	314.64	5.02	-38.94
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017427879	0	45	-1.0	-68.16	354.66	4.18	-63.98
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017427880	0	46	-1.0	-56.27	365.41	4.24	-52.03
CCCC(C)(NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017427881	0	40	-1.0	-42.35	334.29	4.49	-37.86
CCCC(C)(NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017427882	0	44	-1.0	-44.57	361.69	2.99	-41.58
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300017427883	0	44	-1.0	-43.28	359.05	4.49	-38.79
CCCC(C)(NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300017427884	0	37	-1.0	-37.94	315.06	5.22	-32.72
CCCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017427885	0	42	-1.0	-63.03	334.05	6.23	-56.80
CCCC(C)(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017427886	0	42	-1.0	-52.64	337.08	5.19	-47.45
CCCC(C)(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017427887	0	40	-1.0	-40.39	317.44	0.17	-40.22
CCCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017427888	0	44	-1.0	-48.91	351.07	4.58	-44.33
CCCC(C)(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017427889	0	39	-1.0	-60.24	320.93	4.41	-55.83
CCCC(C)(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017427890	0	38	-1.0	-46.25	311.72	3.33	-42.92
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300017427891	0	44	-1.0	-43.02	345.45	4.93	-38.09
CCCC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300017427892	0	42	-1.0	-50.54	347.46	-0.14	-50.68
CCCC(C)(NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-]	REAL300017427893	0	36	-1.0	-54.35	300.95	-0.81	-55.16
CCCC(C)(NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300017427894	0	43	-1.0	-49.01	345.62	5.95	-43.06
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017427895	0	38	-1.0	-44.33	314.06	4.01	-40.32
CCCC(C)(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300017427896	0	38	-1.0	-45.61	311.15	4.75	-40.86
CCCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1	REAL300017427897	0	46	-1.0	-44.82	370.09	6.16	-38.66
CCCC(C)(NS(=O)(=O)C1=CC=C(NC(=O)CC)C=C1)C(=O)[O-]	REAL300017427898	0	44	-1.0	-52.27	348.69	3.49	-48.78
CCCC(C)(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017427899	0	40	-1.0	-40.39	336.25	5.65	-34.74
CCCC(C)(NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300017427900	0	45	-1.0	-38.46	337.65	6.13	-32.33
CCCC(C)(NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300017427901	0	40	-1.0	-48.03	318.55	3.62	-44.41
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017427902	0	33	-1.0	-39.89	303.99	3.02	-36.87
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017427903	0	40	-1.0	-46.54	322.70	3.65	-42.89
CCCC(C)(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300017427904	0	39	-1.0	-46.10	316.27	4.45	-41.65
CCCC(C)(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017427905	0	46	-1.0	-46.36	367.25	5.71	-40.65
CCCC(C)(NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017427906	0	34	-1.0	-46.00	291.95	4.15	-41.85
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017427907	0	34	-1.0	-41.42	306.94	4.71	-36.71
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017427908	0	40	-1.0	-44.87	325.27	5.23	-39.64
CCCC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017427909	0	40	-1.0	-53.71	348.09	5.39	-48.32
CCCC(C)(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300017427910	0	42	-1.0	-51.40	338.99	3.97	-47.43
CCCC(C)(NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017427911	0	37	-1.0	-39.99	322.73	5.23	-34.76
CCCC(C)(NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300017427912	0	38	-1.0	-44.83	310.68	0.70	-44.13
CCCC(C)(NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017427913	0	43	-1.0	-48.10	352.49	6.57	-41.53
CCCC(C)(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300017427914	0	41	-1.0	-47.87	325.98	3.44	-44.43
CCCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017427915	0	36	-1.0	-40.14	322.58	5.31	-34.83
CCCC(C)(NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300017427916	0	43	-1.0	-46.02	375.96	5.35	-40.67
CCCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017427917	0	40	-1.0	-45.06	332.03	5.70	-39.36
CCCC(C)(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017427918	0	37	-1.0	-42.67	309.67	5.02	-37.65
CCCC(C)(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017427919	0	46	-1.0	-58.14	367.56	2.23	-55.91
CCCC(C)(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017427920	0	41	-1.0	-37.32	341.95	4.35	-32.97
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017427921	0	34	-1.0	-39.24	311.91	5.24	-34.00
CCCC(C)(NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017427922	0	42	-1.0	-44.05	340.64	1.11	-42.94
CCCC(C)(NS(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300017427953	0	43	-1.0	-45.79	352.02	5.31	-40.48
CCCC(C)(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017427954	0	42	-1.0	-57.11	336.30	4.86	-52.25
CCCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017427955	0	34	-1.0	-39.40	297.02	4.69	-34.71
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(CCC)C(=O)[O-]	REAL300017427956	0	53	-1.0	-65.31	405.33	7.37	-57.94
CCCC(C)(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017427957	0	37	-1.0	-43.75	321.78	5.43	-38.32
CCCC(C)(NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017427958	0	35	-1.0	-36.75	312.72	4.91	-31.84
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300017427959	0	41	-1.0	-49.83	354.88	3.55	-46.28
CCCC(C)(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017427960	0	42	-1.0	-43.18	328.33	4.41	-38.77
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017427961	0	38	-1.0	-40.15	337.43	4.38	-35.77
CCCC(C)(NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300017427962	0	46	-1.0	-52.12	325.84	7.25	-44.87
CCCC(C)(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300017427963	0	46	-1.0	-59.30	363.54	3.19	-56.11
CCCC(C)(NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300017427964	0	37	-1.0	-48.50	318.32	3.42	-45.08
CCCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017427965	0	43	-1.0	-60.17	356.95	6.74	-53.43
CCCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017427966	0	45	-1.0	-45.85	377.95	7.12	-38.73
CCCC(C)(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017427967	0	40	-1.0	-45.84	338.23	4.54	-41.30
CCCC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017427968	0	40	-1.0	-53.41	358.40	5.85	-47.56
CCCC(C)(NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300017427969	0	43	-1.0	-45.59	342.41	5.33	-40.26
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017427970	0	36	-1.0	-42.01	320.39	4.97	-37.04
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300017427971	0	38	-1.0	-49.60	330.39	4.93	-44.67
CCCC(C)(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300017427972	0	46	-1.0	-52.46	351.47	4.64	-47.82
CCCC(C)(NS(=O)(=O)C1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300017427973	0	48	-1.0	-52.24	363.78	3.69	-48.55
CCCC(C)(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300017427974	0	43	-1.0	-56.52	349.15	3.29	-53.23
CCCC(C)(NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017427975	0	33	-1.0	-40.31	297.93	2.77	-37.54
CCCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017427976	0	37	-1.0	-45.18	303.98	4.42	-40.76
CCCC(C)(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300017427977	0	37	-1.0	-46.00	296.95	2.38	-43.62
CCCC(C)(NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300017427978	0	38	-1.0	-58.51	301.77	3.52	-54.99
CCCC(C)(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017427979	0	42	-1.0	-46.78	324.57	4.30	-42.48
CCCC(C)(NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300017427980	0	38	-1.0	-43.53	320.10	3.91	-39.62
CCCC(C)(NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300017427981	0	43	-1.0	-52.08	353.91	6.74	-45.34
CCCC(C)(NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300017427982	0	43	-1.0	-51.39	347.91	5.17	-46.22
CCCC(C)(NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017427983	0	41	-1.0	-58.06	321.19	6.29	-51.77
CCCC(C)(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300017427984	0	44	-1.0	-47.38	353.79	5.46	-41.92
CCCC(C)(NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017427985	0	52	-1.0	-51.65	410.09	5.91	-45.74
CCCC(C)(NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017427986	0	52	-1.0	-48.99	413.03	5.93	-43.06
CCCC(C)(NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017427987	0	49	-1.0	-42.50	395.35	5.11	-37.39
CCCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300017427988	0	36	-1.0	-44.63	311.44	4.23	-40.40
CCCC(C)(NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017427989	0	45	-1.0	-57.46	350.01	4.83	-52.63
CCCC(C)(NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017427990	0	34	-1.0	-40.92	308.22	5.22	-35.70
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017427991	0	34	-1.0	-42.85	306.98	4.77	-38.08
CCCC(C)(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300017427992	0	44	-1.0	-60.62	336.41	6.00	-54.62
CCCC(C)(NS(=O)(=O)C1=CC=C(C#N)C(C)=C1)C(=O)[O-]	REAL300017427993	0	38	-1.0	-44.72	310.80	4.59	-40.13
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300017427994	0	40	-1.0	-46.66	330.14	4.39	-42.27
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300017427995	0	38	-1.0	-43.83	322.99	4.20	-39.63
CCCC(C)(NS(=O)(=O)C1=CC(OC)=CC=C1C)C(=O)[O-]	REAL300017427996	0	41	-1.0	-45.41	323.58	4.00	-41.41
CCCC(C)(NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017427997	0	35	-1.0	-44.08	311.33	4.60	-39.48
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300017427998	0	41	-1.0	-57.81	335.57	4.90	-52.91
CCCC(C)(NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300017427999	0	40	-1.0	-52.51	350.13	5.00	-47.51
CCCC(C)(NS(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1)C(=O)[O-]	REAL300017428000	0	41	-1.0	-48.45	332.33	2.66	-45.79
CC1=CC=C(CS(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1F	REAL300017430600	0	38	-1.0	-50.51	312.36	5.34	-45.17
CC(NS(=O)(=O)C1=CC=C(CC#N)C=C1)(C(=O)[O-])C1CC1	REAL300017430601	0	36	-1.0	-42.72	301.65	4.93	-37.79
COC(=O)C1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC(F)=C1F	REAL300017430602	0	38	-1.0	-51.50	328.06	5.04	-46.46
CC(NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)(C(=O)[O-])C1CC1	REAL300017430603	0	44	-1.0	-48.12	344.94	5.24	-42.88
CC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)(C(=O)[O-])C1CC1	REAL300017430604	0	50	-1.0	-56.02	349.14	6.28	-49.74
CC1=NC2=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=CC=C2C=C1	REAL300017430605	0	40	-1.0	-50.99	327.84	5.14	-45.85
CC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430606	0	40	-1.0	-55.56	326.41	5.79	-49.77
CC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)(C(=O)[O-])C1CC1	REAL300017430607	0	43	-1.0	-46.57	338.53	2.32	-44.25
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430608	0	46	-1.0	-62.40	386.35	5.33	-57.07
CCCN1C=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430609	0	38	-1.0	-62.87	308.17	6.05	-56.82
CC(NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)(C(=O)[O-])C1CC1	REAL300017430610	0	33	-1.0	-51.24	310.29	5.29	-45.95
CC(NS(=O)(=O)C1=C(C#N)SC=C1)(C(=O)[O-])C1CC1	REAL300017430611	0	30	-1.0	-39.94	277.61	3.39	-36.55
CC(NS(=O)(=O)CC1CCC(F)CC1)(C(=O)[O-])C1CC1	REAL300017430612	0	41	-1.0	-41.91	309.25	5.03	-36.88
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1Cl	REAL300017430613	0	35	-1.0	-43.84	296.19	4.90	-38.94
CC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)(C(=O)[O-])C1CC1	REAL300017430614	0	38	-1.0	-52.19	308.82	4.79	-47.40
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)=N1	REAL300017430615	0	41	-1.0	-43.99	345.63	5.21	-38.78
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1F	REAL300017430616	0	38	-1.0	-42.00	339.78	5.01	-36.99
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430617	0	41	-1.0	-46.08	347.03	5.27	-40.81
CC1=C(Br)C=CC=C1CS(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430618	0	38	-1.0	-49.18	319.38	5.73	-43.45
CC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)(C(=O)[O-])C1CC1	REAL300017430619	0	35	-1.0	-48.61	305.76	5.15	-43.46
CC(NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)(C(=O)[O-])C1CC1	REAL300017430620	0	32	-1.0	-51.00	299.14	5.36	-45.64
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430621	0	39	-1.0	-61.48	317.02	1.68	-59.80
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430622	0	57	-1.0	-41.64	439.73	8.68	-32.96
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430623	0	47	-1.0	-49.82	369.26	6.10	-43.72
CCC1CCN(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300017430624	0	43	-1.0	-56.37	313.69	4.73	-51.64
CC(NS(=O)(=O)CCC1=CC=C(F)C=C1)(C(=O)[O-])C1CC1	REAL300017430625	0	38	-1.0	-49.42	313.54	5.48	-43.94
CC(NS(=O)(=O)CCC1=CC=CC=C1F)(C(=O)[O-])C1CC1	REAL300017430626	0	38	-1.0	-50.04	312.70	5.45	-44.59
CC(NS(=O)(=O)CCC1=CC=CC=C1Cl)(C(=O)[O-])C1CC1	REAL300017430627	0	38	-1.0	-49.20	319.80	5.79	-43.41
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430628	0	36	-1.0	-40.64	319.18	4.53	-36.11
COC1=CC2=C(C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1)C(=O)NCCC2	REAL300017430629	0	47	-1.0	-49.71	371.73	2.88	-46.83
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)S2)C1	REAL300017430630	0	43	-1.0	-44.11	350.82	4.33	-39.78
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)SC2=CC=C(C#N)C=C12	REAL300017430631	0	39	-1.0	-47.10	336.91	6.47	-40.63
COC1CCN(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300017430632	0	41	-1.0	-56.29	307.07	2.49	-53.80
CC(NS(=O)(=O)CC1=CC(F)=CC=C1Br)(C(=O)[O-])C1CC1	REAL300017430633	0	35	-1.0	-48.32	307.41	5.21	-43.11
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430634	0	45	-1.0	-57.00	353.00	5.99	-51.01
CC(CC(F)(F)F)CS(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430635	0	37	-1.0	-51.41	297.91	4.08	-47.33
CC(NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)(C(=O)[O-])C1CC1	REAL300017430636	0	39	-1.0	-45.61	330.69	5.52	-40.09
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=C2)=N1	REAL300017430637	0	44	-1.0	-47.53	358.96	3.88	-43.65
COC1=CC(F)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430638	0	36	-1.0	-41.99	298.59	3.66	-38.33
COC(=O)C1=C(C)C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)O1	REAL300017430639	0	38	-1.0	-43.91	322.08	3.42	-40.49
CCC1=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CN1CC1CC1	REAL300017430640	0	45	-1.0	-52.51	360.98	6.16	-46.35
CC(=O)N1CC2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C2C1	REAL300017430641	0	43	-1.0	-66.18	346.27	4.81	-61.37
CC(NS(=O)(=O)C1=CN=C(C2CC2)S1)(C(=O)[O-])C1CC1	REAL300017430642	0	35	-1.0	-44.98	301.63	3.43	-41.55
CC(NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)(C(=O)[O-])C1CC1	REAL300017430643	0	35	-1.0	-53.91	311.52	3.52	-50.39
CCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300017430644	0	51	-1.0	-45.49	390.78	6.81	-38.68
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1[N+](=O)[O-]	REAL300017430645	0	40	-1.0	-52.21	327.15	6.60	-45.61
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430646	0	39	-1.0	-52.87	306.97	3.90	-48.97
CC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)(C(=O)[O-])C1CC1	REAL300017430647	0	45	-1.0	-52.86	363.94	6.42	-46.44
CC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)(C(=O)[O-])C1CC1	REAL300017430648	0	46	-1.0	-48.05	378.20	7.16	-40.89
COC(CS(=O)(=O)NC(C)(C(=O)[O-])C1CC1)C1=CC=C(F)C=C1	REAL300017430649	0	42	-1.0	-49.46	344.91	4.63	-44.83
CC(NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)(C(=O)[O-])C1CC1	REAL300017430650	0	44	-1.0	-48.88	344.72	5.24	-43.64
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Cl	REAL300017430651	0	40	-1.0	-45.41	340.76	2.59	-42.82
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=CC=C12	REAL300017430652	0	44	-1.0	-47.56	355.04	6.74	-40.82
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C	REAL300017430653	0	43	-1.0	-49.87	342.80	2.72	-47.15
CC(NS(=O)(=O)CC1(C(F)F)CCCC1)(C(=O)[O-])C1CC1	REAL300017430654	0	41	-1.0	-38.01	309.74	5.06	-32.95
CCOC1(CS(=O)(=O)NC(C)(C(=O)[O-])C2CC2)CCOCC1	REAL300017430655	0	46	-1.0	-50.98	336.82	2.64	-48.34
CCOC(CS(=O)(=O)NC(C)(C(=O)[O-])C1CC1)C1CC1	REAL300017430656	0	42	-1.0	-41.68	326.32	4.14	-37.54
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1F	REAL300017430657	0	38	-1.0	-42.11	329.46	4.58	-37.53
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=C(Cl)C=C21	REAL300017430658	0	43	-1.0	-53.36	356.90	5.46	-47.90
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430659	0	35	-1.0	-40.35	303.68	2.35	-38.00
CC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)(C(=O)[O-])C1CC1	REAL300017430660	0	43	-1.0	-47.54	360.01	7.82	-39.72
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430661	0	35	-1.0	-55.15	305.37	5.71	-49.44
CC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1Br	REAL300017430662	0	35	-1.0	-41.18	299.75	5.18	-36.00
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430663	0	38	-1.0	-56.34	322.88	5.41	-50.93
CC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)(C(=O)[O-])C1CC1	REAL300017430664	0	40	-1.0	-46.11	319.49	1.54	-44.57
COC1=CC(Br)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430665	0	36	-1.0	-54.89	311.85	4.14	-50.75
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300017430666	0	38	-1.0	-43.76	315.71	4.52	-39.24
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430667	0	38	-1.0	-59.89	318.28	6.03	-53.86
COCCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=N1	REAL300017430668	0	39	-1.0	-46.60	321.86	1.41	-45.19
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430669	0	45	-1.0	-58.00	352.89	5.41	-52.59
CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300017430670	0	39	-1.0	-45.62	323.75	4.30	-41.32
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1C	REAL300017430671	0	59	-1.0	-57.60	451.21	8.60	-49.00
CC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)(C(=O)[O-])C1CC1	REAL300017430672	0	40	-1.0	-52.70	335.35	6.09	-46.61
CC(NS(=O)(=O)C1=CC=C(F)C(Br)=C1)(C(=O)[O-])C1CC1	REAL300017430673	0	32	-1.0	-42.27	287.74	4.46	-37.81
CC(NS(=O)(=O)CC1=CC=C(F)C=C1F)(C(=O)[O-])C1CC1	REAL300017430674	0	35	-1.0	-41.54	296.61	4.73	-36.81
CC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)(C(=O)[O-])C1CC1	REAL300017430675	0	39	-1.0	-62.22	325.38	1.67	-60.55
CCN1C(=O)OC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=CC=C21	REAL300017430676	0	41	-1.0	-47.99	336.65	4.77	-43.22
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430677	0	35	-1.0	-53.98	296.64	5.57	-48.41
COCC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430678	0	39	-1.0	-42.00	307.94	3.81	-38.19
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1Br	REAL300017430679	0	36	-1.0	-43.48	310.10	3.75	-39.73
CC(NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)(C(=O)[O-])C1CC1	REAL300017430680	0	35	-1.0	-50.52	335.80	1.14	-49.38
CC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)(C(=O)[O-])C1CC1	REAL300017430681	0	35	-1.0	-49.07	306.05	2.86	-46.21
CC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)(C(=O)[O-])C1CC1	REAL300017430682	0	43	-1.0	-56.19	339.92	5.55	-50.64
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)(C(=O)[O-])C1CC1	REAL300017430683	0	40	-1.0	-49.83	337.83	0.53	-49.30
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1F	REAL300017430684	0	43	-1.0	-48.77	359.30	1.42	-47.35
CCC(=O)NCC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1OC	REAL300017430685	0	49	-1.0	-51.37	391.06	2.94	-48.43
CCC1=CC=C(CS(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430686	0	41	-1.0	-49.91	328.62	6.07	-43.84
COC1=CC=C(Br)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430687	0	36	-1.0	-43.01	310.80	4.01	-39.00
CC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)(C(=O)[O-])C1CC1	REAL300017430688	0	47	-1.0	-46.94	374.49	4.24	-42.70
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430689	0	41	-1.0	-65.68	343.24	2.65	-63.03
CC(NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)(C(=O)[O-])C1CC1	REAL300017430690	0	34	-1.0	-51.81	309.40	4.14	-47.67
CC(=O)C1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1Br	REAL300017430691	0	37	-1.0	-44.00	319.21	4.90	-39.10
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430692	0	37	-1.0	-47.02	319.84	4.99	-42.03
CC(NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)(C(=O)[O-])C1CC1	REAL300017430693	0	33	-1.0	-53.07	303.11	5.24	-47.83
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Br	REAL300017430694	0	39	-1.0	-44.83	332.50	4.69	-40.14
CC(NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)(C(=O)[O-])C1CC1	REAL300017430695	0	46	-1.0	-53.37	379.22	3.32	-50.05
CC(NS(=O)(=O)CC1=C(F)C=CC=C1F)(C(=O)[O-])C1CC1	REAL300017430696	0	35	-1.0	-52.22	296.26	4.69	-47.53
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430697	0	45	-1.0	-56.63	373.88	5.89	-50.74
CC(NS(=O)(=O)N1CCOC(C)(C)C1)(C(=O)[O-])C1CC1	REAL300017430698	0	41	-1.0	-40.94	301.95	2.57	-38.37
COC1=C(C)C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C	REAL300017430699	0	42	-1.0	-43.92	333.13	4.66	-39.26
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430700	0	48	-1.0	-41.56	371.31	6.08	-35.48
CC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)(C(=O)[O-])C1CC1	REAL300017430701	0	46	-1.0	-41.79	353.54	5.96	-35.83
CC(C)COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430702	0	45	-1.0	-41.76	352.34	5.47	-36.29
CCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430703	0	42	-1.0	-41.70	332.24	4.78	-36.92
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Cl	REAL300017430704	0	36	-1.0	-46.54	306.25	3.66	-42.88
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)(C(=O)[O-])C1CC1	REAL300017430705	0	36	-1.0	-45.45	316.01	3.93	-41.52
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C	REAL300017430706	0	39	-1.0	-46.46	308.51	3.76	-42.70
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1OC(C)C	REAL300017430707	0	45	-1.0	-46.07	348.82	5.33	-40.74
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1	REAL300017430708	0	39	-1.0	-42.80	306.53	3.87	-38.93
COCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430709	0	43	-1.0	-45.37	344.37	3.25	-42.12
COCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C	REAL300017430710	0	46	-1.0	-48.23	365.77	4.04	-44.19
CC(NS(=O)(=O)CC1=CC=CC=C1F)(C(=O)[O-])C1CC1	REAL300017430711	0	35	-1.0	-45.77	290.17	4.65	-41.12
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430712	0	43	-1.0	-55.94	351.48	3.47	-52.47
CC(NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)(C(=O)[O-])C1CC1	REAL300017430713	0	47	-1.0	-40.49	363.86	3.21	-37.28
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430714	0	42	-1.0	-57.70	334.25	4.06	-53.64
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(Br)=C1	REAL300017430715	0	35	-1.0	-40.88	302.63	5.24	-35.64
CC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)(C(=O)[O-])C1CC1	REAL300017430716	0	38	-1.0	-43.69	339.29	2.09	-41.60
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430717	0	38	-1.0	-60.75	323.43	6.26	-54.49
CC(NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)(C(=O)[O-])C1CC1	REAL300017430718	0	33	-1.0	-44.74	296.94	4.62	-40.12
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430719	0	35	-1.0	-39.11	298.34	5.18	-33.93
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1C	REAL300017430720	0	40	-1.0	-47.71	309.95	6.62	-41.09
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430721	0	38	-1.0	-43.55	333.37	5.23	-38.32
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430722	0	41	-1.0	-44.00	337.73	2.08	-41.92
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)(C(=O)[O-])C1CC1	REAL300017430723	0	36	-1.0	-36.23	307.51	5.73	-30.50
CC(NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)(C(=O)[O-])C1CC1	REAL300017430724	0	33	-1.0	-43.97	296.95	4.61	-39.36
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430725	0	48	-1.0	-46.29	371.49	5.51	-40.78
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)(C(=O)[O-])C1CC1	REAL300017430726	0	44	-1.0	-46.46	368.39	1.60	-44.86
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430727	0	40	-1.0	-46.86	336.00	-0.08	-46.94
CC(=O)NCCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300017430728	0	42	-1.0	-54.50	357.64	2.82	-51.68
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)O1	REAL300017430729	0	35	-1.0	-44.18	304.21	2.83	-41.35
CC1=NC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300017430730	0	34	-1.0	-44.85	286.34	2.49	-42.36
CC(NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430731	1	34	-1.0	-56.49	282.91	5.44	-51.05
CC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)(C(=O)[O-])C1CC1	REAL300017430732	0	35	-1.0	-37.56	318.34	5.63	-31.93
CCOC(=O)C1=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C(C)N1	REAL300017430733	0	45	-1.0	-60.47	357.38	4.92	-55.55
CC(NS(=O)(=O)C1=C(F)C=CC=C1Br)(C(=O)[O-])C1CC1	REAL300017430734	0	32	-1.0	-62.01	286.00	5.29	-56.72
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)S2)=CS1	REAL300017430735	0	38	-1.0	-44.88	339.93	4.42	-40.46
CC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)(C(=O)[O-])C1CC1	REAL300017430736	0	52	-1.0	-41.64	393.97	7.37	-34.27
CC(NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)(C(=O)[O-])C1CC1	REAL300017430737	0	42	-1.0	-53.49	357.99	3.38	-50.11
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430738	0	41	-1.0	-47.07	335.72	5.28	-41.79
CC(NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430739	0	34	-1.0	-53.66	296.89	6.23	-47.43
COC1=CC(F)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1OC	REAL300017430740	0	40	-1.0	-45.22	330.65	3.20	-42.02
COC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1OC	REAL300017430741	0	43	-1.0	-45.65	335.54	3.76	-41.89
CC(NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430742	1	34	-1.0	-49.55	306.77	6.42	-43.13
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430743	0	40	-1.0	-50.14	325.96	5.02	-45.12
CC(NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)(C(=O)[O-])C1CC1	REAL300017430744	0	35	-1.0	-50.54	302.40	4.79	-45.75
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(N)=O	REAL300017430745	0	37	-1.0	-49.25	304.74	-0.08	-49.33
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430746	0	35	-1.0	-39.09	293.78	5.09	-34.00
CCOC(=O)C1CCCN1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430747	0	43	-1.0	-54.45	328.52	4.34	-50.11
CNC(=O)C1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CN1C	REAL300017430748	0	40	-1.0	-49.27	326.68	1.41	-47.86
COC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1	REAL300017430749	0	42	-1.0	-54.80	319.45	5.14	-49.66
CC(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)(C(=O)[O-])C1CC1	REAL300017430750	0	40	-1.0	-42.99	339.34	3.69	-39.30
COC(=O)C1=CC=C(CS(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430751	0	41	-1.0	-51.92	340.54	5.30	-46.62
COC(=O)C1CCN(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300017430752	0	43	-1.0	-57.67	329.14	4.09	-53.58
CC(NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)(C(=O)[O-])C1CC1	REAL300017430753	0	43	-1.0	-48.82	334.45	3.83	-44.99
COC(=O)C1=CC=CC(CS(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430754	0	41	-1.0	-54.60	340.45	5.29	-49.31
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)O1	REAL300017430755	0	38	-1.0	-44.03	326.07	3.75	-40.28
COC(=O)CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430756	0	45	-1.0	-44.39	366.20	4.83	-39.56
COC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C	REAL300017430757	0	42	-1.0	-58.48	327.88	5.09	-53.39
CC(NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)(C(=O)[O-])C1CC1	REAL300017430758	0	36	-1.0	-54.47	297.30	4.07	-50.40
CCOC(=O)CCCS(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430759	0	40	-1.0	-54.95	324.64	4.11	-50.84
CC(NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)(C(=O)[O-])C1CC1	REAL300017430760	0	35	-1.0	-57.28	296.91	6.32	-50.96
CC(NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430761	0	34	-1.0	-53.29	301.45	6.33	-46.96
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430762	0	37	-1.0	-42.84	292.11	5.95	-36.89
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)(C(=O)[O-])C1CC1	REAL300017430763	0	34	-1.0	-35.22	309.44	5.25	-29.97
CC(NS(=O)(=O)C1=C(Br)C=CS1)(C(=O)[O-])C1CC1	REAL300017430764	0	29	-1.0	-42.61	271.81	3.39	-39.22
CC(NS(=O)(=O)C1=CC=CC2=C1COC2=O)(C(=O)[O-])C1CC1	REAL300017430765	0	36	-1.0	-40.90	301.90	4.19	-36.71
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=CN=C2C=C1	REAL300017430766	0	40	-1.0	-54.97	312.03	5.42	-49.55
CC(NS(=O)(=O)CC1=CC=C(Cl)N=C1)(C(=O)[O-])C1CC1	REAL300017430767	0	34	-1.0	-38.64	296.57	3.24	-35.40
CC(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)(C(=O)[O-])C1CC1	REAL300017430768	0	40	-1.0	-43.92	331.76	3.18	-40.74
CC(NS(=O)(=O)C1=CC(Br)=CN=C1Cl)(C(=O)[O-])C1CC1	REAL300017430769	0	31	-1.0	-50.28	293.86	3.55	-46.73
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)(C(=O)[O-])C1CC1	REAL300017430770	0	34	-1.0	-36.33	298.35	4.56	-31.77
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)(C(=O)[O-])C1CC1	REAL300017430771	0	34	-1.0	-41.77	304.59	4.90	-36.87
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430772	0	41	-1.0	-64.97	342.95	3.28	-61.69
CCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300017430773	0	37	-1.0	-53.99	313.14	5.04	-48.95
CC(NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430774	0	34	-1.0	-41.45	297.43	5.06	-36.39
CC(NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430775	0	34	-1.0	-53.90	295.74	4.97	-48.93
CC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300017430776	0	39	-1.0	-40.19	330.31	4.44	-35.75
CC(NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430777	0	34	-1.0	-56.90	301.37	6.32	-50.58
CC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)(C(=O)[O-])C1CC1	REAL300017430778	0	46	-1.0	-43.02	370.64	7.03	-35.99
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)(C(=O)[O-])C1CC1	REAL300017430779	0	40	-1.0	-45.25	347.09	0.42	-44.83
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430780	0	40	-1.0	-55.56	323.81	5.07	-50.49
CCOC(=O)N1CCN(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300017430781	0	45	-1.0	-56.30	344.05	3.04	-53.26
COC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=C(Cl)N=C2C=C1	REAL300017430782	0	41	-1.0	-48.76	341.26	5.02	-43.74
CC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)(C(=O)[O-])C1CC1	REAL300017430783	0	42	-1.0	-48.18	347.09	5.33	-42.85
CC(NS(=O)(=O)C1=CN=C2NC=CC=C12)(C(=O)[O-])C1CC1	REAL300017430784	0	35	-1.0	-58.85	290.20	2.91	-55.94
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430785	0	54	-1.0	-38.54	391.55	7.11	-31.43
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)(C(=O)[O-])C1CC1	REAL300017430786	0	40	-1.0	-45.29	336.51	0.39	-44.90
CC(NS(=O)(=O)CC1=CC=CC(F)=C1)(C(=O)[O-])C1CC1	REAL300017430787	0	35	-1.0	-50.23	292.05	4.70	-45.53
CC(NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)(C(=O)[O-])C1CC1	REAL300017430788	0	38	-1.0	-51.53	325.23	1.33	-50.20
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300017430789	0	45	-1.0	-47.01	357.11	6.48	-40.53
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430790	0	42	-1.0	-45.78	337.93	5.55	-40.23
CC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)(C(=O)[O-])C1CC1	REAL300017430791	0	37	-1.0	-72.95	309.60	4.41	-68.54
CC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)(C(=O)[O-])C1CC1	REAL300017430792	0	39	-1.0	-47.06	321.55	4.88	-42.18
CC(NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430793	0	34	-1.0	-43.47	305.14	4.93	-38.54
CC(NS(=O)(=O)C1=CC=CC(F)=C1C#N)(C(=O)[O-])C1CC1	REAL300017430794	0	33	-1.0	-56.37	288.17	4.58	-51.79
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430795	0	46	-1.0	-45.58	366.22	4.21	-41.37
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430796	0	48	-1.0	-41.48	375.24	6.34	-35.14
CC(NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430797	0	34	-1.0	-55.49	289.04	5.91	-49.58
COC(=O)C1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1F	REAL300017430798	0	38	-1.0	-45.02	320.05	4.48	-40.54
COC(=O)C1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C(Cl)C=C1Cl	REAL300017430799	0	38	-1.0	-38.75	345.51	5.50	-33.25
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430800	0	42	-1.0	-51.91	346.60	4.29	-47.62
COC(=O)CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300017430801	0	38	-1.0	-51.32	330.89	4.51	-46.81
COC(=O)C1=CSC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430802	0	35	-1.0	-41.41	308.30	3.52	-37.89
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430803	0	44	-1.0	-66.75	352.13	6.25	-60.50
COC(=O)C1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1Cl	REAL300017430804	0	38	-1.0	-44.06	328.04	4.85	-39.21
COC(=O)C1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1C	REAL300017430805	0	41	-1.0	-47.20	332.77	5.02	-42.18
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430806	0	38	-1.0	-45.34	327.93	4.69	-40.65
CC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)(C(=O)[O-])C1CC1	REAL300017430807	0	42	-1.0	-58.47	318.80	6.94	-51.53
CC(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)(C(=O)[O-])C1CC1	REAL300017430808	0	38	-1.0	-45.55	307.60	5.57	-39.98
CC(NS(=O)(=O)C1=CN=CC(Br)=C1)(C(=O)[O-])C1CC1	REAL300017430809	0	31	-1.0	-42.42	276.83	2.59	-39.83
CC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300017430810	0	36	-1.0	-37.95	315.78	5.21	-32.74
CC(NS(=O)(=O)C1=CC=C2COCC2=C1)(C(=O)[O-])C1CC1	REAL300017430811	0	37	-1.0	-46.63	296.74	3.09	-43.54
CC(NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)(C(=O)[O-])C1CC1	REAL300017430812	0	37	-1.0	-56.02	311.82	-0.31	-56.33
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C2S1	REAL300017430813	0	46	-1.0	-45.19	373.71	5.75	-39.44
COC(=O)CC1(CS(=O)(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300017430814	0	41	-1.0	-47.57	327.09	4.38	-43.19
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430815	0	37	-1.0	-53.88	319.55	4.31	-49.57
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C(F)C=C1F	REAL300017430816	0	35	-1.0	-40.54	298.67	4.69	-35.85
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430817	0	39	-1.0	-44.28	331.67	5.04	-39.24
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=CC=C21	REAL300017430818	0	44	-1.0	-47.11	351.16	5.33	-41.78
CCCCCCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(=O)NC1=O	REAL300017430819	0	50	-1.0	-44.27	401.55	4.49	-39.78
CC1=CN(C2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C2F)N=C1	REAL300017430820	0	42	-1.0	-45.37	344.33	5.67	-39.70
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300017430821	0	39	-1.0	-60.84	337.40	3.25	-57.59
CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430822	0	39	-1.0	-56.25	325.83	-1.35	-57.60
CC1=CC(F)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1F	REAL300017430823	0	35	-1.0	-41.75	298.68	4.70	-37.05
CC1=CC(Cl)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017430824	0	37	-1.0	-38.79	324.12	5.68	-33.11
CC(NS(=O)(=O)C1=CC=C(Br)O1)(C(=O)[O-])C1CC1	REAL300017430825	0	29	-1.0	-43.28	269.05	2.74	-40.54
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)OC2=CC=C(F)C=C12	REAL300017430826	0	38	-1.0	-44.29	318.90	4.98	-39.31
CC(NS(=O)(=O)C1=C(Cl)SC(Br)=C1)(C(=O)[O-])C1CC1	REAL300017430827	0	29	-1.0	-51.70	292.03	4.61	-47.09
CC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1)(C(=O)[O-])C1CC1	REAL300017430828	0	35	-1.0	-41.17	305.42	5.37	-35.80
CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)(C(=O)[O-])C1CC1	REAL300017430829	0	35	-1.0	-41.19	315.72	5.81	-35.38
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC(Cl)=CC=C2S1	REAL300017430830	0	38	-1.0	-52.94	329.56	6.99	-45.95
CC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)(C(=O)[O-])C1CC1	REAL300017430831	0	35	-1.0	-41.14	319.24	5.75	-35.39
CC(NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)(C(=O)[O-])C1CC1	REAL300017430832	0	38	-1.0	-49.25	309.27	6.46	-42.79
CC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)(C(=O)[O-])C1CC1	REAL300017430833	0	38	-1.0	-60.34	321.63	7.09	-53.25
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(=O)NCC(F)(F)F	REAL300017430834	0	43	-1.0	-48.82	365.28	2.66	-46.16
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CN1C	REAL300017430835	0	42	-1.0	-51.50	344.18	4.79	-46.71
CCOC(=O)C1CC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=CC=C2O1	REAL300017430836	0	46	-1.0	-57.24	374.70	6.48	-50.76
CC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)(C(=O)[O-])C1CC1	REAL300017430837	0	38	-1.0	-49.65	325.83	1.34	-48.31
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)(C(=O)[O-])C1CC1	REAL300017430838	0	41	-1.0	-67.84	352.01	4.16	-63.68
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430839	0	45	-1.0	-46.29	365.93	5.28	-41.01
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)SC2=CC=CC(F)=C12	REAL300017430840	0	38	-1.0	-45.07	319.34	6.06	-39.01
CC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)(C(=O)[O-])C1CC1	REAL300017430841	0	43	-1.0	-55.13	361.97	0.96	-54.17
CC(NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)(C(=O)[O-])C1CC1	REAL300017430842	1	33	-1.0	-46.81	289.61	4.41	-42.40
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1N(C)C	REAL300017430843	0	43	-1.0	-46.65	335.63	4.46	-42.19
CN1C(Cl)=NC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430844	0	32	-1.0	-46.78	274.11	3.47	-43.31
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430845	0	37	-1.0	-59.67	319.04	6.09	-53.58
CSC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Cl	REAL300017430846	0	36	-1.0	-46.01	315.94	5.28	-40.73
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)N=C1Cl	REAL300017430847	0	32	-1.0	-51.05	281.94	2.54	-48.51
CC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)(C(=O)[O-])C1CC1	REAL300017430848	0	35	-1.0	-45.41	308.22	4.53	-40.88
CC(NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1)(C(=O)[O-])C1CC1	REAL300017430849	0	44	-1.0	-49.76	362.95	6.41	-43.35
CN(C)C1=CC=C(Br)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430850	0	40	-1.0	-42.54	330.49	4.92	-37.62
CC1=NN2C=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=NC2=C1Cl	REAL300017430851	0	37	-1.0	-43.86	326.05	3.66	-40.20
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430852	0	38	-1.0	-56.97	323.47	6.24	-50.73
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430853	0	44	-1.0	-53.26	340.45	4.57	-48.69
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C12	REAL300017430854	0	39	-1.0	-45.18	323.47	1.55	-43.63
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC([N+](=O)[O-])=C1F	REAL300017430855	0	37	-1.0	-57.26	314.32	5.57	-51.69
CC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)(C(=O)[O-])C1CC1	REAL300017430856	0	38	-1.0	-45.40	327.71	6.68	-38.72
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430857	0	38	-1.0	-56.73	313.14	5.80	-50.93
CC(NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)(C(=O)[O-])C1CC1	REAL300017430858	0	35	-1.0	-59.35	295.08	3.28	-56.07
CC(NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)(C(=O)[O-])C1CC1	REAL300017430859	0	35	-1.0	-39.68	315.76	5.59	-34.09
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)(C(=O)[O-])C1CC1	REAL300017430860	0	40	-1.0	-72.70	348.06	2.50	-70.20
CC(NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)(C(=O)[O-])C1CC1	REAL300017430861	0	31	-1.0	-37.20	290.63	3.07	-34.13
COC(=O)C1CCCCC1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430862	0	44	-1.0	-53.40	333.42	5.38	-48.02
COC(=O)C1(C2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CC1	REAL300017430863	0	45	-1.0	-42.12	357.77	6.38	-35.74
CC(NS(=O)(=O)C1=CN2CCCCC2=N1)(C(=O)[O-])C1CC1	REAL300017430864	0	39	-1.0	-63.64	306.63	5.28	-58.36
CC(NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)(C(=O)[O-])C1CC1	REAL300017430865	0	36	-1.0	-43.30	319.88	5.35	-37.95
CC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)(C(=O)[O-])C1CC1	REAL300017430866	0	38	-1.0	-52.75	331.07	2.28	-50.47
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430867	0	36	-1.0	-41.37	319.18	4.54	-36.83
CC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)(C(=O)[O-])C1CC1	REAL300017430868	0	41	-1.0	-69.20	329.22	8.07	-61.13
CCC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C(C(=O)OC)O1	REAL300017430869	0	41	-1.0	-58.73	339.93	4.58	-54.15
CC(NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)(C(=O)[O-])C1CC1	REAL300017430870	0	49	-1.0	-56.79	372.51	5.54	-51.25
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1F	REAL300017430871	0	39	-1.0	-42.77	315.86	4.00	-38.77
CC(NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)(C(=O)[O-])C1CC1	REAL300017430872	0	52	-1.0	-54.68	382.75	5.53	-49.15
CC(NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)(C(=O)[O-])C1CC1	REAL300017430873	0	46	-1.0	-57.45	352.05	4.23	-53.22
CC(NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)(C(=O)[O-])C1CC1	REAL300017430874	0	43	-1.0	-61.90	361.64	5.16	-56.74
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430875	0	40	-1.0	-53.32	334.94	6.39	-46.93
CC(NS(=O)(=O)CC1(C#N)CCCCC1)(C(=O)[O-])C1CC1	REAL300017430876	0	42	-1.0	-56.56	316.69	4.78	-51.78
CC(NS(=O)(=O)CC1(C)CCCCC1)(C(=O)[O-])C1CC1	REAL300017430877	0	44	-1.0	-49.11	311.70	5.41	-43.70
CC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)(C(=O)[O-])C1CC1	REAL300017430878	0	41	-1.0	-46.20	324.10	5.30	-40.90
CC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)(C(=O)[O-])C1CC1	REAL300017430879	0	35	-1.0	-47.50	301.17	2.65	-44.85
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1F	REAL300017430880	0	36	-1.0	-43.94	295.85	3.15	-40.79
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430881	0	43	-1.0	-62.08	353.10	4.32	-57.76
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430882	0	46	-1.0	-62.29	381.33	5.55	-56.74
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430883	0	41	-1.0	-59.47	315.87	6.30	-53.17
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)(C(=O)[O-])C1CC1	REAL300017430884	0	46	-1.0	-43.29	378.42	7.40	-35.89
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=CC=C2O1	REAL300017430885	0	47	-1.0	-45.39	382.68	6.38	-39.01
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430886	0	44	-1.0	-47.09	357.58	6.21	-40.88
CC(NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)(C(=O)[O-])C1CC1	REAL300017430887	0	32	-1.0	-49.23	299.35	5.39	-43.84
CC1=C(Cl)SC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430888	0	32	-1.0	-42.87	290.96	4.15	-38.72
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(F)=C1	REAL300017430889	0	36	-1.0	-42.44	299.61	3.18	-39.26
CC1=CC=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1[N+](=O)[O-]	REAL300017430890	0	40	-1.0	-72.32	320.29	7.24	-65.08
CC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300017430891	0	38	-1.0	-40.08	320.41	5.55	-34.53
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1[N+](=O)[O-]	REAL300017430892	0	42	-1.0	-38.54	352.01	6.72	-31.82
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430893	0	40	-1.0	-42.64	324.72	1.90	-40.74
CN(C)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430894	0	40	-1.0	-57.39	312.62	4.62	-52.77
CC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)(C(=O)[O-])C1CC1	REAL300017430895	0	38	-1.0	-46.23	308.47	4.24	-41.99
CC(NS(=O)(=O)C1=CC=CC(C(F)F)=C1)(C(=O)[O-])C1CC1	REAL300017430897	0	35	-1.0	-64.52	295.27	5.17	-59.35
CC(NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)(C(=O)[O-])C1CC1	REAL300017430898	0	35	-1.0	-51.63	316.57	5.74	-45.89
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)(C(=O)[O-])C1CC1	REAL300017430899	0	35	-1.0	-37.63	308.87	4.90	-32.73
CC1=CC(Br)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430900	0	35	-1.0	-52.90	303.82	5.52	-47.38
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430901	0	43	-1.0	-57.50	314.06	2.23	-55.27
CSC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430902	0	36	-1.0	-43.43	300.77	4.94	-38.49
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430903	0	43	-1.0	-69.29	345.87	4.39	-64.90
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)(C(=O)[O-])C1CC1	REAL300017430904	0	44	-1.0	-57.19	353.62	4.23	-52.96
COC1=C(F)C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017430905	0	38	-1.0	-48.25	324.54	5.07	-43.18
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017430906	0	42	-1.0	-45.19	351.14	3.12	-42.07
CC(NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430907	0	43	-1.0	-53.67	359.01	5.59	-48.08
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(OC)=C1	REAL300017430908	0	42	-1.0	-44.21	346.87	4.26	-39.95
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430909	0	35	-1.0	-54.75	305.38	5.72	-49.03
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017430910	0	40	-1.0	-45.64	328.52	6.05	-39.59
CC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)(C(=O)[O-])C1CC1	REAL300017430911	0	40	-1.0	-55.75	325.53	5.17	-50.58
CC(NS(=O)(=O)C1CCS(=O)(=O)CC1)(C(=O)[O-])C1CC1	REAL300017430912	0	38	-1.0	-56.21	302.77	0.22	-55.99
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=CC=C21	REAL300017430913	0	42	-1.0	-58.86	341.20	5.16	-53.70
CC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)(C(=O)[O-])C1CC1	REAL300017430914	0	37	-1.0	-41.78	307.85	3.96	-37.82
COC1=CC(F)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(F)=C1	REAL300017430915	0	36	-1.0	-48.62	298.32	3.31	-45.31
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1	REAL300017430916	0	42	-1.0	-42.87	328.37	4.79	-38.08
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430917	0	40	-1.0	-59.80	337.74	0.41	-59.39
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430918	0	41	-1.0	-61.54	334.43	5.96	-55.58
CC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)(C(=O)[O-])C1CC1	REAL300017430919	0	36	-1.0	-44.91	304.33	4.10	-40.81
CSC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430920	0	36	-1.0	-41.72	299.59	4.77	-36.95
CCCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430921	0	44	-1.0	-41.29	357.53	6.12	-35.17
CCC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300017430922	0	42	-1.0	-45.45	334.16	3.39	-42.06
CC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)(C(=O)[O-])C1CC1	REAL300017430923	0	38	-1.0	-50.50	324.37	5.63	-44.87
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430924	0	43	-1.0	-59.19	330.56	6.35	-52.84
CCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)N=C1C	REAL300017430925	0	38	-1.0	-51.61	308.69	3.76	-47.85
CC(NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)(C(=O)[O-])C1CC1	REAL300017430926	0	31	-1.0	-49.25	289.36	3.39	-45.86
CC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)(C(=O)[O-])C1CC1	REAL300017430927	0	38	-1.0	-46.31	309.02	3.64	-42.67
CC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)(C(=O)[O-])C1CC1	REAL300017430928	0	37	-1.0	-57.59	300.04	4.69	-52.90
CC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)(C(=O)[O-])C1CC1	REAL300017430929	0	44	-1.0	-47.90	357.11	5.82	-42.08
CC(NS(=O)(=O)C1=CC=CC(F)=C1F)(C(=O)[O-])C1CC1	REAL300017430930	0	32	-1.0	-54.57	276.12	4.45	-50.12
CC(NS(=O)(=O)C1=CC(Br)=CC=C1F)(C(=O)[O-])C1CC1	REAL300017430931	0	32	-1.0	-41.50	294.43	4.66	-36.84
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300017430932	0	38	-1.0	-46.32	313.37	5.22	-41.10
CC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)(C(=O)[O-])C1CC1	REAL300017430933	0	38	-1.0	-48.00	332.74	4.48	-43.52
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C12	REAL300017430934	0	40	-1.0	-45.09	326.76	3.44	-41.65
CC(NS(=O)(=O)CC1=CC=C(Br)C=C1F)(C(=O)[O-])C1CC1	REAL300017430935	0	35	-1.0	-41.68	311.49	5.29	-36.39
CC1=NOC2=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C12	REAL300017430936	0	36	-1.0	-44.63	300.23	0.69	-43.94
CC(NS(=O)(=O)C1=CC=C(CCCCl)C=C1)(C(=O)[O-])C1CC1	REAL300017430937	0	41	-1.0	-41.64	340.93	6.60	-35.04
COCC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430938	0	39	-1.0	-59.12	316.17	3.96	-55.16
CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)(C(=O)[O-])C1CC1	REAL300017430939	0	34	-1.0	-38.59	309.55	5.38	-33.21
COC(=O)C1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C(C(=O)OC)S1	REAL300017430940	0	41	-1.0	-62.53	359.51	5.49	-57.04
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430941	0	38	-1.0	-61.38	313.08	5.81	-55.57
CC(NS(=O)(=O)CC1=CC=CC=C1Cl)(C(=O)[O-])C1CC1	REAL300017430942	0	35	-1.0	-44.02	298.33	5.06	-38.96
CC(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)(C(=O)[O-])C1CC1	REAL300017430943	0	44	-1.0	-57.37	355.97	2.25	-55.12
CC(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300017430944	0	39	-1.0	-49.46	331.73	4.42	-45.04
CC(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)(C(=O)[O-])C1CC1	REAL300017430945	0	32	-1.0	-39.24	299.87	5.19	-34.05
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=CN=C21	REAL300017430946	0	40	-1.0	-41.48	328.44	1.11	-40.37
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1F	REAL300017430979	0	41	-1.0	-44.96	341.33	5.39	-39.57
CC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)(C(=O)[O-])C1CC1	REAL300017430980	0	40	-1.0	-57.85	323.83	4.83	-53.02
CC(NS(=O)(=O)C1=CC(F)=CC=C1Cl)(C(=O)[O-])C1CC1	REAL300017430981	0	32	-1.0	-39.47	284.98	4.63	-34.84
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430982	0	51	-1.0	-65.99	393.74	7.30	-58.69
CC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)(C(=O)[O-])C1CC1	REAL300017430983	0	35	-1.0	-49.74	312.68	5.51	-44.23
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)(C(=O)[O-])C1CC1	REAL300017430984	0	33	-1.0	-35.74	298.36	4.79	-30.95
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Cl	REAL300017430985	0	39	-1.0	-48.42	339.43	3.36	-45.06
CC1CC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=CC=C2O1	REAL300017430986	0	40	-1.0	-46.37	317.65	4.41	-41.96
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Cl	REAL300017430987	0	36	-1.0	-39.68	323.60	4.29	-35.39
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430988	0	44	-1.0	-52.83	313.92	7.25	-45.58
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430989	0	44	-1.0	-52.23	353.94	2.78	-49.45
COC(=O)C1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CS1	REAL300017430990	0	35	-1.0	-61.99	308.00	3.92	-58.07
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430991	0	41	-1.0	-61.34	345.40	6.75	-54.59
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)(C(=O)[O-])C1CC1	REAL300017430992	0	43	-1.0	-42.42	364.94	7.11	-35.31
CC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)(C(=O)[O-])C1CC1	REAL300017430993	0	38	-1.0	-49.49	327.12	4.42	-45.07
CC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)(C(=O)[O-])C1CC1	REAL300017430994	0	38	-1.0	-47.66	343.06	4.93	-42.73
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1C	REAL300017430995	0	41	-1.0	-55.97	327.93	5.61	-50.36
CC(NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430996	0	34	-1.0	-53.91	310.64	5.52	-48.39
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430997	0	36	-1.0	-50.66	318.60	4.94	-45.72
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430998	0	44	-1.0	-58.24	342.82	4.64	-53.60
CCOC(=O)N1CCC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300017430999	0	46	-1.0	-52.86	354.89	3.76	-49.10
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)=CO1	REAL300017431000	0	41	-1.0	-46.56	335.84	2.82	-43.74
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1F	REAL300017445865	0	36	-1.0	-63.29	309.58	1.84	-61.45
N#CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1	REAL300017445866	0	34	-1.0	-64.53	300.18	1.56	-62.97
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=CC(F)=C1F	REAL300017445867	0	36	-1.0	-52.63	324.59	1.02	-51.61
O=C([O-])C1(NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)CC(O)C1	REAL300017445868	0	42	-1.0	-45.99	342.42	1.23	-44.76
O=C([O-])C1(NS(=O)(=O)N2CCC3(CCCCC3)CC2)CC(O)C1	REAL300017445869	0	48	-1.0	-56.72	344.43	2.56	-54.16
CC1=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CC(O)C3)C=CC=C2C=C1	REAL300017445870	0	38	-1.0	-61.73	323.30	1.52	-60.21
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CC(O)C1	REAL300017445871	0	38	-1.0	-58.30	324.04	2.14	-56.16
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)CC(O)C1	REAL300017445872	0	41	-1.0	-58.82	335.84	-1.24	-60.06
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445873	0	44	-1.0	-64.79	382.71	1.36	-63.43
CCCN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445874	0	36	-1.0	-48.39	305.08	0.61	-47.78
N#CC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1Br	REAL300017445875	0	31	-1.0	-39.68	294.77	0.47	-39.21
N#CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=CS1	REAL300017445876	0	28	-1.0	-66.25	253.98	-0.70	-66.95
O=C([O-])C1(NS(=O)(=O)CC2CCC(F)CC2)CC(O)C1	REAL300017445877	0	39	-1.0	-54.16	306.31	1.44	-52.72
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=CC=C1Cl	REAL300017445878	0	33	-1.0	-49.53	292.72	1.19	-48.34
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CC(O)C1	REAL300017445879	0	36	-1.0	-61.23	306.66	1.25	-59.98
CC1=CSC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(O)C3)C=C2)=N1	REAL300017445880	0	39	-1.0	-58.19	344.16	1.86	-56.33
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1F	REAL300017445881	0	36	-1.0	-51.00	323.95	0.71	-50.29
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445882	0	39	-1.0	-47.30	329.46	0.86	-46.44
CC1=C(Br)C=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445883	0	36	-1.0	-60.24	317.34	2.18	-58.06
O=C([O-])C1(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)CC(O)C1	REAL300017445884	0	33	-1.0	-59.14	303.01	1.64	-57.50
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)CC(O)C1	REAL300017445885	0	30	-1.0	-53.39	297.01	1.42	-51.97
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445886	0	37	-1.0	-74.67	314.90	-2.28	-76.95
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1	REAL300017445887	0	55	-1.0	-58.00	438.74	5.19	-52.81
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1	REAL300017445888	0	45	-1.0	-60.46	367.80	2.73	-57.73
CCC1CCN(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)CC1	REAL300017445889	0	41	-1.0	-52.76	315.58	0.93	-51.83
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C(F)C=C2)CC(O)C1	REAL300017445890	0	36	-1.0	-59.17	310.77	1.99	-57.18
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2F)CC(O)C1	REAL300017445891	0	36	-1.0	-57.86	309.67	1.82	-56.04
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2Cl)CC(O)C1	REAL300017445892	0	36	-1.0	-56.44	316.73	2.14	-54.30
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445893	0	34	-1.0	-39.28	300.36	0.58	-38.70
COC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1)C(=O)NCCC2	REAL300017445894	0	45	-1.0	-68.57	366.11	-0.83	-69.40
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC3(C(=O)[O-])CC(O)C3)S2)C1	REAL300017445895	0	41	-1.0	-47.34	348.52	0.33	-47.01
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)SC2=CC=C(C#N)C=C12	REAL300017445896	0	37	-1.0	-61.13	333.50	2.48	-58.65
COC1CCN(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)CC1	REAL300017445897	0	39	-1.0	-53.85	308.96	-1.32	-55.17
O=C([O-])C1(NS(=O)(=O)CC2=CC(F)=CC=C2Br)CC(O)C1	REAL300017445898	0	33	-1.0	-58.09	306.16	1.74	-56.35
CCC(C)OC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445899	0	43	-1.0	-57.16	347.34	1.69	-55.47
CC(CC(F)(F)F)CS(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445900	0	35	-1.0	-37.65	292.58	0.14	-37.51
O=C([O-])C1(NS(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)CC(O)C1	REAL300017445901	0	37	-1.0	-58.93	325.26	1.92	-57.01
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC3(C(=O)[O-])CC(O)C3)=C2)=N1	REAL300017445902	0	42	-1.0	-67.32	353.97	0.19	-67.13
COC1=CC(F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445903	0	34	-1.0	-53.89	277.69	0.55	-53.34
COC(=O)C1=C(C)C=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)O1	REAL300017445904	0	36	-1.0	-47.62	315.64	-0.11	-47.73
CCC1=NC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=CN1CC1CC1	REAL300017445905	0	43	-1.0	-55.58	354.08	1.98	-53.60
CC(=O)N1CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(O)C3)C=C2C1	REAL300017445906	0	41	-1.0	-62.02	343.58	0.84	-61.18
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3CC3)S2)CC(O)C1	REAL300017445907	0	33	-1.0	-50.92	297.32	-0.37	-51.29
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)CC(O)C1	REAL300017445908	0	33	-1.0	-70.04	309.53	0.05	-69.99
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1C(C)C	REAL300017445909	0	49	-1.0	-51.24	388.71	3.13	-48.11
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C(C)=C1[N+](=O)[O-]	REAL300017445910	0	38	-1.0	-54.08	324.77	2.65	-51.43
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445911	0	37	-1.0	-43.50	293.11	-0.65	-44.15
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CC(O)C1	REAL300017445912	0	43	-1.0	-54.91	362.02	2.45	-52.46
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)CC(O)C1	REAL300017445913	0	44	-1.0	-50.58	374.73	3.44	-47.14
COC(CS(=O)(=O)NC1(C(=O)[O-])CC(O)C1)C1=CC=C(F)C=C1	REAL300017445914	0	40	-1.0	-53.24	340.65	1.40	-51.84
O=C([O-])C1(NS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CC3)CC(O)C1	REAL300017445915	0	42	-1.0	-45.26	342.26	1.21	-44.05
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1Cl	REAL300017445916	0	38	-1.0	-51.88	339.12	-1.04	-52.92
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CC(O)C3)C=CC=C12	REAL300017445917	0	42	-1.0	-60.81	351.90	3.15	-57.66
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1C	REAL300017445918	0	41	-1.0	-57.49	342.92	-0.76	-58.25
O=C([O-])C1(NS(=O)(=O)CC2(C(F)F)CCCC2)CC(O)C1	REAL300017445919	0	39	-1.0	-54.08	305.49	1.54	-52.54
CCOC1(CS(=O)(=O)NC2(C(=O)[O-])CC(O)C2)CCOCC1	REAL300017445920	0	44	-1.0	-43.58	334.79	-0.63	-44.21
CCOC(CS(=O)(=O)NC1(C(=O)[O-])CC(O)C1)C1CC1	REAL300017445921	0	40	-1.0	-42.69	320.02	0.60	-42.09
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1F	REAL300017445922	0	36	-1.0	-50.60	313.64	0.27	-50.33
CC(=O)N1CCC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC(O)C3)=C(Cl)C=C21	REAL300017445923	0	41	-1.0	-54.17	351.01	1.22	-52.95
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445924	0	33	-1.0	-38.21	297.64	-1.72	-39.93
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)CC(O)C1	REAL300017445925	0	41	-1.0	-56.54	359.56	4.38	-52.16
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445926	0	33	-1.0	-59.07	303.33	1.75	-57.32
CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1Br	REAL300017445927	0	33	-1.0	-42.69	293.48	0.93	-41.76
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445928	0	36	-1.0	-56.68	315.87	1.20	-55.48
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)CC(O)C1	REAL300017445929	0	38	-1.0	-58.83	316.93	-2.08	-60.91
COC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445930	0	34	-1.0	-57.55	309.77	0.21	-57.34
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=CC=C1[N+](=O)[O-]	REAL300017445931	0	36	-1.0	-48.66	312.78	0.83	-47.83
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445932	0	36	-1.0	-63.85	316.33	1.96	-61.89
COCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=N1	REAL300017445933	0	37	-1.0	-59.37	318.43	-2.17	-61.54
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445934	0	43	-1.0	-53.82	348.46	1.65	-52.17
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CC(O)C1	REAL300017445935	0	37	-1.0	-59.91	322.92	0.80	-59.11
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CC(O)C1	REAL300017445936	0	38	-1.0	-61.32	332.58	2.60	-58.72
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(Br)=C2)CC(O)C1	REAL300017445937	0	30	-1.0	-46.46	284.26	0.75	-45.71
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(F)C=C2F)CC(O)C1	REAL300017445938	0	33	-1.0	-63.62	294.58	1.23	-62.39
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CC(O)C1	REAL300017445939	0	37	-1.0	-80.76	323.18	-1.87	-82.63
CCN1C(=O)OC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC(O)C3)=CC=C21	REAL300017445940	0	39	-1.0	-65.42	334.48	1.24	-64.18
CC1=C(Br)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445941	0	33	-1.0	-57.26	296.45	1.48	-55.78
COCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445942	0	37	-1.0	-57.86	306.45	0.36	-57.50
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=CC=C1Br	REAL300017445943	0	34	-1.0	-49.08	307.17	0.05	-49.03
CS(=O)(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C(Cl)S1	REAL300017445944	0	33	-1.0	-64.18	329.31	-2.58	-66.76
O=C([O-])C1(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CC(O)C1	REAL300017445945	0	33	-1.0	-63.88	302.86	-0.76	-64.64
CC1(C)CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC(O)C3)=CC=C2O1	REAL300017445946	0	41	-1.0	-46.36	336.36	1.02	-45.34
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1F	REAL300017445947	0	38	-1.0	-53.71	336.16	-3.15	-56.86
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1F	REAL300017445948	0	41	-1.0	-52.77	357.62	-2.26	-55.03
CCC(=O)NCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=CC=C1OC	REAL300017445949	0	47	-1.0	-59.18	388.17	-0.76	-59.94
CCC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1	REAL300017445950	0	39	-1.0	-55.59	325.48	2.43	-53.16
COC1=CC=C(Br)C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445951	0	34	-1.0	-44.46	304.81	-0.34	-44.80
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CC(O)C1	REAL300017445952	0	45	-1.0	-56.13	371.03	0.52	-55.61
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445953	0	39	-1.0	-62.60	339.44	-1.51	-64.11
O=C([O-])C1(NS(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)CC(O)C1	REAL300017445954	0	32	-1.0	-54.30	306.83	0.19	-54.11
CC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=CC=C1Br	REAL300017445955	0	35	-1.0	-49.41	314.03	1.10	-48.31
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445956	0	35	-1.0	-64.90	315.61	1.36	-63.54
N#CC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445957	0	31	-1.0	-53.75	301.10	1.29	-52.46
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1Br	REAL300017445958	0	37	-1.0	-49.47	329.02	0.98	-48.49
O=C([O-])C1(NS(=O)(=O)CCNC(=O)OCC2=CC=CC=C2)CC(O)C1	REAL300017445959	0	44	-1.0	-63.65	376.35	-0.15	-63.80
O=C([O-])C1(NS(=O)(=O)CC2=C(F)C=CC=C2F)CC(O)C1	REAL300017445960	0	33	-1.0	-64.00	293.48	1.20	-62.80
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445961	0	43	-1.0	-59.00	371.56	1.87	-57.13
CC1(C)CN(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)CCO1	REAL300017445962	0	39	-1.0	-53.79	303.59	-0.80	-54.59
COC1=C(C)C=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1C	REAL300017445963	0	40	-1.0	-57.47	332.17	1.15	-56.32
CC(C)CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1	REAL300017445964	0	46	-1.0	-57.81	370.31	2.59	-55.22
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CC(O)C1	REAL300017445965	0	44	-1.0	-57.02	354.52	2.53	-54.49
CC(C)COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1	REAL300017445966	0	43	-1.0	-56.95	351.50	1.98	-54.97
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1	REAL300017445967	0	40	-1.0	-58.10	331.25	1.29	-56.81
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1Cl	REAL300017445968	0	34	-1.0	-49.83	302.77	-0.06	-49.89
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CC(O)C1	REAL300017445969	0	34	-1.0	-51.17	312.53	0.21	-50.96
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1C	REAL300017445970	0	37	-1.0	-52.14	306.82	0.12	-52.02
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=CC=C1OC(C)C	REAL300017445971	0	43	-1.0	-52.00	346.64	1.62	-50.38
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C(C)=C1	REAL300017445972	0	37	-1.0	-60.47	306.25	0.26	-60.21
COCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1	REAL300017445973	0	41	-1.0	-60.69	343.37	-0.24	-60.93
COCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1C	REAL300017445974	0	44	-1.0	-60.81	363.60	0.51	-60.30
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2F)CC(O)C1	REAL300017445975	0	33	-1.0	-47.18	285.95	0.70	-46.48
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445976	0	41	-1.0	-66.15	348.01	-0.25	-66.40
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)CC(O)C1	REAL300017445977	0	45	-1.0	-56.51	364.98	-0.09	-56.60
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445978	0	40	-1.0	-67.15	329.20	-0.10	-67.25
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C(Br)=C1	REAL300017445979	0	33	-1.0	-42.63	296.70	1.02	-41.61
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445980	0	36	-1.0	-43.19	332.73	-2.29	-45.48
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445981	0	36	-1.0	-42.80	321.90	1.57	-41.23
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1Cl	REAL300017445982	0	31	-1.0	-47.06	293.46	0.88	-46.18
CC1=CC(Br)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445983	0	33	-1.0	-58.14	298.49	1.56	-56.58
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1C	REAL300017445984	0	38	-1.0	-56.29	307.86	2.93	-53.36
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445985	0	36	-1.0	-59.59	329.92	1.62	-57.97
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445986	0	39	-1.0	-69.71	337.05	-1.38	-71.09
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C(C(F)(F)F)=C1	REAL300017445987	0	34	-1.0	-53.85	303.53	2.09	-51.76
N#CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=CC=C1Cl	REAL300017445988	0	31	-1.0	-47.12	293.48	0.89	-46.23
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1	REAL300017445989	0	46	-1.0	-63.40	369.62	2.01	-61.39
O=C([O-])C1(NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)CC(O)C1	REAL300017445990	0	42	-1.0	-58.37	366.95	-1.76	-60.13
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1	REAL300017445991	0	38	-1.0	-58.99	334.54	-3.44	-62.43
CC(=O)NCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)S1	REAL300017445992	0	40	-1.0	-61.29	352.62	-0.91	-62.20
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)O1	REAL300017445993	0	33	-1.0	-59.88	298.87	-0.74	-60.62
CC1=NC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)S1	REAL300017445994	0	32	-1.0	-42.47	282.63	-1.83	-44.30
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC(O)C1	REAL300017445995	1	32	-1.0	-68.05	282.29	1.86	-66.19
O=C([O-])C1(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CC(O)C1	REAL300017445996	0	33	-1.0	-58.50	316.32	2.14	-56.36
CCOC(=O)C1=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C(C)N1	REAL300017445997	0	43	-1.0	-41.36	355.03	0.13	-41.23
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC=C2Br)CC(O)C1	REAL300017445998	0	30	-1.0	-57.43	270.36	0.87	-56.56
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC(O)C3)S2)=CS1	REAL300017445999	0	36	-1.0	-53.13	336.31	0.71	-52.42
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)CC(O)C1	REAL300017446000	0	50	-1.0	-55.54	392.50	4.01	-51.53
CCC(CC)(NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300017449158	0	40	-1.0	-57.79	319.27	5.73	-52.06
CCC(CC)(NS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300017449159	0	38	-1.0	-41.74	307.42	4.85	-36.89
CCC(CC)(NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017449160	0	40	-1.0	-38.74	330.13	4.36	-34.38
CCC(CC)(NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300017449161	0	46	-1.0	-42.13	350.13	5.13	-37.00
CCC(CC)(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300017449162	0	52	-1.0	-38.23	348.71	5.96	-32.27
CCC(CC)(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300017449163	0	42	-1.0	-49.53	332.65	4.88	-44.65
CCC(CC)(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449164	0	42	-1.0	-49.62	330.08	5.68	-43.94
CCC(CC)(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300017449165	0	45	-1.0	-55.33	343.64	2.51	-52.82
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300017449166	0	48	-1.0	-45.15	392.94	5.33	-39.82
CCCN1C=NC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449167	0	40	-1.0	-45.31	315.79	4.57	-40.74
CCC(CC)(NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017449168	0	35	-1.0	-35.09	313.74	4.94	-30.15
CCC(CC)(NS(=O)(=O)C1=C(C#N)SC=C1)C(=O)[O-]	REAL300017449169	0	32	-1.0	-38.07	277.83	3.32	-34.75
CCC(CC)(NS(=O)(=O)CC1CCC(F)CC1)C(=O)[O-]	REAL300017449170	0	43	-1.0	-40.84	315.42	4.88	-35.96
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017449171	0	37	-1.0	-37.83	299.94	4.74	-33.09
CCC(CC)(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300017449172	0	40	-1.0	-47.76	312.58	4.61	-43.15
CCC(CC)(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300017449173	0	43	-1.0	-56.88	348.72	5.45	-51.43
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017449174	0	40	-1.0	-54.14	338.61	5.19	-48.95
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300017449175	0	43	-1.0	-63.00	344.22	5.41	-57.59
CCC(CC)(NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017449176	0	40	-1.0	-57.31	325.24	6.18	-51.13
CCC(CC)(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017449177	0	37	-1.0	-56.65	312.47	5.51	-51.14
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300017449178	0	34	-1.0	-35.60	301.93	4.72	-30.88
CCC(CC)(NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017449179	0	41	-1.0	-49.31	319.90	1.03	-48.28
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300017449180	0	59	-1.0	-54.29	447.55	9.06	-45.23
CCC(CC)(NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300017449181	0	49	-1.0	-56.49	375.81	6.51	-49.98
CCC1CCN(S(=O)(=O)NC(CC)(CC)C(=O)[O-])CC1	REAL300017449182	0	45	-1.0	-38.75	315.96	4.87	-33.88
CCC(CC)(NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017449183	0	40	-1.0	-38.66	319.04	5.35	-33.31
CCC(CC)(NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300017449184	0	40	-1.0	-43.10	318.20	5.32	-37.78
CCC(CC)(NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017449185	0	40	-1.0	-41.31	325.30	5.65	-35.66
CCC(CC)(NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300017449186	0	38	-1.0	-38.98	323.61	4.64	-34.34
CCC(CC)(NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300017449187	0	49	-1.0	-50.14	375.60	2.92	-47.22
CCC(CC)(NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300017449188	0	45	-1.0	-42.39	357.29	4.31	-38.08
CCC(CC)(NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300017449189	0	41	-1.0	-40.07	334.81	6.09	-33.98
CCC(CC)(NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-]	REAL300017449190	0	43	-1.0	-55.62	307.44	2.23	-53.39
CCC(CC)(NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017449191	0	37	-1.0	-55.74	314.47	5.57	-50.17
CCC(C)OC1=CC=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449192	0	47	-1.0	-54.95	358.32	5.79	-49.16
CCC(CC)(NS(=O)(=O)CC(C)CC(F)(F)F)C(=O)[O-]	REAL300017449193	0	39	-1.0	-58.85	304.56	4.45	-54.40
CCC(CC)(NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C(=O)[O-]	REAL300017449194	0	41	-1.0	-57.30	327.29	5.68	-51.62
CCC(CC)(NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300017449195	0	46	-1.0	-62.87	354.92	3.75	-59.12
CCC(CC)(NS(=O)(=O)C1=CC=C(F)C=C1OC)C(=O)[O-]	REAL300017449196	0	38	-1.0	-55.84	297.38	3.96	-51.88
CCC(CC)(NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017449197	0	40	-1.0	-43.42	326.11	3.28	-40.14
CCC1=NC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=CN1CC1CC1	REAL300017449198	0	47	-1.0	-54.85	365.68	6.10	-48.75
CCC(CC)(NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300017449199	0	45	-1.0	-44.93	347.85	4.10	-40.83
CCC(CC)(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300017449200	0	37	-1.0	-52.39	305.80	3.59	-48.80
CCC(CC)(NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300017449201	0	37	-1.0	-65.08	317.07	3.84	-61.24
CCCOC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1C(C)C	REAL300017449202	0	53	-1.0	-56.45	394.20	6.99	-49.46
CCC(CC)(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017449203	0	42	-1.0	-40.92	329.57	6.14	-34.78
CCC(CC)(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300017449204	0	41	-1.0	-53.25	310.82	4.04	-49.21
CCC(CC)(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300017449205	0	47	-1.0	-41.67	367.12	6.16	-35.51
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300017449206	0	48	-1.0	-42.12	383.18	7.02	-35.10
CCC(CC)(NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300017449207	0	44	-1.0	-39.84	349.03	4.97	-34.87
CCC(CC)(NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300017449208	0	46	-1.0	-58.04	346.80	5.38	-52.66
CCC(CC)(NS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300017449209	0	42	-1.0	-53.64	349.90	3.00	-50.64
CCC(CC)(NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300017449210	0	46	-1.0	-48.36	363.45	6.95	-41.41
CCC(CC)(NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300017449211	0	45	-1.0	-60.02	352.42	3.18	-56.84
CCC(CC)(NS(=O)(=O)CC1(C(F)F)CCCC1)C(=O)[O-]	REAL300017449212	0	43	-1.0	-42.71	314.15	5.13	-37.58
CCOC1(CS(=O)(=O)NC(CC)(CC)C(=O)[O-])CCOCC1	REAL300017449213	0	48	-1.0	-59.56	343.38	2.91	-56.65
CCOC(CS(=O)(=O)NC(CC)(CC)C(=O)[O-])C1CC1	REAL300017449214	0	44	-1.0	-40.44	331.80	4.24	-36.20
CCC(CC)(NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017449215	0	40	-1.0	-54.41	328.29	4.75	-49.66
CCC(CC)(NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300017449216	0	45	-1.0	-60.53	355.72	5.61	-54.92
CCC(CC)(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300017449217	0	37	-1.0	-48.00	308.82	2.70	-45.30
CCC(CC)(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017449218	0	45	-1.0	-59.85	363.60	8.07	-51.78
CCC(CC)(NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300017449219	0	37	-1.0	-54.75	303.67	5.38	-49.37
CCC(CC)(NS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300017449220	0	37	-1.0	-56.81	297.60	5.27	-51.54
CCC(CC)(NS(=O)(=O)C1=CC=CC(F)=C1C(=O)OC)C(=O)[O-]	REAL300017449221	0	40	-1.0	-59.52	319.72	5.19	-54.33
CCC(CC)(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300017449222	0	42	-1.0	-40.66	323.83	1.29	-39.37
CCC(CC)(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300017449223	0	38	-1.0	-39.99	315.20	3.55	-36.44
CCC(CC)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300017449224	0	40	-1.0	-39.09	319.99	4.38	-34.71
CCC(CC)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300017449225	0	40	-1.0	-43.56	328.29	5.94	-37.62
CCC(CC)(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300017449226	0	41	-1.0	-41.00	325.58	1.16	-39.84
CCC(CC)(NS(=O)(=O)C1=C(C)N(CC2CC2)N=C1C)C(=O)[O-]	REAL300017449227	0	47	-1.0	-51.81	353.56	5.17	-46.64
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300017449228	0	41	-1.0	-59.78	331.57	4.68	-55.10
CCC(CC)(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017449229	0	42	-1.0	-58.86	342.15	6.48	-52.38
CCC(CC)(NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300017449230	0	34	-1.0	-49.31	294.43	4.87	-44.44
CCC(CC)(NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300017449231	0	37	-1.0	-60.07	304.28	5.12	-54.95
CCC(CC)(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300017449232	0	41	-1.0	-52.59	329.81	1.54	-51.05
CCN1C(=O)OC2=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=CC=C21	REAL300017449233	0	43	-1.0	-43.00	340.39	4.59	-38.41
CCC(CC)(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017449234	0	37	-1.0	-53.50	294.93	5.26	-48.24
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300017449235	0	41	-1.0	-42.86	318.20	4.14	-38.72
CCC(CC)(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300017449236	0	38	-1.0	-39.06	315.62	3.64	-35.42
CCC(CC)(NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017449237	0	37	-1.0	-62.27	333.76	1.29	-60.98
CCC(CC)(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300017449238	0	37	-1.0	-53.18	310.46	3.03	-50.15
CCC(CC)(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300017449239	0	45	-1.0	-42.26	341.88	4.88	-37.38
CCC(CC)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017449240	0	42	-1.0	-38.18	342.00	0.42	-37.76
CCC(CC)(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300017449241	0	45	-1.0	-56.37	366.77	1.69	-54.68
CCC(=O)NCC1=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=CC=C1OC	REAL300017449242	0	51	-1.0	-61.16	397.62	3.21	-57.95
CCC1=CC=C(CS(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300017449243	0	43	-1.0	-41.42	334.02	5.93	-35.49
CCC(CC)(NS(=O)(=O)C1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300017449244	0	38	-1.0	-59.03	309.81	3.98	-55.05
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300017449245	0	49	-1.0	-42.66	379.46	4.12	-38.54
CCC(CC)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300017449246	0	43	-1.0	-66.99	344.93	2.36	-64.63
CCC(CC)(NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300017449247	0	36	-1.0	-52.12	311.62	3.91	-48.21
CCC(CC)(NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300017449248	0	39	-1.0	-50.30	324.33	5.10	-45.20
CCC(CC)(NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300017449249	0	39	-1.0	-68.51	318.55	4.95	-63.56
CCC(CC)(NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300017449250	0	35	-1.0	-34.46	306.19	4.58	-29.88
CCOC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1Br	REAL300017449251	0	41	-1.0	-39.74	337.47	4.56	-35.18
CCC(CC)(NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017449252	0	48	-1.0	-61.53	385.92	3.73	-57.80
CCC(CC)(NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017449253	0	37	-1.0	-61.28	303.05	5.10	-56.18
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449254	0	47	-1.0	-56.51	374.39	5.57	-50.94
CCC(CC)(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300017449255	0	43	-1.0	-55.09	305.43	2.78	-52.31
CCC(CC)(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300017449256	0	44	-1.0	-42.67	338.63	4.60	-38.07
CCC(CC)(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300017449257	0	50	-1.0	-40.69	377.03	6.00	-34.69
CCC(CC)(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300017449258	0	48	-1.0	-40.71	359.47	5.87	-34.84
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300017449259	0	47	-1.0	-54.42	360.16	5.86	-48.56
CCCOC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300017449260	0	44	-1.0	-54.39	340.06	5.16	-49.23
CCC(CC)(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300017449261	0	38	-1.0	-39.52	309.98	3.49	-36.03
CCC(CC)(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017449262	0	38	-1.0	-53.57	322.37	4.31	-49.26
CCC(CC)(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300017449263	0	41	-1.0	-41.46	315.28	3.72	-37.74
CCC(CC)(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300017449264	0	47	-1.0	-54.21	358.32	5.81	-48.40
CCC(CC)(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300017449265	0	41	-1.0	-42.79	315.69	3.92	-38.87
CCC(CC)(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300017449266	0	45	-1.0	-56.92	352.18	3.63	-53.29
CCC(CC)(NS(=O)(=O)C1=CC=C(OCCOC)C(C)=C1)C(=O)[O-]	REAL300017449267	0	48	-1.0	-44.70	369.52	3.87	-40.83
CCC(CC)(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300017449268	0	37	-1.0	-44.61	295.74	4.58	-40.03
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449269	0	45	-1.0	-46.24	355.16	3.30	-42.94
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300017449270	0	49	-1.0	-57.40	374.30	3.60	-53.80
CCC(CC)(NS(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017449271	0	44	-1.0	-60.44	340.39	3.95	-56.49
CCC(CC)(NS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300017449272	0	37	-1.0	-40.10	307.73	5.09	-35.01
CCC(CC)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300017449273	0	40	-1.0	-41.02	343.97	1.80	-39.22
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017449274	0	40	-1.0	-42.61	329.02	5.92	-36.69
CCC(CC)(NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300017449275	0	35	-1.0	-34.78	300.67	4.43	-30.35
CCC(CC)(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300017449276	0	37	-1.0	-41.82	311.23	5.59	-36.23
CCC(CC)(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300017449277	0	42	-1.0	-44.20	314.72	6.23	-37.97
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl)C(=O)[O-]	REAL300017449278	0	40	-1.0	-43.17	338.02	4.93	-38.24
CCC(CC)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300017449279	0	43	-1.0	-47.08	349.89	2.46	-44.62
CCC(CC)(NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300017449280	0	38	-1.0	-52.37	305.85	5.76	-46.61
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300017449281	0	35	-1.0	-54.14	302.84	4.86	-49.28
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300017449282	0	50	-1.0	-54.09	378.51	5.70	-48.39
CCC(CC)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300017449283	0	46	-1.0	-57.25	371.47	1.82	-55.43
CCC(CC)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300017449284	0	42	-1.0	-45.77	341.77	-0.16	-45.93
CCC(CC)(NS(=O)(=O)C1=CC=C(CCNC(C)=O)S1)C(=O)[O-]	REAL300017449285	0	44	-1.0	-63.87	362.25	2.99	-60.88
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017449286	0	37	-1.0	-42.50	308.26	2.70	-39.80
CCC(CC)(NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300017449287	0	36	-1.0	-52.90	292.06	2.60	-50.30
CCC(CC)(NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449288	1	36	-1.0	-64.75	291.97	5.87	-58.88
CCC(CC)(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300017449289	0	37	-1.0	-56.36	325.79	6.03	-50.33
CCOC(=O)C1=C(C)C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C(C)N1	REAL300017449290	0	47	-1.0	-50.89	362.38	4.59	-46.30
CCC(CC)(NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017449291	0	34	-1.0	-59.33	287.93	5.00	-54.33
CCC(CC)(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300017449292	0	40	-1.0	-43.52	345.46	4.34	-39.18
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300017449293	0	54	-1.0	-40.71	399.75	7.29	-33.42
CCC(CC)(NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017449294	0	44	-1.0	-58.30	363.86	3.63	-54.67
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C)C(=O)[O-]	REAL300017449295	0	43	-1.0	-66.47	332.00	5.30	-61.17
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449296	0	36	-1.0	-54.73	296.97	5.83	-48.90
CCC(CC)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300017449297	0	42	-1.0	-43.95	331.86	3.25	-40.70
CCC(CC)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300017449298	0	45	-1.0	-59.25	335.04	3.84	-55.41
CCC(CC)(NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449299	1	36	-1.0	-52.76	306.74	6.36	-46.40
CCC(CC)(NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300017449300	0	42	-1.0	-64.97	327.37	5.62	-59.35
CCC(CC)(NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300017449301	0	37	-1.0	-59.42	307.90	4.83	-54.59
CCC(CC)(NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300017449302	0	39	-1.0	-55.87	308.78	0.06	-55.81
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300017449303	0	37	-1.0	-41.80	306.71	5.49	-36.31
CCOC(=O)C1CCCN1S(=O)(=O)NC(CC)(CC)C(=O)[O-]	REAL300017449304	0	45	-1.0	-59.37	331.66	4.48	-54.89
CCC(CC)(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300017449305	0	42	-1.0	-42.97	328.36	1.20	-41.77
CCC(CC)(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300017449306	0	44	-1.0	-53.61	318.13	4.59	-49.02
CCC(CC)(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300017449307	0	42	-1.0	-41.65	340.74	3.67	-37.98
CCC(CC)(NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300017449308	0	43	-1.0	-59.35	347.22	5.70	-53.65
CCC(CC)(NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300017449309	0	45	-1.0	-58.03	333.46	3.83	-54.20
CCC(CC)(NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300017449310	0	45	-1.0	-57.07	342.06	4.19	-52.88
CCC(CC)(NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017449311	0	43	-1.0	-45.58	345.26	5.21	-40.37
CCOC(=O)C1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])O1	REAL300017449312	0	40	-1.0	-42.74	330.12	3.62	-39.12
CCC(CC)(NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300017449313	0	47	-1.0	-56.84	374.02	5.21	-51.63
CCC(CC)(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300017449314	0	44	-1.0	-58.07	326.23	4.77	-53.30
CCC(CC)(NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300017449315	0	38	-1.0	-66.35	306.26	4.50	-61.85
CCOC(=O)CCCS(=O)(=O)NC(CC)(CC)C(=O)[O-]	REAL300017449316	0	42	-1.0	-63.95	331.33	4.54	-59.41
CCC(CC)(NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017449317	0	37	-1.0	-55.63	298.58	6.15	-49.48
CCC(CC)(NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449318	0	36	-1.0	-54.38	301.54	5.93	-48.45
CCC(CC)(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449319	0	39	-1.0	-42.90	293.89	5.87	-37.03
CCC(CC)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300017449320	0	36	-1.0	-34.67	313.80	5.28	-29.39
CCC(CC)(NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017449321	0	31	-1.0	-43.96	279.57	3.79	-40.17
CCC(CC)(NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300017449322	0	38	-1.0	-41.76	310.62	4.43	-37.33
CCC(CC)(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300017449323	0	42	-1.0	-53.33	315.65	5.30	-48.03
CCC(CC)(NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300017449324	0	36	-1.0	-37.40	302.16	3.19	-34.21
CCC(CC)(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300017449325	0	42	-1.0	-41.68	332.98	3.22	-38.46
CCC(CC)(NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017449326	0	33	-1.0	-49.69	292.87	3.21	-46.48
CCC(CC)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300017449327	0	36	-1.0	-36.11	301.37	4.71	-31.40
CCC(CC)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017449328	0	36	-1.0	-47.12	310.98	5.18	-41.94
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC(CC)(CC)C(=O)[O-]	REAL300017449329	0	43	-1.0	-45.27	331.76	2.38	-42.89
CCN1C=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017449330	0	39	-1.0	-53.41	312.23	4.28	-49.13
CCC(CC)(NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449331	0	36	-1.0	-44.89	301.93	5.47	-39.42
CCC(CC)(NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017449332	0	36	-1.0	-49.14	297.45	4.68	-44.46
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300017449333	0	41	-1.0	-39.13	336.11	4.36	-34.77
CCC(CC)(NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449334	0	36	-1.0	-56.97	303.57	5.98	-50.99
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017449335	0	48	-1.0	-42.01	376.44	6.95	-35.06
CCC(CC)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017449336	0	42	-1.0	-60.00	341.89	0.78	-59.22
CCC(=O)C1=CC=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449337	0	42	-1.0	-45.24	327.47	4.90	-40.34
CCOC(=O)N1CCN(S(=O)(=O)NC(CC)(CC)C(=O)[O-])CC1	REAL300017449338	0	47	-1.0	-55.26	342.71	2.67	-52.59
CCC(CC)(NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300017449339	0	43	-1.0	-56.07	346.43	5.27	-50.80
CCC(CC)(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017449340	0	44	-1.0	-42.67	351.80	5.11	-37.56
CCC(CC)(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300017449341	0	37	-1.0	-71.85	295.80	3.25	-68.60
CCC(CC)(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300017449342	0	56	-1.0	-57.40	396.96	7.39	-50.01
CCC(CC)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017449343	0	42	-1.0	-44.43	342.10	0.30	-44.13
CCC(CC)(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017449344	0	37	-1.0	-40.25	296.86	4.62	-35.63
CCC(CC)(NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017449345	0	40	-1.0	-64.54	332.44	1.73	-62.81
CCOC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C2=CC=CC=C12	REAL300017449346	0	47	-1.0	-46.05	360.09	6.42	-39.63
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CC)(CC)C(=O)[O-]	REAL300017449347	0	44	-1.0	-61.74	334.63	5.46	-56.28
CCC(CC)(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300017449348	0	39	-1.0	-62.38	314.87	4.23	-58.15
CCC(CC)(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017449349	0	41	-1.0	-45.79	326.49	4.65	-41.14
CCC(CC)(NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017449350	0	36	-1.0	-39.26	310.09	4.80	-34.46
CCC(CC)(NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300017449351	0	35	-1.0	-56.50	287.33	4.21	-52.29
CCOCCOC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300017449352	0	48	-1.0	-56.81	374.04	4.59	-52.22
CCCCCOC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300017449353	0	50	-1.0	-40.57	380.96	6.26	-34.31
CCC(CC)(NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449354	0	36	-1.0	-58.22	299.62	6.37	-51.85
CCC(CC)(NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017449355	0	40	-1.0	-51.49	326.74	4.81	-46.68
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017449356	0	40	-1.0	-51.75	343.69	5.59	-46.16
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC)C(=O)[O-]	REAL300017449357	0	44	-1.0	-48.41	354.08	4.50	-43.91
CCC(CC)(NS(=O)(=O)C1=CC=C(CC(=O)OC)S1)C(=O)[O-]	REAL300017449358	0	40	-1.0	-42.47	335.38	4.39	-38.08
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)OC)=CS1)C(=O)[O-]	REAL300017449359	0	37	-1.0	-40.16	312.18	3.38	-36.78
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C)C(=O)[O-]	REAL300017449360	0	46	-1.0	-65.95	349.96	5.82	-60.13
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017449361	0	40	-1.0	-50.83	334.72	5.18	-45.65
CCC(CC)(NS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017449362	0	43	-1.0	-41.70	336.17	4.85	-36.85
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F)C(=O)[O-]	REAL300017449363	0	40	-1.0	-63.84	324.23	4.77	-59.07
CCC(CC)(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300017449364	0	44	-1.0	-58.36	317.34	6.47	-51.89
CCC(CC)(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017449365	0	40	-1.0	-44.45	315.58	5.62	-38.83
CCC(CC)(NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300017449366	0	33	-1.0	-37.54	280.86	2.40	-35.14
CCC(CC)(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300017449367	0	38	-1.0	-37.71	321.60	5.14	-32.57
CCC(CC)(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300017449368	0	39	-1.0	-39.88	300.41	2.93	-36.95
CCC(CC)(NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300017449369	0	39	-1.0	-49.92	317.18	-0.57	-50.49
CCC(CC)(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300017449370	0	48	-1.0	-53.92	379.69	6.14	-47.78
CCC(CC)(NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300017449371	0	43	-1.0	-46.10	331.32	4.32	-41.78
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC)C(=O)[O-]	REAL300017449372	0	39	-1.0	-52.92	317.84	3.92	-49.00
CCC(CC)(NS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300017449373	0	37	-1.0	-51.33	298.71	4.95	-46.38
CCC(CC)(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300017449374	0	41	-1.0	-60.80	331.39	5.04	-55.76
CCC(CC)(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300017449375	0	46	-1.0	-42.77	355.17	5.16	-37.61
CCCCCCN1C=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C(=O)NC1=O	REAL300017449376	0	52	-1.0	-52.29	398.27	4.65	-47.64
CCC(CC)(NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300017449377	0	44	-1.0	-60.37	351.21	6.08	-54.29
CCC(CC)(NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300017449378	0	41	-1.0	-59.65	344.18	3.30	-56.35
CCC(CC)(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300017449379	0	41	-1.0	-44.65	331.22	-1.47	-46.12
CCC(CC)(NS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300017449380	0	37	-1.0	-40.97	299.89	4.75	-36.22
CCC(CC)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300017449381	0	39	-1.0	-58.70	321.13	5.67	-53.03
CCC(CC)(NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017449382	0	31	-1.0	-39.76	273.12	2.60	-37.16
CCC(CC)(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017449383	0	40	-1.0	-54.20	322.92	5.65	-48.55
CCC(CC)(NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017449384	0	31	-1.0	-51.84	290.56	4.32	-47.52
CCC(CC)(NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1)C(=O)[O-]	REAL300017449385	0	37	-1.0	-53.38	311.79	5.60	-47.78
CCC(CC)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300017449386	0	37	-1.0	-53.27	322.11	6.04	-47.23
CCC(CC)(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017449387	0	40	-1.0	-39.80	329.71	6.33	-33.47
CCC(CC)(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017449388	0	37	-1.0	-41.83	328.12	5.78	-36.05
CCC(CC)(NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300017449389	0	40	-1.0	-43.28	315.96	6.56	-36.72
CCC(CC)(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017449390	0	40	-1.0	-45.50	329.92	6.88	-38.62
CCC(CC)(NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017449391	0	45	-1.0	-57.01	371.24	3.05	-53.96
CCOC(=O)C1=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=CN1C	REAL300017449392	0	44	-1.0	-62.22	349.52	5.11	-57.11
CCOC(=O)C1CC2=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=CC=C2O1	REAL300017449393	0	48	-1.0	-56.87	380.01	6.30	-50.57
CCC(CC)(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017449394	0	40	-1.0	-40.47	329.52	1.17	-39.30
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300017449395	0	43	-1.0	-68.84	352.23	3.72	-65.12
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300017449396	0	47	-1.0	-45.00	372.60	5.24	-39.76
CCC(CC)(NS(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1)C(=O)[O-]	REAL300017449397	0	40	-1.0	-48.77	327.24	6.25	-42.52
CCC(CC)(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300017449398	0	45	-1.0	-43.27	367.38	0.85	-42.42
CCC(CC)(NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017449399	1	35	-1.0	-55.86	291.60	4.62	-51.24
CCC(CC)(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300017449400	0	45	-1.0	-54.20	341.19	4.70	-49.50
CCC(CC)(NS(=O)(=O)C1=CN=C(Cl)N1C)C(=O)[O-]	REAL300017449401	0	34	-1.0	-45.47	274.10	3.12	-42.35
CCC(CC)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300017449402	0	39	-1.0	-38.81	321.70	5.61	-33.20
CCC(CC)(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300017449403	0	38	-1.0	-51.71	322.59	5.59	-46.12
CCC(CC)(NS(=O)(=O)C1=CN(C)C(Cl)=N1)C(=O)[O-]	REAL300017449404	0	34	-1.0	-44.95	288.65	2.63	-42.32
CCC(CC)(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300017449405	0	37	-1.0	-41.58	310.17	4.55	-37.03
CCC(CC)(NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017449406	0	46	-1.0	-56.26	369.75	6.81	-49.45
CCC(CC)(NS(=O)(=O)C1=CC(N(C)C)=CC=C1Br)C(=O)[O-]	REAL300017449407	0	42	-1.0	-42.37	337.80	4.81	-37.56
CCC(CC)(NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300017449408	0	39	-1.0	-43.24	330.86	3.64	-39.60
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300017449409	0	40	-1.0	-57.47	322.49	5.87	-51.60
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CC)(CC)C(=O)[O-]	REAL300017449410	0	46	-1.0	-51.91	336.50	4.19	-47.72
CCC1=NOC2=NC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C12	REAL300017449411	0	41	-1.0	-43.47	325.06	1.24	-42.23
CCC(CC)(NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017449412	0	39	-1.0	-37.25	317.46	4.95	-32.30
CCC(CC)(NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300017449413	0	40	-1.0	-57.22	312.17	5.42	-51.80
CCC(CC)(NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300017449414	0	37	-1.0	-72.40	304.82	3.91	-68.49
CCC(CC)(NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300017449415	0	37	-1.0	-56.07	324.81	6.02	-50.05
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300017449416	0	42	-1.0	-73.19	346.78	2.25	-70.94
CCC(CC)(NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017449417	0	33	-1.0	-36.96	293.02	3.12	-33.84
CCC(CC)(NS(=O)(=O)C1CCCCC1C(=O)OC)C(=O)[O-]	REAL300017449418	0	46	-1.0	-63.71	329.50	5.44	-58.27
CCC(CC)(NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300017449419	0	47	-1.0	-44.01	363.52	6.30	-37.71
CCC(CC)(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300017449420	0	41	-1.0	-63.87	314.20	4.76	-59.11
CCC(CC)(NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300017449421	0	38	-1.0	-56.54	327.45	5.77	-50.77
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300017449422	0	40	-1.0	-50.61	334.99	2.15	-48.46
CCC(CC)(NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300017449423	0	38	-1.0	-39.54	323.61	4.65	-34.89
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300017449424	0	43	-1.0	-44.01	344.15	7.13	-36.88
CCC1=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C(C(=O)OC)O1	REAL300017449425	0	43	-1.0	-57.92	337.29	4.26	-53.66
CCC(CC)(NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300017449426	0	51	-1.0	-62.41	378.97	5.92	-56.49
CCC(CC)(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300017449427	0	41	-1.0	-42.20	315.65	3.91	-38.29
CCC(CC)(NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017449428	0	54	-1.0	-45.75	387.85	5.48	-40.27
CCC(CC)(NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017449429	0	48	-1.0	-38.74	358.87	3.92	-34.82
CCC(CC)(NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300017449430	0	45	-1.0	-63.77	364.32	4.83	-58.94
CCC(CC)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300017449431	0	42	-1.0	-53.46	333.56	6.01	-47.45
CCC(CC)(NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300017449432	0	44	-1.0	-63.00	323.88	5.16	-57.84
CCC(CC)(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300017449433	0	46	-1.0	-39.24	317.05	5.27	-33.97
CCC(CC)(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300017449434	0	43	-1.0	-58.39	320.01	5.21	-53.18
CCC(CC)(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300017449435	0	37	-1.0	-52.82	305.58	2.82	-50.00
CCC(CC)(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300017449436	0	38	-1.0	-51.75	302.87	3.54	-48.21
CCC(CC)(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300017449437	0	45	-1.0	-63.19	352.55	4.18	-59.01
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300017449438	0	48	-1.0	-64.23	379.87	5.21	-59.02
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300017449439	0	43	-1.0	-59.59	312.69	5.84	-53.75
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300017449440	0	48	-1.0	-42.63	385.45	7.45	-35.18
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=CC=C2O1	REAL300017449441	0	49	-1.0	-41.49	388.28	6.27	-35.22
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449442	0	46	-1.0	-66.29	353.87	6.23	-60.06
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017449443	0	34	-1.0	-36.45	305.45	4.83	-31.62
CCC(CC)(NS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300017449444	0	34	-1.0	-37.51	295.01	4.02	-33.49
CCC(CC)(NS(=O)(=O)C1=CC=C(OC)C=C1F)C(=O)[O-]	REAL300017449445	0	38	-1.0	-42.11	302.74	3.35	-38.76
CCC(CC)(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449446	0	42	-1.0	-57.71	316.43	6.83	-50.88
CCC(CC)(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300017449447	0	40	-1.0	-57.14	326.97	5.96	-51.18
CCC(CC)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017449448	0	44	-1.0	-50.77	348.36	6.70	-44.07
CCC(CC)(NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300017449449	0	42	-1.0	-56.94	334.19	2.34	-54.60
CCC(CC)(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300017449450	0	42	-1.0	-56.08	319.34	4.47	-51.61
CCC(CC)(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300017449451	0	40	-1.0	-54.34	312.55	4.66	-49.68
CCC(CC)(NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017449453	0	37	-1.0	-41.24	296.66	4.49	-36.75
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017449454	0	37	-1.0	-49.31	323.34	5.64	-43.67
CCC(CC)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017449455	0	37	-1.0	-37.52	315.49	4.80	-32.72
CCC(CC)(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300017449456	0	37	-1.0	-54.41	310.58	5.42	-48.99
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CC)(CC)C(=O)[O-]	REAL300017449457	0	45	-1.0	-63.92	331.91	2.27	-61.65
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300017449458	0	38	-1.0	-42.89	303.89	4.97	-37.92
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017449459	0	45	-1.0	-68.96	343.46	4.09	-64.87
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017449460	0	46	-1.0	-67.89	354.33	3.52	-64.37
CCC(CC)(NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017449461	0	40	-1.0	-37.92	327.93	4.45	-33.47
CCC(CC)(NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017449462	0	44	-1.0	-39.66	355.76	3.03	-36.63
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300017449463	0	44	-1.0	-56.54	345.71	4.55	-51.99
CCC(CC)(NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300017449464	0	37	-1.0	-54.64	303.39	5.31	-49.33
CCC(CC)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017449465	0	42	-1.0	-64.14	321.20	5.83	-58.31
CCC(CC)(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017449466	0	42	-1.0	-64.12	332.44	5.55	-58.57
CCC(CC)(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017449467	0	40	-1.0	-65.40	305.30	0.46	-64.94
CCC(CC)(NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017449468	0	44	-1.0	-57.34	346.86	4.97	-52.37
CCC(CC)(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017449469	0	39	-1.0	-61.47	310.75	4.15	-57.32
CCC(CC)(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017449470	0	38	-1.0	-57.98	300.29	3.53	-54.45
CCOC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C(C)=C1	REAL300017449471	0	44	-1.0	-42.82	337.54	4.84	-37.98
CCC(CC)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300017449472	0	42	-1.0	-61.82	343.76	0.34	-61.48
CCC(CC)(NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-]	REAL300017449473	0	36	-1.0	-53.56	294.56	-0.93	-54.49
CCC(CC)(NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300017449474	0	43	-1.0	-63.05	331.71	5.74	-57.31
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017449475	0	38	-1.0	-45.28	309.29	4.35	-40.93
CCC(CC)(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300017449476	0	38	-1.0	-40.22	305.42	4.69	-35.53
CCCOC(=O)C1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300017449477	0	46	-1.0	-39.35	363.31	6.12	-33.23
CCC(=O)NC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300017449478	0	44	-1.0	-44.59	341.60	3.43	-41.16
CCC(CC)(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017449479	0	40	-1.0	-60.32	331.60	6.04	-54.28
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(CC)(CC)C(=O)[O-]	REAL300017449480	0	45	-1.0	-59.49	339.90	6.14	-53.35
CCN1C=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])N=C1C	REAL300017449481	0	40	-1.0	-58.42	311.89	3.72	-54.70
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017449482	0	33	-1.0	-39.09	297.31	3.17	-35.92
CCC(CC)(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017449483	0	40	-1.0	-45.51	314.31	3.59	-41.92
CCC(CC)(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300017449484	0	39	-1.0	-46.65	308.36	4.48	-42.17
CCC(CC)(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017449485	0	46	-1.0	-57.17	360.56	6.15	-51.02
CCC(CC)(NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017449486	0	34	-1.0	-54.39	275.45	4.19	-50.20
CCC(CC)(NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017449487	0	34	-1.0	-39.07	298.06	4.41	-34.66
CCC(CC)(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017449488	0	40	-1.0	-39.79	320.12	5.20	-34.59
CCC(CC)(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017449489	0	40	-1.0	-57.65	341.10	5.53	-52.12
CCC(CC)(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300017449490	0	42	-1.0	-43.28	330.79	3.31	-39.97
CCC(CC)(NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017449491	0	37	-1.0	-40.10	317.06	5.20	-34.90
CCC(CC)(NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300017449492	0	38	-1.0	-41.41	303.51	0.51	-40.90
CCC(CC)(NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017449493	0	43	-1.0	-57.43	347.62	7.01	-50.42
CCC(CC)(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300017449494	0	41	-1.0	-56.51	321.62	3.77	-52.74
CCC(CC)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017449495	0	36	-1.0	-38.20	314.54	5.08	-33.12
CCC(CC)(NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300017449496	0	43	-1.0	-45.01	367.18	5.02	-39.99
CCC(CC)(NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017449497	0	40	-1.0	-62.43	312.96	5.43	-57.00
CCC(CC)(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017449498	0	37	-1.0	-42.81	303.99	5.00	-37.81
CCC(CC)(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017449499	0	46	-1.0	-70.96	362.69	2.67	-68.29
CCC(CC)(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017449500	0	41	-1.0	-37.47	337.13	4.29	-33.18
CCC(CC)(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017449501	0	34	-1.0	-37.50	304.56	4.90	-32.60
CCC(CC)(NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017449502	0	42	-1.0	-38.62	334.15	1.00	-37.62
CCOC(=O)C1=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=CC=C1F	REAL300017449533	0	43	-1.0	-56.02	343.93	5.54	-50.48
CCC(CC)(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017449534	0	42	-1.0	-57.54	322.92	4.53	-53.01
CCC(CC)(NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017449535	0	34	-1.0	-38.23	289.67	4.35	-33.88
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(CC)(CC)C(=O)[O-]	REAL300017449536	0	53	-1.0	-63.73	391.82	6.83	-56.90
CCC(CC)(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017449537	0	37	-1.0	-57.60	319.76	5.91	-51.69
CCC(CC)(NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017449538	0	35	-1.0	-35.12	301.75	4.88	-30.24
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300017449539	0	41	-1.0	-47.45	343.58	3.54	-43.91
CCC(CC)(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017449540	0	42	-1.0	-42.57	321.47	4.24	-38.33
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017449541	0	38	-1.0	-54.84	321.95	4.41	-50.43
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(CC)(CC)C(=O)[O-]	REAL300017449542	0	46	-1.0	-38.28	327.64	6.71	-31.57
CCC(CC)(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300017449543	0	46	-1.0	-51.12	354.06	2.76	-48.36
CCC(CC)(NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300017449544	0	37	-1.0	-40.75	312.58	3.35	-37.40
CCC(CC)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017449545	0	43	-1.0	-61.91	344.17	6.42	-55.49
CCC(CC)(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017449546	0	45	-1.0	-54.56	373.54	7.56	-47.00
CCC(CC)(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017449547	0	40	-1.0	-54.03	332.44	4.74	-49.29
CCC(CC)(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017449548	0	40	-1.0	-57.21	351.40	5.99	-51.22
CCC(CC)(NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300017449549	0	43	-1.0	-55.70	326.26	5.18	-50.52
CCC(CC)(NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017449550	0	36	-1.0	-48.76	312.34	5.23	-43.53
CCC(CC)(NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300017449551	0	38	-1.0	-50.60	319.11	4.61	-45.99
CCC(CC)(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300017449552	0	46	-1.0	-51.58	344.04	4.62	-46.96
CCOC(=O)N1CCC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])CC1	REAL300017449553	0	48	-1.0	-61.95	357.45	4.01	-57.94
CCC(CC)(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300017449554	0	43	-1.0	-57.61	338.86	3.03	-54.58
CCC(CC)(NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017449555	0	33	-1.0	-47.31	294.83	3.21	-44.10
CCC(CC)(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017449556	0	37	-1.0	-56.73	298.39	4.81	-51.92
CCC(CC)(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300017449557	0	37	-1.0	-52.06	292.66	2.71	-49.35
CCC(CC)(NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300017449558	0	38	-1.0	-53.50	293.13	3.99	-49.51
CCC(CC)(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017449559	0	42	-1.0	-42.97	318.30	4.26	-38.71
CCC(CC)(NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300017449560	0	38	-1.0	-59.42	306.84	3.82	-55.60
CCC(CC)(NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300017449561	0	43	-1.0	-58.83	345.98	7.01	-51.82
CCC(CC)(NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300017449562	0	43	-1.0	-61.07	344.01	5.54	-55.53
CCC(CC)(NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017449563	0	41	-1.0	-58.71	306.95	6.02	-52.69
CCC(CC)(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300017449564	0	44	-1.0	-44.45	346.58	5.34	-39.11
CCC(CC)(NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017449565	0	52	-1.0	-57.01	407.92	6.36	-50.65
CCC(CC)(NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017449566	0	52	-1.0	-45.64	403.61	5.93	-39.71
CCC(CC)(NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017449567	0	49	-1.0	-41.21	388.77	5.04	-36.17
CCC(CC)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300017449568	0	36	-1.0	-37.98	305.28	4.16	-33.82
CCC(CC)(NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017449569	0	45	-1.0	-56.28	343.37	4.66	-51.62
CCC(CC)(NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017449570	0	34	-1.0	-37.89	301.26	4.89	-33.00
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017449571	0	34	-1.0	-49.42	303.67	5.28	-44.14
CCC(CC)(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300017449572	0	44	-1.0	-59.22	326.53	5.65	-53.57
CCC(CC)(NS(=O)(=O)C1=CC=C(C#N)C(C)=C1)C(=O)[O-]	REAL300017449573	0	38	-1.0	-52.36	307.39	5.02	-47.34
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300017449574	0	40	-1.0	-40.65	325.04	4.37	-36.28
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300017449575	0	38	-1.0	-60.47	308.10	4.40	-56.07
CCC(CC)(NS(=O)(=O)C1=CC(OC)=CC=C1C)C(=O)[O-]	REAL300017449576	0	41	-1.0	-61.85	306.74	3.95	-57.90
CCC(CC)(NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017449577	0	35	-1.0	-34.70	304.96	4.53	-30.17
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300017449578	0	41	-1.0	-58.89	322.40	4.49	-54.40
CCC(CC)(NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300017449579	0	40	-1.0	-42.83	345.56	5.03	-37.80
CCC(CC)(NS(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1)C(=O)[O-]	REAL300017449580	0	41	-1.0	-56.47	329.43	3.14	-53.33
CCC(CC)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017449581	0	42	-1.0	-42.38	339.46	3.69	-38.69
CCC(CC)(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017449582	0	38	-1.0	-53.25	312.54	3.81	-49.44
CCC(CC)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017449583	0	37	-1.0	-37.10	310.02	4.73	-32.37
CCC(CC)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300017449584	0	45	-1.0	-47.55	357.63	0.65	-46.90
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=CC=C2S1	REAL300017449585	0	46	-1.0	-56.16	382.62	7.19	-48.97
CCC(CC)(NS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300017449586	0	38	-1.0	-63.16	308.78	5.22	-57.94
CCC(CC)(NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300017449587	0	38	-1.0	-40.06	314.45	3.92	-36.14
CCC(CC)(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017449588	0	39	-1.0	-51.03	321.24	-0.83	-51.86
CCC(CC)(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300017449589	0	40	-1.0	-43.77	306.94	3.22	-40.55
CCC(CC)(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300017449590	0	40	-1.0	-50.88	316.51	5.50	-45.38
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017449591	0	34	-1.0	-51.52	293.18	5.06	-46.46
CCC(CC)(NS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300017449592	0	40	-1.0	-50.96	295.06	5.36	-45.60
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017449593	0	34	-1.0	-37.31	303.04	4.92	-32.39
CCC(CC)(NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300017449594	0	44	-1.0	-61.38	341.87	1.11	-60.27
CCC(CC)(NS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300017449595	0	32	-1.0	-35.71	278.18	3.31	-32.40
CCC(CC)(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017449596	0	35	-1.0	-56.57	291.55	2.56	-54.01
CCC(CC)(NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300017449597	0	37	-1.0	-41.97	289.11	1.06	-40.91
CCC(CC)(NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017449598	0	34	-1.0	-53.92	289.76	4.72	-49.20
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300017449599	0	44	-1.0	-53.75	349.50	4.86	-48.89
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017449600	0	38	-1.0	-44.04	315.75	0.91	-43.13
CCOC1=CC=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449601	0	41	-1.0	-54.99	318.06	4.27	-50.72
CCC(CC)(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300017449602	0	45	-1.0	-62.19	341.17	5.24	-56.95
CCC(CC)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300017449603	0	38	-1.0	-54.14	323.88	5.35	-48.79
CCC(CC)(NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300017449641	0	35	-1.0	-38.73	301.05	4.56	-34.17
CCC(CC)(NS(=O)(=O)C1=CC(C#N)=CC=C1C)C(=O)[O-]	REAL300017449642	0	38	-1.0	-60.95	298.05	5.04	-55.91
CCC(CC)(NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017449643	0	48	-1.0	-55.39	365.86	4.19	-51.20
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017449644	0	42	-1.0	-51.43	340.28	5.18	-46.25
CCC(CC)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017449645	0	39	-1.0	-50.11	311.23	5.26	-44.85
CCC(CC)(NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300017449646	0	37	-1.0	-39.94	306.26	5.27	-34.67
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017449647	0	37	-1.0	-54.67	308.54	3.13	-51.54
CCC(CC)(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300017449648	0	45	-1.0	-58.85	354.25	4.73	-54.12
CCC(CC)(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300017449649	0	36	-1.0	-53.42	298.44	3.44	-49.98
CCC(CC)(NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300017449650	0	44	-1.0	-59.71	334.03	4.35	-55.36
CCC(CC)(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300017449651	0	35	-1.0	-42.81	286.60	2.75	-40.06
CCC(CC)(NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017449652	0	44	-1.0	-71.67	340.62	3.87	-67.80
CCC(CC)(NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-]	REAL300017449653	0	36	-1.0	-59.80	293.78	3.89	-55.91
CCC(CC)(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300017449654	0	39	-1.0	-44.64	313.79	3.89	-40.75
CCC(CC)(NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2)C(=O)[O-]	REAL300017449655	0	40	-1.0	-42.89	314.47	1.48	-41.41
CCC(CC)(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300017449656	0	46	-1.0	-43.05	337.79	4.12	-38.93
CCC(CC)(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300017449657	0	36	-1.0	-51.11	301.24	3.18	-47.93
CCC(CC)(NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300017449658	0	37	-1.0	-40.28	302.20	5.14	-35.14
CCC(CC)(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300017449659	0	42	-1.0	-63.96	322.96	4.26	-59.70
CCC(CC)(NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017449660	0	36	-1.0	-50.19	293.49	3.13	-47.06
CCC(CC)(NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300017449661	0	40	-1.0	-40.63	317.14	2.74	-37.89
CCC(CC)(NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017449662	0	33	-1.0	-49.02	288.19	3.97	-45.05
CCC(CC)(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017449663	0	43	-1.0	-40.95	339.03	5.43	-35.52
CCC(CC)(NS(=O)(=O)C1=CC=CC(C)=C1C#N)C(=O)[O-]	REAL300017449664	0	38	-1.0	-41.10	307.58	4.42	-36.68
CCC(CC)(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300017449665	0	42	-1.0	-58.82	321.80	2.55	-56.27
CCC(CC)(NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300017449666	0	35	-1.0	-58.21	298.14	4.93	-53.28
CCC(CC)(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300017449667	0	40	-1.0	-48.67	312.86	4.94	-43.73
CCC(CC)(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017449668	0	42	-1.0	-67.02	320.94	6.04	-60.98
CCC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1CC	REAL300017449669	0	46	-1.0	-41.70	342.75	6.24	-35.46
CCC(CC)(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300017449670	0	42	-1.0	-49.15	317.36	6.17	-42.98
CCC(CC)(NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300017449671	0	37	-1.0	-56.93	295.19	5.15	-51.78
CCC(CC)(NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017449672	0	40	-1.0	-44.24	324.48	3.48	-40.76
CCC(CC)(NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300017449673	0	37	-1.0	-40.78	299.06	4.18	-36.60
CCC(CC)(NS(=O)(=O)C1=C(C)C=CC=C1F)C(=O)[O-]	REAL300017449674	0	37	-1.0	-61.53	287.04	5.08	-56.45
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300017449675	0	35	-1.0	-41.63	295.14	1.63	-40.00
CCC1=NC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])S1	REAL300017449676	0	36	-1.0	-39.95	296.24	2.32	-37.63
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300017449677	0	40	-1.0	-64.09	310.59	5.82	-58.27
CCC(CC)(NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300017449678	0	36	-1.0	-56.19	294.77	2.70	-53.49
CCC(CC)(NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017449679	1	36	-1.0	-55.89	302.03	2.51	-53.38
CCC(CC)(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300017449680	0	40	-1.0	-38.95	312.06	5.05	-33.90
CCC(CC)(NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300017449681	0	42	-1.0	-61.80	326.99	2.57	-59.23
CCC(CC)(NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-]	REAL300017449682	0	45	-1.0	-41.34	326.21	2.35	-38.99
CCC(CC)(NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017449683	0	41	-1.0	-46.03	327.15	3.68	-42.35
CCC(CC)(NS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300017449684	0	33	-1.0	-37.55	276.29	2.30	-35.25
CCC(CC)(NS(=O)(=O)C1=CC=CC(C)=C1F)C(=O)[O-]	REAL300017449685	0	37	-1.0	-57.57	292.27	4.88	-52.69
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300017449686	0	45	-1.0	-40.65	347.62	5.50	-35.15
CCC(CC)(NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017449687	0	37	-1.0	-59.22	314.59	5.56	-53.66
CCC(CC)(NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017449688	0	37	-1.0	-36.89	313.04	5.11	-31.78
CCC(CC)(NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017449689	0	34	-1.0	-59.70	284.45	4.85	-54.85
CCC(CC)(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300017449690	0	37	-1.0	-55.15	295.69	4.87	-50.28
CCC(CC)(NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300017449691	0	37	-1.0	-47.95	308.28	2.11	-45.84
CCC(CC)(NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300017449692	0	38	-1.0	-60.15	318.71	5.43	-54.72
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300017449693	0	39	-1.0	-51.86	317.19	2.79	-49.07
CCC(CC)(NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017449694	0	33	-1.0	-54.06	286.10	3.40	-50.66
CCC(CC)(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300017449695	0	41	-1.0	-56.06	321.15	3.90	-52.16
CCC(CC)(NS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300017449696	0	39	-1.0	-56.69	311.93	4.28	-52.41
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017449697	0	40	-1.0	-40.86	335.50	4.75	-36.11
CCC(CC)(NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C(=O)[O-]	REAL300017449698	0	37	-1.0	-56.27	308.13	2.05	-54.22
CCOC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=N1	REAL300017449699	0	40	-1.0	-39.91	313.50	1.17	-38.74
CCC(CC)(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017449700	0	43	-1.0	-68.33	352.08	2.30	-66.03
CCC(CC)(NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017449701	0	41	-1.0	-64.84	330.01	3.10	-61.74
CCC(CC)(NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017449702	0	48	-1.0	-56.69	357.32	5.17	-51.52
CCC(CC)(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300017449703	0	37	-1.0	-44.14	298.63	2.77	-41.37
CCC(CC)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300017449704	0	40	-1.0	-53.40	315.94	5.66	-47.74
CCC(CC)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300017449705	0	44	-1.0	-45.50	360.09	1.35	-44.15
CCC(CC)(NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300017449706	0	51	-1.0	-64.64	379.62	6.04	-58.60
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017449707	0	43	-1.0	-50.68	351.69	5.51	-45.17
CCC(CC)(NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300017449708	0	43	-1.0	-57.55	337.60	6.44	-51.11
CCC(CC)(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300017449709	0	37	-1.0	-44.30	311.34	5.27	-39.03
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017449710	0	37	-1.0	-37.90	311.64	5.75	-32.15
CCC(CC)(NS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1)C(=O)[O-]	REAL300017449711	0	48	-1.0	-60.32	378.13	2.24	-58.08
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449712	0	47	-1.0	-68.35	367.94	5.49	-62.86
CCOC(=O)C1=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=CC=C1C	REAL300017449713	0	46	-1.0	-52.91	360.12	6.29	-46.62
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449714	0	46	-1.0	-43.26	363.29	5.99	-37.27
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC)C(=O)[O-]	REAL300017449715	0	45	-1.0	-56.92	358.88	3.76	-53.16
CCOC(=O)C1=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C(F)C=C1C	REAL300017449716	0	46	-1.0	-55.95	361.12	6.20	-49.75
CCC(CC)(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017449717	0	40	-1.0	-55.95	330.76	6.27	-49.68
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449718	0	43	-1.0	-44.29	353.40	5.37	-38.92
CCC(CC)(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017449719	0	44	-1.0	-43.91	338.67	7.04	-36.87
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300017449720	0	48	-1.0	-45.23	384.30	1.47	-43.76
CCC(CC)(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017449721	0	37	-1.0	-57.24	309.47	5.57	-51.67
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=CN1C	REAL300017449722	0	46	-1.0	-60.00	368.50	5.31	-54.69
CCC(CC)(NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017449723	0	38	-1.0	-60.24	310.01	4.70	-55.54
CCC(CC)(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017449724	0	37	-1.0	-54.03	298.26	5.04	-48.99
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300017449725	0	36	-1.0	-50.07	288.77	3.12	-46.95
CCC(CC)(NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017449726	0	37	-1.0	-61.52	309.35	4.15	-57.37
CCC(CC)(NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017449727	0	35	-1.0	-47.26	289.82	2.83	-44.43
CCC(CC)(NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	REAL300017449728	0	42	-1.0	-53.69	317.65	4.16	-49.53
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449729	0	47	-1.0	-62.05	358.85	4.85	-57.20
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300017449730	0	40	-1.0	-40.99	328.02	4.72	-36.27
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300017449731	0	45	-1.0	-46.95	365.51	3.57	-43.38
CCC(CC)(NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300017449732	0	49	-1.0	-56.18	379.97	6.91	-49.27
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300017449733	0	46	-1.0	-58.37	370.71	3.31	-55.06
CCC(CC)(NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-]	REAL300017449734	0	46	-1.0	-39.95	334.95	5.45	-34.50
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300017449735	0	41	-1.0	-54.71	338.27	4.30	-50.41
CCC(CC)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017449736	0	40	-1.0	-51.36	321.99	5.70	-45.66
CCC(CC)(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300017449737	0	45	-1.0	-54.02	374.25	7.49	-46.53
CCC(CC)(NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300017449738	0	43	-1.0	-61.57	343.51	5.48	-56.09
CCC(CC)(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300017449739	0	44	-1.0	-58.88	313.21	5.77	-53.11
CCC(CC)(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300017449740	0	40	-1.0	-41.00	328.83	5.72	-35.28
CCC(CC)(NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	REAL300017449741	0	43	-1.0	-40.19	329.81	4.14	-36.05
CCC(CC)(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300017449742	0	34	-1.0	-36.17	298.48	3.98	-32.19
CCC(CC)(NS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017449743	0	47	-1.0	-61.41	376.34	4.43	-56.98
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449744	0	50	-1.0	-61.09	398.20	5.36	-55.73
CCC(CC)(NS(=O)(=O)CC1(C(=O)OC)CCCCC1)C(=O)[O-]	REAL300017449745	0	49	-1.0	-63.37	353.05	5.67	-57.70
CCC(CC)(NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017449746	0	42	-1.0	-58.95	339.28	4.70	-54.25
CCC(CC)(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449747	1	36	-1.0	-46.30	295.48	2.64	-43.66
CCC(CC)(NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300017449748	0	38	-1.0	-44.27	304.42	3.63	-40.64
CCC(CC)(NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300017449749	0	47	-1.0	-60.14	366.43	7.89	-52.25
CCC(CC)(NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017449750	0	37	-1.0	-41.31	319.29	5.45	-35.86
CCC(CC)(NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300017449751	0	37	-1.0	-41.86	310.17	5.04	-36.82
CCC(CC)(NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300017449752	0	38	-1.0	-62.55	317.36	4.30	-58.25
CCC(CC)(NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300017449753	0	44	-1.0	-57.34	340.68	6.51	-50.83
CCC(CC)(NS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300017449754	0	46	-1.0	-57.45	332.95	5.75	-51.70
CCC(CC)(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017449755	0	38	-1.0	-42.21	316.34	5.54	-36.67
CCC(CC)(NS(=O)(=O)CCCC(C)(F)F)C(=O)[O-]	REAL300017449756	0	39	-1.0	-37.83	306.57	3.99	-33.84
CCC(CC)(NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300017449757	0	43	-1.0	-39.09	334.13	6.06	-33.03
CCC(CC)(NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300017449759	0	38	-1.0	-45.66	306.16	-0.47	-46.13
CCCC1=CC=CC=C1S(=O)(=O)NC(CC)(CC)C(=O)[O-]	REAL300017449763	0	43	-1.0	-58.73	314.61	6.40	-52.33
CCC(CC)(NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300017449764	0	43	-1.0	-63.32	330.89	5.02	-58.30
CCC(CC)(NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300017449765	0	34	-1.0	-52.92	274.75	4.02	-48.90
CCC(CC)(NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017449766	0	40	-1.0	-39.28	318.76	5.40	-33.88
CCC(CC)(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017449767	0	50	-1.0	-52.66	377.33	6.57	-46.09
CCC(CC)(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300017449768	0	39	-1.0	-59.53	300.21	4.41	-55.12
CCC(CC)(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300017449769	0	54	-1.0	-54.17	391.15	6.01	-48.16
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300017449770	0	41	-1.0	-56.82	327.40	4.29	-52.53
CCC(CC)(NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300017449771	0	48	-1.0	-55.47	361.39	4.20	-51.27
CCC(CC)(NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300017449772	0	49	-1.0	-54.32	374.67	6.24	-48.08
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C21	REAL300017449773	0	48	-1.0	-56.22	365.37	5.57	-50.65
CCC(CC)(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300017449774	0	41	-1.0	-55.22	316.42	3.65	-51.57
CCC(CC)(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300017449775	0	41	-1.0	-56.53	314.72	3.91	-52.62
CCC(CC)(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300017449776	0	44	-1.0	-46.12	334.93	4.33	-41.79
CCC(CC)(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300017449784	0	40	-1.0	-53.50	333.02	4.98	-48.52
CCC(CC)(NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300017449785	0	40	-1.0	-55.42	313.49	1.16	-54.26
CCC(CC)(NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017449786	1	31	-1.0	-54.08	269.79	3.06	-51.02
CCC(CC)(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300017449787	0	41	-1.0	-49.94	313.12	3.88	-46.06
CCC(CC)(NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1)C(=O)[O-]	REAL300017449788	0	38	-1.0	-36.80	311.06	3.22	-33.58
CCC(CC)(NS(=O)(=O)C1=CC(F)=C(OC)C=C1F)C(=O)[O-]	REAL300017449789	0	38	-1.0	-56.53	307.71	3.61	-52.92
CCCCCOC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1C(C)C	REAL300017449790	0	59	-1.0	-56.46	437.20	8.55	-47.91
CCC(CC)(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300017449791	0	50	-1.0	-59.37	363.68	5.86	-53.51
CCC(CC)(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300017449792	0	44	-1.0	-61.75	337.58	5.48	-56.27
CCC(CC)(NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300017449793	0	37	-1.0	-52.10	283.07	4.47	-47.63
CCC(CC)(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300017449794	0	42	-1.0	-62.55	317.33	4.54	-58.01
CCC(CC)(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017449795	0	42	-1.0	-41.10	334.01	3.34	-37.76
CCC(CC)(NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300017449796	0	42	-1.0	-56.45	334.32	6.38	-50.07
CCC(CC)(NS(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300017449797	0	38	-1.0	-58.21	301.86	4.40	-53.81
CCC(CC)(NS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300017449798	0	37	-1.0	-54.10	311.88	5.43	-48.67
CCC(CC)(NS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br)C(=O)[O-]	REAL300017449799	0	37	-1.0	-55.42	309.35	5.90	-49.52
CCC(CC)(NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300017449800	0	51	-1.0	-66.46	376.88	6.28	-60.18
CCC(CC)(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300017449801	0	40	-1.0	-56.04	315.93	4.64	-51.40
CCC(CC)(NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C)C(=O)[O-]	REAL300017449802	0	48	-1.0	-54.52	363.91	5.21	-49.31
CCC(CC)(NS(=O)(=O)C1=CSC=C1Cl)C(=O)[O-]	REAL300017449803	0	31	-1.0	-36.82	272.77	3.44	-33.38
CCC(CC)(NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300017449804	0	34	-1.0	-39.41	287.43	1.74	-37.67
CCC(CC)(NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017449805	0	36	-1.0	-48.95	300.62	3.22	-45.73
CCC(CC)(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300017449806	0	39	-1.0	-51.87	305.36	3.57	-48.30
CCC(CC)(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300017449807	0	43	-1.0	-40.68	312.83	4.37	-36.31
CCC(CC)(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300017449808	0	38	-1.0	-43.91	327.13	4.59	-39.32
CCC(CC)(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300017449809	0	35	-1.0	-52.25	277.69	2.73	-49.52
CCC(CC)(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300017449810	0	37	-1.0	-43.50	304.63	5.21	-38.29
CCC(CC)(NS(=O)(=O)C1=CNC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300017449811	0	38	-1.0	-54.69	318.37	4.43	-50.26
CCC(CC)(NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300017449812	0	37	-1.0	-65.64	312.48	3.75	-61.89
CCC(CC)(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300017449813	0	41	-1.0	-48.00	315.52	3.99	-44.01
CCC(CC)(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300017449814	0	43	-1.0	-49.83	320.67	6.50	-43.33
CCC(CC)(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300017449815	0	42	-1.0	-56.97	319.39	4.01	-52.96
CCC(CC)(NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300017449816	0	43	-1.0	-52.78	332.67	0.82	-51.96
CCC(CC)(NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300017449817	0	35	-1.0	-53.73	307.12	4.96	-48.77
CCC(CC)(NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300017449818	0	37	-1.0	-54.78	292.70	4.28	-50.50
CCC(CC)(NS(=O)(=O)C1=C(F)C=CC(OC)=C1OC)C(=O)[O-]	REAL300017449819	0	42	-1.0	-59.67	329.00	4.28	-55.39
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300017449820	1	37	-1.0	-51.16	327.22	3.79	-47.37
CCC(CC)(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300017449821	0	47	-1.0	-54.95	349.20	4.59	-50.36
CCC(CC)(NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300017449822	0	38	-1.0	-53.96	318.62	6.00	-47.96
CCC(CC)(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300017449824	0	41	-1.0	-54.94	314.86	3.56	-51.38
CCC(CC)(NC(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017449825	0	36	-1.0	-54.37	309.50	8.48	-45.89
CCC(CC)(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300017449826	0	38	-1.0	-43.14	304.43	3.25	-39.89
CCC(CC)(NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300017449827	0	38	-1.0	-42.37	323.93	4.49	-37.88
CCC(CC)(NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017449828	0	37	-1.0	-60.75	298.30	2.93	-57.82
CCC(CC)(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300017449829	0	39	-1.0	-62.21	311.18	2.58	-59.63
CCC(CC)(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300017449831	0	40	-1.0	-40.95	320.40	5.80	-35.15
CCC(CC)(NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300017449832	0	45	-1.0	-39.07	312.64	4.82	-34.25
CCC(CC)(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300017449833	0	40	-1.0	-50.80	335.28	5.27	-45.53
CCC(CC)(NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300017449834	0	37	-1.0	-55.48	297.93	4.29	-51.19
CCC(CC)(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300017449835	0	44	-1.0	-54.88	333.01	4.06	-50.82
CCC(CC)(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300017449836	0	52	-1.0	-60.65	373.47	7.77	-52.88
CCC(CC)(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300017449837	0	40	-1.0	-37.14	335.69	5.50	-31.64
CCC(CC)(NS(=O)(=O)C1=C(Cl)SC=C1)C(=O)[O-]	REAL300017449838	0	31	-1.0	-37.32	273.24	3.57	-33.75
CCC(CC)(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300017449839	0	44	-1.0	-52.47	340.44	4.60	-47.87
CCC(CC)(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300017449840	0	38	-1.0	-59.36	302.91	5.29	-54.07
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300017449841	0	45	-1.0	-44.48	369.27	7.00	-37.48
CCC(CC)(NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300017449842	0	47	-1.0	-62.08	356.71	2.53	-59.55
CCC(CC)(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017449843	0	43	-1.0	-72.08	333.09	5.36	-66.72
CCCC1=CC=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449844	0	43	-1.0	-40.15	328.86	5.85	-34.30
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)OC)=NN1C)C(=O)[O-]	REAL300017449845	0	40	-1.0	-44.45	321.92	1.98	-42.47
CCC(CC)(NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300017449846	0	35	-1.0	-37.77	294.68	3.96	-33.81
CCC(CC)(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300017449847	0	41	-1.0	-52.53	312.42	3.51	-49.02
CCC(CC)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017449848	0	38	-1.0	-48.07	323.00	5.39	-42.68
CCC(CC)(NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1)C(=O)[O-]	REAL300017449849	0	46	-1.0	-42.76	365.14	6.53	-36.23
CCC(CC)(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300017449850	0	43	-1.0	-46.53	318.13	3.33	-43.20
CCC(CC)(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300017449851	0	43	-1.0	-52.93	331.15	3.69	-49.24
CCC(CC)(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300017449852	0	41	-1.0	-53.28	308.55	2.79	-50.49
CCC(CC)(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017449853	0	39	-1.0	-49.17	313.74	3.73	-45.44
CCC(CC)(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017449854	0	37	-1.0	-35.41	309.03	4.68	-30.73
CCC(CC)(NS(=O)(=O)C1=CC=C(CF)C=C1)C(=O)[O-]	REAL300017449855	0	37	-1.0	-56.18	295.04	4.91	-51.27
CCC(CC)(NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300017449856	0	34	-1.0	-55.49	282.80	4.20	-51.29
CCC(CC)(NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017449857	0	34	-1.0	-35.52	296.97	3.78	-31.74
CCC(CC)(NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300017449858	0	39	-1.0	-55.76	294.03	3.45	-52.31
CCC(CC)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017449859	0	37	-1.0	-51.41	319.46	5.61	-45.80
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300017449860	0	37	-1.0	-64.34	280.21	5.27	-59.07
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449861	0	45	-1.0	-44.94	348.97	5.67	-39.27
CCC(CC)(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300017449862	0	45	-1.0	-59.78	329.57	6.95	-52.83
CCC(CC)(NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300017449863	0	44	-1.0	-43.97	344.65	5.30	-38.67
CCC(CC)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300017449864	0	40	-1.0	-52.69	329.26	5.20	-47.49
CCC(CC)(NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017449865	0	40	-1.0	-55.52	302.13	5.13	-50.39
CCC(CC)(NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300017449866	0	39	-1.0	-42.51	330.03	4.76	-37.75
CCC(CC)(NS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1)C(=O)[O-]	REAL300017449867	0	43	-1.0	-53.64	337.63	3.56	-50.08
CCC(CC)(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300017449868	0	34	-1.0	-54.34	279.45	4.21	-50.13
CCC(CC)(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300017449869	0	41	-1.0	-55.01	315.94	6.28	-48.73
CCC(CC)(NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300017449870	0	35	-1.0	-42.41	289.97	2.66	-39.75
CCC(CC)(NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017449871	0	37	-1.0	-55.63	291.33	5.37	-50.26
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)OC)=C(C)S1)C(=O)[O-]	REAL300017449872	0	40	-1.0	-51.94	332.55	4.45	-47.49
CCC(CC)(NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300017449873	0	41	-1.0	-55.86	321.21	6.34	-49.52
CCC(CC)(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300017449874	0	44	-1.0	-46.76	335.16	4.34	-42.42
CCC(C)N1N=CC=C1S(=O)(=O)NC(CC)(CC)C(=O)[O-]	REAL300017449875	0	43	-1.0	-40.33	323.65	3.64	-36.69
CCC(CC)(NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300017449876	0	43	-1.0	-45.55	336.50	1.24	-44.31
CCC(CC)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300017449877	0	37	-1.0	-49.26	318.19	0.24	-49.02
CCC(CC)(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300017449878	0	48	-1.0	-42.05	325.72	4.63	-37.42
CCC(CC)(NS(=O)(=O)C1=CC(F)=C(F)C=C1OC)C(=O)[O-]	REAL300017449879	0	38	-1.0	-39.32	309.28	4.10	-35.22
CCC(CC)(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300017449880	0	48	-1.0	-55.00	358.59	2.82	-52.18
CCC(CC)(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300017449881	0	40	-1.0	-41.32	317.69	5.15	-36.17
CCC(CC)(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300017449882	0	38	-1.0	-54.42	305.82	3.63	-50.79
CCC(CC)(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017449883	0	49	-1.0	-38.81	357.26	6.97	-31.84
CCC(CC)(NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300017449884	0	35	-1.0	-39.67	289.69	2.23	-37.44
CCC(CC)(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300017449885	0	45	-1.0	-69.19	332.77	6.51	-62.68
CCC(CC)(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300017449886	0	42	-1.0	-55.81	309.73	3.91	-51.90
CCC(CC)(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300017449887	0	37	-1.0	-52.24	299.18	2.66	-49.58
CCOCC1=CC=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449888	0	44	-1.0	-56.53	343.45	4.75	-51.78
CCC(CC)(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300017449891	0	44	-1.0	-45.41	345.14	4.82	-40.59
CCC(CC)(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300017449892	0	47	-1.0	-54.47	352.86	4.92	-49.55
CCC(CC)(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017449893	0	45	-1.0	-41.97	353.53	6.48	-35.49
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300017449894	0	37	-1.0	-57.32	280.33	4.87	-52.45
CCC(CC)(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300017449895	0	40	-1.0	-52.08	325.43	5.84	-46.24
CCN1N=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1Cl	REAL300017449896	0	37	-1.0	-53.98	303.93	2.80	-51.18
CCC(CC)(NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017449897	0	38	-1.0	-42.15	320.37	5.63	-36.52
CCC(CC)(NS(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1)C(=O)[O-]	REAL300017449898	0	40	-1.0	-52.91	351.57	5.33	-47.58
CCC(CC)(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017449900	0	36	-1.0	-38.71	308.74	3.16	-35.55
CCC(CC)(NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017449901	0	39	-1.0	-67.23	323.82	4.71	-62.52
CCC(CC)(NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017449902	0	39	-1.0	-59.61	316.03	4.91	-54.70
CCC(CC)(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300017449903	0	43	-1.0	-59.85	321.09	6.73	-53.12
CCC(CC)(NS(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300017449904	0	38	-1.0	-64.30	313.76	4.88	-59.42
CCC(CC)(NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300017449905	0	41	-1.0	-57.33	325.14	4.50	-52.83
CCC(CC)(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300017449906	0	48	-1.0	-55.21	367.93	5.51	-49.70
CCC(CC)(NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017449907	0	34	-1.0	-37.28	298.88	4.36	-32.92
CCC(CC)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C(=O)[O-]	REAL300017449908	0	40	-1.0	-55.65	332.37	0.18	-55.47
CCC(CC)(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300017449909	0	44	-1.0	-54.06	349.70	5.26	-48.80
CCC(CC)(NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300017449910	0	40	-1.0	-57.16	340.25	1.95	-55.21
CCC(CC)(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017449911	0	38	-1.0	-54.59	307.73	5.55	-49.04
CCC(CC)(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300017449912	0	38	-1.0	-39.78	323.39	5.73	-34.05
CCC(CC)(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300017449913	0	38	-1.0	-54.00	322.61	6.11	-47.89
CCC(CC)(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300017449914	0	38	-1.0	-55.67	310.21	5.42	-50.25
CCC(CC)(NS(=O)(=O)N1CCCCC1C(=O)OC)C(=O)[O-]	REAL300017449915	0	45	-1.0	-62.37	326.79	5.11	-57.26
CCC(CC)(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300017449916	0	56	-1.0	-43.40	394.11	7.78	-35.62
CCC(CC)(NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017449917	0	37	-1.0	-49.93	312.10	4.86	-45.07
CCC(CC)(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300017449918	0	45	-1.0	-42.15	345.57	4.84	-37.31
CCC(CC)(NS(=O)(=O)C1=CC=C(C=CC(=O)OC)C=C1)C(=O)[O-]	REAL300017449919	0	44	-1.0	-56.92	353.66	6.07	-50.85
CCOC(=O)C1=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=NN1	REAL300017449920	0	40	-1.0	-46.39	329.58	1.78	-44.61
CCC(CC)(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300017449921	0	39	-1.0	-58.41	318.74	2.20	-56.21
CCC(CC)(NC(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C)C(=O)[O-]	REAL300017449922	0	51	-1.0	-60.75	343.26	9.09	-51.66
CCC(CC)(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300017449923	0	46	-1.0	-57.75	314.97	5.00	-52.75
CCC(CC)(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300017449924	0	45	-1.0	-57.72	337.73	6.34	-51.38
CCC(CC)(NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300017449925	0	45	-1.0	-59.79	351.84	11.22	-48.57
CCC(CC)(NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017449926	0	51	-1.0	-58.18	372.60	10.65	-47.53
CCC(CC)(NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300017449927	0	52	-1.0	-56.90	377.39	7.34	-49.56
CCC(CC)(NC(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300017449928	0	44	-1.0	-63.99	329.25	7.21	-56.78
CCC(CC)(NC(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300017449929	0	41	-1.0	-63.34	314.29	3.19	-60.15
CCC(CC)(NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)C(=O)[O-]	REAL300017449930	0	53	-1.0	-60.93	391.24	7.81	-53.12
CCC(CC)(NC(=O)N1CCOC(C(=O)OC)C1)C(=O)[O-]	REAL300017449931	0	42	-1.0	-56.74	321.51	5.49	-51.25
CCC(CC)(NS(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300017449932	0	38	-1.0	-56.46	314.14	4.91	-51.55
CCC(CC)(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300017449933	0	38	-1.0	-55.16	311.23	4.77	-50.39
CCC(CC)(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300017449934	0	38	-1.0	-59.20	307.22	3.55	-55.65
CCC(CC)(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300017449935	0	40	-1.0	-53.63	312.87	3.91	-49.72
CCC(CC)(NC(=O)N1CCC(OC(C)=O)CC1)C(=O)[O-]	REAL300017449936	0	44	-1.0	-59.81	330.21	7.33	-52.48
CCC(CC)(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300017449937	0	41	-1.0	-59.64	320.48	5.81	-53.83
CCC(CC)(NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300017449938	0	37	-1.0	-53.81	289.85	5.34	-48.47
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300017449939	0	43	-1.0	-39.45	343.33	4.11	-35.34
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017449940	0	31	-1.0	-34.78	291.07	3.88	-30.90
CCC(CC)(NS(=O)(=O)C1=C(Cl)N(C)N=C1)C(=O)[O-]	REAL300017449941	0	34	-1.0	-54.11	282.01	1.93	-52.18
CCC(CC)(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017449942	0	47	-1.0	-56.25	357.84	6.35	-49.90
CCC(CC)(NS(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300017449943	0	51	-1.0	-41.34	384.19	5.59	-35.75
CCC(CC)(NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300017449944	0	37	-1.0	-54.37	318.38	5.46	-48.91
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300017449945	0	39	-1.0	-54.38	318.43	4.81	-49.57
CCC(CC)(NS(=O)(=O)N1CCC[C@H]1C(=O)OC)C(=O)[O-]	REAL300017449946	0	42	-1.0	-67.23	310.05	4.41	-62.82
CCC(CC)(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017449947	0	45	-1.0	-60.73	352.22	6.85	-53.88
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300017449948	0	40	-1.0	-45.85	307.59	5.82	-40.03
CCC(CC)(NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300017449949	0	39	-1.0	-61.31	317.60	2.52	-58.79
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300017449950	0	35	-1.0	-41.33	309.47	2.70	-38.63
CCC(CC)(NC(=O)N1CCCC(OC(C)=O)C1)C(=O)[O-]	REAL300017449951	0	44	-1.0	-65.62	330.25	7.32	-58.30
CCC(CC)(NS(=O)(=O)C1=CC=NN1COC)C(=O)[O-]	REAL300017449952	0	38	-1.0	-53.36	301.17	0.24	-53.12
CCC(CC)(NS(=O)(=O)C1=CN=C(Cl)C=C1C)C(=O)[O-]	REAL300017449953	0	36	-1.0	-40.50	297.90	3.43	-37.07
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449954	0	45	-1.0	-42.36	348.14	5.26	-37.10
CCN1C=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C(C2CC2)=N1	REAL300017449955	0	44	-1.0	-54.79	336.35	4.42	-50.37
CCC(CC)(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300017449956	0	38	-1.0	-67.06	298.99	3.28	-63.78
CCC(CC)(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300017449957	0	40	-1.0	-54.03	329.39	6.84	-47.19
CCC(CC)(NS(=O)(=O)N1CCC(OC(C)=O)C1)C(=O)[O-]	REAL300017449958	0	42	-1.0	-58.12	320.91	3.56	-54.56
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017449959	0	44	-1.0	-53.49	357.53	7.98	-45.51
CCC1=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=CC=C1Br	REAL300017449960	0	40	-1.0	-38.20	324.76	5.55	-32.65
CCC(CC)(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300017449961	0	47	-1.0	-51.22	353.77	5.24	-45.98
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300017449962	0	31	-1.0	-36.12	273.05	3.25	-32.87
CCC(CC)(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300017449963	0	48	-1.0	-63.17	367.94	4.38	-58.79
CCC(CC)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300017449964	0	40	-1.0	-43.40	326.87	6.72	-36.68
CCC(CC)(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300017449965	0	42	-1.0	-51.43	318.58	1.70	-49.73
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300017449966	0	41	-1.0	-59.44	303.26	5.96	-53.48
CCC(CC)(NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300017449967	0	45	-1.0	-56.08	306.59	4.03	-52.05
CCC(CC)(NS(=O)(=O)N1CCC(COC(C)=O)CC1)C(=O)[O-]	REAL300017449968	0	48	-1.0	-41.25	356.98	5.09	-36.16
CCC(CC)(NS(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC)C(=O)[O-]	REAL300017449969	0	48	-1.0	-60.84	363.58	4.34	-56.50
CCC(CC)(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300017449970	0	44	-1.0	-47.83	328.57	1.87	-45.96
CCC(CC)(NS(=O)(=O)C1=CC=C(OC)N=C1C)C(=O)[O-]	REAL300017449971	0	40	-1.0	-52.61	304.06	1.20	-51.41
CCC(CC)(NS(=O)(=O)C1=CC(C)=CN=C1OC)C(=O)[O-]	REAL300017449972	0	40	-1.0	-57.45	310.63	1.84	-55.61
CCC(CC)(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300017449973	0	49	-1.0	-40.49	366.66	4.04	-36.45
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300017449974	0	37	-1.0	-54.53	305.93	1.69	-52.84
CCC(CC)(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300017449975	0	40	-1.0	-52.49	310.12	1.32	-51.17
CCC(CC)(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300017449976	0	43	-1.0	-56.27	333.89	4.07	-52.20
CCC(CC)(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300017449977	0	43	-1.0	-53.95	324.53	3.45	-50.50
CCC(CC)(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300017449978	0	33	-1.0	-50.53	290.66	2.10	-48.43
CCC(CC)(NS(=O)(=O)C1=C(C#N)C=CS1)C(=O)[O-]	REAL300017449979	0	32	-1.0	-46.35	279.39	3.59	-42.76
CCC(CC)(NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017449980	0	38	-1.0	-37.99	333.07	6.06	-31.93
CCC(CC)(NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300017449981	0	40	-1.0	-51.24	309.28	3.36	-47.88
CCC(CC)(NS(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300017449982	0	42	-1.0	-50.98	330.09	3.31	-47.67
CCC(CC)(NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449983	0	37	-1.0	-61.39	301.10	5.69	-55.70
CCC(CC)(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300017449984	0	41	-1.0	-51.76	312.42	4.24	-47.52
CCC(CC)(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300017449985	0	41	-1.0	-53.83	316.53	5.18	-48.65
CCC(CC)(NS(=O)(=O)CC1=CC(OC)=NO1)C(=O)[O-]	REAL300017449986	0	37	-1.0	-37.32	298.50	0.08	-37.24
CCC(CC)(NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300017449987	0	39	-1.0	-61.33	302.41	4.56	-56.77
CCC(CC)(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300017449988	0	43	-1.0	-59.71	324.74	3.51	-56.20
CCC(CC)(NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300017449989	0	41	-1.0	-38.85	324.56	5.80	-33.05
CCC(CC)(NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300017449990	0	36	-1.0	-41.63	291.82	2.62	-39.01
CCC(CC)(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300017449991	0	48	-1.0	-53.74	376.88	7.76	-45.98
CCC(CC)(NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300017449992	0	41	-1.0	-58.83	324.00	6.21	-52.62
CCC(CC)(NC(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300017449993	0	41	-1.0	-58.23	311.82	7.36	-50.87
CCC(CC)(NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300017449994	0	38	-1.0	-43.78	322.56	4.49	-39.29
CCC(CC)(NC(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300017449995	0	36	-1.0	-54.89	287.67	7.07	-47.82
CCC(CC)(NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300017449996	0	37	-1.0	-43.33	308.93	4.66	-38.67
CCC(CC)(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300017449997	0	42	-1.0	-63.03	317.93	0.31	-62.72
CCC(CC)(NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300017449998	0	41	-1.0	-55.16	290.14	2.72	-52.44
CCC(CC)(NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300017449999	0	40	-1.0	-35.99	297.11	3.89	-32.10
COCC(C)(NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300017450408	0	38	-1.0	-43.57	320.36	3.75	-39.82
COCC(C)(NS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300017450409	0	36	-1.0	-55.84	309.63	3.34	-52.50
COCC(C)(NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017450410	0	38	-1.0	-45.67	333.11	2.99	-42.68
COCC(C)(NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300017450411	0	44	-1.0	-50.83	351.76	3.68	-47.15
COCC(C)(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300017450412	0	50	-1.0	-57.72	357.96	4.70	-53.02
COCC(C)(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300017450413	0	40	-1.0	-52.40	333.53	3.04	-49.36
COCC(C)(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450414	0	40	-1.0	-53.47	334.66	4.21	-49.26
COCC(C)(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300017450415	0	43	-1.0	-49.11	345.60	0.65	-48.46
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450416	0	46	-1.0	-46.95	393.84	3.14	-43.81
CCCN1C=NC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450417	0	38	-1.0	-51.36	317.72	3.59	-47.77
COCC(C)(NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017450418	0	33	-1.0	-38.26	319.62	2.77	-35.49
COCC(C)(NS(=O)(=O)C1=C(C#N)SC=C1)C(=O)[O-]	REAL300017450419	0	30	-1.0	-41.98	284.55	1.25	-40.73
COCC(C)(NS(=O)(=O)CC1CCC(F)CC1)C(=O)[O-]	REAL300017450420	0	41	-1.0	-43.84	317.64	3.62	-40.22
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017450421	0	35	-1.0	-46.19	302.86	3.26	-42.93
COCC(C)(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300017450422	0	38	-1.0	-55.91	315.51	3.16	-52.75
COCC(C)(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300017450423	0	41	-1.0	-49.03	353.33	3.78	-45.25
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017450424	0	38	-1.0	-46.25	348.68	2.99	-43.26
COCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300017450425	0	41	-1.0	-48.62	352.48	3.17	-45.45
COCC(C)(NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017450426	0	38	-1.0	-42.79	326.18	4.21	-38.58
COCC(C)(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017450427	0	35	-1.0	-43.59	313.48	3.57	-40.02
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300017450428	0	32	-1.0	-44.37	305.53	3.38	-40.99
COCC(C)(NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017450429	0	39	-1.0	-56.32	323.38	-0.32	-56.64
COCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300017450430	0	47	-1.0	-52.32	377.26	4.51	-47.81
CCC1CCN(S(=O)(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300017450431	0	43	-1.0	-42.15	321.64	3.24	-38.91
COCC(C)(NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017450432	0	38	-1.0	-42.22	321.54	3.90	-38.32
COCC(C)(NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300017450433	0	38	-1.0	-46.88	320.70	3.86	-43.02
COCC(C)(NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017450434	0	38	-1.0	-45.10	327.80	4.21	-40.89
COCC(C)(NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300017450435	0	47	-1.0	-52.71	375.27	1.05	-51.66
COCC(C)(NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300017450436	0	43	-1.0	-52.62	359.95	2.83	-49.79
COCC(C)(NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300017450437	0	39	-1.0	-49.15	343.56	4.76	-44.39
COCC(C)(NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-]	REAL300017450438	0	41	-1.0	-58.16	316.31	0.82	-57.34
COCC(C)(NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017450439	0	35	-1.0	-43.24	316.76	3.69	-39.55
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450440	0	45	-1.0	-58.20	360.95	4.40	-53.80
COCC(C)(NS(=O)(=O)CC(C)CC(F)(F)F)C(=O)[O-]	REAL300017450441	0	37	-1.0	-39.00	305.84	2.50	-36.50
COCC(C)(NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C(=O)[O-]	REAL300017450442	0	39	-1.0	-48.21	335.50	4.09	-44.12
COCC(C)(NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300017450443	0	44	-1.0	-49.85	365.76	1.63	-48.22
COCC(C)(NS(=O)(=O)C1=CC=C(F)C=C1OC)C(=O)[O-]	REAL300017450444	0	36	-1.0	-43.47	305.86	2.10	-41.37
COCC(C)(NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017450445	0	38	-1.0	-45.23	328.03	1.92	-43.31
CCC1=NC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=CN1CC1CC1	REAL300017450446	0	45	-1.0	-62.30	365.34	4.84	-57.46
COCC(C)(NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300017450447	0	43	-1.0	-55.57	351.19	2.75	-52.82
COCC(C)(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300017450448	0	35	-1.0	-47.14	308.55	1.84	-45.30
COCC(C)(NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300017450449	0	35	-1.0	-56.22	319.69	1.96	-54.26
CCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1C(C)C	REAL300017450450	0	51	-1.0	-48.04	398.84	5.28	-42.76
COCC(C)(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017450451	0	40	-1.0	-44.15	336.91	4.13	-40.02
COCC(C)(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300017450452	0	39	-1.0	-45.85	313.13	1.92	-43.93
COCC(C)(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300017450453	0	45	-1.0	-54.36	371.95	4.87	-49.49
COCC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300017450454	0	46	-1.0	-49.65	385.69	5.54	-44.11
COCC(C)(NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300017450455	0	42	-1.0	-42.59	351.46	3.58	-39.01
COCC(C)(NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300017450456	0	44	-1.0	-51.40	351.38	3.68	-47.72
COCC(C)(NS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300017450457	0	40	-1.0	-47.64	348.97	1.13	-46.51
COCC(C)(NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300017450458	0	44	-1.0	-49.45	362.20	4.86	-44.59
COCC(C)(NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300017450459	0	43	-1.0	-51.18	353.44	1.42	-49.76
COCC(C)(NS(=O)(=O)CC1(C(F)F)CCCC1)C(=O)[O-]	REAL300017450460	0	41	-1.0	-40.87	319.12	3.52	-37.35
CCOC1(CS(=O)(=O)NC(C)(COC)C(=O)[O-])CCOCC1	REAL300017450461	0	46	-1.0	-42.40	345.20	1.15	-41.25
CCOC(CS(=O)(=O)NC(C)(COC)C(=O)[O-])C1CC1	REAL300017450462	0	42	-1.0	-44.27	333.65	2.76	-41.51
COCC(C)(NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017450463	0	38	-1.0	-46.16	338.36	2.55	-43.61
COCC(C)(NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300017450464	0	43	-1.0	-55.76	364.70	3.41	-52.35
COCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300017450465	0	35	-1.0	-42.80	309.35	0.83	-41.97
COCC(C)(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017450466	0	43	-1.0	-61.62	370.22	6.79	-54.83
COCC(C)(NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300017450467	0	35	-1.0	-40.89	312.41	3.05	-37.84
COCC(C)(NS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300017450468	0	35	-1.0	-43.44	306.93	3.07	-40.37
COCC(C)(NS(=O)(=O)C1=CC=CC(F)=C1C(=O)OC)C(=O)[O-]	REAL300017450469	0	38	-1.0	-60.15	329.30	3.77	-56.38
COCC(C)(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300017450470	0	40	-1.0	-48.32	326.48	-0.10	-48.42
COCC(C)(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300017450471	0	36	-1.0	-47.05	318.29	2.17	-44.88
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300017450472	0	38	-1.0	-46.27	323.75	2.93	-43.34
COCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300017450473	0	38	-1.0	-60.74	325.59	4.49	-56.25
COCCN1C=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=N1	REAL300017450474	0	39	-1.0	-49.54	328.23	-0.27	-49.81
COCC(C)(NS(=O)(=O)C1=C(C)N(CC2CC2)N=C1C)C(=O)[O-]	REAL300017450475	0	45	-1.0	-54.70	362.50	3.85	-50.85
COCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300017450476	0	39	-1.0	-52.87	331.28	2.76	-50.11
COCC(C)(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017450477	0	40	-1.0	-43.15	343.35	4.50	-38.65
COCC(C)(NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300017450478	0	32	-1.0	-45.22	295.23	2.85	-42.37
COCC(C)(NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300017450479	0	35	-1.0	-43.05	305.14	3.30	-39.75
COCC(C)(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300017450480	0	39	-1.0	-62.99	332.06	0.12	-62.87
CCN1C(=O)OC2=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=CC=C21	REAL300017450481	0	41	-1.0	-51.32	343.31	3.14	-48.18
COCC(C)(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017450482	0	35	-1.0	-42.84	306.67	3.47	-39.37
COCC1=CC=CC=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450483	0	39	-1.0	-44.15	314.66	1.72	-42.43
COCC(C)(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300017450484	0	36	-1.0	-46.07	318.12	2.16	-43.91
COCC(C)(NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017450485	0	35	-1.0	-52.83	343.12	-0.97	-53.80
COCC(C)(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300017450486	0	35	-1.0	-52.49	312.36	1.19	-51.30
COCC(C)(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300017450487	0	43	-1.0	-48.43	344.97	3.50	-44.93
CCC1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450488	0	38	-1.0	-49.37	310.29	3.60	-45.77
COCC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017450489	0	40	-1.0	-50.52	347.13	-0.91	-51.43
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1F	REAL300017450490	0	43	-1.0	-49.35	368.61	0.00	-49.35
CCC(=O)NCC1=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=CC=C1OC	REAL300017450491	0	49	-1.0	-53.61	399.13	1.35	-52.26
CCC1=CC=C(CS(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300017450492	0	41	-1.0	-44.32	336.10	4.64	-39.68
COCC(C)(NS(=O)(=O)C1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300017450493	0	36	-1.0	-44.78	316.68	1.87	-42.91
COCC(C)(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300017450494	0	47	-1.0	-49.64	381.94	2.63	-47.01
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450495	0	41	-1.0	-56.66	350.39	0.61	-56.05
COCC(C)(NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300017450496	0	34	-1.0	-46.08	315.71	2.15	-43.93
COCC(C)(NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300017450497	0	37	-1.0	-46.26	325.74	3.22	-43.04
COCC(C)(NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300017450498	0	37	-1.0	-57.74	327.97	2.78	-54.96
COCC(C)(NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300017450499	0	33	-1.0	-46.06	309.62	3.25	-42.81
CCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1Br	REAL300017450500	0	39	-1.0	-47.93	339.97	3.08	-44.85
COCC(C)(NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017450501	0	46	-1.0	-42.97	387.12	1.76	-41.21
COCC(C)(NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017450502	0	35	-1.0	-50.64	304.27	3.13	-47.51
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450503	0	45	-1.0	-58.21	382.17	4.30	-53.91
COCC(C)(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300017450504	0	41	-1.0	-56.15	314.75	1.23	-54.92
COCC(C)(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300017450505	0	42	-1.0	-48.28	340.83	3.22	-45.06
COCC(C)(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300017450506	0	48	-1.0	-48.12	378.83	4.55	-43.57
COCC(C)(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300017450507	0	46	-1.0	-47.80	362.06	4.55	-43.25
COCC(C)(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300017450508	0	45	-1.0	-48.28	359.87	3.94	-44.34
CCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300017450509	0	42	-1.0	-48.36	339.76	3.25	-45.11
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300017450510	0	36	-1.0	-48.32	313.74	2.05	-46.27
COCC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017450511	0	36	-1.0	-47.93	323.48	2.32	-45.61
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300017450512	0	39	-1.0	-48.68	317.78	2.23	-46.45
COCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300017450513	0	45	-1.0	-48.09	357.50	3.88	-44.21
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300017450514	0	39	-1.0	-45.31	317.29	1.83	-43.48
COCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300017450515	0	43	-1.0	-50.33	352.36	1.67	-48.66
COCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1C	REAL300017450516	0	46	-1.0	-50.42	372.43	2.40	-48.02
COCC(C)(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300017450517	0	35	-1.0	-47.44	298.73	3.23	-44.21
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450518	0	43	-1.0	-61.87	360.12	2.34	-59.53
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300017450519	0	47	-1.0	-51.52	371.78	1.77	-49.75
COCC(C)(NS(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017450520	0	42	-1.0	-58.54	339.28	2.09	-56.45
COCC(C)(NS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300017450521	0	35	-1.0	-42.92	310.22	3.19	-39.73
COCC(C)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300017450522	0	38	-1.0	-44.38	345.43	-0.13	-44.51
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017450523	0	38	-1.0	-45.33	330.95	4.25	-41.08
COCC(C)(NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300017450524	0	33	-1.0	-46.37	304.39	2.99	-43.38
COCC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300017450525	0	35	-1.0	-41.40	308.78	3.12	-38.28
COCC(C)(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300017450526	0	40	-1.0	-59.19	317.38	5.21	-53.98
COCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl)C(=O)[O-]	REAL300017450527	0	38	-1.0	-45.81	338.82	3.08	-42.73
COCC(C)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300017450528	0	41	-1.0	-46.00	348.60	0.06	-45.94
COCC(C)(NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300017450529	0	36	-1.0	-37.23	314.79	3.46	-33.77
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300017450530	0	33	-1.0	-46.99	304.44	2.99	-44.00
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300017450531	0	48	-1.0	-51.72	376.72	3.88	-47.84
COCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300017450532	0	44	-1.0	-59.21	378.35	0.54	-58.67
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300017450533	0	40	-1.0	-51.88	343.98	-1.66	-53.54
COCC(C)(NS(=O)(=O)C1=CC=C(CCNC(C)=O)S1)C(=O)[O-]	REAL300017450534	0	42	-1.0	-56.73	364.75	1.24	-55.49
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017450535	0	35	-1.0	-45.36	310.16	1.35	-44.01
COCC(C)(NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300017450536	0	34	-1.0	-45.45	294.63	0.65	-44.80
COCC(C)(NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450537	1	34	-1.0	-67.40	291.37	4.31	-63.09
COCC(C)(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300017450538	0	35	-1.0	-39.59	326.69	4.21	-35.38
CCOC(=O)C1=C(C)C(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C(C)N1	REAL300017450539	0	45	-1.0	-54.20	367.37	3.04	-51.16
COCC(C)(NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017450540	0	32	-1.0	-51.39	289.21	3.18	-48.21
COCC(C)(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300017450541	0	38	-1.0	-48.87	348.08	2.85	-46.02
COCC(C)(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300017450542	0	52	-1.0	-47.86	401.96	5.78	-42.08
COCC(C)(NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017450543	0	42	-1.0	-60.25	366.64	2.26	-57.99
COCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C)C(=O)[O-]	REAL300017450544	0	41	-1.0	-48.80	342.51	3.18	-45.62
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450545	0	34	-1.0	-55.12	305.06	4.64	-50.48
COCC(C)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300017450546	0	40	-1.0	-47.14	337.75	1.08	-46.06
COCC(C)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300017450547	0	43	-1.0	-48.22	347.43	1.97	-46.25
COCC(C)(NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450548	1	34	-1.0	-50.25	314.91	5.01	-45.24
COCC(C)(NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300017450549	0	40	-1.0	-52.55	334.71	3.07	-49.48
COCC(C)(NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300017450550	0	35	-1.0	-62.89	309.85	3.36	-59.53
COCC(C)(NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300017450551	0	37	-1.0	-50.84	312.32	-1.63	-52.47
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300017450552	0	35	-1.0	-41.39	304.21	3.02	-38.37
CCOC(=O)C1CCCN1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450553	0	43	-1.0	-42.93	338.45	3.47	-39.46
CNC(=O)C1=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=CN1C	REAL300017450554	0	40	-1.0	-50.75	334.25	-0.14	-50.89
COCC(C)(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300017450555	0	42	-1.0	-46.63	327.15	3.15	-43.48
COCC(C)(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300017450556	0	40	-1.0	-44.58	345.29	1.54	-43.04
COCC(C)(NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300017450557	0	41	-1.0	-42.91	348.03	3.86	-39.05
COCC(C)(NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300017450558	0	43	-1.0	-61.48	338.53	2.43	-59.05
COCC(C)(NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300017450559	0	43	-1.0	-50.85	343.02	2.38	-48.47
COCC(C)(NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017450560	0	41	-1.0	-49.01	348.45	3.70	-45.31
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])O1	REAL300017450561	0	38	-1.0	-45.24	332.02	2.28	-42.96
COCC(C)(NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300017450562	0	45	-1.0	-51.76	373.72	3.29	-48.47
COCC(C)(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300017450563	0	42	-1.0	-46.11	337.20	2.56	-43.55
COCC(C)(NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300017450564	0	36	-1.0	-59.50	307.72	3.06	-56.44
CCOC(=O)CCCS(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450565	0	40	-1.0	-42.37	332.54	2.54	-39.83
COCC(C)(NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017450566	0	35	-1.0	-51.68	304.17	4.47	-47.21
COCC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450567	0	34	-1.0	-54.81	309.63	4.74	-50.07
COCC(C)(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450568	0	37	-1.0	-61.84	300.63	4.57	-57.27
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300017450569	0	34	-1.0	-38.09	319.09	3.24	-34.85
COCC(C)(NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017450570	0	29	-1.0	-45.49	278.96	1.70	-43.79
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300017450571	0	36	-1.0	-55.64	309.84	3.03	-52.61
COCC(C)(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300017450572	0	40	-1.0	-57.16	319.93	3.77	-53.39
COCC(C)(NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300017450573	0	34	-1.0	-40.40	305.13	1.83	-38.57
COCC(C)(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300017450574	0	40	-1.0	-47.45	338.56	1.03	-46.42
COCC(C)(NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017450575	0	31	-1.0	-41.03	301.95	1.03	-40.00
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300017450576	0	34	-1.0	-40.52	307.11	2.53	-37.99
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017450577	0	34	-1.0	-44.22	311.79	3.30	-40.92
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450578	0	41	-1.0	-67.40	352.20	1.32	-66.08
CCN1C=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017450579	0	37	-1.0	-55.56	321.27	3.41	-52.15
COCC(C)(NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450580	0	34	-1.0	-45.13	306.88	3.22	-41.91
COCC(C)(NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017450581	0	34	-1.0	-44.78	302.13	2.99	-41.79
COCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300017450582	0	39	-1.0	-49.92	338.30	2.86	-47.06
COCC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450583	0	34	-1.0	-57.60	311.01	4.88	-52.72
COCC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017450584	0	46	-1.0	-49.42	378.64	5.44	-43.98
COCC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017450585	0	40	-1.0	-43.62	350.29	-1.52	-45.14
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450586	0	40	-1.0	-62.11	332.45	3.95	-58.16
CCOC(=O)N1CCN(S(=O)(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300017450587	0	45	-1.0	-57.87	353.48	1.52	-56.35
COCC(C)(NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300017450588	0	41	-1.0	-59.24	349.48	3.74	-55.50
COCC(C)(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017450589	0	42	-1.0	-50.48	354.37	3.70	-46.78
COCC(C)(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300017450590	0	35	-1.0	-61.08	298.41	1.35	-59.73
COCC(C)(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300017450591	0	54	-1.0	-57.82	403.00	5.95	-51.87
COCC(C)(NS(=O)(=O)CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300017450592	0	38	-1.0	-45.33	315.04	3.71	-41.62
COCC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017450593	0	40	-1.0	-55.31	344.72	-1.20	-56.51
COCC(C)(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017450594	0	35	-1.0	-43.65	300.05	3.11	-40.54
COCC(C)(NS(=O)(=O)CC1=CC=CC=C1C)C(=O)[O-]	REAL300017450595	0	38	-1.0	-44.74	309.17	3.77	-40.97
COCC(C)(NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017450596	0	38	-1.0	-53.52	329.21	-0.41	-53.93
CCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C2=CC=CC=C12	REAL300017450597	0	45	-1.0	-48.99	363.87	4.33	-44.66
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450598	0	42	-1.0	-47.99	343.35	3.42	-44.57
COCC(C)(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300017450599	0	37	-1.0	-60.05	315.72	2.43	-57.62
COCC(C)(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017450600	0	39	-1.0	-50.17	329.02	3.23	-46.94
COCC(C)(NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017450601	0	34	-1.0	-46.60	312.60	3.32	-43.28
COCC(C)(NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300017450602	0	33	-1.0	-44.49	296.56	2.03	-42.46
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300017450603	0	46	-1.0	-50.97	373.74	2.68	-48.29
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300017450604	0	48	-1.0	-48.20	382.76	4.81	-43.39
COCC(C)(NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450605	0	34	-1.0	-63.09	297.90	4.81	-58.28
COCC(C)(NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017450606	0	38	-1.0	-48.13	327.52	2.86	-45.27
COCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC)C(=O)[O-]	REAL300017450607	0	42	-1.0	-52.37	354.74	2.50	-49.87
COCC(C)(NS(=O)(=O)C1=CC=C(CC(=O)OC)S1)C(=O)[O-]	REAL300017450608	0	38	-1.0	-53.47	338.02	2.92	-50.55
COCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CS1)C(=O)[O-]	REAL300017450609	0	35	-1.0	-49.63	316.40	2.06	-47.57
COCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C)C(=O)[O-]	REAL300017450610	0	44	-1.0	-50.61	361.24	3.80	-46.81
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017450611	0	38	-1.0	-47.15	335.52	3.23	-43.92
COCC(C)(NS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017450612	0	41	-1.0	-48.06	339.11	3.48	-44.58
COCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F)C(=O)[O-]	REAL300017450613	0	38	-1.0	-47.39	331.19	2.65	-44.74
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300017450614	0	42	-1.0	-59.85	325.78	5.40	-54.45
COCC(C)(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017450615	0	38	-1.0	-47.46	318.45	4.26	-43.20
COCC(C)(NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300017450616	0	31	-1.0	-44.91	283.76	0.95	-43.96
COCC(C)(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300017450617	0	36	-1.0	-45.90	324.58	3.65	-42.25
COCC(C)(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300017450618	0	37	-1.0	-48.43	303.37	1.54	-46.89
COCC(C)(NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300017450619	0	37	-1.0	-47.27	318.04	-2.30	-49.57
COCC(C)(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300017450620	0	46	-1.0	-48.12	380.46	4.20	-43.92
COCC(C)(NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300017450621	0	41	-1.0	-50.13	335.17	2.92	-47.21
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC)C(=O)[O-]	REAL300017450622	0	37	-1.0	-55.16	327.69	2.72	-52.44
COCC(C)(NS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300017450623	0	35	-1.0	-42.50	305.77	2.57	-39.93
COCC(C)(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300017450624	0	39	-1.0	-46.58	341.53	2.80	-43.78
COCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300017450625	0	44	-1.0	-50.06	358.12	3.77	-46.29
CCCCCCN1C=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C(=O)NC1=O	REAL300017450626	0	50	-1.0	-47.08	410.00	2.35	-44.73
COCC(C)(NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300017450627	0	42	-1.0	-47.43	351.81	4.05	-43.38
COCC(C)(NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300017450628	0	39	-1.0	-48.20	344.63	1.89	-46.31
CCS(=O)(=O)NCCS(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450629	0	39	-1.0	-48.19	333.73	-2.93	-51.12
COCC(C)(NS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300017450630	0	35	-1.0	-43.72	305.76	2.58	-41.14
COCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300017450631	0	37	-1.0	-42.73	330.00	3.55	-39.18
COCC(C)(NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017450632	0	29	-1.0	-43.84	274.99	1.27	-42.57
COCC(C)(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017450633	0	38	-1.0	-46.70	325.69	3.81	-42.89
COCC(C)(NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017450634	0	29	-1.0	-38.89	298.78	2.84	-36.05
COCC(C)(NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1)C(=O)[O-]	REAL300017450635	0	35	-1.0	-47.34	313.88	3.80	-43.54
COCC(C)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300017450636	0	35	-1.0	-47.08	324.19	4.24	-42.84
COCC(C)(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017450637	0	38	-1.0	-48.77	333.16	4.98	-43.79
COCC(C)(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017450638	0	35	-1.0	-43.96	328.20	3.68	-40.28
COCC(C)(NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300017450639	0	38	-1.0	-51.64	320.97	5.16	-46.48
COCC(C)(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017450640	0	38	-1.0	-46.31	330.38	4.57	-41.74
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=CN1C	REAL300017450641	0	42	-1.0	-53.35	351.64	3.26	-50.09
CCOC(=O)C1CC2=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=CC=C2O1	REAL300017450642	0	46	-1.0	-52.13	380.96	4.49	-47.64
COCC(C)(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017450643	0	38	-1.0	-51.34	332.49	-0.23	-51.57
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300017450644	0	41	-1.0	-64.68	360.36	2.38	-62.30
COCC(C)(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300017450645	0	45	-1.0	-54.29	374.80	3.73	-50.56
COCC(C)(NS(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1)C(=O)[O-]	REAL300017450646	0	38	-1.0	-48.42	326.14	4.21	-44.21
COCC(C)(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300017450647	0	43	-1.0	-46.78	369.89	-0.61	-47.39
COCC(C)(NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017450648	1	33	-1.0	-47.21	298.44	2.86	-44.35
COCC(C)(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300017450649	0	43	-1.0	-48.75	342.00	2.82	-45.93
COCC(C)(NS(=O)(=O)C1=CN=C(Cl)N1C)C(=O)[O-]	REAL300017450650	0	32	-1.0	-48.66	282.23	1.87	-46.79
COCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300017450651	0	37	-1.0	-44.26	328.37	3.57	-40.69
COCC(C)(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300017450652	0	36	-1.0	-47.82	323.42	3.66	-44.16
COCC(C)(NS(=O)(=O)C1=CN(C)C(Cl)=N1)C(=O)[O-]	REAL300017450653	0	32	-1.0	-49.92	290.57	1.63	-48.29
COCC(C)(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300017450654	0	35	-1.0	-47.24	315.06	2.39	-44.85
COCC(C)(NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017450655	0	44	-1.0	-50.05	370.95	4.82	-45.23
COCC(C)(NS(=O)(=O)C1=CC(N(C)C)=CC=C1Br)C(=O)[O-]	REAL300017450656	0	40	-1.0	-45.40	338.71	2.99	-42.41
COCC(C)(NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300017450657	0	37	-1.0	-46.45	334.64	1.64	-44.81
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300017450658	0	38	-1.0	-58.37	331.53	4.66	-53.71
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450659	0	44	-1.0	-55.02	345.96	2.96	-52.06
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C12	REAL300017450660	0	39	-1.0	-46.26	328.64	-0.11	-46.37
COCC(C)(NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017450661	0	37	-1.0	-46.79	320.45	3.57	-43.22
COCC(C)(NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300017450662	0	38	-1.0	-58.16	321.19	4.21	-53.95
COCC(C)(NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300017450663	0	35	-1.0	-62.57	307.46	2.01	-60.56
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300017450664	0	40	-1.0	-54.92	355.41	0.24	-54.68
COCC(C)(NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017450665	0	31	-1.0	-39.75	297.81	0.97	-38.78
COCC(C)(NS(=O)(=O)C1CCCCC1C(=O)OC)C(=O)[O-]	REAL300017450666	0	44	-1.0	-57.07	345.86	3.54	-53.53
COCC(C)(NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300017450667	0	45	-1.0	-51.09	365.44	4.93	-46.16
COCC(C)(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300017450668	0	39	-1.0	-52.75	316.17	2.83	-49.92
COCC(C)(NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300017450669	0	36	-1.0	-44.82	328.39	3.96	-40.86
COCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300017450670	0	38	-1.0	-46.48	336.08	0.33	-46.15
COCC(C)(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300017450671	0	41	-1.0	-70.60	337.29	6.51	-64.09
CCC1=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C(C(=O)OC)O1	REAL300017450672	0	41	-1.0	-60.41	350.70	3.07	-57.34
COCC(C)(NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300017450673	0	49	-1.0	-64.97	384.27	4.59	-60.38
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300017450674	0	39	-1.0	-45.14	322.87	1.92	-43.22
COCC(C)(NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017450675	0	52	-1.0	-50.58	387.01	4.01	-46.57
COCC(C)(NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017450676	0	46	-1.0	-42.17	361.14	2.63	-39.54
COCC(C)(NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300017450677	0	43	-1.0	-43.99	366.38	3.16	-40.83
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300017450678	0	40	-1.0	-41.99	344.90	3.92	-38.07
COCC(C)(NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300017450679	0	42	-1.0	-41.66	324.78	3.37	-38.29
COCC(C)(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300017450680	0	44	-1.0	-42.84	319.69	3.84	-39.00
COCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300017450681	0	41	-1.0	-44.92	327.59	2.92	-42.00
COCC(C)(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300017450682	0	35	-1.0	-51.81	306.41	1.01	-50.80
COCC(C)(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300017450683	0	36	-1.0	-46.51	303.94	1.56	-44.95
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450684	0	43	-1.0	-50.04	361.91	2.13	-47.91
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450685	0	46	-1.0	-63.38	388.32	3.91	-59.47
COCC(C)(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300017450686	0	41	-1.0	-60.75	324.84	4.75	-56.00
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300017450687	0	46	-1.0	-46.61	387.60	5.47	-41.14
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=CC=C2O1	REAL300017450688	0	47	-1.0	-55.17	393.03	5.37	-49.80
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450689	0	44	-1.0	-48.82	364.37	4.11	-44.71
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017450690	0	32	-1.0	-40.40	307.50	2.91	-37.49
COCC(C)(NS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300017450691	0	32	-1.0	-45.41	297.65	2.53	-42.88
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1F)C(=O)[O-]	REAL300017450692	0	36	-1.0	-46.15	308.56	1.17	-44.98
COCC(C)(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450693	0	40	-1.0	-59.77	328.37	5.31	-54.46
COCC(C)(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300017450694	0	38	-1.0	-50.50	328.41	3.96	-46.54
COCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017450695	0	42	-1.0	-39.87	357.38	4.52	-35.35
CCC1=CC=CC=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450696	0	38	-1.0	-59.83	302.11	4.45	-55.38
COCC(C)(NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300017450697	0	40	-1.0	-51.94	335.15	0.49	-51.45
COCC(C)(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300017450698	0	40	-1.0	-59.11	321.92	3.10	-56.01
COCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300017450699	0	38	-1.0	-48.31	315.58	2.73	-45.58
COCC(C)(NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017450701	0	35	-1.0	-50.15	299.58	3.05	-47.10
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017450702	0	35	-1.0	-44.37	322.91	3.76	-40.61
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017450703	0	35	-1.0	-39.72	316.02	2.89	-36.83
COCC(C)(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300017450704	0	35	-1.0	-46.96	310.16	3.53	-43.43
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450705	0	43	-1.0	-60.84	328.34	-0.11	-60.95
COCC(C)(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300017450706	0	36	-1.0	-46.00	308.27	2.86	-43.14
COCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017450707	0	43	-1.0	-69.98	351.34	2.64	-67.34
COCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017450708	0	44	-1.0	-58.87	361.89	2.66	-56.21
COCC(C)(NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017450709	0	38	-1.0	-45.07	330.91	3.07	-42.00
COCC(C)(NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017450710	0	42	-1.0	-47.17	358.88	1.60	-45.57
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300017450711	0	42	-1.0	-46.14	354.18	2.70	-43.44
COCC(C)(NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300017450712	0	35	-1.0	-40.09	312.42	3.05	-37.04
COCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017450713	0	40	-1.0	-65.98	330.53	4.66	-61.32
COCC(C)(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017450714	0	40	-1.0	-55.14	333.52	3.60	-51.54
COCC(C)(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017450715	0	38	-1.0	-42.62	311.60	-1.97	-44.59
COCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017450716	0	42	-1.0	-51.58	347.69	3.16	-48.42
COCC(C)(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017450717	0	37	-1.0	-53.05	315.36	2.48	-50.57
COCC(C)(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017450718	0	36	-1.0	-49.05	307.08	1.76	-47.29
CCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C(C)=C1	REAL300017450719	0	42	-1.0	-45.31	339.14	2.75	-42.56
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450720	0	40	-1.0	-53.98	344.03	-1.60	-55.58
COCC(C)(NS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-]	REAL300017450721	0	34	-1.0	-57.56	297.38	-2.41	-59.97
COCC(C)(NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300017450722	0	41	-1.0	-63.36	342.24	4.30	-59.06
COCC(C)(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017450723	0	36	-1.0	-47.08	309.17	2.33	-44.75
COCC(C)(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300017450724	0	36	-1.0	-48.03	308.39	3.21	-44.82
CCCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300017450725	0	44	-1.0	-47.42	366.32	4.57	-42.85
CCC(=O)NC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300017450726	0	42	-1.0	-54.51	344.91	2.00	-52.51
COCC(C)(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017450727	0	38	-1.0	-43.32	332.69	4.06	-39.26
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450728	0	43	-1.0	-41.31	333.97	4.46	-36.85
CCN1C=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])N=C1C	REAL300017450729	0	38	-1.0	-54.96	313.82	1.86	-53.10
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017450730	0	31	-1.0	-42.07	297.49	0.86	-41.21
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017450731	0	38	-1.0	-48.33	315.53	1.52	-46.81
COCC(C)(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300017450732	0	37	-1.0	-47.54	308.77	2.17	-45.37
COCC(C)(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017450733	0	44	-1.0	-49.46	363.53	4.23	-45.23
COCC(C)(NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017450734	0	32	-1.0	-47.63	285.17	1.92	-45.71
COCC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017450735	0	32	-1.0	-42.72	298.05	2.52	-40.20
COCC(C)(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017450736	0	38	-1.0	-47.51	322.65	3.71	-43.80
COCC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017450737	0	38	-1.0	-56.15	344.41	3.78	-52.37
COCC(C)(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300017450738	0	40	-1.0	-54.47	335.81	2.41	-52.06
COCC(C)(NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017450739	0	35	-1.0	-43.20	320.03	3.85	-39.35
COCC(C)(NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300017450740	0	36	-1.0	-47.15	307.16	-0.84	-47.99
COCC(C)(NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017450741	0	41	-1.0	-50.81	348.93	5.01	-45.80
COCC1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450742	0	39	-1.0	-50.38	322.46	1.89	-48.49
COCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017450743	0	34	-1.0	-47.61	319.58	3.20	-44.41
COCC(C)(NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300017450744	0	41	-1.0	-49.04	373.26	3.16	-45.88
COCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017450745	0	38	-1.0	-45.42	320.60	3.81	-41.61
COCC(C)(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017450746	0	35	-1.0	-45.74	307.00	3.65	-42.09
COCC(C)(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017450747	0	44	-1.0	-61.45	364.03	0.68	-60.77
COCC(C)(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017450748	0	39	-1.0	-40.36	339.21	2.99	-37.37
COCC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017450749	0	32	-1.0	-40.82	305.99	2.99	-37.83
COCC(C)(NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017450750	0	40	-1.0	-47.25	337.04	-0.36	-47.61
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=CC=C1F	REAL300017450780	0	41	-1.0	-47.92	349.38	3.79	-44.13
COCC(C)(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017450781	0	40	-1.0	-58.80	331.79	3.16	-55.64
COCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017450782	0	32	-1.0	-41.27	290.98	2.43	-38.84
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450783	0	51	-1.0	-67.36	401.79	5.77	-61.59
COCC(C)(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017450784	0	35	-1.0	-47.49	319.75	3.92	-43.57
COCC(C)(NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017450785	0	33	-1.0	-39.00	306.33	2.74	-36.26
COCC(C)(NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300017450786	0	39	-1.0	-51.25	348.88	1.42	-49.83
COCC(C)(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017450787	0	40	-1.0	-48.62	324.45	2.85	-45.77
COCC(C)(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017450788	0	36	-1.0	-42.23	330.99	2.21	-40.02
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450789	0	44	-1.0	-55.94	329.39	5.97	-49.97
COCC(C)(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300017450790	0	44	-1.0	-62.07	360.04	1.55	-60.52
COCC(C)(NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300017450791	0	35	-1.0	-50.64	314.86	1.93	-48.71
COCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017450792	0	41	-1.0	-62.62	353.44	5.16	-57.46
COCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017450793	0	43	-1.0	-48.28	374.65	5.71	-42.57
COCC(C)(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017450794	0	38	-1.0	-57.57	338.06	3.70	-53.87
COCC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017450795	0	38	-1.0	-55.82	354.73	4.23	-51.59
COCC(C)(NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300017450796	0	41	-1.0	-45.89	337.69	3.52	-42.37
COCC(C)(NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017450797	0	34	-1.0	-44.49	317.03	3.55	-40.94
COCC(C)(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300017450798	0	44	-1.0	-55.22	347.80	3.07	-52.15
CCOC(=O)N1CCC(S(=O)(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300017450799	0	46	-1.0	-54.12	360.38	2.16	-51.96
COCC(C)(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300017450800	0	41	-1.0	-52.56	343.48	1.38	-51.18
COCC(C)(NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017450801	0	31	-1.0	-43.16	294.53	1.31	-41.85
COCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017450802	0	35	-1.0	-47.96	300.36	2.96	-45.00
COCC(C)(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300017450803	0	35	-1.0	-48.43	293.42	0.84	-47.59
COCC(C)(NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300017450804	0	36	-1.0	-61.12	298.29	1.89	-59.23
COCC(C)(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017450805	0	40	-1.0	-57.84	323.19	3.32	-54.52
COCC(C)(NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300017450806	0	36	-1.0	-45.21	313.91	1.67	-43.54
COCC(C)(NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300017450807	0	41	-1.0	-62.01	349.49	5.52	-56.49
COCC(C)(NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300017450808	0	41	-1.0	-53.97	344.39	3.62	-50.35
COCC(C)(NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017450809	0	39	-1.0	-45.33	314.04	3.61	-41.72
COCC(C)(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300017450810	0	42	-1.0	-49.72	350.36	3.93	-45.79
COCC(C)(NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017450811	0	47	-1.0	-45.09	391.32	3.65	-41.44
COCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300017450812	0	34	-1.0	-46.90	307.94	2.69	-44.21
COCC(C)(NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017450813	0	43	-1.0	-62.96	346.62	3.24	-59.72
COCC(C)(NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017450814	0	32	-1.0	-42.96	302.14	2.98	-39.98
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017450815	0	32	-1.0	-45.09	304.34	3.27	-41.82
COCC(C)(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300017450816	0	42	-1.0	-63.24	332.80	4.38	-58.86
COCC(C)(NS(=O)(=O)C1=CC=C(C#N)C(C)=C1)C(=O)[O-]	REAL300017450817	0	36	-1.0	-46.94	308.17	3.08	-43.86
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300017450818	0	38	-1.0	-48.80	327.48	2.87	-45.93
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300017450819	0	36	-1.0	-45.69	316.80	2.36	-43.33
COCC(C)(NS(=O)(=O)C1=CC(OC)=CC=C1C)C(=O)[O-]	REAL300017450820	0	39	-1.0	-47.43	317.28	1.83	-45.60
COCC(C)(NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017450821	0	33	-1.0	-46.18	308.68	3.08	-43.10
COCC(C)(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300017450822	0	39	-1.0	-60.67	332.06	3.32	-57.35
COCC(C)(NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300017450823	0	38	-1.0	-55.07	346.54	3.38	-51.69
COCC(C)(NS(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1)C(=O)[O-]	REAL300017450824	0	39	-1.0	-50.17	329.13	1.29	-48.88
COCC(C)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017450825	0	40	-1.0	-45.40	344.16	1.56	-43.84
COCC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017450826	0	36	-1.0	-48.00	313.69	1.83	-46.17
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017450827	0	35	-1.0	-44.64	312.55	3.25	-41.39
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1C	REAL300017450828	0	43	-1.0	-51.89	360.53	-0.76	-52.65
COCC(C)(NS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300017450829	0	36	-1.0	-65.57	311.67	3.84	-61.73
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300017450830	0	36	-1.0	-43.56	318.20	1.80	-41.76
COCC(C)(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017450831	0	37	-1.0	-55.61	324.25	-2.14	-57.75
COCC(C)(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300017450832	0	38	-1.0	-46.67	311.30	1.07	-45.60
COCC(C)(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300017450833	0	38	-1.0	-54.07	321.75	3.75	-50.32
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017450834	0	32	-1.0	-40.02	302.33	2.87	-37.15
COCC(C)(NS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300017450835	0	38	-1.0	-43.63	304.16	3.93	-39.70
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017450836	0	32	-1.0	-40.51	304.02	3.09	-37.42
COCC(C)(NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300017450837	0	42	-1.0	-47.78	350.15	-0.72	-48.50
COCC(C)(NS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300017450838	0	30	-1.0	-46.52	280.87	1.87	-44.65
COCC(C)(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017450839	0	33	-1.0	-47.20	298.39	0.04	-47.16
COCC(C)(NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300017450840	0	35	-1.0	-47.95	292.01	-0.37	-48.32
COCC(C)(NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017450841	0	32	-1.0	-45.60	299.47	2.46	-43.14
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300017450842	0	42	-1.0	-49.24	350.23	2.90	-46.34
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017450843	0	36	-1.0	-52.66	318.69	-0.46	-53.12
CCOC1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450844	0	39	-1.0	-57.52	320.67	2.91	-54.61
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300017450845	0	43	-1.0	-50.47	351.42	3.08	-47.39
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300017450846	0	36	-1.0	-46.37	324.89	3.37	-43.00
COCC(C)(NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300017450883	0	33	-1.0	-43.36	306.01	2.41	-40.95
COCC(C)(NS(=O)(=O)C1=CC(C#N)=CC=C1C)C(=O)[O-]	REAL300017450884	0	36	-1.0	-42.68	308.55	2.92	-39.76
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017450885	0	46	-1.0	-51.28	371.21	1.96	-49.32
COCC(C)(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017450886	0	40	-1.0	-58.41	343.23	3.80	-54.61
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017450887	0	37	-1.0	-44.92	312.50	3.48	-41.44
COCC(C)(NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300017450888	0	35	-1.0	-43.20	309.82	3.16	-40.04
COCC(C)(NS(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017450889	0	35	-1.0	-48.94	310.50	1.27	-47.67
COCC(C)(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300017450890	0	43	-1.0	-53.26	356.20	2.88	-50.38
COCC(C)(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300017450891	0	34	-1.0	-48.15	299.49	1.64	-46.51
COCC(C)(NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300017450892	0	42	-1.0	-56.02	345.51	2.91	-53.11
COCC(C)(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300017450893	0	33	-1.0	-54.06	289.20	1.23	-52.83
COCC(C)(NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017450894	0	42	-1.0	-59.57	341.32	2.02	-57.55
COCC(C)(NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-]	REAL300017450895	0	34	-1.0	-39.43	294.87	1.99	-37.44
COCC(C)(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300017450896	0	37	-1.0	-47.45	316.78	2.53	-44.92
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2)C(=O)[O-]	REAL300017450897	0	38	-1.0	-46.74	318.90	-0.51	-47.25
COCC(C)(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300017450898	0	44	-1.0	-49.45	340.56	2.78	-46.67
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300017450899	0	34	-1.0	-45.54	302.16	1.39	-44.15
COCC(C)(NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300017450900	0	35	-1.0	-43.77	306.89	3.02	-40.75
COCC(C)(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300017450901	0	40	-1.0	-54.95	324.80	2.58	-52.37
COCC(C)(NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017450902	0	34	-1.0	-45.35	298.11	1.41	-43.94
COCC(C)(NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300017450903	0	38	-1.0	-51.12	318.79	1.30	-49.82
COCC(C)(NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017450904	0	31	-1.0	-46.88	288.75	2.01	-44.87
COCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017450905	0	41	-1.0	-48.52	341.65	3.96	-44.56
COCC(C)(NS(=O)(=O)C1=CC=CC(C)=C1C#N)C(=O)[O-]	REAL300017450906	0	36	-1.0	-47.12	308.58	2.46	-44.66
COCC(C)(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300017450907	0	40	-1.0	-50.41	326.48	0.86	-49.55
COCC(C)(NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300017450908	0	33	-1.0	-46.38	308.37	2.78	-43.60
COCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300017450909	0	38	-1.0	-61.72	317.57	4.04	-57.68
COCC(C)(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017450910	0	40	-1.0	-70.80	323.58	4.55	-66.25
CCC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1CC	REAL300017450911	0	44	-1.0	-48.79	345.29	4.75	-44.04
COCC(C)(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300017450912	0	40	-1.0	-43.58	325.02	4.56	-39.02
COCC(C)(NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300017450913	0	35	-1.0	-43.95	304.36	2.94	-41.01
COCC(C)(NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017450914	0	38	-1.0	-49.29	334.42	1.60	-47.69
COCC(C)(NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300017450915	0	35	-1.0	-48.90	301.66	2.70	-46.20
COCC(C)(NS(=O)(=O)C1=C(C)C=CC=C1F)C(=O)[O-]	REAL300017450916	0	35	-1.0	-49.08	290.01	3.33	-45.75
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300017450917	0	33	-1.0	-46.42	296.30	-0.27	-46.69
CCC1=NC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])S1	REAL300017450918	0	34	-1.0	-47.03	298.95	0.92	-46.11
COCC(C)(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300017450919	0	38	-1.0	-63.21	319.54	4.15	-59.06
COCC(C)(NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300017450920	0	34	-1.0	-57.17	303.66	1.55	-55.62
COCC(C)(NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017450921	1	34	-1.0	-54.03	304.99	0.59	-53.44
COCC(C)(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300017450922	0	38	-1.0	-46.15	314.28	3.68	-42.47
COCC(C)(NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300017450923	0	40	-1.0	-58.42	326.99	0.69	-57.73
COCC(C)(NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-]	REAL300017450924	0	43	-1.0	-44.72	328.13	0.86	-43.86
COCC(C)(NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017450925	0	39	-1.0	-53.69	329.78	2.33	-51.36
COCC(C)(NS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300017450926	0	31	-1.0	-45.09	279.18	0.85	-44.24
COCC(C)(NS(=O)(=O)C1=CC=CC(C)=C1F)C(=O)[O-]	REAL300017450927	0	35	-1.0	-46.23	299.40	2.51	-43.72
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300017450928	0	43	-1.0	-49.56	349.99	4.01	-45.55
COCC(C)(NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017450929	0	35	-1.0	-44.71	315.68	3.60	-41.11
COCC(C)(NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017450930	0	35	-1.0	-40.39	316.23	3.60	-36.79
COCC(C)(NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017450931	0	32	-1.0	-51.74	285.25	3.03	-48.71
COCC(C)(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300017450932	0	35	-1.0	-47.26	295.27	2.98	-44.28
COCC(C)(NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300017450933	0	35	-1.0	-44.43	308.20	0.15	-44.28
COCC(C)(NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300017450934	0	36	-1.0	-45.69	319.78	3.47	-42.22
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300017450935	0	37	-1.0	-46.96	318.22	0.98	-45.98
COCC(C)(NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017450936	0	31	-1.0	-47.61	288.26	1.54	-46.07
COCC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300017450937	0	39	-1.0	-49.45	322.45	1.90	-47.55
COCC(C)(NS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300017450938	0	37	-1.0	-42.31	320.20	2.46	-39.85
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017450939	0	38	-1.0	-47.72	339.01	3.41	-44.31
COCC(C)(NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C(=O)[O-]	REAL300017450940	0	35	-1.0	-41.28	317.19	-0.14	-41.42
CCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=N1	REAL300017450941	0	38	-1.0	-46.66	316.51	-0.14	-46.80
COCC(C)(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017450942	0	41	-1.0	-61.12	352.46	0.38	-60.74
COCC(C)(NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017450943	0	39	-1.0	-68.56	331.63	1.73	-66.83
COCC(C)(NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017450944	0	46	-1.0	-62.39	358.30	3.77	-58.62
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300017450945	0	35	-1.0	-47.68	300.35	0.49	-47.19
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300017450946	0	38	-1.0	-55.22	325.66	4.49	-50.73
COCC(C)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300017450947	0	42	-1.0	-48.22	360.75	-0.63	-48.85
COCC(C)(NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300017450948	0	49	-1.0	-56.38	380.62	4.22	-52.16
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017450949	0	41	-1.0	-48.76	352.33	3.69	-45.07
COCC(C)(NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300017450950	0	41	-1.0	-43.79	345.45	4.33	-39.46
COCC(C)(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300017450951	0	35	-1.0	-47.27	309.75	3.22	-44.05
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017450952	0	35	-1.0	-39.93	311.04	3.58	-36.35
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450953	0	46	-1.0	-62.31	380.91	0.88	-61.43
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450954	0	45	-1.0	-52.39	376.61	3.43	-48.96
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=CC=C1C	REAL300017450955	0	44	-1.0	-47.94	360.99	4.41	-43.53
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450956	0	44	-1.0	-63.91	368.24	5.04	-58.87
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1OC	REAL300017450957	0	43	-1.0	-58.63	366.71	2.49	-56.14
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C(F)C=C1C	REAL300017450958	0	44	-1.0	-44.42	369.80	4.16	-40.26
COCC(C)(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017450959	0	38	-1.0	-42.47	331.88	4.36	-38.11
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450960	0	41	-1.0	-47.26	353.05	3.57	-43.69
COCC(C)(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017450961	0	42	-1.0	-47.67	341.95	5.63	-42.04
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300017450962	0	46	-1.0	-51.22	386.52	-0.04	-51.26
COCC(C)(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017450963	0	35	-1.0	-45.46	310.21	3.77	-41.69
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=CN1C	REAL300017450964	0	44	-1.0	-51.63	370.60	3.45	-48.18
COCC(C)(NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017450965	0	36	-1.0	-49.78	317.66	2.82	-46.96
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017450966	0	35	-1.0	-48.62	299.56	3.04	-45.58
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300017450967	0	34	-1.0	-52.61	298.63	2.06	-50.55
COCC(C)(NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017450968	0	35	-1.0	-53.30	305.16	1.47	-51.83
COCC(C)(NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017450969	0	33	-1.0	-44.72	291.61	0.96	-43.76
COCC(C)(NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	REAL300017450970	0	40	-1.0	-49.30	318.84	2.24	-47.06
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450971	0	45	-1.0	-63.90	361.64	3.51	-60.39
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300017450972	0	38	-1.0	-45.31	333.85	2.54	-42.77
COCC(C)(NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300017450973	0	43	-1.0	-49.18	370.76	1.29	-47.89
COCC(C)(NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300017450974	0	47	-1.0	-48.06	381.23	5.12	-42.94
COCC(C)(NS(=O)(=O)CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300017450975	0	38	-1.0	-44.63	314.62	3.87	-40.76
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300017450976	0	44	-1.0	-53.47	371.11	1.39	-52.08
COCC(C)(NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-]	REAL300017450977	0	44	-1.0	-43.09	338.33	4.00	-39.09
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450978	0	39	-1.0	-47.30	339.31	2.48	-44.82
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017450979	0	38	-1.0	-45.30	322.65	3.70	-41.60
COCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300017450980	0	43	-1.0	-46.72	374.77	5.72	-41.00
COCC(C)(NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300017450981	0	41	-1.0	-54.23	344.34	3.60	-50.63
COCC(C)(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300017450982	0	42	-1.0	-43.26	314.46	3.80	-39.46
COCC(C)(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300017450983	0	38	-1.0	-44.84	331.33	4.28	-40.56
COCC(C)(NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	REAL300017450984	0	41	-1.0	-43.29	328.13	2.71	-40.58
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300017450985	0	32	-1.0	-45.23	301.16	2.49	-42.74
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450986	0	45	-1.0	-51.24	377.35	2.62	-48.62
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300017450987	0	48	-1.0	-50.95	399.22	3.54	-47.41
COCC(C)(NS(=O)(=O)CC1(C(=O)OC)CCCCC1)C(=O)[O-]	REAL300017450988	0	47	-1.0	-44.39	350.62	4.37	-40.02
COCC(C)(NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017450989	0	40	-1.0	-51.64	341.30	3.05	-48.59
COCC(C)(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450990	1	34	-1.0	-56.15	298.69	1.29	-54.86
COCC(C)(NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300017450991	0	36	-1.0	-47.72	306.41	2.47	-45.25
COCC(C)(NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300017450992	0	45	-1.0	-52.23	367.21	6.01	-46.22
COCC(C)(NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300017450993	0	35	-1.0	-45.73	313.97	3.58	-42.15
COCC(C)(NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300017450994	0	42	-1.0	-41.66	344.85	4.54	-37.12
COCC(C)(NS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300017450995	0	44	-1.0	-41.40	333.94	3.92	-37.48
COCC(C)(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017450996	0	36	-1.0	-47.42	317.55	3.96	-43.46
COCC(C)(NS(=O)(=O)CCCC(C)(F)F)C(=O)[O-]	REAL300017450997	0	37	-1.0	-41.39	309.35	2.51	-38.88
COCC(C)(NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300017450998	0	41	-1.0	-42.59	336.63	4.61	-37.98
COCC(C)(NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300017451000	0	36	-1.0	-51.31	316.13	-2.35	-53.66
CC1=CC=C(CS(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475225	0	35	-1.0	-40.25	303.48	4.73	-35.52
N#CCC1=CC=C(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)C=C1	REAL300017475226	0	33	-1.0	-61.97	296.01	4.93	-57.04
COC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC(F)=C1F	REAL300017475227	0	35	-1.0	-50.79	319.67	4.47	-46.32
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C[C@H](F)C1	REAL300017475228	0	41	-1.0	-42.63	337.95	4.73	-37.90
O=C([O-])[C@]1(NS(=O)(=O)N2CCC3(CCCCC3)CC2)C[C@H](F)C1	REAL300017475229	0	47	-1.0	-53.56	340.83	6.04	-47.52
CC1=NC2=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=CC=C2C=C1	REAL300017475230	0	37	-1.0	-50.35	317.86	4.44	-45.91
O=C([O-])[C@]1(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475231	0	37	-1.0	-47.69	316.93	5.21	-42.48
O=C([O-])[C@]1(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)C[C@H](F)C1	REAL300017475232	0	40	-1.0	-55.49	330.93	2.25	-53.24
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475233	0	43	-1.0	-59.95	377.89	4.85	-55.10
CCCN1C=NC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475234	0	35	-1.0	-49.18	302.38	4.07	-45.11
N#CC1=CC(F)=C(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)C=C1Br	REAL300017475235	0	30	-1.0	-49.67	290.02	4.41	-45.26
N#CC1=C(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)C=CS1	REAL300017475236	0	27	-1.0	-37.61	264.23	2.49	-35.12
O=C([O-])[C@]1(NS(=O)(=O)CC2CCC(F)CC2)C[C@H](F)C1	REAL300017475237	0	38	-1.0	-41.39	301.54	4.48	-36.91
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1Cl	REAL300017475238	0	32	-1.0	-51.55	289.07	4.86	-46.69
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C[C@H](F)C1	REAL300017475239	0	35	-1.0	-45.16	301.84	4.25	-40.91
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C2)=N1	REAL300017475240	0	38	-1.0	-43.92	339.49	4.76	-39.16
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1F	REAL300017475241	0	35	-1.0	-60.82	318.41	4.66	-56.16
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475242	0	38	-1.0	-56.92	324.58	4.79	-52.13
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475243	0	35	-1.0	-39.62	310.40	5.11	-34.51
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)C[C@H](F)C1	REAL300017475244	0	32	-1.0	-41.07	297.47	4.57	-36.50
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C[C@H](F)C1	REAL300017475245	0	29	-1.0	-37.05	292.34	4.41	-32.64
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475246	0	36	-1.0	-46.23	309.54	0.74	-45.49
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475247	0	44	-1.0	-43.27	363.06	5.60	-37.67
CCC1CCN(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CC1	REAL300017475248	0	40	-1.0	-52.74	309.59	4.83	-47.91
O=C([O-])[C@]1(NS(=O)(=O)CCC2=CC=C(F)C=C2)C[C@H](F)C1	REAL300017475249	0	35	-1.0	-39.44	304.65	4.87	-34.57
O=C([O-])[C@]1(NS(=O)(=O)CCC2=CC=CC=C2F)C[C@H](F)C1	REAL300017475250	0	35	-1.0	-42.65	304.47	4.85	-37.80
O=C([O-])[C@]1(NS(=O)(=O)CCC2=CC=CC=C2Cl)C[C@H](F)C1	REAL300017475251	0	35	-1.0	-40.84	312.00	5.22	-35.62
COC1=CC2=C(C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1)C(=O)NCCC2	REAL300017475252	0	44	-1.0	-59.92	342.92	3.07	-56.85
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)S2)C1	REAL300017475253	0	40	-1.0	-44.17	342.99	3.78	-40.39
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)SC2=CC=C(C#N)C=C12	REAL300017475254	0	36	-1.0	-56.41	329.24	6.06	-50.35
COC1CCN(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CC1	REAL300017475255	0	38	-1.0	-54.92	306.67	2.40	-52.52
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC(F)=CC=C2Br)C[C@H](F)C1	REAL300017475256	0	32	-1.0	-40.47	300.53	4.68	-35.79
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475257	0	42	-1.0	-60.26	344.88	5.47	-54.79
CC(CC(F)(F)F)CS(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475258	0	34	-1.0	-36.23	289.58	3.48	-32.75
O=C([O-])[C@]1(NS(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C[C@H](F)C1	REAL300017475259	0	36	-1.0	-45.79	321.29	5.26	-40.53
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=C2)=N1	REAL300017475260	0	41	-1.0	-62.33	348.16	3.80	-58.53
COC1=CC(F)=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475261	0	33	-1.0	-38.58	274.87	3.48	-35.10
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)O1	REAL300017475262	0	35	-1.0	-45.13	311.52	3.25	-41.88
CCC1=NC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CN1CC1CC1	REAL300017475263	0	42	-1.0	-57.96	353.92	6.05	-51.91
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C2C1	REAL300017475264	0	40	-1.0	-50.12	337.87	3.79	-46.33
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=C(C3CC3)S2)C[C@H](F)C1	REAL300017475265	0	32	-1.0	-41.43	292.94	2.82	-38.61
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C[C@H](F)C1	REAL300017475266	0	32	-1.0	-52.08	304.05	3.09	-48.99
CCCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C(C)C	REAL300017475267	0	48	-1.0	-54.91	385.27	6.82	-48.09
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C)=C1[N+](=O)[O-]	REAL300017475268	0	37	-1.0	-50.90	319.10	6.07	-44.83
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475269	0	36	-1.0	-40.61	289.55	2.68	-37.93
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C[C@H](F)C1	REAL300017475270	0	42	-1.0	-42.19	356.13	5.58	-36.61
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C[C@H](F)C1	REAL300017475271	0	43	-1.0	-46.54	371.57	6.64	-39.90
COC(CS(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1)C1=CC=C(F)C=C1	REAL300017475272	0	39	-1.0	-41.77	336.84	4.01	-37.76
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CC3)C[C@H](F)C1	REAL300017475273	0	41	-1.0	-42.43	337.96	4.69	-37.74
COC(=O)NC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1Cl	REAL300017475274	0	37	-1.0	-40.56	335.21	2.17	-38.39
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=CC=C12	REAL300017475275	0	41	-1.0	-57.49	347.28	6.68	-50.81
COC(=O)NC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C	REAL300017475276	0	40	-1.0	-60.48	339.01	2.96	-57.52
O=C([O-])[C@]1(NS(=O)(=O)CC2(C(F)F)CCCC2)C[C@H](F)C1	REAL300017475277	0	38	-1.0	-37.91	302.27	4.51	-33.40
CCOC1(CS(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CCOCC1	REAL300017475278	0	43	-1.0	-39.90	335.15	2.21	-37.69
CCOC(CS(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1)C1CC1	REAL300017475279	0	39	-1.0	-58.79	319.37	4.04	-54.75
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1F	REAL300017475280	1	35	-1.0	-51.49	321.02	4.50	-46.99
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=C(Cl)C=C21	REAL300017475281	0	40	-1.0	-58.09	348.41	5.45	-52.64
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475282	0	32	-1.0	-41.06	294.85	1.93	-39.13
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C[C@H](F)C1	REAL300017475283	0	40	-1.0	-59.01	354.72	7.88	-51.13
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475284	0	32	-1.0	-54.44	297.21	5.36	-49.08
CC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1Br	REAL300017475285	0	32	-1.0	-54.32	291.12	5.11	-49.21
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475286	0	35	-1.0	-56.25	311.94	4.84	-51.41
O=C([O-])[C@]1(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)C[C@H](F)C1	REAL300017475287	0	37	-1.0	-43.66	312.52	0.94	-42.72
COC1=CC(Br)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475288	0	33	-1.0	-53.01	304.58	3.68	-49.33
COC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1[N+](=O)[O-]	REAL300017475289	0	35	-1.0	-40.97	309.27	4.01	-36.96
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475290	0	35	-1.0	-39.89	306.39	4.93	-34.96
COCCN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=N1	REAL300017475291	0	36	-1.0	-40.91	312.96	0.77	-40.14
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475292	0	42	-1.0	-50.11	337.40	4.85	-45.26
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C[C@H](F)C1	REAL300017475293	0	36	-1.0	-56.55	318.82	4.32	-52.23
O=C([O-])[C@]1(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C[C@H](F)C1	REAL300017475294	0	37	-1.0	-40.20	326.46	5.48	-34.72
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(F)C(Br)=C2)C[C@H](F)C1	REAL300017475295	0	29	-1.0	-38.06	280.24	3.94	-34.12
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC=C(F)C=C2F)C[C@H](F)C1	REAL300017475296	0	32	-1.0	-53.37	290.31	4.70	-48.67
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C[C@H](F)C1	REAL300017475297	0	36	-1.0	-53.64	318.20	1.15	-52.49
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC=C21	REAL300017475298	0	38	-1.0	-40.39	329.51	4.26	-36.13
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475299	0	32	-1.0	-39.69	290.74	4.68	-35.01
COCC1=CC=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475300	0	36	-1.0	-55.01	304.63	4.01	-51.00
COC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1Br	REAL300017475301	0	33	-1.0	-39.99	303.66	3.25	-36.74
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C(Cl)S1	REAL300017475302	0	32	-1.0	-59.89	324.52	0.91	-58.98
O=C([O-])[C@]1(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C[C@H](F)C1	REAL300017475303	0	32	-1.0	-43.24	297.68	2.26	-40.98
CC1(C)CC2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC=C2O1	REAL300017475304	0	40	-1.0	-44.08	331.05	4.55	-39.53
CCC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475305	0	35	-1.0	-40.94	296.50	4.73	-36.21
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475306	0	37	-1.0	-46.56	331.97	0.03	-46.53
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475307	0	40	-1.0	-45.67	353.44	0.92	-44.75
CCC(=O)NCC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1OC	REAL300017475308	0	46	-1.0	-62.28	384.50	2.93	-59.35
CCC1=CC=C(CS(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475309	0	38	-1.0	-43.20	322.28	5.44	-37.76
COC1=CC=C(Br)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475310	0	33	-1.0	-56.60	302.40	3.84	-52.76
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C[C@H](F)C1	REAL300017475311	0	44	-1.0	-52.15	367.78	4.17	-47.98
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475312	0	38	-1.0	-49.37	335.91	1.69	-47.68
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C[C@H](F)C1	REAL300017475313	0	31	-1.0	-39.18	301.24	3.17	-36.01
CC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1Br	REAL300017475314	0	34	-1.0	-39.02	310.34	4.31	-34.71
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475315	0	34	-1.0	-48.57	309.92	4.14	-44.43
N#CC1=CC(Br)=CC(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)=C1	REAL300017475316	0	30	-1.0	-35.75	295.74	4.28	-31.47
CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1Br	REAL300017475317	0	36	-1.0	-41.76	325.01	4.17	-37.59
O=C([O-])[C@]1(NS(=O)(=O)CCNC(=O)OCC2=CC=CC=C2)C[C@H](F)C1	REAL300017475318	0	43	-1.0	-40.75	370.93	2.75	-38.00
O=C([O-])[C@]1(NS(=O)(=O)CC2=C(F)C=CC=C2F)C[C@H](F)C1	REAL300017475319	0	32	-1.0	-60.21	288.68	4.69	-55.52
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475320	0	42	-1.0	-42.05	360.83	4.98	-37.07
CC1(C)CN(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CCO1	REAL300017475321	0	38	-1.0	-52.39	299.67	2.57	-49.82
COC1=C(C)C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C	REAL300017475322	0	39	-1.0	-43.95	327.75	4.17	-39.78
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475323	0	45	-1.0	-53.04	365.66	6.08	-46.96
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C[C@H](F)C1	REAL300017475324	0	43	-1.0	-53.54	349.26	5.99	-47.55
CC(C)COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475325	0	42	-1.0	-53.26	346.71	5.47	-47.79
CCCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475326	0	39	-1.0	-53.49	326.88	4.76	-48.73
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1Cl	REAL300017475327	0	33	-1.0	-42.55	299.13	3.15	-39.40
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C[C@H](F)C1	REAL300017475328	0	33	-1.0	-42.57	308.88	3.42	-39.15
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C	REAL300017475329	0	36	-1.0	-53.95	303.30	3.79	-50.16
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1OC(C)C	REAL300017475330	0	42	-1.0	-53.54	343.70	5.41	-48.13
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C)=C1	REAL300017475331	0	36	-1.0	-56.01	299.88	3.80	-52.21
COCCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475332	0	40	-1.0	-55.40	339.01	3.23	-52.17
COCCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C	REAL300017475333	0	43	-1.0	-55.24	358.79	3.99	-51.25
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC=CC=C2F)C[C@H](F)C1	REAL300017475334	0	32	-1.0	-46.52	282.84	4.07	-42.45
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)=C1	REAL300017475335	0	40	-1.0	-52.41	344.50	2.94	-49.47
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C[C@H](F)C1	REAL300017475336	0	44	-1.0	-47.13	357.15	2.69	-44.44
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475337	0	39	-1.0	-53.79	325.94	3.16	-50.63
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(Br)=C1	REAL300017475338	0	32	-1.0	-53.75	296.80	5.34	-48.41
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475339	0	35	-1.0	-60.19	332.84	2.03	-58.16
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475340	0	35	-1.0	-41.68	313.96	5.20	-36.48
N#CC1=CC=C(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)C=C1Cl	REAL300017475341	0	30	-1.0	-37.94	289.82	4.09	-33.85
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475342	0	32	-1.0	-53.67	291.84	5.13	-48.54
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1C	REAL300017475343	0	37	-1.0	-56.55	307.19	6.57	-49.98
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475344	0	35	-1.0	-61.73	326.85	5.18	-56.55
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475345	0	38	-1.0	-64.53	330.81	2.23	-62.30
N#CC1=CC=C(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)C(C(F)(F)F)=C1	REAL300017475346	0	33	-1.0	-49.17	297.90	5.65	-43.52
N#CC1=CC(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)=CC=C1Cl	REAL300017475347	0	30	-1.0	-55.65	290.28	4.53	-51.12
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475348	0	45	-1.0	-41.66	363.06	4.94	-36.72
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C[C@H](F)C1	REAL300017475349	0	41	-1.0	-56.37	363.40	1.64	-54.73
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475350	0	37	-1.0	-46.41	329.85	-0.54	-46.95
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475351	0	39	-1.0	-64.01	349.32	2.63	-61.38
COC(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)O1	REAL300017475352	0	32	-1.0	-55.99	294.09	2.76	-53.23
CC1=NC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475353	0	31	-1.0	-41.66	279.36	1.82	-39.84
O=C([O-])[C@]1(NS(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475354	1	31	-1.0	-62.92	277.91	5.18	-57.74
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C[C@H](F)C1	REAL300017475355	0	32	-1.0	-38.22	312.86	5.00	-33.22
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C(C)N1	REAL300017475356	0	42	-1.0	-46.12	344.44	3.69	-42.43
O=C([O-])[C@]1(NS(=O)(=O)C2=C(F)C=CC=C2Br)C[C@H](F)C1	REAL300017475357	0	29	-1.0	-54.51	271.53	4.54	-49.97
CC1=NC(C2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)S2)=CS1	REAL300017475358	0	35	-1.0	-55.07	332.73	4.31	-50.76
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C[C@H](F)C1	REAL300017475359	0	49	-1.0	-41.70	388.33	6.90	-34.80
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(C(=O)NCC(F)(F)F)=CC=C2)C[C@H](F)C1	REAL300017475360	0	39	-1.0	-48.18	351.01	2.86	-45.32
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475361	0	38	-1.0	-66.90	325.78	5.23	-61.67
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475362	0	31	-1.0	-38.90	287.29	5.10	-33.80
COC1=CC(F)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1OC	REAL300017475363	0	37	-1.0	-54.18	323.06	3.20	-50.98
COC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1OC	REAL300017475364	0	40	-1.0	-45.66	331.36	3.39	-42.27
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475365	1	31	-1.0	-50.64	302.48	6.08	-44.56
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475366	0	37	-1.0	-60.66	298.74	5.67	-54.99
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C[C@H](F)C1	REAL300017475367	0	32	-1.0	-51.64	290.88	4.02	-47.62
CN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C(N)=O	REAL300017475368	0	34	-1.0	-56.45	296.33	-0.06	-56.51
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475369	0	32	-1.0	-53.75	287.29	5.02	-48.73
CCOC(=O)C1CCCN1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475370	0	40	-1.0	-40.97	323.22	4.42	-36.55
CNC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CN1C	REAL300017475371	0	37	-1.0	-56.48	318.34	1.43	-55.05
COC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C)=C1	REAL300017475372	0	39	-1.0	-42.39	313.89	4.29	-38.10
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)C[C@H](F)C1	REAL300017475373	0	37	-1.0	-59.22	331.92	3.71	-55.51
COC(=O)C1=CC=C(CS(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475374	0	38	-1.0	-41.56	332.27	4.71	-36.85
COC(=O)C1CCN(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CC1	REAL300017475375	0	40	-1.0	-58.76	327.19	3.48	-55.28
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C[C@H](F)C1	REAL300017475376	0	40	-1.0	-55.56	329.24	3.88	-51.68
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475377	0	38	-1.0	-65.75	332.87	5.28	-60.47
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)O1	REAL300017475378	0	35	-1.0	-56.12	316.22	3.69	-52.43
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475379	0	42	-1.0	-58.49	360.84	4.80	-53.69
COC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C	REAL300017475380	0	39	-1.0	-45.85	323.38	4.09	-41.76
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C3COC(=O)C3=C2)C[C@H](F)C1	REAL300017475381	0	33	-1.0	-50.05	291.95	3.66	-46.39
CCOC(=O)CCCS(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475382	0	37	-1.0	-39.49	315.65	3.52	-35.97
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C[C@H](F)C1	REAL300017475383	0	32	-1.0	-54.66	292.09	5.89	-48.77
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475384	0	31	-1.0	-38.92	291.84	5.21	-33.71
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475385	0	34	-1.0	-43.91	286.63	5.67	-38.24
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)C[C@H](F)C1	REAL300017475386	0	31	-1.0	-46.62	303.61	5.35	-41.27
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Br)C=CS2)C[C@H](F)C1	REAL300017475387	0	26	-1.0	-38.44	260.72	2.95	-35.49
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC3=C2COC3=O)C[C@H](F)C1	REAL300017475388	0	33	-1.0	-53.02	294.27	4.18	-48.84
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C2=CC=CN=C2C=C1	REAL300017475389	0	37	-1.0	-54.84	299.38	4.80	-50.04
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC=C(Cl)N=C2)C[C@H](F)C1	REAL300017475390	0	31	-1.0	-39.10	289.00	2.68	-36.42
O=C([O-])[C@]1(NS(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)C[C@H](F)C1	REAL300017475391	0	37	-1.0	-53.52	324.15	3.18	-50.34
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Br)=CN=C2Cl)C[C@H](F)C1	REAL300017475392	0	28	-1.0	-38.28	284.03	2.56	-35.72
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C[C@H](F)C1	REAL300017475393	0	31	-1.0	-47.23	290.52	4.62	-42.61
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)C[C@H](F)C1	REAL300017475394	0	31	-1.0	-37.95	297.65	4.41	-33.54
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475395	0	38	-1.0	-59.33	336.51	2.37	-56.96
CCN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C([N+](=O)[O-])=N1	REAL300017475396	0	34	-1.0	-50.92	306.10	4.56	-46.36
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475397	0	31	-1.0	-42.40	288.23	4.84	-37.56
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C[C@H](F)C1	REAL300017475398	0	31	-1.0	-53.95	288.39	4.49	-49.46
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C[C@H](F)C1	REAL300017475399	0	36	-1.0	-39.82	325.27	3.97	-35.85
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475400	0	31	-1.0	-53.36	294.40	5.88	-47.48
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C[C@H](F)C1	REAL300017475401	0	43	-1.0	-42.68	364.83	6.58	-36.10
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(F)=C1	REAL300017475402	0	37	-1.0	-58.67	334.96	0.65	-58.02
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475403	0	37	-1.0	-49.87	316.67	4.57	-45.30
CCOC(=O)N1CCN(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CC1	REAL300017475404	0	42	-1.0	-57.69	343.44	2.48	-55.21
COC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C2=CC=C(Cl)N=C2C=C1	REAL300017475405	0	38	-1.0	-55.24	334.49	4.80	-50.44
O=C([O-])[C@]1(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C[C@H](F)C1	REAL300017475406	0	39	-1.0	-58.79	340.27	5.21	-53.58
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=C3NC=CC=C23)C[C@H](F)C1	REAL300017475407	0	32	-1.0	-61.20	282.95	2.44	-58.76
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475408	0	51	-1.0	-53.96	389.49	7.13	-46.83
CC1=CC=CC(CS(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475409	0	35	-1.0	-57.78	299.47	5.29	-52.49
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475410	0	37	-1.0	-47.31	330.21	-0.10	-47.41
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC=CC(F)=C2)C[C@H](F)C1	REAL300017475411	0	32	-1.0	-41.33	283.15	4.08	-37.25
CC1=CC=CC=C1CS(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475412	0	35	-1.0	-42.40	291.69	4.71	-37.69
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1F	REAL300017475413	0	35	-1.0	-41.97	318.06	0.81	-41.16
CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C2=CC=CC=C12	REAL300017475414	0	42	-1.0	-56.36	346.80	6.38	-49.98
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475415	0	39	-1.0	-44.55	325.70	4.62	-39.93
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C[C@H](F)C1	REAL300017475416	0	34	-1.0	-44.27	302.37	3.45	-40.82
O=C([O-])[C@]1(NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C[C@H](F)C1	REAL300017475417	0	36	-1.0	-45.34	313.94	4.29	-41.05
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)C[C@H](F)C1	REAL300017475418	0	31	-1.0	-43.10	298.11	4.40	-38.70
N#CC1=C(F)C=CC=C1S(=O)(=O)N[C@@]1(C(=O)[O-])C[C@H](F)C1	REAL300017475419	0	30	-1.0	-38.89	280.23	3.49	-35.40
CCOCCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475420	0	43	-1.0	-55.37	360.86	4.19	-51.18
CCCCCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475421	0	45	-1.0	-53.10	369.61	6.34	-46.76
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475422	1	31	-1.0	-57.98	284.49	5.80	-52.18
COC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1F	REAL300017475423	0	35	-1.0	-42.81	312.94	3.97	-38.84
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475424	0	39	-1.0	-66.40	338.78	4.35	-62.05
COC(=O)CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475425	0	35	-1.0	-61.02	323.79	4.39	-56.63
COC(=O)C1=CSC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475426	0	32	-1.0	-40.23	301.74	3.00	-37.23
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475427	0	41	-1.0	-45.97	338.96	5.03	-40.94
COC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1Cl	REAL300017475428	0	35	-1.0	-41.68	320.92	4.34	-37.34
COC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1C	REAL300017475429	0	38	-1.0	-40.70	324.46	4.48	-36.22
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475430	0	35	-1.0	-56.78	304.28	4.15	-52.63
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC3=C2CCCC3)C[C@H](F)C1	REAL300017475431	0	39	-1.0	-57.15	311.70	6.58	-50.57
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C[C@H](F)C1	REAL300017475432	0	35	-1.0	-55.05	306.29	5.58	-49.47
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=CC(Br)=C2)C[C@H](F)C1	REAL300017475433	0	28	-1.0	-38.63	269.57	2.02	-36.61
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C[C@H](F)C1	REAL300017475434	0	33	-1.0	-53.51	310.13	5.21	-48.30
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C3COCC3=C2)C[C@H](F)C1	REAL300017475435	0	34	-1.0	-55.08	289.79	3.06	-52.02
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)C[C@H](F)C1	REAL300017475436	0	34	-1.0	-55.74	304.49	-0.77	-56.51
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C2S1	REAL300017475437	0	43	-1.0	-54.62	367.38	5.75	-48.87
COC(=O)CC1(CS(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CC1	REAL300017475438	0	38	-1.0	-46.46	322.38	3.84	-42.62
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475439	0	34	-1.0	-51.38	312.68	3.86	-47.52
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C(F)C=C1F	REAL300017475440	0	32	-1.0	-53.82	275.49	4.23	-49.59
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475441	0	36	-1.0	-58.22	323.58	4.85	-53.37
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC=C21	REAL300017475442	0	41	-1.0	-44.63	344.86	4.82	-39.81
CCCCCCN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(=O)NC1=O	REAL300017475443	0	47	-1.0	-50.76	380.37	4.09	-46.67
CC1=CN(C2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C2F)N=C1	REAL300017475444	0	39	-1.0	-44.15	338.71	5.31	-38.84
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475445	0	36	-1.0	-57.59	328.22	3.05	-54.54
CCS(=O)(=O)NCCS(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475446	0	36	-1.0	-44.66	316.83	-1.95	-46.61
CC1=CC(F)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475447	0	32	-1.0	-54.60	291.07	4.70	-49.90
CC1=CC(Cl)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1[N+](=O)[O-]	REAL300017475448	0	34	-1.0	-59.06	315.72	5.66	-53.40
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(Br)O2)C[C@H](F)C1	REAL300017475449	1	26	-1.0	-55.18	259.54	2.66	-52.52
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)OC2=CC=C(F)C=C12	REAL300017475450	0	35	-1.0	-46.50	310.37	5.22	-41.28
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Cl)SC(Br)=C2)C[C@H](F)C1	REAL300017475451	0	26	-1.0	-49.94	283.99	4.13	-45.81
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C[C@H](F)C1	REAL300017475452	0	32	-1.0	-53.73	298.71	5.24	-48.49
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C[C@H](F)C1	REAL300017475453	0	32	-1.0	-53.71	308.97	5.67	-48.04
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C2=CC(Cl)=CC=C2S1	REAL300017475454	0	35	-1.0	-39.94	316.41	6.01	-33.93
O=C([O-])[C@]1(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C[C@H](F)C1	REAL300017475455	0	32	-1.0	-52.26	312.98	5.78	-46.48
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C[C@H](F)C1	REAL300017475456	0	35	-1.0	-44.46	303.31	6.22	-38.24
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C[C@H](F)C1	REAL300017475457	0	35	-1.0	-43.60	314.28	6.01	-37.59
CCOC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CN1C	REAL300017475458	0	39	-1.0	-64.84	337.14	4.81	-60.03
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC=C2O1	REAL300017475459	0	43	-1.0	-44.61	367.64	5.53	-39.08
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475460	0	35	-1.0	-50.73	319.19	0.83	-49.90
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475461	0	38	-1.0	-49.98	344.53	3.30	-46.68
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475462	0	42	-1.0	-45.63	361.18	4.86	-40.77
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)SC2=CC=CC(F)=C12	REAL300017475463	0	35	-1.0	-55.54	310.52	6.03	-49.51
O=C([O-])[C@]1(NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C[C@H](F)C1	REAL300017475464	0	40	-1.0	-43.72	353.73	0.41	-43.31
N#CC1=CC(F)=C(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)C(F)=C1	REAL300017475465	1	30	-1.0	-37.17	279.86	3.85	-33.32
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1N(C)C	REAL300017475466	0	40	-1.0	-41.58	328.92	3.94	-37.64
CN1C(Cl)=NC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475467	0	29	-1.0	-45.66	265.67	3.08	-42.58
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475468	0	34	-1.0	-61.15	313.01	5.49	-55.66
CSC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1Cl	REAL300017475469	0	33	-1.0	-42.36	308.82	4.76	-37.60
CN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)N=C1Cl	REAL300017475470	0	29	-1.0	-64.25	274.88	2.97	-61.28
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@]1(C(=O)[O-])C[C@H](F)C1	REAL300017475471	0	32	-1.0	-53.74	298.73	4.49	-49.25
O=C([O-])[C@]1(NS(=O)(=O)CCC(=O)OCC2=CC=CC=C2)C[C@H](F)C1	REAL300017475472	0	41	-1.0	-47.66	354.88	5.81	-41.85
CN(C)C1=CC=C(Br)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475473	0	37	-1.0	-42.76	324.61	4.31	-38.45
CC1=NN2C=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=NC2=C1Cl	REAL300017475474	0	34	-1.0	-43.81	309.56	2.90	-40.91
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475475	0	35	-1.0	-40.60	314.06	5.21	-35.39
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475476	0	41	-1.0	-50.83	333.00	4.12	-46.71
CCC1=NOC2=NC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C12	REAL300017475477	0	36	-1.0	-42.03	315.33	0.96	-41.07
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC([N+](=O)[O-])=C1F	REAL300017475478	0	34	-1.0	-42.32	306.03	4.60	-37.72
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475479	0	35	-1.0	-40.50	303.73	4.77	-35.73
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C[C@H](F)C1	REAL300017475480	0	32	-1.0	-73.04	292.81	3.58	-69.46
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475481	0	37	-1.0	-70.51	340.01	2.09	-68.42
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=C(Cl)C=C2Cl)C[C@H](F)C1	REAL300017475482	0	28	-1.0	-37.62	279.89	2.51	-35.11
COC(=O)C1CCCCC1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475483	0	41	-1.0	-65.26	320.95	5.10	-60.16
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C2)CC1	REAL300017475484	0	42	-1.0	-41.66	352.14	5.90	-35.76
O=C([O-])[C@]1(NS(=O)(=O)C2=CN3CCCCC3=N2)C[C@H](F)C1	REAL300017475485	0	36	-1.0	-48.00	299.41	3.20	-44.80
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N[C@@]1(C(=O)[O-])C[C@H](F)C1	REAL300017475486	0	33	-1.0	-41.56	312.60	4.82	-36.74
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C[C@H](F)C1	REAL300017475487	0	35	-1.0	-39.55	322.35	1.29	-38.26
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C[C@H](F)C1	REAL300017475488	0	38	-1.0	-51.36	323.02	6.88	-44.48
CCC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C(C(=O)OC)O1	REAL300017475489	0	38	-1.0	-45.82	333.25	3.61	-42.21
O=C([O-])[C@]1(NS(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)C[C@H](F)C1	REAL300017475490	0	46	-1.0	-56.92	365.35	5.13	-51.79
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C)=C1F	REAL300017475491	0	36	-1.0	-52.50	303.97	3.85	-48.65
O=C([O-])[C@]1(NS(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C[C@H](F)C1	REAL300017475492	0	49	-1.0	-49.59	372.81	4.74	-44.85
O=C([O-])[C@]1(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C[C@H](F)C1	REAL300017475493	0	43	-1.0	-41.05	342.29	3.42	-37.63
O=C([O-])[C@]1(NS(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)C[C@H](F)C1	REAL300017475494	0	40	-1.0	-61.99	354.29	4.66	-57.33
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475495	0	37	-1.0	-39.07	325.53	5.37	-33.70
N#CC1(CS(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)CCCCC1	REAL300017475496	0	39	-1.0	-41.77	308.89	4.22	-37.55
CC1(CS(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CCCCC1	REAL300017475497	0	41	-1.0	-39.01	302.80	4.83	-34.18
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)C[C@H](F)C1	REAL300017475498	0	38	-1.0	-45.01	312.67	4.71	-40.30
O=C([O-])[C@]1(NS(=O)(=O)C2=CN(CC(F)F)N=C2)C[C@H](F)C1	REAL300017475499	0	32	-1.0	-39.75	291.74	2.06	-37.69
COC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1F	REAL300017475500	0	33	-1.0	-40.43	289.47	2.65	-37.78
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475501	0	40	-1.0	-60.32	346.18	3.88	-56.44
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475502	0	43	-1.0	-59.48	372.22	5.11	-54.37
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475503	0	38	-1.0	-41.53	304.88	5.19	-36.34
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C[C@H](F)C1	REAL300017475504	0	43	-1.0	-58.17	371.38	7.15	-51.02
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC=C2O1	REAL300017475505	0	44	-1.0	-52.01	378.07	6.47	-45.54
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475506	0	41	-1.0	-66.58	346.86	6.12	-60.46
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C[C@H](F)C1	REAL300017475507	0	29	-1.0	-37.43	289.93	4.46	-32.97
CC1=C(Cl)SC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475508	0	29	-1.0	-38.56	281.83	3.56	-35.00
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(F)=C1	REAL300017475509	0	33	-1.0	-52.60	291.79	3.25	-49.35
CC1=CC=C(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1[N+](=O)[O-]	REAL300017475510	0	37	-1.0	-55.16	310.32	6.54	-48.62
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C[C@H](F)C1	REAL300017475511	0	35	-1.0	-39.33	313.98	5.06	-34.27
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C)=C1[N+](=O)[O-]	REAL300017475512	0	39	-1.0	-39.88	342.25	6.20	-33.68
CCC1=CC=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475513	0	35	-1.0	-57.39	287.68	5.61	-51.78
COC(=O)NC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475514	0	37	-1.0	-55.15	321.28	2.01	-53.14
CN(C)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475515	0	37	-1.0	-43.74	306.83	3.70	-40.04
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)C[C@H](F)C1	REAL300017475516	0	35	-1.0	-42.69	297.33	3.75	-38.94
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC(C(F)F)=C2)C[C@H](F)C1	REAL300017475518	0	32	-1.0	-53.31	285.92	4.62	-48.69
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C[C@H](F)C1	REAL300017475519	0	32	-1.0	-36.51	309.56	4.78	-31.73
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C[C@H](F)C1	REAL300017475520	0	32	-1.0	-48.96	301.04	4.95	-44.01
CC1=CC(Br)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475521	0	32	-1.0	-40.81	297.02	4.56	-36.25
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475522	0	40	-1.0	-39.71	308.32	0.91	-38.80
CSC1=CC=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475523	0	33	-1.0	-43.89	292.60	4.25	-39.64
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475524	0	40	-1.0	-64.84	333.25	3.85	-60.99
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C[C@H](F)C1	REAL300017475525	0	41	-1.0	-45.15	351.32	2.92	-42.23
COC1=C(F)C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1[N+](=O)[O-]	REAL300017475526	0	35	-1.0	-41.98	317.89	4.10	-37.88
COC(=O)NC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1[N+](=O)[O-]	REAL300017475527	0	39	-1.0	-42.41	343.76	2.53	-39.88
COC(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(OC)=C1	REAL300017475528	0	39	-1.0	-42.60	323.12	4.07	-38.53
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475529	0	32	-1.0	-54.88	300.40	5.46	-49.42
CC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1[N+](=O)[O-]	REAL300017475530	0	37	-1.0	-65.81	317.84	5.76	-60.05
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)C[C@H](F)C1	REAL300017475531	0	37	-1.0	-52.08	317.36	4.61	-47.47
O=C([O-])[C@]1(NS(=O)(=O)C2CCS(=O)(=O)CC2)C[C@H](F)C1	REAL300017475532	0	35	-1.0	-60.78	293.91	0.21	-60.57
CN1C(=O)N(C)C2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC=C21	REAL300017475533	0	39	-1.0	-44.94	333.53	4.20	-40.74
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C[C@H](F)C1	REAL300017475534	0	34	-1.0	-40.06	301.85	3.48	-36.58
COC1=CC(F)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(F)=C1	REAL300017475535	1	33	-1.0	-41.68	290.06	2.82	-38.86
CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C)=C1	REAL300017475536	0	39	-1.0	-55.67	321.74	4.73	-50.94
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475537	0	37	-1.0	-50.81	330.40	-0.55	-51.36
CS(=O)(=O)CCS(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475538	0	31	-1.0	-62.91	281.78	-0.85	-63.76
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475539	0	38	-1.0	-55.81	324.36	5.45	-50.36
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC=C2OC(F)F)C[C@H](F)C1	REAL300017475540	0	33	-1.0	-56.86	294.45	3.86	-53.00
CSC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475541	0	33	-1.0	-40.64	293.78	4.32	-36.32
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475542	0	41	-1.0	-40.62	351.87	5.66	-34.96
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475543	0	39	-1.0	-57.85	331.05	3.50	-54.35
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C[C@H](F)C1	REAL300017475544	0	35	-1.0	-40.63	316.21	5.05	-35.58
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475545	0	40	-1.0	-39.79	320.13	5.51	-34.28
CCN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)N=C1C	REAL300017475546	0	35	-1.0	-46.73	300.28	3.02	-43.71
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(Cl)N=C2Cl)C[C@H](F)C1	REAL300017475547	0	28	-1.0	-46.62	284.14	3.07	-43.55
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC3=C2OCCO3)C[C@H](F)C1	REAL300017475548	0	35	-1.0	-44.99	296.98	2.98	-42.01
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC3=NC=CC=C23)C[C@H](F)C1	REAL300017475549	0	34	-1.0	-55.45	291.83	4.24	-51.21
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C[C@H](F)C1	REAL300017475550	0	41	-1.0	-58.02	349.06	5.76	-52.26
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC(F)=C2F)C[C@H](F)C1	REAL300017475551	0	29	-1.0	-46.56	255.24	3.08	-43.48
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Br)=CC=C2F)C[C@H](F)C1	REAL300017475552	0	29	-1.0	-53.71	270.08	4.16	-49.55
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C(F)(F)F	REAL300017475553	0	35	-1.0	-38.17	307.67	4.80	-33.37
O=C([O-])[C@]1(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C[C@H](F)C1	REAL300017475554	0	35	-1.0	-41.14	326.98	4.02	-37.12
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C12	REAL300017475555	0	37	-1.0	-43.70	319.57	2.97	-40.73
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC=C(Br)C=C2F)C[C@H](F)C1	REAL300017475556	0	32	-1.0	-39.68	304.10	4.71	-34.97
CC1=NOC2=NC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C12	REAL300017475557	0	33	-1.0	-42.13	293.51	0.22	-41.91
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(CCCCl)C=C2)C[C@H](F)C1	REAL300017475558	0	38	-1.0	-41.26	335.12	6.14	-35.12
COCC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475559	0	36	-1.0	-41.74	308.81	3.00	-38.74
O=C([O-])[C@]1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)C[C@H](F)C1	REAL300017475560	0	31	-1.0	-38.51	298.84	4.54	-33.97
COC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C(C(=O)OC)S1	REAL300017475561	0	38	-1.0	-45.80	352.18	4.41	-41.39
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475562	0	35	-1.0	-58.71	306.04	5.30	-53.41
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC=CC=C2Cl)C[C@H](F)C1	REAL300017475563	0	32	-1.0	-42.80	290.24	4.49	-38.31
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C[C@H](F)C1	REAL300017475564	0	41	-1.0	-57.00	351.08	1.90	-55.10
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C[C@H](F)C1	REAL300017475565	0	36	-1.0	-37.82	322.74	3.81	-34.01
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Br)=CC=C2Cl)C[C@H](F)C1	REAL300017475566	0	29	-1.0	-52.72	290.39	4.99	-47.73
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CN=C21	REAL300017475567	0	37	-1.0	-39.33	323.26	0.64	-38.69
CCOC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1F	REAL300017475597	0	38	-1.0	-55.58	335.01	5.37	-50.21
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C[C@H](F)C1	REAL300017475598	0	37	-1.0	-54.76	319.84	4.40	-50.36
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(F)=CC=C2Cl)C[C@H](F)C1	REAL300017475599	0	29	-1.0	-54.01	275.90	4.51	-49.50
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475600	0	48	-1.0	-62.08	385.96	7.09	-54.99
O=C([O-])[C@]1(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C[C@H](F)C1	REAL300017475601	0	32	-1.0	-44.29	304.51	4.98	-39.31
N#CC1=CC=C(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)C(Cl)=C1	REAL300017475602	0	30	-1.0	-49.76	292.90	4.92	-44.84
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1Cl	REAL300017475603	0	36	-1.0	-54.32	331.27	3.36	-50.96
CC1CC2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC=C2O1	REAL300017475604	0	37	-1.0	-42.01	311.05	3.92	-38.09
COC1=CC(Cl)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1Cl	REAL300017475605	0	33	-1.0	-40.47	314.93	3.61	-36.86
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475606	0	41	-1.0	-51.85	308.47	6.91	-44.94
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475607	0	41	-1.0	-58.94	341.88	2.57	-56.37
COC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CS1	REAL300017475608	0	32	-1.0	-45.64	301.59	2.95	-42.69
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475609	0	38	-1.0	-58.47	338.10	6.22	-52.25
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C[C@H](F)C1	REAL300017475610	0	40	-1.0	-55.01	360.21	7.17	-47.84
O=C([O-])[C@]1(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C[C@H](F)C1	REAL300017475611	0	35	-1.0	-45.21	321.39	3.98	-41.23
O=C([O-])[C@]1(NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C[C@H](F)C1	REAL300017475612	0	35	-1.0	-41.17	337.30	4.48	-36.69
COC(=O)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1C	REAL300017475613	0	38	-1.0	-53.94	318.43	5.01	-48.93
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)C[C@H](F)C1	REAL300017475614	0	31	-1.0	-53.91	303.28	5.05	-48.86
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475615	0	41	-1.0	-43.90	333.34	3.68	-40.22
CCOC(=O)N1CCC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CC1	REAL300017475616	0	43	-1.0	-42.11	349.57	3.36	-38.75
CC1=NC(C2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C2)=CO1	REAL300017475617	0	38	-1.0	-45.47	330.14	2.34	-43.13
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)C[C@H](F)C1	REAL300017475618	0	28	-1.0	-38.01	280.65	2.30	-35.71
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=CC=CC=C3O2)C[C@H](F)C1	REAL300017475619	0	32	-1.0	-58.78	284.53	4.35	-54.43
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C3OCOC3=C2)C[C@H](F)C1	REAL300017475620	0	32	-1.0	-57.18	280.43	2.46	-54.72
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=C3CCCN23)C[C@H](F)C1	REAL300017475621	0	33	-1.0	-53.20	280.56	3.73	-49.47
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C3OCCCC3=C2)C[C@H](F)C1	REAL300017475622	0	37	-1.0	-55.70	307.74	4.36	-51.34
COC1=CC=C(Cl)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475623	0	33	-1.0	-43.28	296.83	3.03	-40.25
COC(=O)C1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C2=CC=CC=C2S1	REAL300017475624	0	38	-1.0	-57.34	335.32	6.63	-50.71
COC(=O)CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475625	0	38	-1.0	-60.58	331.13	5.23	-55.35
O=C([O-])[C@]1(NS(=O)(=O)C2CC3=CC=CC=C3C2)C[C@H](F)C1	REAL300017475626	0	36	-1.0	-43.22	299.01	5.12	-38.10
CC1=CC=C(N2C=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=N2)C=C1	REAL300017475627	0	39	-1.0	-56.73	336.80	5.54	-51.19
O=C([O-])[C@]1(NS(=O)(=O)C2CN(C(=O)OCC3=CC=CC=C3)C2)C[C@H](F)C1	REAL300017475628	0	44	-1.0	-59.76	381.40	5.06	-54.70
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475629	0	31	-1.0	-37.34	291.74	3.68	-33.66
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C21	REAL300017475630	0	40	-1.0	-60.04	334.27	4.41	-55.63
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC(Cl)=C2Br)C[C@H](F)C1	REAL300017475631	0	29	-1.0	-50.64	290.22	5.12	-45.52
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C[C@H](F)C1	REAL300017475632	0	29	-1.0	-37.83	289.38	4.36	-33.47
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475633	0	39	-1.0	-44.46	317.18	4.98	-39.48
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1C#N	REAL300017475634	0	33	-1.0	-51.96	293.70	4.66	-47.30
COC(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475635	0	35	-1.0	-45.69	313.41	3.97	-41.72
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475636	0	33	-1.0	-51.35	282.60	4.48	-46.87
COC1=CC=C(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475637	0	36	-1.0	-60.97	299.19	3.90	-57.07
N#CC1=CC=C(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)C=C1Br	REAL300017475638	0	30	-1.0	-37.47	293.74	4.17	-33.30
COC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1Cl	REAL300017475639	0	36	-1.0	-59.62	317.65	4.28	-55.34
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475640	0	35	-1.0	-42.87	330.86	4.16	-38.71
CC(=O)NC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475641	0	36	-1.0	-44.60	315.81	2.26	-42.34
COC1=CC(Cl)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1OC	REAL300017475642	0	37	-1.0	-42.96	328.13	2.98	-39.98
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C[C@H](F)C1	REAL300017475643	0	33	-1.0	-44.45	299.56	2.93	-41.52
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C[C@H](F)C1	REAL300017475644	0	32	-1.0	-36.28	298.42	4.34	-31.94
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C	REAL300017475645	0	40	-1.0	-48.07	345.20	0.24	-47.83
N#CCC1=CC=CC(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)=C1	REAL300017475646	0	33	-1.0	-41.99	295.50	4.45	-37.54
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(Br)=C1	REAL300017475647	0	33	-1.0	-52.94	304.83	3.98	-48.96
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=N1	REAL300017475648	0	34	-1.0	-62.25	310.83	-0.76	-63.01
CC1=CC2=C(C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1)OCO2	REAL300017475649	0	35	-1.0	-43.03	294.18	2.67	-40.36
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475650	0	35	-1.0	-49.80	306.71	4.97	-44.83
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(Cl)C=C2Cl)C[C@H](F)C1	REAL300017475651	0	29	-1.0	-49.45	288.88	5.02	-44.43
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475652	0	35	-1.0	-38.85	284.85	4.73	-34.12
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Cl)=CC=C2Br)C[C@H](F)C1	REAL300017475653	0	29	-1.0	-52.43	288.89	5.03	-47.40
COC1=CC2=C(C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1)OCC(=O)N2	REAL300017475654	0	39	-1.0	-52.99	316.38	1.17	-51.82
N#CC1=CC=C(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)S1	REAL300017475655	0	27	-1.0	-53.34	265.85	3.30	-50.04
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC3=NSN=C32)C[C@H](F)C1	REAL300017475656	0	30	-1.0	-44.19	267.58	1.88	-42.31
COC1=CN=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475657	0	32	-1.0	-53.41	278.64	1.10	-52.31
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC(Br)=C2F)C[C@H](F)C1	REAL300017475658	0	29	-1.0	-43.18	269.81	3.66	-39.52
COC(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1OC	REAL300017475659	0	39	-1.0	-43.45	335.82	3.98	-39.47
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475660	0	33	-1.0	-42.90	304.47	0.58	-42.32
CCOC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475661	0	36	-1.0	-59.74	304.88	4.01	-55.73
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=C2O1	REAL300017475662	0	40	-1.0	-46.72	332.16	4.53	-42.19
N#CC1=CC(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)=CC=C1C(F)(F)F	REAL300017475663	0	33	-1.0	-48.46	310.71	4.92	-43.54
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N[C@@]1(C(=O)[O-])C[C@H](F)C1	REAL300017475700	0	30	-1.0	-38.63	287.48	3.74	-34.89
CC1=CC=C(C#N)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475701	0	33	-1.0	-60.67	290.99	4.87	-55.80
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C(=O)N(C)C	REAL300017475702	0	43	-1.0	-51.90	356.83	3.18	-48.72
CC1CC2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC(Cl)=C2O1	REAL300017475703	0	37	-1.0	-41.50	326.76	4.37	-37.13
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1[N+](=O)[O-]	REAL300017475704	0	34	-1.0	-50.39	300.69	5.07	-45.32
CC1=CC=C(Br)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475705	0	32	-1.0	-40.63	292.33	4.71	-35.92
COC(=O)C1=COC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475706	0	32	-1.0	-54.86	295.01	2.67	-52.19
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=N1	REAL300017475707	0	40	-1.0	-60.23	341.62	4.44	-55.79
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=C3C=CSC3=C2)C[C@H](F)C1	REAL300017475708	0	31	-1.0	-54.34	285.81	3.15	-51.19
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475709	0	39	-1.0	-52.03	320.52	3.50	-48.53
COC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)SC=C1	REAL300017475710	0	30	-1.0	-58.99	273.30	2.79	-56.20
CC(=O)NC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1C	REAL300017475711	0	39	-1.0	-52.21	327.28	3.02	-49.19
O=C([O-])[C@]1(NS(=O)(=O)CCCC(F)(F)F)C[C@H](F)C1	REAL300017475712	0	31	-1.0	-36.90	280.86	3.07	-33.83
O=C([O-])[C@]1(NS(=O)(=O)CC2=NOC3=CC=CC=C32)C[C@H](F)C1	REAL300017475713	0	34	-1.0	-44.29	300.83	3.41	-40.88
O=C([O-])[C@]1(NS(=O)(=O)C2=C3NC(=O)COC3=CC=C2)C[C@H](F)C1	REAL300017475714	0	35	-1.0	-54.10	303.61	1.50	-52.60
CN1CCCC2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C21	REAL300017475715	0	41	-1.0	-57.44	327.88	4.32	-53.12
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C[C@H](F)C1	REAL300017475716	0	31	-1.0	-40.87	289.02	2.46	-38.41
CC1=CC=C(Cl)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475717	0	32	-1.0	-40.91	290.90	4.42	-36.49
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475718	0	37	-1.0	-45.79	304.07	3.73	-42.06
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CN=C1Cl	REAL300017475719	0	31	-1.0	-48.25	285.08	3.03	-45.22
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C[C@H](F)C1	REAL300017475720	0	35	-1.0	-56.31	305.12	2.81	-53.50
O=C([O-])[C@]1(NS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C[C@H](F)C1	REAL300017475721	0	28	-1.0	-35.84	274.86	3.08	-32.76
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475722	0	38	-1.0	-55.87	326.20	5.36	-50.51
CC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1C#N	REAL300017475723	0	33	-1.0	-40.66	291.40	3.85	-36.81
COC1=CC(OC)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475724	0	37	-1.0	-46.49	313.09	1.89	-44.60
N#CC1=CC=C(Cl)C(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)=C1	REAL300017475725	0	30	-1.0	-39.13	290.33	4.17	-34.96
CN1C=NC2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC=C21	REAL300017475726	0	35	-1.0	-58.17	302.64	5.13	-53.04
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C2=NC=CC=C2C=C1	REAL300017475727	0	37	-1.0	-66.03	305.82	5.54	-60.49
CCC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1CC	REAL300017475728	0	41	-1.0	-41.75	330.28	5.86	-35.89
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475729	0	37	-1.0	-38.22	306.73	5.43	-32.79
CC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1Cl	REAL300017475730	0	32	-1.0	-41.73	288.81	4.34	-37.39
COC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C(C)O1	REAL300017475731	0	35	-1.0	-60.33	314.28	3.41	-56.92
CC1=C(C)SC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475732	0	32	-1.0	-41.76	286.84	3.75	-38.01
CC1=CC=CC(F)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475733	0	32	-1.0	-43.13	273.18	4.17	-38.96
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475734	0	30	-1.0	-40.86	276.11	0.66	-40.20
CCC1=NC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475735	0	31	-1.0	-51.96	283.27	2.31	-49.65
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C[C@H](F)C1	REAL300017475736	0	35	-1.0	-59.07	302.77	5.17	-53.90
COC(=O)C1=NSC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475737	0	31	-1.0	-41.37	289.30	1.99	-39.38
COC(=O)C1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)SC=N1	REAL300017475738	1	31	-1.0	-53.13	289.67	2.23	-50.90
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC(C)=C1F	REAL300017475739	0	35	-1.0	-39.67	300.61	4.64	-35.03
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C[C@H](F)C1	REAL300017475740	0	37	-1.0	-59.53	313.32	2.22	-57.31
O=C([O-])[C@]1(NS(=O)(=O)N2CCC3(CC2)OCCO3)C[C@H](F)C1	REAL300017475741	0	40	-1.0	-41.92	313.83	1.99	-39.93
COC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CN1C	REAL300017475742	0	36	-1.0	-64.72	314.92	3.88	-60.84
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=CC(Cl)=C2)C[C@H](F)C1	REAL300017475743	0	28	-1.0	-38.96	265.34	1.93	-37.03
CC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1F	REAL300017475744	0	32	-1.0	-59.44	269.14	4.18	-55.26
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475745	0	40	-1.0	-40.67	336.21	5.11	-35.56
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC(Cl)=CC=C2F)C[C@H](F)C1	REAL300017475746	0	32	-1.0	-42.37	298.78	4.57	-37.80
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC=C(F)C(Cl)=C2)C[C@H](F)C1	REAL300017475747	0	32	-1.0	-37.77	302.24	4.71	-33.06
O=C([O-])[C@]1(NS(=O)(=O)C2=C(F)C=CC=C2Cl)C[C@H](F)C1	REAL300017475748	0	29	-1.0	-55.76	269.00	4.41	-51.35
CC1=CC(F)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475749	0	32	-1.0	-42.59	281.56	4.01	-38.58
COC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CN=C1Cl	REAL300017475750	0	32	-1.0	-42.00	294.42	1.19	-40.81
N#CC1=CC=C(F)C(CS(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)=C1	REAL300017475751	0	33	-1.0	-43.36	303.46	4.47	-38.89
COC(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=N1	REAL300017475752	0	34	-1.0	-43.05	304.48	2.03	-41.02
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Cl)C=CN=C2Cl)C[C@H](F)C1	REAL300017475753	1	28	-1.0	-38.83	272.27	2.67	-36.16
COCC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475754	0	36	-1.0	-55.40	308.89	3.50	-51.90
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475755	0	34	-1.0	-51.34	286.46	4.34	-47.00
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475756	0	35	-1.0	-40.19	325.83	4.45	-35.74
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Cl)C=C3NC(=O)OC3=C2)C[C@H](F)C1	REAL300017475757	0	32	-1.0	-40.38	299.02	1.23	-39.15
CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=N1	REAL300017475758	0	35	-1.0	-42.85	302.78	0.83	-42.02
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475759	0	38	-1.0	-68.01	338.79	1.96	-66.05
CC(=O)NC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1F	REAL300017475760	0	36	-1.0	-47.26	314.66	2.23	-45.03
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C21	REAL300017475761	0	43	-1.0	-63.64	347.36	5.44	-58.20
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC3=C2OCO3)C[C@H](F)C1	REAL300017475762	0	32	-1.0	-54.87	270.11	2.93	-51.94
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475763	0	35	-1.0	-53.20	309.61	5.53	-47.67
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475764	0	39	-1.0	-61.78	326.42	1.48	-60.30
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C2CC1	REAL300017475765	0	46	-1.0	-43.64	365.87	5.17	-38.47
COC(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C(F)(F)F	REAL300017475766	0	38	-1.0	-39.46	338.18	4.74	-34.72
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475767	0	38	-1.0	-41.37	329.65	5.69	-35.68
O=C([O-])[C@]1(NS(=O)(=O)C2=CSC3=CC=CC=C23)C[C@H](F)C1	REAL300017475768	0	32	-1.0	-54.17	276.75	4.68	-49.49
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C[C@H](F)C1	REAL300017475769	0	32	-1.0	-52.23	294.65	5.79	-46.44
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475770	0	43	-1.0	-51.77	365.13	1.50	-50.27
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475771	0	42	-1.0	-66.72	361.11	5.19	-61.53
CCOC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1C	REAL300017475772	0	41	-1.0	-51.61	346.69	5.87	-45.74
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475773	0	41	-1.0	-44.20	352.43	5.65	-38.55
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1OC	REAL300017475774	0	40	-1.0	-54.95	351.95	3.59	-51.36
CCOC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C(F)C=C1C	REAL300017475775	0	41	-1.0	-53.15	341.03	5.72	-47.43
O=C([O-])[C@]1(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)C[C@H](F)C1	REAL300017475776	0	35	-1.0	-56.93	316.29	5.93	-51.00
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475777	0	38	-1.0	-61.99	340.99	5.56	-56.43
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C[C@H](F)C1	REAL300017475778	0	39	-1.0	-45.90	327.98	6.68	-39.22
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475779	0	43	-1.0	-46.47	372.89	1.07	-45.40
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC=CC=C2Br)C[C@H](F)C1	REAL300017475780	0	32	-1.0	-43.24	294.18	4.63	-38.61
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CN1C	REAL300017475781	0	41	-1.0	-62.73	356.77	5.03	-57.70
O=C([O-])[C@]1(NS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C[C@H](F)C1	REAL300017475782	0	33	-1.0	-58.04	303.19	4.53	-53.51
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)C[C@H](F)C1	REAL300017475783	0	32	-1.0	-40.15	287.91	4.21	-35.94
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475784	0	31	-1.0	-50.17	282.52	3.11	-47.06
CC1=NC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C(Br)N1C	REAL300017475785	0	32	-1.0	-47.38	294.70	2.71	-44.67
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C[C@H](F)C1	REAL300017475786	0	30	-1.0	-47.24	277.44	2.49	-44.75
COC(=O)C(C)(C)CS(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475787	0	37	-1.0	-46.51	302.50	3.28	-43.23
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475788	0	42	-1.0	-51.54	347.76	4.14	-47.40
COC(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(F)=C1	REAL300017475789	0	35	-1.0	-50.69	317.07	4.63	-46.06
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475790	0	40	-1.0	-58.07	353.96	3.25	-54.82
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C(=O)OC(C)C	REAL300017475791	0	44	-1.0	-41.20	366.15	6.07	-35.13
CC1=CC=C(CS(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475792	0	35	-1.0	-42.50	298.61	4.71	-37.79
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475793	0	41	-1.0	-50.11	357.24	2.51	-47.60
COC(=O)C1(CS(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CCCC1	REAL300017475794	0	41	-1.0	-40.04	327.56	4.42	-35.62
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475795	0	36	-1.0	-38.69	325.04	3.51	-35.18
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1C(F)(F)F	REAL300017475796	0	35	-1.0	-38.07	307.42	4.79	-33.28
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C[C@H](F)C1	REAL300017475797	0	40	-1.0	-41.20	359.13	6.61	-34.59
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475798	0	38	-1.0	-43.87	329.91	4.70	-39.17
O=C([O-])[C@]1(NS(=O)(=O)CC23CCC(CC2)C3)C[C@H](F)C1	REAL300017475799	0	39	-1.0	-39.59	301.84	4.71	-34.88
O=C([O-])[C@]1(NS(=O)(=O)CCC2=CC=CC=C2Br)C[C@H](F)C1	REAL300017475800	0	35	-1.0	-41.03	316.02	5.30	-35.73
COC(=O)C1(CS(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CCC1	REAL300017475801	0	38	-1.0	-40.33	315.97	3.74	-36.59
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)C[C@H](F)C1	REAL300017475802	0	29	-1.0	-52.70	285.77	3.91	-48.79
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475803	0	42	-1.0	-54.98	364.03	4.15	-50.83
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475804	0	45	-1.0	-50.06	385.44	4.57	-45.49
COC(=O)C1(CS(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CCCCC1	REAL300017475805	0	44	-1.0	-60.20	341.08	5.34	-54.86
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475806	0	37	-1.0	-44.55	323.98	4.21	-40.34
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=N1	REAL300017475807	1	31	-1.0	-61.07	283.77	2.80	-58.27
O=C([O-])[C@]1(NS(=O)(=O)C2=CNC3=CC=CC=C23)C[C@H](F)C1	REAL300017475808	0	33	-1.0	-55.57	289.78	3.70	-51.87
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1)=C2	REAL300017475809	0	42	-1.0	-49.20	352.79	7.10	-42.10
O=C([O-])[C@]1(NS(=O)(=O)CC2=CC=CC(F)=C2Br)C[C@H](F)C1	REAL300017475810	0	32	-1.0	-43.73	299.63	4.63	-39.10
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475811	0	39	-1.0	-38.59	329.44	5.59	-33.00
CC(C)(CCS(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1)C1CC1	REAL300017475812	0	41	-1.0	-38.76	318.01	4.80	-33.96
O=C([O-])[C@]1(NS(=O)(=O)C=CC2=CC=CC=C2Cl)C[C@H](F)C1	REAL300017475813	0	33	-1.0	-54.65	300.80	5.51	-49.14
CC(F)(F)CCCS(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475814	0	34	-1.0	-38.51	292.44	3.47	-35.04
O=C([O-])[C@]1(NS(=O)(=O)CCCC2=CC=CC=C2)C[C@H](F)C1	REAL300017475815	0	38	-1.0	-40.13	320.57	5.60	-34.53
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C(C(N)=O)O1	REAL300017475817	0	33	-1.0	-63.34	297.29	-0.61	-63.95
CCCC1=CC=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475821	0	38	-1.0	-41.15	308.52	5.58	-35.57
O=C([O-])[C@]1(NS(=O)(=O)CC2=NOC3=C2CCCC3)C[C@H](F)C1	REAL300017475822	0	38	-1.0	-45.49	315.95	4.03	-41.46
O=C([O-])[C@]1(NS(=O)(=O)C2=CSC=C2C(F)F)C[C@H](F)C1	REAL300017475823	0	29	-1.0	-39.94	265.27	3.43	-36.51
O=C([O-])[C@]1(NS(=O)(=O)CCC2=CC=CC(F)=C2)C[C@H](F)C1	REAL300017475824	0	35	-1.0	-41.09	307.56	4.99	-36.10
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475825	0	45	-1.0	-43.48	362.20	5.67	-37.81
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)C[C@H](F)C1	REAL300017475826	0	34	-1.0	-44.60	290.22	3.76	-40.84
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC=C21	REAL300017475827	0	49	-1.0	-53.89	380.96	5.81	-48.08
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475828	0	36	-1.0	-50.95	310.19	4.25	-46.70
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C21	REAL300017475829	0	43	-1.0	-40.45	349.88	3.36	-37.09
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C[C@H](F)C1	REAL300017475830	0	44	-1.0	-53.74	364.26	5.95	-47.79
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C21	REAL300017475831	0	43	-1.0	-59.06	354.40	5.22	-53.84
O=C([O-])[C@]1(NS(=O)(=O)C2=CN(C3CCC3)N=C2)C[C@H](F)C1	REAL300017475832	0	36	-1.0	-52.57	302.07	3.22	-49.35
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=NN2C2CCC2)C[C@H](F)C1	REAL300017475833	0	36	-1.0	-51.15	302.70	3.57	-47.58
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=NN2CC2CCC2)C[C@H](F)C1	REAL300017475834	0	39	-1.0	-55.23	321.05	3.93	-51.30
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C[C@H](F)C1	REAL300017475842	0	35	-1.0	-44.19	319.77	4.22	-39.97
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C[C@H](F)C1	REAL300017475843	0	35	-1.0	-41.96	304.48	0.50	-41.46
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Br)C=CO2)C[C@H](F)C1	REAL300017475844	1	26	-1.0	-40.48	254.79	2.52	-37.96
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=C3CCCCN23)C[C@H](F)C1	REAL300017475845	0	36	-1.0	-43.92	290.24	3.35	-40.57
COC1=C(F)C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475846	0	33	-1.0	-40.39	299.49	2.85	-37.54
COC1=CC(F)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475847	0	33	-1.0	-54.63	300.05	3.37	-51.26
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C	REAL300017475848	0	45	-1.0	-57.73	354.29	5.75	-51.98
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475849	0	39	-1.0	-58.61	331.04	5.16	-53.45
CC1=CSC(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475850	0	32	-1.0	-50.53	277.96	4.39	-46.14
CC1CC2=CC=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=C2O1	REAL300017475851	0	37	-1.0	-58.69	313.35	4.37	-54.32
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475852	0	37	-1.0	-41.82	322.58	2.98	-38.84
N#CC1(C2=CC=C(S(=O)(=O)N[C@@]3(C(=O)[O-])C[C@H](F)C3)C=C2)CC1	REAL300017475853	0	37	-1.0	-55.48	322.28	5.94	-49.54
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475854	1	33	-1.0	-58.34	293.83	4.31	-54.03
CC1=C(Br)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C(C)S1	REAL300017475855	0	32	-1.0	-39.41	293.11	4.43	-34.98
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C21	REAL300017475856	0	46	-1.0	-53.72	361.02	5.23	-48.49
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C[C@H](F)C1	REAL300017475857	0	35	-1.0	-43.20	303.73	3.83	-39.37
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C21	REAL300017475858	0	43	-1.0	-54.83	351.88	5.26	-49.57
O=C([O-])[C@]1(NS(=O)(=O)C2=CSC=C2Cl)C[C@H](F)C1	REAL300017475859	0	26	-1.0	-36.85	259.29	2.61	-34.24
CN1N=C(Br)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475860	0	29	-1.0	-49.89	273.75	1.67	-48.22
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C[C@H](F)C1	REAL300017475861	0	31	-1.0	-38.58	288.47	2.44	-36.14
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475862	0	34	-1.0	-53.70	289.54	2.48	-51.22
O=C([O-])[C@]1(NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C[C@H](F)C1	REAL300017475863	0	38	-1.0	-39.81	296.61	3.90	-35.91
O=C([O-])[C@]1(NS(=O)(=O)C2=CNC3=CC(Br)=CC=C32)C[C@H](F)C1	REAL300017475864	0	33	-1.0	-57.51	297.38	3.98	-53.53
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=NON=C3C=C2)C[C@H](F)C1	REAL300017475865	0	30	-1.0	-47.08	268.35	2.55	-44.53
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=CC=CC=C3S2)C[C@H](F)C1	REAL300017475866	0	32	-1.0	-57.64	293.03	5.26	-52.38
O=C([O-])[C@]1(NS(=O)(=O)C2=CNC3=C(Br)C=CC=C23)C[C@H](F)C1	REAL300017475867	0	33	-1.0	-54.71	297.39	3.97	-50.74
O=C([O-])[C@]1(NS(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C[C@H](F)C1	REAL300017475868	0	32	-1.0	-66.74	300.55	3.44	-63.30
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475869	0	36	-1.0	-52.81	305.24	2.97	-49.84
CC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C)=C1F	REAL300017475870	0	38	-1.0	-40.61	305.68	5.57	-35.04
COC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1OC	REAL300017475871	0	37	-1.0	-53.14	289.97	3.65	-49.49
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C[C@H](F)C1	REAL300017475872	0	38	-1.0	-42.77	321.88	0.49	-42.28
N#CC1=CC(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)=CC=C1Br	REAL300017475873	0	30	-1.0	-55.23	294.57	4.62	-50.61
O=C([O-])[C@]1(NS(=O)(=O)C2=COC3=CC=CC=C23)C[C@H](F)C1	REAL300017475874	0	32	-1.0	-54.90	269.39	3.60	-51.30
COC1=CC=C(F)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1OC	REAL300017475875	0	37	-1.0	-58.95	315.34	4.01	-54.94
CN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C2CCCC2)=N1	REAL300017475876	0	42	-1.0	-45.00	342.68	4.08	-40.92
N#CC1=C(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)C2=CC=CC=C2S1	REAL300017475877	0	33	-1.0	-39.70	300.48	5.02	-34.68
CN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C2CC2)=N1	REAL300017475878	0	36	-1.0	-44.94	310.34	3.04	-41.90
O=C([O-])[C@]1(NC(=O)CC2=C(Cl)C=CC=C2Cl)C[C@H](F)C1	REAL300017475879	0	31	-1.0	-56.57	296.62	7.92	-48.65
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)C[C@H](F)C1	REAL300017475880	0	33	-1.0	-44.99	292.99	2.86	-42.13
O=C([O-])[C@]1(NS(=O)(=O)C2=CNC3=CC=C(Br)C=C32)C[C@H](F)C1	REAL300017475881	0	33	-1.0	-53.48	314.72	4.56	-48.92
O=C([O-])[C@]1(NS(=O)(=O)C2=C(F)C=CC3=C2OCO3)C[C@H](F)C1	REAL300017475882	0	32	-1.0	-42.10	283.01	2.47	-39.63
CN1N=NC2=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=CC=C21	REAL300017475883	0	34	-1.0	-70.49	289.86	2.62	-67.87
CC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1Br	REAL300017475885	0	35	-1.0	-58.72	311.55	5.64	-53.08
CC1(C)CCCN(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C1	REAL300017475886	0	40	-1.0	-39.69	305.45	4.26	-35.43
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C[C@H](F)C1	REAL300017475887	0	35	-1.0	-51.17	324.46	4.88	-46.29
O=C([O-])[C@]1(NS(=O)(=O)C2=C3C=COC3=C(F)C=C2)C[C@H](F)C1	REAL300017475888	0	32	-1.0	-43.86	289.19	3.56	-40.30
CN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C2CCC2)=N1	REAL300017475889	0	39	-1.0	-53.74	327.24	4.21	-49.53
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475890	0	47	-1.0	-44.19	367.91	7.25	-36.94
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C[C@H](F)C1	REAL300017475891	0	35	-1.0	-57.30	325.58	5.67	-51.63
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Cl)SC=C2)C[C@H](F)C1	REAL300017475892	0	26	-1.0	-51.94	262.02	3.30	-48.64
O=C([O-])[C@]1(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)C[C@H](F)C1	REAL300017475893	0	39	-1.0	-58.13	328.80	4.35	-53.78
O=C([O-])[C@]1(NS(=O)(=O)C2=C(C3CC3)C=CS2)C[C@H](F)C1	REAL300017475894	0	33	-1.0	-43.31	287.13	4.36	-38.95
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C[C@H](F)C1	REAL300017475895	0	40	-1.0	-42.56	352.42	6.03	-36.53
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475896	0	42	-1.0	-60.98	343.84	2.13	-58.85
COC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C2=NC=CC=C2C=C1	REAL300017475897	0	38	-1.0	-52.87	319.63	4.39	-48.48
CCCC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475898	0	38	-1.0	-40.84	318.01	5.51	-35.33
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475899	0	35	-1.0	-55.72	311.55	2.03	-53.69
N#CC1=CC=C(F)C=C1S(=O)(=O)N[C@@]1(C(=O)[O-])C[C@H](F)C1	REAL300017475900	0	30	-1.0	-54.64	280.52	4.12	-50.52
CN1N=C2CCCC2=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475901	0	36	-1.0	-51.93	297.28	3.09	-48.84
O=C([O-])[C@]1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C[C@H](F)C1	REAL300017475902	0	33	-1.0	-49.46	310.23	5.10	-44.36
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)C=C2C=C1	REAL300017475903	0	41	-1.0	-54.44	354.49	6.66	-47.78
CC1=CC=CC(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475904	0	35	-1.0	-41.18	284.31	4.98	-36.20
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475905	0	38	-1.0	-55.06	301.96	3.47	-51.59
CC(C)(C)N1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=N1	REAL300017475906	0	38	-1.0	-42.95	318.26	2.89	-40.06
O=C([O-])[C@]1(NS(=O)(=O)C2=CNN=C2C2CCC2)C[C@H](F)C1	REAL300017475907	0	36	-1.0	-52.51	307.24	2.92	-49.59
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CN=C1C(F)(F)F	REAL300017475908	0	34	-1.0	-52.56	305.31	3.50	-49.06
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C[C@H](F)C1	REAL300017475909	0	32	-1.0	-36.85	298.75	4.36	-32.49
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(CF)C=C2)C[C@H](F)C1	REAL300017475910	0	32	-1.0	-55.83	282.40	4.61	-51.22
O=C([O-])[C@]1(NS(=O)(=O)C2=C(C(F)(F)F)SC=C2)C[C@H](F)C1	REAL300017475911	0	29	-1.0	-37.77	277.96	3.61	-34.16
O=C([O-])[C@]1(NS(=O)(=O)C2=CSC(C(F)(F)F)=C2)C[C@H](F)C1	REAL300017475912	0	29	-1.0	-53.97	285.48	3.87	-50.10
O=C([O-])[C@]1(NS(=O)(=O)N2CCC(F)(F)CC2)C[C@H](F)C1	REAL300017475913	0	34	-1.0	-54.80	282.96	3.01	-51.79
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C[C@H](F)C1	REAL300017475914	0	32	-1.0	-35.95	305.51	4.71	-31.24
CC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1C	REAL300017475915	0	35	-1.0	-57.28	288.61	5.29	-51.99
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC=C2C(F)F)C[C@H](F)C1	REAL300017475916	0	32	-1.0	-42.78	272.16	4.60	-38.18
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475917	0	40	-1.0	-50.27	338.89	5.33	-44.94
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)C[C@H](F)C1	REAL300017475918	0	40	-1.0	-44.51	321.72	6.22	-38.29
CC1(C)OC(=O)C2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC=C21	REAL300017475919	0	39	-1.0	-53.56	333.84	5.44	-48.12
O=C([O-])[C@]1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C[C@H](F)C1	REAL300017475920	0	35	-1.0	-40.43	314.97	4.30	-36.13
O=C([O-])[C@]1(NS(=O)(=O)N2CC3=CC=CC=C3C2)C[C@H](F)C1	REAL300017475921	0	35	-1.0	-42.01	293.34	4.35	-37.66
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)=C1	REAL300017475922	0	34	-1.0	-57.74	315.20	4.26	-53.48
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C[C@H](F)C1	REAL300017475923	0	38	-1.0	-54.24	327.67	3.23	-51.01
O=C([O-])[C@]1(NS(=O)(=O)C2=CSC=C2C(F)(F)F)C[C@H](F)C1	REAL300017475924	0	29	-1.0	-51.57	271.56	4.07	-47.50
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)C[C@H](F)C1	REAL300017475925	0	36	-1.0	-54.41	303.01	5.87	-48.54
COC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=CS1	REAL300017475926	0	30	-1.0	-57.13	278.53	2.27	-54.86
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C[C@H](F)C1	REAL300017475927	0	32	-1.0	-53.79	285.43	5.19	-48.60
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475928	0	35	-1.0	-51.43	318.15	4.04	-47.39
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(C3CC3)C=C2F)C[C@H](F)C1	REAL300017475929	0	36	-1.0	-53.55	313.57	6.10	-47.45
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=NN2C2CCCC2)C[C@H](F)C1	REAL300017475930	0	39	-1.0	-46.99	321.63	3.60	-43.39
CCC(C)N1N=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475931	0	38	-1.0	-46.28	316.75	2.91	-43.37
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475932	0	38	-1.0	-49.03	324.53	0.76	-48.27
CS(=O)(=O)C1=CSC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475933	0	32	-1.0	-49.59	307.18	-0.18	-49.77
CN(C1CCCCCC1)S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475934	0	43	-1.0	-52.11	319.11	4.85	-47.26
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475935	0	33	-1.0	-54.65	296.68	3.78	-50.87
CN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C2CCOCC2)=N1	REAL300017475936	0	43	-1.0	-44.41	349.76	2.16	-42.25
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475937	0	35	-1.0	-44.64	306.78	4.82	-39.82
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)C[C@H](F)C1	REAL300017475938	0	33	-1.0	-44.85	292.98	2.86	-41.99
O=C([O-])[C@]1(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C[C@H](F)C1	REAL300017475939	0	44	-1.0	-56.01	347.94	6.13	-49.88
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475940	0	30	-1.0	-40.50	276.98	1.77	-38.73
CC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C2=NC=CC=C12	REAL300017475941	0	40	-1.0	-48.66	318.20	5.14	-43.52
O=C([O-])[C@]1(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)C[C@H](F)C1	REAL300017475942	0	37	-1.0	-55.84	310.67	3.71	-52.13
O=C([O-])[C@]1(NS(=O)(=O)C2=CN(CCF)N=C2)C[C@H](F)C1	REAL300017475943	0	32	-1.0	-50.90	286.80	2.38	-48.52
CCOCC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475944	0	39	-1.0	-55.85	330.67	4.44	-51.41
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475947	0	39	-1.0	-53.59	334.73	5.02	-48.57
O=C([O-])[C@]1(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)C[C@H](F)C1	REAL300017475948	0	42	-1.0	-55.77	340.67	4.58	-51.19
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C[C@H](F)C1	REAL300017475949	0	40	-1.0	-44.52	346.16	6.03	-38.49
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC=C2CF)C[C@H](F)C1	REAL300017475950	0	32	-1.0	-58.61	276.07	4.85	-53.76
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC(C)=C1Br	REAL300017475951	0	35	-1.0	-39.38	310.63	5.01	-34.37
CCN1N=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1Cl	REAL300017475952	0	32	-1.0	-41.23	295.51	1.98	-39.25
O=C([O-])[C@]1(NS(=O)(=O)C=CC2=CC=CC=C2Br)C[C@H](F)C1	REAL300017475953	0	33	-1.0	-54.69	305.40	5.59	-49.10
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1)=C2	REAL300017475954	0	35	-1.0	-53.01	339.23	5.05	-47.96
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C[C@H](F)C1	REAL300017475956	0	31	-1.0	-46.63	297.52	3.08	-43.55
O=C([O-])[C@]1(NS(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C[C@H](F)C1	REAL300017475957	0	34	-1.0	-61.34	311.61	4.93	-56.41
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C[C@H](F)C1	REAL300017475958	0	34	-1.0	-43.57	307.21	4.22	-39.35
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C2=CC=CC=C12	REAL300017475959	0	38	-1.0	-47.07	315.30	6.03	-41.04
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(OCCF)C=C2)C[C@H](F)C1	REAL300017475960	0	36	-1.0	-55.53	311.97	4.10	-51.43
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC=C21	REAL300017475961	0	43	-1.0	-55.70	358.64	5.25	-50.45
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C[C@H](F)C1	REAL300017475962	0	29	-1.0	-47.54	284.06	4.42	-43.12
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)O1	REAL300017475963	0	35	-1.0	-62.32	318.50	0.27	-62.05
CN1C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C2=CC=CC=C2)=N1	REAL300017475964	0	39	-1.0	-53.34	335.55	4.34	-49.00
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C[C@H](F)C1	REAL300017475965	0	35	-1.0	-58.43	326.20	1.54	-56.89
O=C([O-])[C@]1(NS(=O)(=O)C=CC2=CC=C(F)C=C2)C[C@H](F)C1	REAL300017475966	0	33	-1.0	-54.80	293.59	5.12	-49.68
O=C([O-])[C@]1(NS(=O)(=O)C=CC2=CC=CC(Br)=C2)C[C@H](F)C1	REAL300017475967	0	33	-1.0	-53.38	307.84	5.70	-47.68
O=C([O-])[C@]1(NS(=O)(=O)C=CC2=CC=C(Br)C=C2)C[C@H](F)C1	REAL300017475968	0	33	-1.0	-42.37	308.80	5.25	-37.12
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(C3CC3)S2)C[C@H](F)C1	REAL300017475969	0	33	-1.0	-56.23	297.35	5.03	-51.20
COC(=O)C1CCCCN1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475970	0	40	-1.0	-56.96	318.57	5.16	-51.80
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC=C21	REAL300017475971	0	51	-1.0	-54.85	383.86	7.92	-46.93
N#CC1=CC=C(S(=O)(=O)N[C@@]2(C(=O)[O-])C[C@H](F)C2)C=C1[N+](=O)[O-]	REAL300017475972	0	32	-1.0	-43.15	299.17	4.08	-39.07
COC1=CC=C(C=C(C)S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475973	0	40	-1.0	-42.66	324.77	4.18	-38.48
COC(=O)C=CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475974	0	39	-1.0	-42.02	340.41	5.18	-36.84
CCOC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=NN1	REAL300017475975	0	35	-1.0	-43.25	312.26	1.82	-41.43
COC1=CSC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1OC	REAL300017475976	0	34	-1.0	-40.94	305.00	1.40	-39.54
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1)C2	REAL300017475977	0	46	-1.0	-59.51	331.47	8.64	-50.87
O=C([O-])[C@]1(NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C[C@H](F)C1	REAL300017475978	0	41	-1.0	-41.66	314.22	3.77	-37.89
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475979	0	40	-1.0	-54.47	335.17	6.31	-48.16
O=C([O-])[C@]1(NC(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)C[C@H](F)C1	REAL300017475980	0	40	-1.0	-63.04	339.39	10.94	-52.10
O=C([O-])[C@]1(NC(=O)N2CCC(CC3=CC=CC=C3)CC2)C[C@H](F)C1	REAL300017475981	0	46	-1.0	-59.55	359.78	10.20	-49.35
CC(C)(C)OC(=O)N1CCN(C(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CC1	REAL300017475982	0	47	-1.0	-59.40	364.71	6.72	-52.68
COC(=O)C1CCN(C(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CC1	REAL300017475983	0	39	-1.0	-64.07	315.79	6.73	-57.34
CN(C(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1)C1CCS(=O)(=O)C1	REAL300017475984	0	36	-1.0	-66.05	301.01	2.73	-63.32
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475985	0	48	-1.0	-61.89	378.53	7.32	-54.57
COC(=O)C1CN(C(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CCO1	REAL300017475986	0	37	-1.0	-58.18	308.62	5.03	-53.15
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C[C@H](F)C1	REAL300017475987	0	33	-1.0	-52.45	300.26	5.06	-47.39
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C[C@H](F)C1	REAL300017475988	0	33	-1.0	-58.30	299.05	3.42	-54.88
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475989	0	35	-1.0	-54.22	299.40	3.53	-50.69
CC(=O)OC1CCN(C(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)CC1	REAL300017475990	0	39	-1.0	-62.53	316.81	6.99	-55.54
CN1C=CC2=CC(S(=O)(=O)N[C@]3(C(=O)[O-])C[C@@H](F)C3)=CC=C21	REAL300017475991	0	36	-1.0	-48.88	307.46	5.04	-43.84
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C[C@H](F)C1	REAL300017475992	0	32	-1.0	-51.54	284.04	5.27	-46.27
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C[C@H](F)C1	REAL300017475993	0	38	-1.0	-44.70	332.64	3.77	-40.93
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Cl)=C(Cl)S2)C[C@H](F)C1	REAL300017475994	1	26	-1.0	-35.64	278.28	3.42	-32.22
CN1N=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1Cl	REAL300017475995	0	29	-1.0	-49.03	259.76	1.39	-47.64
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475996	0	42	-1.0	-55.21	344.71	5.92	-49.29
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300017475997	0	46	-1.0	-41.72	371.98	5.18	-36.54
O=C([O-])[C@]1(NS(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)C[C@H](F)C1	REAL300017475998	0	32	-1.0	-46.06	311.80	4.74	-41.32
O=C([O-])[C@]1(NS(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C[C@H](F)C1	REAL300017475999	0	34	-1.0	-41.57	304.42	3.89	-37.68
COC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017476000	0	37	-1.0	-40.44	302.10	3.51	-36.93
N#CCCN(CC(=O)[O-])S(=O)(=O)CCC1CCOCC1	REAL300017485208	0	39	-1.0	-42.04	330.43	4.20	-37.84
N#CCCN(CC(=O)[O-])S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300017485209	0	45	-1.0	-51.08	406.34	6.78	-44.30
CC1=CC(C)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S1	REAL300017485210	0	32	-1.0	-54.26	301.34	5.47	-48.79
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300017485211	0	38	-1.0	-56.34	339.11	6.49	-49.85
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300017485212	0	30	-1.0	-49.38	299.94	4.21	-45.17
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300017485213	0	35	-1.0	-43.31	329.17	6.50	-36.81
CN1C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(C(F)(F)F)=N1	REAL300017485214	0	32	-1.0	-41.81	310.67	3.39	-38.42
CC1=CC=CC(C)=C1CS(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485215	0	38	-1.0	-43.74	326.96	6.87	-36.87
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017485216	0	31	-1.0	-59.20	317.59	7.12	-52.08
COC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C(F)C=C1C	REAL300017485217	0	38	-1.0	-54.61	347.62	6.06	-48.55
CC1=CC2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C2N=C1Cl	REAL300017485218	0	37	-1.0	-47.66	351.73	6.32	-41.34
COC(CS(=O)(=O)N(CCC#N)CC(=O)[O-])C1=CC=CC=C1	REAL300017485219	0	39	-1.0	-59.17	346.06	5.42	-53.75
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300017485220	0	38	-1.0	-45.63	326.93	6.09	-39.54
N#CCCN(CC(=O)[O-])S(=O)(=O)CCOCC1=CC=CC=C1	REAL300017485221	0	39	-1.0	-45.28	352.53	5.69	-39.59
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(C(C)C)=C1	REAL300017485222	0	56	-1.0	-42.87	424.35	10.41	-32.46
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300017485223	0	34	-1.0	-47.18	324.64	6.44	-40.74
CCOC(=O)C1=CC=C(CS(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485224	0	41	-1.0	-43.81	373.67	7.22	-36.59
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485225	0	36	-1.0	-52.36	342.56	5.17	-47.19
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300017485226	0	36	-1.0	-54.10	323.55	6.99	-47.11
COC1=CC=C2C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])CCC2=C1	REAL300017485227	0	41	-1.0	-55.37	354.19	6.46	-48.91
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300017485228	0	37	-1.0	-54.35	334.85	5.85	-48.50
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300017485229	0	29	-1.0	-42.72	297.84	5.49	-37.23
CC(=O)C1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485230	0	34	-1.0	-54.98	315.75	5.31	-49.67
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300017485231	0	29	-1.0	-59.11	302.76	6.04	-53.07
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017485232	0	35	-1.0	-43.40	330.77	5.67	-37.73
CC(C)(C)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485233	0	41	-1.0	-44.67	351.47	7.26	-37.41
CC(C)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485234	0	38	-1.0	-44.54	335.49	6.86	-37.68
CCC(C)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485235	0	41	-1.0	-44.62	353.93	7.53	-37.09
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485236	0	40	-1.0	-56.47	370.00	2.89	-53.58
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300017485237	0	29	-1.0	-55.66	291.94	6.00	-49.66
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)S1	REAL300017485238	0	26	-1.0	-39.88	284.38	4.56	-35.32
CCCC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485239	0	38	-1.0	-54.21	338.82	7.11	-47.10
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300017485240	0	29	-1.0	-40.20	301.36	5.79	-34.41
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1Br	REAL300017485241	0	33	-1.0	-46.28	325.17	4.90	-41.38
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485242	0	40	-1.0	-70.13	355.12	3.74	-66.39
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017485243	0	29	-1.0	-54.63	289.43	4.98	-49.65
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300017485244	0	29	-1.0	-40.56	308.77	5.96	-34.60
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Cl	REAL300017485245	0	29	-1.0	-45.68	275.98	4.95	-40.73
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300017485246	0	29	-1.0	-44.21	296.56	5.55	-38.66
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485247	0	41	-1.0	-66.64	376.34	7.22	-59.42
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1F	REAL300017485248	0	29	-1.0	-59.42	281.56	5.13	-54.29
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300017485249	0	28	-1.0	-52.07	286.23	3.52	-48.55
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300017485250	0	29	-1.0	-41.45	292.88	5.36	-36.09
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300017485251	0	32	-1.0	-57.76	319.16	6.77	-50.99
CC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1Br	REAL300017485252	0	32	-1.0	-42.20	314.76	6.12	-36.08
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300017485253	0	29	-1.0	-45.04	278.76	5.05	-39.99
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300017485254	0	33	-1.0	-51.50	320.40	4.68	-46.82
CC1=C(C)C(C)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(C)=C1C	REAL300017485255	0	44	-1.0	-52.68	338.92	7.50	-45.18
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300017485256	0	38	-1.0	-46.49	338.05	4.87	-41.62
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017485257	0	34	-1.0	-50.84	319.47	6.12	-44.72
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)S1	REAL300017485258	0	26	-1.0	-39.98	289.02	4.66	-35.32
COC1=CC=C(Br)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485259	0	33	-1.0	-56.52	320.35	5.47	-51.05
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485260	0	47	-1.0	-44.32	373.12	8.62	-35.70
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300017485261	0	45	-1.0	-44.23	377.11	8.74	-35.49
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300017485262	0	32	-1.0	-41.39	314.00	5.94	-35.45
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300017485263	0	39	-1.0	-54.25	337.05	7.38	-46.87
COC1=CC=C(OC)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485264	0	37	-1.0	-59.33	328.52	4.14	-55.19
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1OC	REAL300017485265	0	37	-1.0	-47.68	333.97	4.13	-43.55
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300017485266	0	39	-1.0	-56.70	371.65	4.48	-52.22
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300017485267	0	36	-1.0	-54.85	319.88	6.79	-48.06
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(OC)=C1	REAL300017485268	0	37	-1.0	-45.16	322.05	4.48	-40.68
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300017485269	0	37	-1.0	-55.00	324.74	7.16	-47.84
CC1=CC(Cl)=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1Cl	REAL300017485270	0	35	-1.0	-50.67	326.96	7.11	-43.56
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1F	REAL300017485271	0	29	-1.0	-55.19	283.26	4.95	-50.24
COC1=CC=C(C)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485272	0	36	-1.0	-58.53	320.48	5.51	-53.02
CC1=CC=C(Br)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485273	0	32	-1.0	-53.26	304.02	5.95	-47.31
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1NC(C)=O	REAL300017485274	0	40	-1.0	-55.44	359.05	3.26	-52.18
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300017485275	0	37	-1.0	-56.70	334.15	4.07	-52.63
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300017485276	0	33	-1.0	-43.87	311.00	1.76	-42.11
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300017485277	0	34	-1.0	-56.15	316.44	3.34	-52.81
CCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1OCC	REAL300017485278	0	43	-1.0	-45.58	377.68	5.98	-39.60
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300017485279	0	29	-1.0	-52.12	291.15	5.41	-46.71
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300017485280	0	29	-1.0	-51.91	295.71	5.51	-46.40
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300017485281	0	31	-1.0	-41.69	303.47	5.61	-36.08
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300017485282	0	35	-1.0	-54.99	320.24	7.16	-47.83
CC(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485283	0	36	-1.0	-61.87	330.79	3.78	-58.09
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300017485284	0	31	-1.0	-49.68	303.47	5.60	-44.08
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485285	0	34	-1.0	-56.28	311.00	6.00	-50.28
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017485286	0	32	-1.0	-52.96	310.94	5.37	-47.59
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017485287	0	32	-1.0	-46.19	326.62	7.00	-39.19
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300017485288	0	32	-1.0	-39.68	324.02	6.30	-33.38
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485289	0	38	-1.0	-50.62	357.69	3.15	-47.47
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300017485290	0	28	-1.0	-41.33	306.59	4.11	-37.22
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300017485291	0	32	-1.0	-47.76	294.91	5.57	-42.19
N#CCCN(CC(=O)[O-])S(=O)(=O)CCC1CCCCC1	REAL300017485292	0	41	-1.0	-59.71	340.21	6.58	-53.13
CC1=CC2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C2C=C1	REAL300017485293	0	38	-1.0	-54.73	341.57	7.82	-46.91
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CS1	REAL300017485294	0	26	-1.0	-56.38	278.68	4.31	-52.07
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485295	0	38	-1.0	-44.43	350.08	6.39	-38.04
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300017485296	0	44	-1.0	-62.73	396.02	5.44	-57.29
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485297	0	42	-1.0	-61.01	370.38	5.26	-55.75
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300017485298	0	32	-1.0	-60.51	316.82	6.09	-54.42
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300017485299	0	35	-1.0	-47.98	320.96	7.07	-40.91
CCC1=CC(CC)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(CC)=C1	REAL300017485300	0	47	-1.0	-53.55	378.33	9.27	-44.28
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300017485301	0	34	-1.0	-55.25	310.12	4.73	-50.52
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485302	0	37	-1.0	-43.17	326.09	6.48	-36.69
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300017485303	0	36	-1.0	-46.81	331.25	4.70	-42.11
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300017485304	0	31	-1.0	-48.23	323.42	4.84	-43.39
COC1=CC(OC)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1Cl	REAL300017485305	0	37	-1.0	-46.73	343.82	4.67	-42.06
COC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1Cl	REAL300017485306	0	33	-1.0	-42.58	320.78	4.79	-37.79
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300017485307	0	32	-1.0	-42.44	302.71	2.25	-40.19
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485308	0	42	-1.0	-46.07	361.46	5.38	-40.69
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300017485309	0	32	-1.0	-58.78	312.92	4.07	-54.71
CC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C(F)C=C1Br	REAL300017485310	0	32	-1.0	-53.17	316.34	6.06	-47.11
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300017485311	0	34	-1.0	-41.53	325.96	7.25	-34.28
CC1=CC=CC(Cl)=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485312	0	32	-1.0	-54.38	294.29	6.09	-48.29
N#CCCN(CC(=O)[O-])S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300017485313	0	36	-1.0	-58.82	324.65	7.01	-51.81
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C12	REAL300017485314	0	44	-1.0	-49.21	398.66	8.18	-41.03
N#CCCN(CC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300017485315	0	42	-1.0	-43.64	357.99	5.38	-38.26
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300017485316	0	33	-1.0	-53.09	315.21	5.18	-47.91
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300017485317	0	34	-1.0	-47.50	302.29	5.34	-42.16
COC(=O)CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1F	REAL300017485318	0	38	-1.0	-50.03	357.67	6.42	-43.61
CC1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300017485319	0	38	-1.0	-44.91	341.49	7.78	-37.13
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300017485320	0	33	-1.0	-52.89	325.53	5.64	-47.25
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300017485321	0	35	-1.0	-55.21	327.56	7.50	-47.71
CC1=CC(F)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(F)=C1	REAL300017485322	0	32	-1.0	-46.78	304.89	5.88	-40.90
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300017485323	0	43	-1.0	-46.08	383.43	8.01	-38.07
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C#N)C=C1	REAL300017485324	0	33	-1.0	-42.02	317.88	6.02	-36.00
CN(C)C(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485325	0	39	-1.0	-59.18	343.68	4.58	-54.60
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300017485326	0	32	-1.0	-41.72	313.74	6.14	-35.58
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017485327	0	29	-1.0	-54.86	293.58	5.40	-49.46
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300017485328	0	40	-1.0	-57.14	363.30	4.90	-52.24
COC1=CC=C(F)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485329	0	33	-1.0	-57.17	305.46	4.91	-52.26
CCC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017485330	0	37	-1.0	-50.86	337.71	6.76	-44.10
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300017485331	0	34	-1.0	-48.32	298.41	4.96	-43.36
CC(=O)NC1=NC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S1	REAL300017485332	0	32	-1.0	-50.18	320.87	2.44	-47.74
CC1C(=O)NC2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C21	REAL300017485334	0	37	-1.0	-48.35	333.48	3.70	-44.65
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300017485335	0	35	-1.0	-45.54	325.97	2.15	-43.39
CC(C)CCC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485336	0	44	-1.0	-54.20	377.86	8.40	-45.80
CC(=O)N1CCC2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C21	REAL300017485337	0	40	-1.0	-60.20	353.23	5.92	-54.28
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C2)=C1	REAL300017485338	0	43	-1.0	-46.18	385.34	8.44	-37.74
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300017485339	0	34	-1.0	-45.71	311.22	4.78	-40.93
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300017485340	0	40	-1.0	-49.81	353.04	6.04	-43.77
CN1C(=O)CC2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C21	REAL300017485342	0	37	-1.0	-49.17	333.81	5.11	-44.06
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300017485343	0	34	-1.0	-56.72	322.14	6.38	-50.34
CN1C(=O)OC2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C21	REAL300017485344	0	35	-1.0	-59.06	328.44	4.85	-54.21
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1	REAL300017485345	0	34	-1.0	-54.64	332.12	5.70	-48.94
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300017485346	0	33	-1.0	-44.37	321.24	4.72	-39.65
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(I)=C1	REAL300017485347	0	29	-1.0	-43.54	303.06	6.03	-37.51
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300017485348	0	29	-1.0	-41.18	288.12	5.07	-36.11
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300017485349	0	31	-1.0	-42.57	304.20	5.63	-36.94
CC(=O)NCC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S1	REAL300017485350	0	36	-1.0	-46.24	350.00	3.11	-43.13
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485351	0	39	-1.0	-65.97	338.54	4.15	-61.82
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017485352	0	26	-1.0	-38.98	291.44	4.88	-34.10
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485353	0	45	-1.0	-60.71	389.54	5.83	-54.88
CC(=O)N1CCCC2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C21	REAL300017485354	0	43	-1.0	-60.20	367.40	6.50	-53.70
COC(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485355	0	35	-1.0	-54.45	329.17	5.56	-48.89
CNC(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485356	0	36	-1.0	-58.59	330.85	3.17	-55.42
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300017485357	0	33	-1.0	-58.75	308.91	1.68	-57.07
CC(=O)N1C2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C2CC1C	REAL300017485358	0	43	-1.0	-45.52	369.92	6.49	-39.03
COC(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S1	REAL300017485359	0	32	-1.0	-43.15	323.25	4.69	-38.46
CCOC(=O)C1=CNN=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485360	0	35	-1.0	-53.03	327.18	3.57	-49.46
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300017485361	0	35	-1.0	-44.43	331.82	1.92	-42.51
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300017485362	0	35	-1.0	-57.48	338.26	2.82	-54.66
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1Cl	REAL300017485363	0	28	-1.0	-55.12	276.79	3.36	-51.76
CC1=CC2=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C2N=C1	REAL300017485364	0	37	-1.0	-63.48	332.17	6.69	-56.79
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300017485365	0	35	-1.0	-45.13	316.33	5.50	-39.63
COC1=CC(Cl)=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485366	0	33	-1.0	-41.09	309.35	5.70	-35.39
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300017485367	0	33	-1.0	-43.34	309.54	5.66	-37.68
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300017485368	0	34	-1.0	-54.74	329.44	-0.11	-54.85
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300017485369	0	41	-1.0	-44.03	382.77	2.73	-41.30
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300017485370	0	34	-1.0	-41.08	325.22	6.30	-34.78
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1	REAL300017485371	0	32	-1.0	-41.17	303.42	5.70	-35.47
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(Cl)=C1	REAL300017485372	0	32	-1.0	-45.70	297.38	5.62	-40.08
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300017485373	0	35	-1.0	-61.36	329.81	1.27	-60.09
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300017485374	0	29	-1.0	-53.69	306.09	4.98	-48.71
CS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485375	0	35	-1.0	-59.90	335.12	2.41	-57.49
CN1C(=O)C2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C2C1=O	REAL300017485376	0	36	-1.0	-55.93	339.94	4.15	-51.78
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485377	0	37	-1.0	-57.03	339.64	6.36	-50.67
CC1=CC(F)=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485378	0	32	-1.0	-54.56	298.39	5.82	-48.74
N#CCCN(CC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300017485379	0	38	-1.0	-52.03	328.89	6.05	-45.98
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C2=CC=CN=C12	REAL300017485380	0	37	-1.0	-45.79	318.45	5.69	-40.10
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C	REAL300017485381	0	37	-1.0	-69.46	332.12	7.76	-61.70
CCOC(=O)C1CCCN(S(=O)(=O)N(CCC#N)CC(=O)[O-])C1	REAL300017485382	0	43	-1.0	-56.43	365.80	5.44	-50.99
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485383	0	40	-1.0	-59.92	369.83	2.89	-57.03
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300017485384	0	29	-1.0	-40.13	286.49	5.24	-34.89
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017485385	0	31	-1.0	-64.94	311.71	7.07	-57.87
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C#N	REAL300017485386	0	30	-1.0	-60.64	309.39	5.84	-54.80
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300017485387	0	41	-1.0	-65.17	360.85	4.21	-60.96
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485388	0	35	-1.0	-58.28	335.98	2.44	-55.84
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300017485389	0	39	-1.0	-60.96	342.56	8.62	-52.34
CC1CC(C)CN(S(=O)(=O)N(CCC#N)CC(=O)[O-])C1	REAL300017485390	0	40	-1.0	-46.43	323.33	5.11	-41.32
CCOC(=O)C1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485391	0	38	-1.0	-52.00	351.90	6.50	-45.50
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017485392	0	29	-1.0	-48.05	300.36	5.32	-42.73
CS(=O)(=O)CCCS(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485393	0	34	-1.0	-49.74	322.23	0.94	-48.80
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(C)=C1C	REAL300017485394	0	39	-1.0	-53.87	328.58	5.27	-48.60
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300017485395	0	29	-1.0	-50.35	287.65	5.13	-45.22
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C21	REAL300017485396	0	40	-1.0	-43.38	358.56	4.43	-38.95
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300017485397	0	34	-1.0	-57.17	330.10	5.56	-51.61
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300017485398	0	32	-1.0	-41.02	318.30	6.26	-34.76
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300017485399	0	29	-1.0	-42.41	311.38	6.01	-36.40
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300017485400	0	34	-1.0	-55.00	315.27	5.27	-49.73
COC1=CC(F)=CC(F)=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485401	0	33	-1.0	-55.66	310.44	5.35	-50.31
CC1=CC(C#N)=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485402	0	33	-1.0	-40.89	301.71	5.67	-35.22
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300017485404	0	33	-1.0	-45.14	317.06	5.71	-39.43
COC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1OC	REAL300017485405	0	39	-1.0	-50.05	357.34	5.63	-44.42
COC(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C	REAL300017485406	0	38	-1.0	-45.48	346.05	6.14	-39.34
COC(=O)CCN(C)S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485407	0	36	-1.0	-45.10	327.48	3.66	-41.44
CS(=O)(=O)N1CCN(S(=O)(=O)N(CCC#N)CC(=O)[O-])CC1	REAL300017485408	0	39	-1.0	-60.85	343.01	0.35	-60.50
CN(C1CCOCC1)S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485409	0	38	-1.0	-41.52	321.15	2.94	-38.58
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300017485410	0	38	-1.0	-57.20	343.92	4.99	-52.21
CC1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300017485411	0	38	-1.0	-51.68	341.50	6.12	-45.56
CCN1N=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1C	REAL300017485412	0	38	-1.0	-52.92	331.10	4.74	-48.18
CC(C)N1C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=N1	REAL300017485413	0	35	-1.0	-53.98	319.70	3.97	-50.01
CC(C)CN1C=NC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485414	0	38	-1.0	-47.12	340.03	6.17	-40.95
CC(C)N1C=NC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485415	0	35	-1.0	-52.91	321.29	5.32	-47.59
CC(C)C1=NC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CN1	REAL300017485416	0	35	-1.0	-51.00	316.93	3.67	-47.33
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485417	0	41	-1.0	-57.22	329.09	7.71	-49.51
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300017485418	0	42	-1.0	-64.64	378.92	7.91	-56.73
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485419	0	37	-1.0	-66.89	340.82	4.29	-62.60
N#CCCN(CC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300017485420	0	42	-1.0	-42.89	374.03	6.47	-36.42
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300017485421	0	33	-1.0	-48.61	304.85	4.87	-43.74
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300017485422	0	31	-1.0	-48.32	302.75	4.71	-43.61
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017485423	0	29	-1.0	-41.68	296.58	5.75	-35.93
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(Cl)=N1	REAL300017485424	0	31	-1.0	-45.26	296.82	3.92	-41.34
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300017485425	0	33	-1.0	-61.18	322.68	5.91	-55.27
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300017485426	0	28	-1.0	-41.19	293.02	3.61	-37.58
COC1=NC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1Cl	REAL300017485427	0	32	-1.0	-43.18	318.53	2.17	-41.01
N#CCCN(CC(=O)[O-])S(=O)(=O)C1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017485428	0	47	-1.0	-62.03	408.26	6.76	-55.27
CC1=CC(CS(=O)(=O)N(CCC#N)CC(=O)[O-])=CC(C)=C1	REAL300017485429	0	38	-1.0	-61.37	340.77	6.93	-54.44
COCC1=CC=C(OC)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485430	0	40	-1.0	-58.79	354.15	4.56	-54.23
CNC(=O)C1=CC=C(CS(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485431	0	39	-1.0	-48.29	353.47	3.91	-44.38
CC1=CC(F)=CC=C1CS(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485432	0	35	-1.0	-60.32	320.13	6.26	-54.06
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017485433	0	29	-1.0	-39.52	301.19	6.18	-33.34
CC(COC1CCCC1)CS(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485434	0	45	-1.0	-40.77	374.07	6.27	-34.50
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300017485435	0	29	-1.0	-39.83	300.59	5.82	-34.01
COCCN(CCC#N)S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485436	0	38	-1.0	-56.24	336.92	3.39	-52.85
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017485437	0	29	-1.0	-42.30	296.05	5.33	-36.97
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300017485438	0	34	-1.0	-55.08	315.51	5.25	-49.83
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300017485439	0	32	-1.0	-41.62	318.31	6.25	-35.37
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1F	REAL300017485440	0	32	-1.0	-65.42	309.55	5.71	-59.71
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300017485441	0	31	-1.0	-42.08	315.72	4.40	-37.68
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485442	0	45	-1.0	-58.13	375.22	7.16	-50.97
CCN(CC(C)C#N)S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485443	0	37	-1.0	-43.32	323.75	4.64	-38.68
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300017485444	0	35	-1.0	-46.22	315.16	3.89	-42.33
N#CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CS1	REAL300017485445	0	32	-1.0	-42.22	308.73	5.51	-36.71
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485446	0	37	-1.0	-61.83	344.37	6.46	-55.37
CC1=CC=C(CS(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C	REAL300017485447	0	38	-1.0	-44.63	335.42	6.84	-37.79
CS(=O)(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1Cl	REAL300017485448	0	35	-1.0	-44.69	345.78	2.87	-41.82
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300017485449	0	32	-1.0	-44.40	314.84	4.04	-40.36
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485450	0	39	-1.0	-62.07	350.45	3.89	-58.18
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300017485451	0	33	-1.0	-57.43	330.13	2.28	-55.15
N#CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300017485452	0	40	-1.0	-45.21	354.40	6.25	-38.96
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300017485453	0	32	-1.0	-57.69	331.36	6.69	-51.00
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300017485454	0	37	-1.0	-44.72	346.43	3.49	-41.23
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300017485455	0	40	-1.0	-46.72	371.84	4.77	-41.95
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300017485456	0	35	-1.0	-49.07	329.06	6.17	-42.90
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300017485457	0	32	-1.0	-59.40	332.73	6.67	-52.73
CC1=CC=C(CS(=O)(=O)N(CCC#N)CC(=O)[O-])C(F)=C1	REAL300017485458	0	35	-1.0	-63.12	324.67	6.32	-56.80
N#CCCN(CC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300017485459	0	42	-1.0	-61.85	362.93	8.19	-53.66
CC(C)(C)C1=CC(CS(=O)(=O)N(CCC#N)CC(=O)[O-])=NO1	REAL300017485460	0	40	-1.0	-63.65	356.05	5.63	-58.02
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300017485461	0	38	-1.0	-46.78	334.39	2.08	-44.70
CCCC1=CC=C(Cl)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485462	0	38	-1.0	-54.56	345.73	7.37	-47.19
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N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300017485464	0	29	-1.0	-51.73	302.20	5.99	-45.74
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300017485465	0	35	-1.0	-62.43	315.74	7.32	-55.11
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]	REAL300017485466	0	34	-1.0	-68.67	316.00	6.67	-62.00
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300017485467	0	39	-1.0	-48.39	344.70	8.07	-40.32
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300017485468	0	32	-1.0	-42.29	314.70	5.94	-36.35
CC1=CC=C(F)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485469	0	32	-1.0	-53.86	289.27	5.40	-48.46
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017485470	0	29	-1.0	-39.71	311.55	6.61	-33.10
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485471	0	44	-1.0	-44.60	365.68	7.73	-36.87
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1Cl	REAL300017485472	0	32	-1.0	-42.03	310.71	6.04	-35.99
CC(C)OC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485473	0	39	-1.0	-53.70	343.68	5.74	-47.96
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300017485474	0	29	-1.0	-41.47	297.45	5.46	-36.01
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300017485475	0	29	-1.0	-40.07	294.28	5.12	-34.95
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(F)=C1	REAL300017485476	0	32	-1.0	-47.84	292.30	5.39	-42.45
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017485477	0	29	-1.0	-50.95	303.85	5.53	-45.42
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300017485478	0	32	-1.0	-54.84	315.59	5.88	-48.96
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017485479	0	29	-1.0	-39.74	303.14	5.50	-34.24
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017485480	0	29	-1.0	-39.93	288.83	4.96	-34.97
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NON=C21	REAL300017485481	0	30	-1.0	-46.11	289.23	3.76	-42.35
CC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1F	REAL300017485482	0	32	-1.0	-42.24	301.97	5.63	-36.61
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300017485483	0	32	-1.0	-43.47	319.58	5.99	-37.48
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300017485484	0	34	-1.0	-50.81	310.10	6.01	-44.80
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300017485485	0	32	-1.0	-57.99	308.82	6.32	-51.67
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300017485486	0	40	-1.0	-48.46	380.75	8.32	-40.14
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300017485487	0	29	-1.0	-57.06	293.04	5.38	-51.68
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300017485488	0	29	-1.0	-39.77	290.26	5.37	-34.40
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485489	0	35	-1.0	-42.54	326.57	5.48	-37.06
CC1=CC=C(F)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485490	0	32	-1.0	-57.25	298.27	5.54	-51.71
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1F	REAL300017485491	0	33	-1.0	-47.97	310.96	4.30	-43.67
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1F	REAL300017485492	0	32	-1.0	-42.07	301.98	5.64	-36.43
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017485493	0	29	-1.0	-41.96	289.88	5.27	-36.69
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300017485494	0	29	-1.0	-43.36	302.25	5.60	-37.76
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C2)C=C1	REAL300017485495	0	44	-1.0	-45.57	393.43	7.07	-38.50
CC(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1Cl	REAL300017485496	0	36	-1.0	-47.92	345.43	4.44	-43.48
CC(C)OC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C2=CC=CC=C12	REAL300017485497	0	45	-1.0	-60.35	384.12	8.21	-52.14
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C#N)=C1	REAL300017485498	0	33	-1.0	-42.98	317.89	6.00	-36.98
CC1=CC=C(Cl)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1Cl	REAL300017485499	0	32	-1.0	-44.20	313.48	6.70	-37.50
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300017485500	0	32	-1.0	-39.63	328.92	6.60	-33.03
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C2=CC=CC=C12	REAL300017485501	0	39	-1.0	-60.83	344.06	6.67	-54.16
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C(N)=O	REAL300017485502	0	36	-1.0	-43.89	325.86	2.38	-41.51
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C(N)=O	REAL300017485503	0	37	-1.0	-47.99	337.05	2.31	-45.68
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485504	0	34	-1.0	-53.89	320.22	6.41	-47.48
CC(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(F)=C1	REAL300017485505	0	36	-1.0	-54.56	332.47	3.72	-50.84
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485506	0	34	-1.0	-58.62	313.56	6.21	-52.41
CCOC(=O)C1CCN(S(=O)(=O)N(CCC#N)CC(=O)[O-])CC1	REAL300017485507	0	43	-1.0	-59.88	367.82	5.58	-54.30
CN1C=NC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1Cl	REAL300017485508	0	29	-1.0	-57.89	293.22	4.55	-53.34
CC(=O)NCCC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485509	0	42	-1.0	-63.39	378.12	4.67	-58.72
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485510	0	37	-1.0	-54.63	335.99	7.29	-47.34
CC(C)CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485511	0	41	-1.0	-44.15	356.40	7.62	-36.53
COCCC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485512	0	39	-1.0	-54.76	350.98	5.40	-49.36
COCCN(CCOC)S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485513	0	41	-1.0	-46.35	347.29	1.91	-44.44
CC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485514	0	32	-1.0	-53.41	299.47	5.84	-47.57
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(F)=C1Cl	REAL300017485515	0	36	-1.0	-49.16	352.75	4.72	-44.44
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300017485516	0	36	-1.0	-57.02	339.95	6.16	-50.86
COC(=O)C1=C(F)C=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1F	REAL300017485517	0	35	-1.0	-58.20	339.07	5.61	-52.59
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(Cl)=C1Cl	REAL300017485518	0	33	-1.0	-59.30	331.90	5.38	-53.92
CC1=CC(Br)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S1	REAL300017485519	0	29	-1.0	-55.12	304.87	5.22	-49.90
CC1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300017485520	0	39	-1.0	-55.78	371.29	7.00	-48.78
COC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C(Br)O1	REAL300017485521	0	32	-1.0	-43.06	327.79	4.08	-38.98
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300017485522	0	33	-1.0	-46.30	327.96	3.79	-42.51
COC(=O)C1=NC=CC2=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=CC=C12	REAL300017485523	0	40	-1.0	-45.67	347.88	5.40	-40.27
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F	REAL300017485524	0	34	-1.0	-45.87	333.74	5.65	-40.22
CC1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C(Br)S1	REAL300017485525	0	29	-1.0	-40.99	297.68	5.16	-35.83
COC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CN1	REAL300017485526	0	33	-1.0	-52.15	319.01	3.28	-48.87
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C#N	REAL300017485527	0	30	-1.0	-45.48	284.79	4.77	-40.71
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300017485528	0	30	-1.0	-45.37	295.13	5.22	-40.15
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1Br	REAL300017485529	0	32	-1.0	-42.07	314.76	6.13	-35.94
CC1=C(F)C=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485530	0	32	-1.0	-57.04	296.30	5.75	-51.29
COC(=O)CN1C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=N1	REAL300017485531	0	35	-1.0	-63.65	334.26	3.65	-60.00
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300017485532	0	35	-1.0	-41.65	313.73	6.94	-34.71
CC(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C2=CC=CC=C12	REAL300017485533	0	42	-1.0	-48.67	351.42	5.55	-43.12
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300017485534	0	34	-1.0	-56.78	330.67	6.92	-49.86
CCC1=NC2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C2O1	REAL300017485535	0	37	-1.0	-51.76	340.41	3.34	-48.42
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1	REAL300017485536	0	43	-1.0	-44.57	381.12	6.14	-38.43
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485537	0	35	-1.0	-54.90	335.49	5.61	-49.29
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485538	0	38	-1.0	-54.45	357.35	6.54	-47.91
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300017485539	0	36	-1.0	-46.21	335.19	6.57	-39.64
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485540	0	44	-1.0	-54.23	364.12	5.79	-48.44
CC1=C(Br)SC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485541	0	29	-1.0	-42.73	308.92	5.26	-37.47
CC1=CC=C(CS(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1F	REAL300017485543	0	35	-1.0	-44.31	323.72	6.34	-37.97
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300017485544	0	33	-1.0	-62.40	316.68	6.06	-56.34
COC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC(F)=C1F	REAL300017485545	0	35	-1.0	-51.42	339.92	5.63	-45.79
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017485546	0	41	-1.0	-56.38	358.41	6.36	-50.02
N#CCCN(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017485547	0	47	-1.0	-42.17	362.00	6.60	-35.57
CC1=NC2=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=CC=C2C=C1	REAL300017485548	0	37	-1.0	-51.25	330.39	6.54	-44.71
N#CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017485549	0	37	-1.0	-47.49	338.17	6.80	-40.69
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017485550	0	40	-1.0	-55.25	352.07	3.42	-51.83
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485551	0	43	-1.0	-61.62	392.68	6.15	-55.47
CCCN1C=NC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485552	0	35	-1.0	-47.03	322.83	5.66	-41.37
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017485553	0	30	-1.0	-52.08	317.25	5.78	-46.30
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1CCC(F)CC1	REAL300017485554	0	38	-1.0	-60.26	321.66	6.05	-54.21
CC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1Cl	REAL300017485555	0	32	-1.0	-42.15	310.71	6.03	-36.12
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017485556	0	35	-1.0	-47.78	323.37	5.91	-41.87
CC1=CSC(C2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C2)=N1	REAL300017485557	0	38	-1.0	-54.84	360.54	6.37	-48.47
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1F	REAL300017485558	0	35	-1.0	-51.05	340.50	5.85	-45.20
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485559	0	38	-1.0	-47.80	351.18	6.12	-41.68
CC1=C(Br)C=CC=C1CS(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485560	0	35	-1.0	-60.14	330.37	6.79	-53.35
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017485561	0	32	-1.0	-58.77	317.81	6.14	-52.63
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017485562	0	29	-1.0	-50.05	312.35	6.01	-44.04
CC1=CC(C(N)=O)=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485563	0	36	-1.0	-64.24	330.25	2.32	-61.92
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485564	0	54	-1.0	-53.72	454.78	9.82	-43.90
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485565	0	44	-1.0	-48.95	385.12	7.28	-41.67
CCC1CCN(S(=O)(=O)N(CCC#N)CC(=O)[O-])CC1	REAL300017485566	0	40	-1.0	-55.28	330.36	5.28	-50.00
N#CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017485567	0	35	-1.0	-60.01	325.85	6.46	-53.55
N#CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1F	REAL300017485568	0	35	-1.0	-43.85	324.07	6.45	-37.40
N#CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017485569	0	35	-1.0	-42.88	331.19	6.79	-36.09
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485570	0	33	-1.0	-53.30	326.02	5.52	-47.78
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CC(=O)N1CCC2=C(C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S2)C1	REAL300017485572	0	40	-1.0	-44.75	365.75	5.40	-39.35
CC1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017485573	0	36	-1.0	-43.46	345.84	7.29	-36.17
COC1CCN(S(=O)(=O)N(CCC#N)CC(=O)[O-])CC1	REAL300017485574	0	38	-1.0	-53.75	321.83	2.93	-50.82
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017485575	0	32	-1.0	-58.00	321.06	6.25	-51.75
CCC(C)OC1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485576	0	42	-1.0	-49.31	365.28	6.58	-42.73
CC(CC(F)(F)F)CS(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485577	0	34	-1.0	-39.96	308.51	5.13	-34.83
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017485578	0	36	-1.0	-52.70	335.35	6.98	-45.72
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C2)=N1	REAL300017485579	0	41	-1.0	-48.36	358.96	4.38	-43.98
COC1=CC(F)=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485580	0	33	-1.0	-41.23	299.01	5.25	-35.98
COC(=O)C1=C(C)C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])O1	REAL300017485581	0	35	-1.0	-53.41	332.31	4.28	-49.13
CCC1=NC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CN1CC1CC1	REAL300017485582	0	42	-1.0	-61.90	369.05	6.68	-55.22
CC(=O)N1CC2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C2C1	REAL300017485583	0	40	-1.0	-62.51	358.14	5.39	-57.12
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017485584	0	32	-1.0	-45.77	315.20	4.43	-41.34
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017485585	0	32	-1.0	-62.15	317.83	4.45	-57.70
CCCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C(C)C	REAL300017485586	0	48	-1.0	-44.32	406.70	7.98	-36.34
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017485587	0	37	-1.0	-53.71	331.35	6.91	-46.80
CN1N=CC(C2CC2)=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485588	0	36	-1.0	-50.59	318.29	4.72	-45.87
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017485589	0	42	-1.0	-52.59	372.14	7.13	-45.46
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017485590	0	43	-1.0	-49.04	392.72	8.28	-40.76
COC(CS(=O)(=O)N(CCC#N)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300017485591	0	39	-1.0	-59.79	355.99	5.99	-53.80
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017485592	0	41	-1.0	-56.79	358.28	6.34	-50.45
COC(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1Cl	REAL300017485593	0	37	-1.0	-45.65	357.14	3.82	-41.83
COC(=O)C1=CC=CC2=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=CC=C12	REAL300017485594	0	41	-1.0	-58.98	363.00	7.81	-51.17
COC(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C	REAL300017485595	0	40	-1.0	-45.86	359.93	4.03	-41.83
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017485596	0	38	-1.0	-39.27	322.47	6.09	-33.18
CCOC1(CS(=O)(=O)N(CCC#N)CC(=O)[O-])CCOCC1	REAL300017485597	0	43	-1.0	-42.01	350.84	3.65	-38.36
CCOC(CS(=O)(=O)N(CCC#N)CC(=O)[O-])C1CC1	REAL300017485598	0	39	-1.0	-61.58	338.28	5.19	-56.39
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1F	REAL300017485599	0	35	-1.0	-50.77	330.18	5.40	-45.37
CC(=O)N1CCC2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C(Cl)C=C21	REAL300017485600	0	40	-1.0	-62.13	361.17	6.27	-55.86
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485601	0	32	-1.0	-44.14	313.48	3.43	-40.71
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017485602	0	40	-1.0	-56.52	374.95	8.98	-47.54
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485603	0	32	-1.0	-50.74	309.94	5.99	-44.75
CC1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1Br	REAL300017485604	0	32	-1.0	-59.28	309.58	6.27	-53.01
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485605	0	35	-1.0	-66.12	333.72	5.90	-60.22
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017485606	0	37	-1.0	-54.85	333.01	2.64	-52.21
COC1=CC(Br)=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485607	0	33	-1.0	-52.59	325.13	4.80	-47.79
COC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017485608	0	35	-1.0	-44.08	330.76	5.67	-38.41
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485609	0	35	-1.0	-46.36	325.42	6.63	-39.73
COCCN1C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=N1	REAL300017485610	0	36	-1.0	-47.61	330.27	2.28	-45.33
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485611	0	42	-1.0	-48.78	357.80	6.05	-42.73
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017485612	0	36	-1.0	-58.81	338.77	5.43	-53.38
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1C	REAL300017485613	0	56	-1.0	-53.69	458.29	9.35	-44.34
N#CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017485614	0	37	-1.0	-63.38	347.66	7.06	-56.32
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017485615	0	29	-1.0	-42.64	302.26	5.59	-37.05
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017485616	0	32	-1.0	-62.08	309.67	5.71	-56.37
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017485617	0	36	-1.0	-63.33	339.90	2.80	-60.53
CCN1C(=O)OC2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C21	REAL300017485618	0	38	-1.0	-58.90	350.27	5.85	-53.05
CC1=C(Br)C=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485619	0	32	-1.0	-56.47	308.83	6.26	-50.21
COCC1=CC=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485620	0	36	-1.0	-49.31	319.09	4.88	-44.43
COC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1Br	REAL300017485621	0	33	-1.0	-42.63	325.18	4.91	-37.72
CS(=O)(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C(Cl)S1	REAL300017485622	0	32	-1.0	-57.36	338.40	1.85	-55.51
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017485623	0	32	-1.0	-49.79	314.46	3.73	-46.06
CC1(C)CC2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C2O1	REAL300017485624	0	40	-1.0	-47.71	347.95	5.91	-41.80
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1F	REAL300017485625	0	37	-1.0	-45.44	354.20	1.70	-43.74
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1F	REAL300017485626	0	40	-1.0	-44.62	375.64	2.60	-42.02
CCC(=O)NCC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1OC	REAL300017485627	0	46	-1.0	-48.09	406.19	4.08	-44.01
CCC1=CC=C(CS(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485628	0	38	-1.0	-43.59	339.89	7.08	-36.51
COC1=CC=C(Br)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485629	0	33	-1.0	-52.53	310.73	4.35	-48.18
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017485630	0	44	-1.0	-43.26	388.99	5.36	-37.90
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485631	0	38	-1.0	-58.04	357.40	3.34	-54.70
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017485632	0	31	-1.0	-42.78	323.52	4.84	-37.94
CC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1Br	REAL300017485633	0	34	-1.0	-43.41	332.03	5.94	-37.47
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485634	0	34	-1.0	-61.77	322.58	5.59	-56.18
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300017485635	0	30	-1.0	-52.30	316.47	5.88	-46.42
CCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1Br	REAL300017485636	0	36	-1.0	-46.12	347.04	5.82	-40.30
N#CCCN(CC(=O)[O-])S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017485637	0	43	-1.0	-44.01	390.50	4.35	-39.66
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017485638	0	32	-1.0	-48.64	307.64	5.69	-42.95
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485639	0	42	-1.0	-52.49	382.52	6.64	-45.85
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017485640	0	29	-1.0	-39.48	304.01	6.29	-33.19
CC1(C)CN(S(=O)(=O)N(CCC#N)CC(=O)[O-])CCO1	REAL300017485641	0	38	-1.0	-46.22	316.64	2.87	-43.35
COC1=C(C)C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C	REAL300017485642	0	39	-1.0	-45.98	348.86	5.82	-40.16
CC(C)CCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485643	0	45	-1.0	-53.64	386.31	7.23	-46.41
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017485644	0	43	-1.0	-44.86	369.90	7.16	-37.70
CC(C)COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485645	0	42	-1.0	-53.80	367.36	6.62	-47.18
CCCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485646	0	39	-1.0	-53.82	347.25	5.92	-47.90
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1Cl	REAL300017485647	0	33	-1.0	-46.41	320.77	4.78	-41.63
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017485648	0	33	-1.0	-44.95	330.53	5.06	-39.89
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C	REAL300017485649	0	36	-1.0	-44.74	324.83	4.97	-39.77
CC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1OC(C)C	REAL300017485650	0	42	-1.0	-44.77	364.60	6.52	-38.25
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(C)=C1	REAL300017485651	0	36	-1.0	-56.89	321.45	5.05	-51.84
COCCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485652	0	40	-1.0	-56.53	359.40	4.39	-52.14
COCCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C	REAL300017485653	0	43	-1.0	-47.23	380.34	5.15	-42.08
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300017485654	0	32	-1.0	-61.23	303.24	5.64	-55.59
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485655	0	40	-1.0	-56.67	366.00	4.59	-52.08
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017485656	0	44	-1.0	-55.78	378.99	4.33	-51.45
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485657	0	39	-1.0	-59.16	348.97	4.82	-54.34
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(Br)=C1	REAL300017485658	0	32	-1.0	-45.09	300.10	5.70	-39.39
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485659	0	35	-1.0	-62.01	342.05	2.68	-59.33
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485660	0	35	-1.0	-64.62	338.37	7.06	-57.56
CC1=CC(Br)=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485662	0	32	-1.0	-54.26	313.29	6.36	-47.90
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1C	REAL300017485663	0	37	-1.0	-56.94	314.63	7.43	-49.51
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485664	0	35	-1.0	-57.28	336.16	5.83	-51.45
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485665	0	38	-1.0	-62.78	343.50	2.85	-59.93
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485668	0	45	-1.0	-57.05	385.62	6.62	-50.43
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017485669	0	41	-1.0	-49.45	384.28	2.78	-46.67
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485670	0	37	-1.0	-57.24	351.03	1.06	-56.18
CC(=O)NCCC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S1	REAL300017485671	0	39	-1.0	-49.53	371.52	3.87	-45.66
COC(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])O1	REAL300017485672	0	32	-1.0	-45.03	310.05	3.46	-41.57
CC1=NC(C)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S1	REAL300017485673	0	31	-1.0	-44.68	297.70	3.40	-41.28
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017485674	0	31	-1.0	-65.16	297.77	6.54	-58.62
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017485675	0	32	-1.0	-40.03	330.52	6.65	-33.38
CCOC(=O)C1=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C(C)N1	REAL300017485676	0	42	-1.0	-53.64	367.36	5.49	-48.15
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017485677	0	29	-1.0	-57.49	289.99	5.70	-51.79
CC1=NC(C2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S2)=CS1	REAL300017485678	0	35	-1.0	-54.48	354.26	5.46	-49.02
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017485679	0	49	-1.0	-44.96	409.81	8.54	-36.42
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017485680	0	39	-1.0	-52.57	372.50	4.50	-48.07
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485681	0	38	-1.0	-59.08	337.77	5.99	-53.09
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017485682	0	31	-1.0	-42.41	303.94	6.76	-35.65
COC1=CC(F)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1OC	REAL300017485683	0	37	-1.0	-55.46	335.53	4.08	-51.38
COC1=CC(C)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1OC	REAL300017485684	0	40	-1.0	-54.88	341.62	4.53	-50.35
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017485685	0	31	-1.0	-53.49	313.62	6.98	-46.51
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485686	0	37	-1.0	-49.32	322.66	6.53	-42.79
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017485687	0	32	-1.0	-47.70	314.84	5.83	-41.87
CN1C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C(N)=O	REAL300017485688	0	34	-1.0	-57.44	316.92	1.04	-56.40
CC1=CC(Cl)=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485689	0	32	-1.0	-54.42	308.73	6.26	-48.16
CCOC(=O)C1CCCN1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485690	0	40	-1.0	-64.00	351.23	5.39	-58.61
CNC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CN1C	REAL300017485691	0	37	-1.0	-57.43	338.86	2.53	-54.90
COC1=CC(C)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(C)=C1	REAL300017485692	0	39	-1.0	-44.12	326.36	5.57	-38.55
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017485693	0	37	-1.0	-60.36	347.40	4.77	-55.59
COC(=O)C1=CC=C(CS(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485694	0	38	-1.0	-44.05	351.80	6.29	-37.76
COC(=O)C1CCN(S(=O)(=O)N(CCC#N)CC(=O)[O-])CC1	REAL300017485695	0	40	-1.0	-55.89	344.06	4.55	-51.34
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017485696	0	40	-1.0	-56.70	349.83	5.03	-51.67
COC(=O)C1=CC=CC(CS(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485697	0	38	-1.0	-45.84	351.81	6.28	-39.56
CCOC(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])O1	REAL300017485698	0	35	-1.0	-44.84	331.91	4.39	-40.45
COC(=O)CCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485699	0	42	-1.0	-56.98	381.23	5.97	-51.01
COC1=CC(C)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C	REAL300017485700	0	39	-1.0	-56.82	340.55	5.74	-51.08
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017485701	0	33	-1.0	-56.94	308.86	5.02	-51.92
CCOC(=O)CCCS(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485702	0	37	-1.0	-43.27	335.93	5.12	-38.15
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017485703	0	32	-1.0	-57.98	302.26	6.40	-51.58
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017485704	0	31	-1.0	-42.36	308.51	6.87	-35.49
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485705	0	34	-1.0	-60.29	295.22	6.19	-54.10
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017485706	0	31	-1.0	-42.00	306.91	5.71	-36.29
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=CS1	REAL300017485707	0	26	-1.0	-55.75	283.00	4.42	-51.33
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017485708	0	33	-1.0	-54.18	307.36	5.11	-49.07
CC1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300017485709	0	37	-1.0	-54.40	315.74	5.91	-48.49
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017485710	0	31	-1.0	-62.71	309.65	4.25	-58.46
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017485711	0	37	-1.0	-45.44	335.93	4.02	-41.42
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017485712	0	28	-1.0	-49.57	297.95	3.92	-45.65
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017485713	0	31	-1.0	-44.43	299.11	5.39	-39.04
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017485714	0	31	-1.0	-42.68	319.66	6.06	-36.62
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485715	0	38	-1.0	-60.09	353.82	3.50	-56.59
CCN1C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300017485716	0	34	-1.0	-68.84	324.38	5.60	-63.24
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017485717	0	31	-1.0	-69.98	308.37	6.17	-63.81
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017485718	0	31	-1.0	-50.12	308.94	5.62	-44.50
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017485719	0	36	-1.0	-56.30	345.33	5.58	-50.72
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017485720	0	31	-1.0	-64.42	316.27	7.17	-57.25
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017485721	0	43	-1.0	-55.38	385.67	8.18	-47.20
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(F)=C1	REAL300017485722	0	37	-1.0	-51.04	349.67	1.55	-49.49
CCC(=O)C1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485723	0	37	-1.0	-55.23	338.30	6.19	-49.04
CCOC(=O)N1CCN(S(=O)(=O)N(CCC#N)CC(=O)[O-])CC1	REAL300017485724	0	42	-1.0	-49.37	358.77	3.50	-45.87
COC1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017485725	0	38	-1.0	-56.20	349.45	5.96	-50.24
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017485726	0	39	-1.0	-54.96	360.91	6.45	-48.51
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017485727	0	32	-1.0	-67.86	296.44	3.84	-64.02
CC(C)CCN(CCC(C)C)S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485728	0	51	-1.0	-47.38	407.57	7.56	-39.82
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485729	0	37	-1.0	-59.66	347.97	1.61	-58.05
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1	REAL300017485730	0	32	-1.0	-41.96	303.41	5.69	-36.27
CS(=O)(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1F	REAL300017485731	0	35	-1.0	-45.25	340.34	2.48	-42.77
CCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C2=CC=CC=C12	REAL300017485732	0	42	-1.0	-60.38	365.94	7.59	-52.79
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485733	0	39	-1.0	-59.03	342.18	6.42	-52.61
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017485734	0	34	-1.0	-64.48	322.61	5.05	-59.43
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017485735	0	36	-1.0	-55.23	335.48	5.99	-49.24
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017485736	0	31	-1.0	-47.50	319.67	6.06	-41.44
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300017485737	0	30	-1.0	-62.60	291.47	5.03	-57.57
CCOCCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485738	0	43	-1.0	-56.51	381.26	5.35	-51.16
CCCCCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485739	0	45	-1.0	-53.74	390.26	7.48	-46.26
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017485740	0	31	-1.0	-62.99	304.62	7.04	-55.95
COC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1F	REAL300017485741	0	35	-1.0	-43.07	334.62	5.60	-37.47
COC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C(Cl)C=C1Cl	REAL300017485742	0	35	-1.0	-51.05	349.13	6.28	-44.77
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485743	0	39	-1.0	-61.55	353.70	5.50	-56.05
COC(=O)CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S1	REAL300017485744	0	35	-1.0	-46.59	344.79	5.55	-41.04
COC(=O)C1=CSC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485745	0	32	-1.0	-49.01	323.41	4.61	-44.40
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485746	0	41	-1.0	-48.09	352.42	6.45	-41.64
COC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1Cl	REAL300017485747	0	35	-1.0	-42.23	342.60	5.96	-36.27
COC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1C	REAL300017485748	0	38	-1.0	-43.53	346.09	6.11	-37.42
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485749	0	35	-1.0	-58.96	331.60	5.52	-53.44
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017485750	0	39	-1.0	-58.49	331.20	7.53	-50.96
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017485751	0	35	-1.0	-59.33	322.61	6.69	-52.64
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300017485752	0	28	-1.0	-50.47	290.69	3.70	-46.77
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017485753	0	33	-1.0	-51.61	330.79	6.36	-45.25
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2COCC2=C1	REAL300017485754	0	34	-1.0	-54.36	310.34	4.18	-50.18
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017485755	0	34	-1.0	-52.84	325.03	0.34	-52.50
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C2S1	REAL300017485756	0	43	-1.0	-52.90	387.34	6.85	-46.05
COC(=O)CC1(CS(=O)(=O)N(CCC#N)CC(=O)[O-])CC1	REAL300017485757	0	38	-1.0	-48.75	340.24	5.42	-43.33
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485758	0	34	-1.0	-42.57	326.36	4.80	-37.77
CC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C(F)C=C1F	REAL300017485759	0	32	-1.0	-41.64	302.85	5.54	-36.10
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485760	0	36	-1.0	-56.53	338.53	6.03	-50.50
CC(C)N1N=CC2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C21	REAL300017485761	0	41	-1.0	-55.13	365.03	6.42	-48.71
CCCCCCN1C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(=O)NC1=O	REAL300017485762	0	47	-1.0	-57.32	403.39	6.06	-51.26
CC1=CN(C2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C2F)N=C1	REAL300017485763	0	39	-1.0	-46.38	359.88	6.96	-39.42
COC(=O)C1=CC(OC)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S1	REAL300017485764	0	36	-1.0	-57.67	348.35	3.96	-53.71
CCS(=O)(=O)NCCS(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485765	0	36	-1.0	-50.24	337.04	-0.33	-50.57
CC1=CC(F)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1F	REAL300017485766	0	32	-1.0	-54.32	303.56	5.58	-48.74
CC1=CC(Cl)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017485767	0	34	-1.0	-53.64	325.84	6.39	-47.25
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300017485768	0	26	-1.0	-43.79	274.88	3.40	-40.39
CC1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300017485769	0	35	-1.0	-44.90	326.81	6.21	-38.69
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017485770	0	26	-1.0	-39.00	296.08	4.98	-34.02
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017485771	0	32	-1.0	-44.06	320.95	6.45	-37.61
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017485772	0	32	-1.0	-52.68	330.37	6.84	-45.84
CC1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017485773	0	35	-1.0	-46.04	338.36	7.69	-38.35
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017485774	0	32	-1.0	-42.39	312.98	6.24	-36.15
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017485775	0	35	-1.0	-47.66	322.66	7.80	-39.86
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017485776	0	35	-1.0	-64.36	332.45	7.83	-56.53
CN1C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017485777	0	40	-1.0	-57.34	379.66	3.83	-53.51
CCOC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CN1C	REAL300017485778	0	39	-1.0	-60.44	357.93	5.91	-54.53
CCOC(=O)C1CC2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C2O1	REAL300017485779	0	43	-1.0	-49.97	388.80	7.16	-42.81
CS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1F	REAL300017485780	0	35	-1.0	-47.13	340.35	2.48	-44.65
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485781	0	38	-1.0	-58.24	359.86	4.46	-53.78
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485782	0	42	-1.0	-50.74	382.64	6.50	-44.24
CC1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])SC2=CC=CC(F)=C12	REAL300017485783	0	35	-1.0	-55.80	332.60	6.95	-48.85
N#CCCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017485784	0	40	-1.0	-48.17	373.26	1.98	-46.19
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1N(C)C	REAL300017485786	0	40	-1.0	-45.66	349.86	5.58	-40.08
CN1C(Cl)=NC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485787	0	29	-1.0	-41.86	290.10	3.87	-37.99
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485788	0	34	-1.0	-53.16	323.64	6.37	-46.79
CSC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1Cl	REAL300017485789	0	33	-1.0	-46.09	330.45	6.40	-39.69
CN1C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])N=C1Cl	REAL300017485790	0	29	-1.0	-60.07	295.09	3.71	-56.36
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300017485791	0	32	-1.0	-72.03	317.08	5.75	-66.28
N#CCCN(CC(=O)[O-])S(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017485792	0	41	-1.0	-48.20	374.32	7.40	-40.80
CN(C)C1=CC=C(Br)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485793	0	37	-1.0	-52.37	333.73	5.48	-46.89
CC1=NN2C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=NC2=C1Cl	REAL300017485794	0	34	-1.0	-46.82	336.15	4.87	-41.95
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485795	0	35	-1.0	-64.87	338.76	7.07	-57.80
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485796	0	41	-1.0	-44.62	346.82	5.36	-39.26
CCC1=NOC2=NC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C12	REAL300017485797	0	36	-1.0	-48.55	336.54	2.64	-45.91
CC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017485798	0	34	-1.0	-51.27	327.38	6.21	-45.06
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017485799	0	35	-1.0	-53.23	341.48	7.76	-45.47
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485800	0	35	-1.0	-64.94	328.43	6.63	-58.31
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017485801	0	32	-1.0	-68.69	294.54	3.97	-64.72
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017485802	0	32	-1.0	-58.88	331.39	6.69	-52.19
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300017485803	0	37	-1.0	-74.58	350.67	3.15	-71.43
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017485804	0	28	-1.0	-40.04	292.43	3.82	-36.22
COC(=O)C1CCCCC1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485805	0	41	-1.0	-41.64	335.94	5.52	-36.12
COC(=O)C1(C2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C2)CC1	REAL300017485806	0	42	-1.0	-56.66	372.67	7.51	-49.15
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300017485807	0	36	-1.0	-55.91	321.64	4.97	-50.94
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300017485808	0	33	-1.0	-60.82	333.00	6.37	-54.45
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017485809	0	35	-1.0	-52.01	342.97	2.93	-49.08
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485810	0	33	-1.0	-53.29	326.05	5.51	-47.78
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017485811	0	38	-1.0	-65.87	341.49	8.68	-57.19
CCC1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C(C(=O)OC)O1	REAL300017485812	0	38	-1.0	-45.34	339.01	4.73	-40.61
N#CCCN(CC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017485813	0	46	-1.0	-61.08	382.36	6.56	-54.52
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(C)=C1F	REAL300017485814	0	36	-1.0	-53.36	317.38	4.67	-48.69
N#CCCN(CC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017485815	0	49	-1.0	-48.55	386.31	6.35	-42.20
N#CCCN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017485816	0	43	-1.0	-40.10	364.40	5.06	-35.04
N#CCCN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017485817	0	40	-1.0	-63.05	372.88	5.66	-57.39
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485818	0	37	-1.0	-62.97	350.23	7.24	-55.73
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1	REAL300017485819	0	39	-1.0	-68.81	329.24	5.79	-63.02
CC1(CS(=O)(=O)N(CCC#N)CC(=O)[O-])CCCCC1	REAL300017485820	0	41	-1.0	-50.14	319.90	6.16	-43.98
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017485821	0	38	-1.0	-43.73	327.92	6.10	-37.63
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017485822	0	32	-1.0	-51.84	308.43	3.56	-48.28
COC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1F	REAL300017485823	0	33	-1.0	-42.88	310.97	4.31	-38.57
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485824	0	40	-1.0	-59.01	358.42	5.20	-53.81
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485825	0	43	-1.0	-60.80	386.32	6.23	-54.57
CC(C)C1=CC=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485826	0	38	-1.0	-51.38	324.68	6.73	-44.65
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017485827	0	43	-1.0	-58.98	384.87	8.38	-50.60
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017485828	0	29	-1.0	-50.90	312.97	5.95	-44.95
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C2O1	REAL300017485829	0	44	-1.0	-53.28	398.05	7.57	-45.71
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485830	0	41	-1.0	-58.68	359.60	6.92	-51.76
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017485831	0	29	-1.0	-56.35	309.97	6.13	-50.22
CC1=C(Cl)SC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485832	0	29	-1.0	-42.47	304.70	5.15	-37.32
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(F)=C1	REAL300017485833	0	33	-1.0	-48.70	300.36	4.02	-44.68
CC1=CC=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1[N+](=O)[O-]	REAL300017485834	0	37	-1.0	-52.71	324.06	7.72	-44.99
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017485835	0	35	-1.0	-56.70	335.41	6.67	-50.03
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485836	0	39	-1.0	-41.50	349.93	7.27	-34.23
COC(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485837	0	37	-1.0	-59.04	341.57	3.12	-55.92
CN(C)C1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485838	0	37	-1.0	-46.62	326.37	5.32	-41.30
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017485839	0	35	-1.0	-47.42	315.52	5.29	-42.13
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017485841	0	32	-1.0	-47.81	307.45	5.79	-42.02
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017485842	0	32	-1.0	-49.96	329.80	6.39	-43.57
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017485843	0	32	-1.0	-43.98	309.62	5.72	-38.26
CC1=CC(Br)=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485844	0	32	-1.0	-53.20	317.03	6.17	-47.03
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485845	0	40	-1.0	-56.45	349.39	3.70	-52.75
CSC1=CC=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485846	0	33	-1.0	-45.38	298.49	5.42	-39.96
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485847	0	40	-1.0	-56.05	352.45	4.46	-51.59
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017485848	0	41	-1.0	-44.45	362.46	4.38	-40.07
COC1=C(F)C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017485849	0	35	-1.0	-49.89	337.80	5.71	-44.18
COC(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017485850	0	39	-1.0	-42.24	365.95	4.28	-37.96
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017485851	0	40	-1.0	-55.09	374.14	6.74	-48.35
COC(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(OC)=C1	REAL300017485852	0	39	-1.0	-45.27	347.24	5.84	-39.43
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485853	0	32	-1.0	-50.81	309.95	6.00	-44.81
CC1=CC(C)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017485854	0	37	-1.0	-49.43	329.72	6.77	-42.66
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017485855	0	37	-1.0	-54.13	336.89	6.17	-47.96
N#CCCN(CC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017485856	0	35	-1.0	-70.12	314.13	1.21	-68.91
CN1C(=O)N(C)C2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C21	REAL300017485857	0	39	-1.0	-45.65	355.49	5.86	-39.79
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017485858	0	34	-1.0	-60.19	322.59	5.06	-55.13
COC1=CC(F)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(F)=C1	REAL300017485859	0	33	-1.0	-46.08	312.94	4.50	-41.58
CCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(C)=C1	REAL300017485860	0	39	-1.0	-44.31	332.32	5.51	-38.80
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485861	0	37	-1.0	-54.97	351.86	1.10	-53.87
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485862	0	38	-1.0	-66.04	346.79	6.68	-59.36
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017485863	0	33	-1.0	-42.87	302.70	5.44	-37.43
CSC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485864	0	33	-1.0	-53.97	314.62	5.92	-48.05
CCCOC(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485865	0	41	-1.0	-53.86	372.51	7.28	-46.58
CCC(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485866	0	39	-1.0	-61.67	351.05	4.61	-57.06
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017485867	0	35	-1.0	-41.60	336.06	6.65	-34.95
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485868	0	40	-1.0	-58.51	341.87	6.55	-51.96
CCN1C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])N=C1C	REAL300017485869	0	35	-1.0	-48.64	321.07	4.73	-43.91
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017485870	0	28	-1.0	-42.17	292.09	3.73	-38.44
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017485871	0	35	-1.0	-47.33	313.14	4.59	-42.74
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017485872	0	34	-1.0	-45.32	297.95	4.84	-40.48
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017485873	0	41	-1.0	-57.14	364.00	6.75	-50.39
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017485874	0	29	-1.0	-58.05	283.15	4.93	-53.12
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017485875	0	29	-1.0	-54.63	298.15	5.50	-49.13
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C(F)(F)F	REAL300017485876	0	35	-1.0	-41.39	329.69	6.46	-34.93
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017485877	0	35	-1.0	-56.81	347.35	5.69	-51.12
CC1=NN(C)C2=NC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C12	REAL300017485878	0	37	-1.0	-45.96	341.54	4.66	-41.30
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017485879	0	32	-1.0	-61.59	324.55	6.27	-55.32
CC1=NOC2=NC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C12	REAL300017485880	0	33	-1.0	-44.19	315.04	1.92	-42.27
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017485881	0	38	-1.0	-56.65	355.96	7.73	-48.92
COCC1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485882	0	36	-1.0	-45.92	330.31	4.66	-41.26
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017485883	0	31	-1.0	-51.17	309.46	5.73	-45.44
COC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C(C(=O)OC)S1	REAL300017485884	0	38	-1.0	-55.34	367.79	5.79	-49.55
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485885	0	35	-1.0	-64.95	328.07	6.61	-58.34
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017485886	0	32	-1.0	-59.44	311.52	6.06	-53.38
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017485887	0	41	-1.0	-55.68	371.83	3.43	-52.25
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017485888	0	36	-1.0	-41.34	343.01	5.43	-35.91
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017485889	0	29	-1.0	-52.57	302.60	5.78	-46.79
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CN=C21	REAL300017485890	0	37	-1.0	-52.62	344.03	2.29	-50.33
CCOC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1F	REAL300017485923	0	38	-1.0	-42.81	356.45	6.53	-36.28
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017485924	0	37	-1.0	-65.38	337.78	5.74	-59.64
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017485925	0	29	-1.0	-53.04	287.69	5.23	-47.81
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485926	0	48	-1.0	-69.54	397.15	8.53	-61.01
N#CCCN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017485927	0	32	-1.0	-45.82	323.91	6.54	-39.28
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1Cl	REAL300017485929	0	36	-1.0	-57.40	346.98	4.38	-53.02
CC1CC2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C2O1	REAL300017485930	0	37	-1.0	-53.75	331.39	5.50	-48.25
COC1=CC(Cl)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1Cl	REAL300017485931	0	33	-1.0	-54.40	333.43	5.43	-48.97
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485932	0	41	-1.0	-41.52	325.55	7.55	-33.97
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485933	0	41	-1.0	-53.55	354.28	3.37	-50.18
COC(=O)C1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CS1	REAL300017485934	0	32	-1.0	-55.50	321.85	4.58	-50.92
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485935	0	38	-1.0	-63.83	359.09	7.55	-56.28
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017485936	0	40	-1.0	-45.59	380.66	8.28	-37.31
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017485937	0	35	-1.0	-46.20	341.72	5.62	-40.58
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017485938	0	35	-1.0	-56.46	357.67	6.14	-50.32
COC(=O)C1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1C	REAL300017485939	0	38	-1.0	-60.65	340.11	6.24	-54.41
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017485940	0	31	-1.0	-49.67	323.84	6.18	-43.49
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485941	0	33	-1.0	-49.59	327.31	5.66	-43.93
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485942	0	41	-1.0	-45.31	349.96	5.38	-39.93
CCOC(=O)N1CCC(S(=O)(=O)N(CCC#N)CC(=O)[O-])CC1	REAL300017485943	0	43	-1.0	-42.80	361.18	4.65	-38.15
CC1=NC(C2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C2)=CO1	REAL300017485944	0	38	-1.0	-57.29	350.70	3.94	-53.35
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017485945	0	28	-1.0	-41.28	302.35	4.01	-37.27
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017485946	0	32	-1.0	-55.48	304.56	5.30	-50.18
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017485947	0	32	-1.0	-53.04	300.37	3.54	-49.50
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017485948	0	37	-1.0	-54.20	328.02	5.51	-48.69
COC1=CC=C(Cl)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485949	0	33	-1.0	-55.25	310.71	4.46	-50.79
COC(=O)C1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C2=CC=CC=C2S1	REAL300017485950	0	38	-1.0	-47.68	357.18	7.53	-40.15
COC(=O)CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1	REAL300017485951	0	38	-1.0	-60.27	351.39	6.33	-53.94
N#CCCN(CC(=O)[O-])S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017485952	0	36	-1.0	-58.12	314.12	6.57	-51.55
N#CCCN(CC(=O)[O-])S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017485954	0	47	-1.0	-52.33	408.68	6.71	-45.62
N#CCCN(CC(=O)[O-])S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017485955	0	47	-1.0	-60.06	408.86	6.82	-53.24
N#CCCN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017485956	0	44	-1.0	-44.53	394.57	6.08	-38.45
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S1	REAL300017485957	0	31	-1.0	-52.15	314.12	5.28	-46.87
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C21	REAL300017485958	0	40	-1.0	-55.70	354.41	5.97	-49.73
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017485959	0	29	-1.0	-58.86	306.18	6.16	-52.70
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017485960	0	29	-1.0	-42.42	311.37	6.00	-36.42
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485961	0	39	-1.0	-56.20	331.92	6.38	-49.82
CC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1C#N	REAL300017485962	0	33	-1.0	-41.76	315.23	5.84	-35.92
COC(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1F	REAL300017485963	0	35	-1.0	-43.21	334.55	5.62	-37.59
COC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485964	0	33	-1.0	-56.77	315.79	5.36	-51.41
COC1=CC=C(C)C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485965	0	36	-1.0	-55.99	312.41	4.64	-51.35
COC1=CC(C)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1Cl	REAL300017485967	0	36	-1.0	-55.15	336.51	5.57	-49.58
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S1	REAL300017485968	0	35	-1.0	-51.96	348.69	5.66	-46.30
CC(=O)NC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1F	REAL300017485969	0	36	-1.0	-47.81	336.41	3.95	-43.86
COC1=CC(Cl)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1OC	REAL300017485970	0	37	-1.0	-56.73	346.64	4.79	-51.94
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017485971	0	33	-1.0	-44.94	320.71	4.57	-40.37
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017485972	0	32	-1.0	-39.37	319.59	6.00	-33.37
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C	REAL300017485973	0	40	-1.0	-50.22	367.11	1.90	-48.32
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C2S1	REAL300017485974	0	41	-1.0	-44.06	389.88	7.97	-36.09
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(Br)=C1	REAL300017485976	0	33	-1.0	-45.65	308.17	4.34	-41.31
CS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=N1	REAL300017485977	0	34	-1.0	-57.09	332.09	0.53	-56.56
CC1=CC2=C(C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-])OCO2	REAL300017485978	0	35	-1.0	-54.49	317.97	4.41	-50.08
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485979	0	35	-1.0	-55.39	320.27	6.14	-49.25
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017485980	0	29	-1.0	-40.19	296.80	5.68	-34.51
CC1=CC(F)=CC(C)=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485981	0	35	-1.0	-41.56	303.31	6.36	-35.20
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017485982	0	29	-1.0	-50.08	297.97	5.58	-44.50
COC1=CC2=C(C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-])OCC(=O)N2	REAL300017485983	0	39	-1.0	-58.67	349.70	2.07	-56.60
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017485984	0	30	-1.0	-60.31	297.43	3.44	-56.87
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017485985	0	29	-1.0	-56.75	297.46	5.48	-51.27
COC(=O)C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1OC	REAL300017485986	0	39	-1.0	-45.86	357.33	5.65	-40.21
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017485987	0	33	-1.0	-57.67	325.57	2.18	-55.49
CCOC1=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485988	0	36	-1.0	-48.70	326.62	5.15	-43.55
CC1(C)CC2=CC=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C2O1	REAL300017485989	0	40	-1.0	-48.59	349.58	6.30	-42.29
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017485990	0	33	-1.0	-39.23	331.92	6.11	-33.12
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(C)C(F)=C1	REAL300017544029	0	37	-1.0	-59.23	312.02	6.90	-52.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1	REAL300017544030	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	REAL300017544031	0	37	-1.0	-42.12	331.55	5.33	-36.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017544032	0	43	-1.0	-45.93	350.70	6.09	-39.84
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017544033	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	REAL300017544034	0	39	-1.0	-51.28	316.33	5.86	-45.42
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017544035	0	39	-1.0	-63.85	331.89	6.99	-56.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017544036	0	42	-1.0	-50.93	340.81	3.15	-47.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300017544037	0	45	-1.0	-43.47	375.70	5.38	-38.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017544038	0	32	-1.0	-39.44	306.21	5.22	-34.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300017544039	0	34	-1.0	-53.28	295.12	6.43	-46.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017544040	0	37	-1.0	-56.57	311.78	5.59	-50.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300017544041	0	40	-1.0	-45.26	352.16	6.06	-39.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300017544042	0	37	-1.0	-42.32	330.93	5.84	-36.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F	REAL300017544043	0	40	-1.0	-50.69	336.32	6.00	-44.69
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1C	REAL300017544044	0	37	-1.0	-58.75	317.73	7.36	-51.39
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017544045	0	34	-1.0	-59.45	310.03	6.12	-53.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017544046	0	31	-1.0	-40.44	303.13	5.64	-34.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300017544047	0	38	-1.0	-50.53	321.86	2.02	-48.51
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300017544048	0	56	-1.0	-50.93	443.19	9.41	-41.52
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1	REAL300017544049	0	46	-1.0	-54.04	372.71	6.83	-47.21
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300017544050	0	41	-1.0	-40.65	346.58	6.42	-34.23
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017544051	0	37	-1.0	-54.94	314.31	6.08	-48.86
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1F	REAL300017544052	0	37	-1.0	-59.96	317.23	6.42	-53.54
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017544053	0	37	-1.0	-55.92	322.33	6.41	-49.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1OC	REAL300017544054	0	35	-1.0	-38.19	314.56	4.91	-33.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O	REAL300017544055	0	46	-1.0	-47.39	363.65	3.34	-44.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1	REAL300017544056	0	42	-1.0	-53.68	354.01	5.08	-48.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1	REAL300017544057	0	38	-1.0	-46.11	338.55	7.70	-38.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300017544058	0	35	-1.0	-44.60	316.51	1.74	-42.86
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017544059	0	34	-1.0	-58.67	313.28	6.23	-52.44
CCC(C)OC1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544060	0	44	-1.0	-57.06	350.29	7.01	-50.05
CCN(C(C)C(=O)[O-])S(=O)(=O)CC(C)CC(F)(F)F	REAL300017544061	0	36	-1.0	-60.29	296.48	5.65	-54.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017544062	0	38	-1.0	-52.09	322.19	6.20	-45.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C	REAL300017544063	0	43	-1.0	-43.69	352.97	4.16	-39.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1OC	REAL300017544064	0	35	-1.0	-44.43	290.42	4.80	-39.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300017544065	0	37	-1.0	-49.98	320.80	3.89	-46.09
CCC1=NC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CN1CC1CC1	REAL300017544066	0	44	-1.0	-55.73	359.39	6.29	-49.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1	REAL300017544067	0	42	-1.0	-53.21	349.37	5.06	-48.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017544068	0	34	-1.0	-53.95	301.64	4.91	-49.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017544069	0	34	-1.0	-67.36	310.43	5.14	-62.22
CCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1C(C)C	REAL300017544070	0	50	-1.0	-56.10	392.12	8.41	-47.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300017544071	0	39	-1.0	-45.43	320.15	6.53	-38.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300017544072	0	38	-1.0	-54.57	309.98	4.51	-50.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017544073	0	44	-1.0	-49.43	361.44	6.74	-42.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017544074	0	45	-1.0	-44.24	382.56	7.88	-36.36
CCN(C(C)C(=O)[O-])S(=O)(=O)CC(OC)C1=CC=C(F)C=C1	REAL300017544075	0	41	-1.0	-58.21	343.35	6.57	-51.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017544076	0	43	-1.0	-53.99	346.79	5.94	-48.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1	REAL300017544077	0	39	-1.0	-50.51	344.19	3.37	-47.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12	REAL300017544078	0	43	-1.0	-43.17	343.90	6.97	-36.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1	REAL300017544079	0	42	-1.0	-60.65	345.03	4.46	-56.19
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017544080	0	40	-1.0	-41.32	313.08	5.72	-35.60
CCOC1(CS(=O)(=O)N(CC)C(C)C(=O)[O-])CCOCC1	REAL300017544081	0	45	-1.0	-59.19	341.98	3.27	-55.92
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300017544082	0	37	-1.0	-42.50	320.61	5.40	-37.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2	REAL300017544083	0	42	-1.0	-56.74	350.19	6.08	-50.66
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300017544084	0	34	-1.0	-48.87	300.52	4.08	-44.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017544085	0	42	-1.0	-58.77	360.75	9.43	-49.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1C	REAL300017544086	0	34	-1.0	-38.00	296.84	5.40	-32.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1Br	REAL300017544087	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	REAL300017544088	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	REAL300017544089	0	39	-1.0	-51.31	321.70	2.35	-48.96
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300017544090	0	35	-1.0	-44.01	315.91	4.43	-39.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300017544091	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	REAL300017544092	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	REAL300017544093	0	38	-1.0	-58.36	327.05	2.36	-56.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(CC2CC2)N=C1C	REAL300017544094	0	44	-1.0	-48.51	354.17	5.95	-42.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017544095	0	38	-1.0	-56.02	326.67	4.98	-51.04
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1C	REAL300017544096	0	58	-1.0	-44.69	453.25	9.22	-35.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1	REAL300017544097	0	45	-1.0	-42.62	376.08	2.43	-40.19
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017544098	0	39	-1.0	-57.83	336.12	6.68	-51.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017544099	0	31	-1.0	-39.56	292.09	5.19	-34.37
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017544100	0	34	-1.0	-41.51	300.35	5.35	-36.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017544101	0	38	-1.0	-68.87	324.49	2.32	-66.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC	REAL300017544102	0	40	-1.0	-43.86	341.86	5.55	-38.31
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300017544103	0	34	-1.0	-43.07	287.99	5.46	-37.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300017544104	0	38	-1.0	-50.14	302.19	4.26	-45.88
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300017544105	0	35	-1.0	-42.64	315.00	4.49	-38.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017544106	0	34	-1.0	-47.80	330.13	1.57	-46.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017544107	0	34	-1.0	-54.88	307.62	3.67	-51.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017544108	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	REAL300017544109	0	39	-1.0	-43.60	344.63	1.35	-42.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1	REAL300017544110	0	45	-1.0	-63.20	396.88	3.05	-60.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC	REAL300017544111	0	46	-1.0	-55.00	378.48	2.37	-52.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300017544112	0	50	-1.0	-64.72	415.00	6.34	-58.38
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1F	REAL300017544113	0	45	-1.0	-43.00	387.59	3.03	-39.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300017544114	0	46	-1.0	-58.05	356.19	5.42	-52.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300017544115	0	42	-1.0	-42.83	366.10	2.24	-40.59
CCC(=O)NCC1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC=C1OC	REAL300017544116	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	REAL300017544117	0	35	-1.0	-43.36	298.96	4.09	-39.27
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017544118	0	46	-1.0	-48.04	379.68	5.02	-43.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300017544119	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	REAL300017544120	0	33	-1.0	-48.36	311.55	4.46	-43.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1	REAL300017544121	0	36	-1.0	-48.58	319.62	5.50	-43.08
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl	REAL300017544122	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	REAL300017544123	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	REAL300017544124	0	38	-1.0	-42.83	336.85	5.42	-37.41
CCN(C(C)C(=O)[O-])S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017544125	0	45	-1.0	-59.72	379.88	3.93	-55.79
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017544126	0	34	-1.0	-58.44	297.03	5.30	-53.14
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544127	0	44	-1.0	-50.16	370.87	6.30	-43.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017544128	0	31	-1.0	-47.66	290.75	5.84	-41.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300017544129	0	41	-1.0	-46.13	338.68	5.39	-40.74
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300017544130	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	REAL300017544131	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	REAL300017544132	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	REAL300017544133	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	REAL300017544134	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	REAL300017544135	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	REAL300017544136	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	REAL300017544137	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	REAL300017544138	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	REAL300017544139	0	42	-1.0	-52.98	347.28	3.92	-49.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C(C)=C1	REAL300017544140	0	45	-1.0	-58.17	365.71	5.60	-52.57
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544141	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	REAL300017544142	0	46	-1.0	-56.25	366.93	4.82	-51.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300017544143	0	41	-1.0	-65.89	330.51	5.03	-60.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1Br	REAL300017544144	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	REAL300017544145	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	REAL300017544146	0	37	-1.0	-66.91	316.68	7.15	-59.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017544147	0	32	-1.0	-48.30	299.04	5.30	-43.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300017544148	0	34	-1.0	-50.31	291.83	5.80	-44.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300017544149	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	REAL300017544150	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	REAL300017544151	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	REAL300017544152	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	REAL300017544153	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	REAL300017544154	0	47	-1.0	-52.39	374.26	6.18	-46.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017544155	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	REAL300017544156	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	REAL300017544157	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	REAL300017544158	0	34	-1.0	-43.43	305.46	3.39	-40.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017544159	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	REAL300017544160	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	REAL300017544161	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	REAL300017544162	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	REAL300017544163	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	REAL300017544164	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	REAL300017544165	0	41	-1.0	-60.58	357.92	4.94	-55.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1C	REAL300017544166	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-]	REAL300017544167	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	REAL300017544168	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	REAL300017544169	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-]	REAL300017544170	0	33	-1.0	-51.27	304.44	6.72	-44.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300017544171	0	39	-1.0	-53.80	316.81	6.62	-47.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017544172	0	34	-1.0	-52.62	301.41	5.48	-47.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300017544173	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	REAL300017544174	0	34	-1.0	-50.48	287.26	5.69	-44.79
CCOC(=O)C1CCCN1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300017544175	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	REAL300017544176	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	REAL300017544177	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	REAL300017544178	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	REAL300017544179	0	40	-1.0	-60.20	342.95	5.93	-54.27
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC(C(=O)OC)CC1	REAL300017544180	0	42	-1.0	-47.75	336.38	4.32	-43.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017544181	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	REAL300017544182	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	REAL300017544183	0	37	-1.0	-43.42	327.33	4.31	-39.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1	REAL300017544184	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	REAL300017544185	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	REAL300017544186	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	REAL300017544187	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-]	REAL300017544188	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-]	REAL300017544189	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	REAL300017544190	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	REAL300017544191	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	REAL300017544192	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	REAL300017544193	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	REAL300017544194	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	REAL300017544195	0	39	-1.0	-49.61	326.47	3.70	-45.91
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017544196	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	REAL300017544197	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	REAL300017544198	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-]	REAL300017544199	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-]	REAL300017544200	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-]	REAL300017544201	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	REAL300017544202	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	REAL300017544203	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-]	REAL300017544204	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	REAL300017544205	0	45	-1.0	-51.97	373.56	7.70	-44.27
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300017544206	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	REAL300017544207	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	REAL300017544208	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	REAL300017544209	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	REAL300017544210	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	REAL300017544211	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	REAL300017544212	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	REAL300017544213	0	39	-1.0	-57.11	339.25	1.06	-56.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300017544214	0	46	-1.0	-57.55	384.77	3.62	-53.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300017544215	0	37	-1.0	-65.97	332.82	2.57	-63.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(=O)OC)=C1	REAL300017544216	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	REAL300017544217	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-]	REAL300017544218	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	REAL300017544219	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	REAL300017544220	0	38	-1.0	-56.56	327.86	5.87	-50.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017544221	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	REAL300017544222	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	REAL300017544223	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	REAL300017544224	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-]	REAL300017544225	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	REAL300017544226	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	REAL300017544227	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	REAL300017544228	0	41	-1.0	-44.57	342.13	4.92	-39.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)OC)S1	REAL300017544229	0	37	-1.0	-62.32	329.53	5.97	-56.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CS1	REAL300017544230	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	REAL300017544231	0	43	-1.0	-55.06	342.71	6.39	-48.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(=O)OC)=C1	REAL300017544232	0	37	-1.0	-42.13	333.24	5.62	-36.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1	REAL300017544233	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	REAL300017544234	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	REAL300017544235	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	REAL300017544236	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	REAL300017544237	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	REAL300017544238	0	35	-1.0	-48.40	318.70	5.89	-42.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017544239	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	REAL300017544240	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	REAL300017544241	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	REAL300017544242	0	36	-1.0	-58.55	313.55	4.58	-53.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300017544243	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	REAL300017544244	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	REAL300017544245	0	43	-1.0	-52.17	354.38	6.15	-46.02
CCCCCCN1C=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(=O)NC1=O	REAL300017544246	0	49	-1.0	-55.13	399.65	5.43	-49.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1	REAL300017544247	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	REAL300017544248	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	REAL300017544249	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	REAL300017544250	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	REAL300017544251	0	36	-1.0	-39.90	317.56	6.03	-33.87
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300017544252	0	28	-1.0	-41.78	269.49	3.24	-38.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300017544253	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	REAL300017544254	0	28	-1.0	-38.74	283.84	4.52	-34.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017544255	0	34	-1.0	-55.07	312.62	6.25	-48.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017544256	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	REAL300017544257	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	REAL300017544258	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	REAL300017544259	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	REAL300017544260	0	37	-1.0	-47.70	309.83	6.99	-40.71
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300017544261	0	42	-1.0	-58.17	365.02	4.25	-53.92
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CN1C	REAL300017544262	0	41	-1.0	-62.35	344.30	6.38	-55.97
CCOC(=O)C1CC2=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC=C2O1	REAL300017544263	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	REAL300017544264	0	37	-1.0	-54.89	327.95	2.03	-52.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300017544265	0	40	-1.0	-67.76	340.96	4.74	-63.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300017544266	0	44	-1.0	-56.62	368.84	5.95	-50.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1	REAL300017544267	0	37	-1.0	-53.57	316.68	6.42	-47.15
CCN(C(C)C(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017544268	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	REAL300017544269	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	REAL300017544270	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	REAL300017544271	0	36	-1.0	-36.81	307.84	5.89	-30.92
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300017544272	0	35	-1.0	-42.59	321.13	6.05	-36.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300017544273	0	34	-1.0	-63.41	294.34	4.99	-58.42
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017544274	0	43	-1.0	-57.19	362.62	7.97	-49.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(N(C)C)=CC=C1Br	REAL300017544275	0	39	-1.0	-44.26	321.94	5.20	-39.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1	REAL300017544276	0	36	-1.0	-53.34	327.66	4.69	-48.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC	REAL300017544277	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-]	REAL300017544278	0	43	-1.0	-49.20	335.46	4.92	-44.28
CCC1=NOC2=NC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C12	REAL300017544279	0	38	-1.0	-42.75	326.30	2.22	-40.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300017544280	0	36	-1.0	-50.25	316.72	5.92	-44.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017544281	0	37	-1.0	-55.26	327.75	8.22	-47.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C(=O)OC	REAL300017544282	0	37	-1.0	-60.47	309.40	6.11	-54.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017544283	0	34	-1.0	-74.81	286.06	4.72	-70.09
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017544284	0	34	-1.0	-40.59	322.52	6.40	-34.19
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC	REAL300017544285	1	46	-1.0	-54.67	375.52	1.98	-52.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300017544286	0	39	-1.0	-51.74	333.98	2.75	-48.99
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017544287	0	30	-1.0	-44.78	281.73	3.60	-41.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1CCCCC1C(=O)OC	REAL300017544288	0	43	-1.0	-44.95	330.24	5.91	-39.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1	REAL300017544289	0	44	-1.0	-58.52	358.00	7.96	-50.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300017544290	0	38	-1.0	-51.13	311.70	4.64	-46.49
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300017544291	0	35	-1.0	-49.14	323.64	5.99	-43.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017544292	0	37	-1.0	-48.44	332.27	2.70	-45.74
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1OC	REAL300017544293	0	35	-1.0	-38.27	314.50	4.92	-33.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017544294	0	40	-1.0	-61.97	327.49	7.94	-54.03
CCC1=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300017544295	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	REAL300017544296	0	48	-1.0	-57.60	373.79	6.29	-51.31
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300017544297	0	38	-1.0	-43.30	305.06	4.18	-39.12
CCN(C(C)C(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017544298	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	REAL300017544299	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	REAL300017544300	0	42	-1.0	-59.87	355.10	5.95	-53.92
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC	REAL300017544301	0	39	-1.0	-57.39	329.31	6.68	-50.71
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1	REAL300017544302	0	41	-1.0	-67.71	319.40	5.43	-62.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017544303	0	40	-1.0	-58.60	326.16	6.08	-52.52
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300017544304	0	46	-1.0	-42.16	375.57	5.61	-36.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017544305	0	34	-1.0	-61.35	305.22	3.64	-57.71
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300017544306	0	35	-1.0	-42.65	300.81	3.90	-38.75
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300017544307	0	42	-1.0	-46.40	345.86	4.75	-41.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300017544308	0	45	-1.0	-41.67	368.62	5.54	-36.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017544309	0	45	-1.0	-41.46	369.27	7.65	-33.81
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017544310	0	31	-1.0	-40.13	300.05	5.33	-34.80
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC=C2O1	REAL300017544311	0	46	-1.0	-55.18	390.48	7.41	-47.77
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544312	0	43	-1.0	-42.87	351.59	6.64	-36.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017544313	0	31	-1.0	-42.12	290.10	5.36	-36.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300017544314	0	31	-1.0	-46.85	292.65	4.82	-42.03
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1F	REAL300017544315	0	35	-1.0	-43.50	291.09	4.01	-39.49
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300017544316	0	39	-1.0	-55.94	315.76	7.37	-48.57
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017544317	0	37	-1.0	-53.74	323.85	6.28	-47.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300017544318	0	41	-1.0	-44.50	341.58	7.16	-37.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C=C1	REAL300017544319	0	39	-1.0	-53.51	329.43	2.68	-50.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300017544320	0	39	-1.0	-57.99	310.81	5.70	-52.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017544321	0	37	-1.0	-56.69	305.33	5.83	-50.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017544323	0	34	-1.0	-55.81	291.86	6.19	-49.62
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017544324	0	34	-1.0	-41.97	315.25	5.95	-36.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017544325	0	34	-1.0	-38.96	300.01	5.73	-33.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300017544326	0	34	-1.0	-42.46	307.82	5.79	-36.67
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300017544327	0	42	-1.0	-61.08	334.32	3.18	-57.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300017544328	0	35	-1.0	-54.15	292.19	5.38	-48.77
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1	REAL300017544329	0	38	-1.0	-50.71	341.07	4.22	-46.49
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300017544330	0	42	-1.0	-72.81	337.55	4.08	-68.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017544331	0	43	-1.0	-61.59	350.35	4.15	-57.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300017544332	0	37	-1.0	-51.15	343.30	2.61	-48.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1	REAL300017544333	0	37	-1.0	-44.01	328.58	5.33	-38.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300017544334	0	41	-1.0	-57.97	357.85	4.06	-53.91
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017544335	0	42	-1.0	-61.28	359.52	7.18	-54.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300017544336	0	41	-1.0	-45.91	338.36	5.40	-40.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1C	REAL300017544337	0	34	-1.0	-37.97	296.86	5.41	-32.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300017544338	0	39	-1.0	-54.47	313.23	7.26	-47.21
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017544339	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	REAL300017544340	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	REAL300017544341	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	REAL300017544342	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	REAL300017544343	0	36	-1.0	-49.36	313.40	4.68	-44.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300017544344	0	35	-1.0	-53.17	301.32	4.16	-49.01
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(C)=C1	REAL300017544345	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	REAL300017544346	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	REAL300017544347	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	REAL300017544348	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	REAL300017544349	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	REAL300017544350	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	REAL300017544351	0	37	-1.0	-45.11	316.85	4.01	-41.10
CCC(=O)NC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300017544352	0	41	-1.0	-56.24	339.21	4.20	-52.04
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017544353	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-]	REAL300017544354	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	REAL300017544355	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	REAL300017544356	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	REAL300017544357	0	36	-1.0	-43.64	289.14	4.54	-39.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017544358	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	REAL300017544359	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	REAL300017544360	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	REAL300017544361	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	REAL300017544362	0	39	-1.0	-47.61	332.25	4.32	-43.29
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017544363	0	34	-1.0	-41.63	315.24	5.91	-35.72
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1CCCN1C(=O)OCC1=CC=CC=C1	REAL300017544364	0	52	-1.0	-55.72	419.59	7.53	-48.19
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300017544365	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	REAL300017544366	0	40	-1.0	-53.93	343.85	7.27	-46.66
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300017544367	0	38	-1.0	-58.44	315.75	5.08	-53.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017544368	0	33	-1.0	-39.52	297.65	5.46	-34.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1	REAL300017544369	0	40	-1.0	-51.66	357.87	5.59	-46.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(=O)OC	REAL300017544370	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	REAL300017544371	0	34	-1.0	-55.29	299.46	5.62	-49.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017544372	0	43	-1.0	-56.35	361.70	3.01	-53.34
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017544373	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	REAL300017544374	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	REAL300017544375	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	REAL300017544376	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	REAL300017544412	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	REAL300017544413	0	39	-1.0	-69.54	317.98	5.91	-63.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017544414	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-]	REAL300017544415	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	REAL300017544416	0	34	-1.0	-55.20	312.79	6.06	-49.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017544417	0	32	-1.0	-47.75	290.38	5.35	-42.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300017544418	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	REAL300017544419	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	REAL300017544420	0	35	-1.0	-41.25	313.58	4.67	-36.58
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300017544421	0	43	-1.0	-44.49	315.83	7.40	-37.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300017544422	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	REAL300017544423	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	REAL300017544424	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	REAL300017544425	0	42	-1.0	-51.24	368.32	7.82	-43.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017544426	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	REAL300017544427	0	37	-1.0	-44.34	349.08	5.80	-38.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300017544428	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	REAL300017544429	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	REAL300017544430	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	REAL300017544431	0	43	-1.0	-49.42	341.15	5.07	-44.35
CCOC(=O)N1CCC(S(=O)(=O)N(CC)C(C)C(=O)[O-])CC1	REAL300017544432	0	45	-1.0	-45.15	353.18	4.25	-40.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300017544433	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	REAL300017544434	0	30	-1.0	-50.03	294.04	3.78	-46.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017544435	0	34	-1.0	-47.53	291.16	3.17	-44.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017544436	0	39	-1.0	-52.14	316.54	5.12	-47.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300017544437	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	REAL300017544438	0	40	-1.0	-50.69	340.31	7.21	-43.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300017544439	0	52	-1.0	-45.57	413.10	7.29	-38.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1CCCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017544440	0	52	-1.0	-53.21	418.33	7.51	-45.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)OC)C=C1	REAL300017544441	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	REAL300017544442	0	41	-1.0	-52.37	345.79	6.33	-46.04
CCN(C(C)C(=O)[O-])S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017544443	0	49	-1.0	-59.74	405.51	7.17	-52.57
CCN(C(C)C(=O)[O-])S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017544444	0	49	-1.0	-60.79	397.92	6.47	-54.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017544445	0	46	-1.0	-59.72	383.76	6.74	-52.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300017544446	0	33	-1.0	-50.61	302.95	4.97	-45.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300017544447	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)=C1Br	REAL300017544448	0	31	-1.0	-46.05	286.28	5.33	-40.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017544449	0	31	-1.0	-39.63	302.05	5.66	-33.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300017544450	0	41	-1.0	-56.42	320.44	6.04	-50.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300017544451	0	37	-1.0	-42.98	325.24	5.26	-37.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300017544452	0	35	-1.0	-41.40	302.78	4.71	-36.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1C	REAL300017544453	0	38	-1.0	-41.94	300.27	4.14	-37.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017544454	0	32	-1.0	-48.15	303.33	5.39	-42.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300017544455	0	38	-1.0	-39.76	317.28	4.69	-35.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1	REAL300017544456	0	37	-1.0	-48.25	335.11	5.21	-43.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1	REAL300017544457	0	38	-1.0	-50.55	327.05	3.50	-47.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300017544458	0	39	-1.0	-42.85	330.48	4.06	-38.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017544459	0	35	-1.0	-44.52	311.40	4.22	-40.30
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017544460	0	34	-1.0	-42.08	310.25	5.64	-36.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300017544461	0	42	-1.0	-60.07	360.04	1.99	-58.08
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC=C2S1	REAL300017544462	0	43	-1.0	-55.06	373.72	8.34	-46.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1Br	REAL300017544463	0	35	-1.0	-49.22	302.57	4.37	-44.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017544464	0	36	-1.0	-63.01	324.06	0.35	-62.66
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300017544465	0	37	-1.0	-51.44	297.00	3.85	-47.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300017544466	0	37	-1.0	-42.95	332.69	5.75	-37.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300017544467	0	37	-1.0	-51.66	307.15	5.50	-46.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017544468	0	31	-1.0	-45.40	284.93	5.45	-39.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300017544469	0	37	-1.0	-52.65	293.79	6.52	-46.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017544470	0	31	-1.0	-40.20	286.21	5.31	-34.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2	REAL300017544471	0	41	-1.0	-43.62	338.12	1.51	-42.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017544472	0	32	-1.0	-45.80	281.53	3.43	-42.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017544473	0	31	-1.0	-49.02	287.30	5.13	-43.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300017544474	0	41	-1.0	-45.70	347.15	5.23	-40.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017544475	0	35	-1.0	-50.49	317.18	1.88	-48.61
CCOC1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544476	0	38	-1.0	-57.15	311.98	5.57	-51.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017544477	0	42	-1.0	-55.71	334.63	6.06	-49.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017544478	0	35	-1.0	-42.92	322.59	5.76	-37.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017544519	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	REAL300017544520	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	REAL300017544521	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	REAL300017544522	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	REAL300017544523	0	45	-1.0	-40.69	380.27	7.08	-33.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Br	REAL300017544524	0	34	-1.0	-44.41	295.05	5.63	-38.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300017544525	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	REAL300017544526	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	REAL300017544527	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	REAL300017544528	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	REAL300017544529	0	41	-1.0	-63.13	340.72	4.34	-58.79
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017544530	0	36	-1.0	-48.70	312.43	4.67	-44.03
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017544531	0	37	-1.0	-48.88	298.79	2.19	-46.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017544532	0	43	-1.0	-52.53	336.55	4.97	-47.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017544533	0	33	-1.0	-51.45	302.03	3.98	-47.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300017544534	0	34	-1.0	-44.36	293.17	5.50	-38.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300017544535	0	39	-1.0	-59.62	316.94	5.09	-54.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300017544536	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	REAL300017544537	0	37	-1.0	-53.47	314.21	3.55	-49.92
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017544538	0	30	-1.0	-51.81	288.12	4.46	-47.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017544539	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	REAL300017544540	0	39	-1.0	-59.74	326.27	3.34	-56.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017544541	0	32	-1.0	-43.26	284.25	5.03	-38.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017544542	0	37	-1.0	-64.75	308.58	6.70	-58.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300017544543	0	39	-1.0	-60.77	311.52	5.97	-54.80
CCC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1CC	REAL300017544544	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	REAL300017544545	0	39	-1.0	-50.71	317.40	7.18	-43.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300017544546	0	34	-1.0	-47.06	286.80	5.28	-41.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)OC(C(=O)OC)=C1	REAL300017544547	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	REAL300017544548	0	32	-1.0	-38.53	282.84	2.31	-36.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017544549	0	37	-1.0	-65.47	306.57	5.79	-59.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSN=C1C(=O)OC	REAL300017544550	0	33	-1.0	-60.39	294.95	3.17	-57.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300017544551	0	33	-1.0	-63.68	305.09	3.15	-60.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300017544552	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	REAL300017544553	0	39	-1.0	-64.74	326.53	3.14	-61.60
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017544554	0	42	-1.0	-56.56	322.28	3.27	-53.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)OC)=C1	REAL300017544555	0	38	-1.0	-63.00	321.41	5.40	-57.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300017544556	0	42	-1.0	-51.62	345.44	6.33	-45.29
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017544557	0	34	-1.0	-58.12	310.19	5.80	-52.32
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017544558	0	34	-1.0	-59.66	307.89	6.75	-52.91
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017544559	0	31	-1.0	-55.08	276.38	5.29	-49.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(OC)=C1	REAL300017544560	0	34	-1.0	-49.61	300.57	3.24	-46.37
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017544561	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(=O)OC)N=C1	REAL300017544562	0	36	-1.0	-53.49	318.03	3.57	-49.92
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017544563	0	30	-1.0	-43.57	279.46	3.80	-39.77
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300017544564	0	38	-1.0	-52.49	317.38	4.16	-48.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300017544565	0	36	-1.0	-43.37	304.76	5.13	-38.24
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1	REAL300017544566	0	37	-1.0	-43.18	336.61	5.67	-37.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017544567	0	34	-1.0	-48.79	299.94	2.45	-46.34
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=N1	REAL300017544568	0	37	-1.0	-54.96	316.33	2.36	-52.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017544569	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	REAL300017544570	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	REAL300017544571	0	45	-1.0	-58.82	356.64	6.09	-52.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017544572	0	34	-1.0	-53.14	283.74	3.36	-49.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300017544573	0	37	-1.0	-49.79	309.52	6.17	-43.62
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544574	0	48	-1.0	-54.39	402.69	4.29	-50.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300017544575	0	41	-1.0	-49.01	346.76	1.71	-47.30
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1	REAL300017544576	0	48	-1.0	-56.58	375.42	6.40	-50.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1	REAL300017544577	0	40	-1.0	-53.05	345.53	6.82	-46.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300017544578	0	40	-1.0	-43.86	328.22	6.68	-37.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017544579	0	34	-1.0	-44.80	290.61	5.28	-39.52
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017544580	0	34	-1.0	-58.55	297.37	7.06	-51.49
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1	REAL300017544581	0	45	-1.0	-62.79	372.21	3.57	-59.22
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544582	0	44	-1.0	-44.19	363.98	5.84	-38.35
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC=C1C	REAL300017544583	0	43	-1.0	-50.69	355.53	6.60	-44.09
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544584	0	43	-1.0	-63.27	359.50	7.71	-55.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC	REAL300017544585	0	42	-1.0	-55.08	356.30	4.40	-50.68
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C(F)C=C1C	REAL300017544586	0	43	-1.0	-43.33	359.22	6.58	-36.75
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017544587	0	37	-1.0	-43.24	327.31	6.62	-36.62
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544588	0	40	-1.0	-45.38	342.32	5.90	-39.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017544589	0	41	-1.0	-59.96	333.85	8.76	-51.20
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300017544590	0	45	-1.0	-53.43	381.98	2.28	-51.15
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300017544591	0	34	-1.0	-54.97	302.66	5.74	-49.23
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CN1C	REAL300017544592	0	43	-1.0	-60.49	362.24	6.53	-53.96
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017544593	0	35	-1.0	-54.79	311.10	5.45	-49.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017544594	0	34	-1.0	-51.13	295.02	5.35	-45.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300017544595	0	33	-1.0	-49.26	282.96	3.80	-45.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300017544596	0	34	-1.0	-55.98	300.87	3.99	-51.99
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017544597	0	32	-1.0	-50.53	290.33	3.55	-46.98
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544598	0	44	-1.0	-64.87	352.60	6.17	-58.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1F	REAL300017544599	0	37	-1.0	-41.71	316.33	5.37	-36.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC	REAL300017544600	0	42	-1.0	-46.39	354.83	3.95	-42.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1	REAL300017544601	0	46	-1.0	-47.34	378.58	7.43	-39.91
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300017544602	0	43	-1.0	-55.59	366.50	3.70	-51.89
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCC1	REAL300017544603	0	43	-1.0	-48.50	333.85	6.26	-42.24
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300017544604	0	38	-1.0	-49.95	335.46	4.84	-45.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300017544605	0	37	-1.0	-53.55	322.16	6.54	-47.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017544606	0	42	-1.0	-55.12	365.64	8.70	-46.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)OC)=C1	REAL300017544607	0	40	-1.0	-63.66	336.61	6.77	-56.89
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017544608	0	37	-1.0	-55.64	325.84	6.48	-49.16
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCC1	REAL300017544609	0	40	-1.0	-66.17	324.97	5.30	-60.87
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017544610	0	31	-1.0	-52.67	292.68	5.56	-47.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(I)=C1	REAL300017544611	0	34	-1.0	-44.69	311.27	6.22	-38.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1	REAL300017544612	0	44	-1.0	-59.24	377.14	5.10	-54.14
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544613	0	47	-1.0	-53.07	395.37	5.90	-47.17
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCCC1	REAL300017544614	0	46	-1.0	-61.00	345.79	6.63	-54.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F	REAL300017544615	0	39	-1.0	-62.56	336.74	5.72	-56.84
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017544616	0	33	-1.0	-58.30	287.22	3.30	-55.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300017544617	0	44	-1.0	-60.27	367.11	8.57	-51.70
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017544618	0	34	-1.0	-59.95	314.96	7.14	-52.81
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017544619	0	34	-1.0	-61.03	304.59	6.68	-54.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Br)C=CC(OC)=C1F	REAL300017544620	0	35	-1.0	-49.56	305.67	4.66	-44.90
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=C(C)C=C(C#N)C=C1C	REAL300017544621	0	41	-1.0	-60.20	340.98	7.19	-53.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017544622	0	35	-1.0	-47.97	308.50	6.62	-41.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300017544624	0	35	-1.0	-39.96	294.42	-0.27	-40.23
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017544628	0	40	-1.0	-64.58	324.16	6.22	-58.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)F	REAL300017544629	0	31	-1.0	-54.78	272.92	4.37	-50.41
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017544630	0	37	-1.0	-44.32	316.54	6.10	-38.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300017544631	0	47	-1.0	-49.71	380.05	7.36	-42.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017544632	0	36	-1.0	-52.15	292.93	4.74	-47.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O	REAL300017544633	0	51	-1.0	-58.63	389.28	6.93	-51.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CN1C	REAL300017544634	0	38	-1.0	-58.80	318.00	5.43	-53.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017544635	0	45	-1.0	-58.37	362.51	4.77	-53.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017544636	0	46	-1.0	-69.00	373.58	7.15	-61.85
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C21	REAL300017544637	0	45	-1.0	-57.64	365.93	6.44	-51.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1	REAL300017544638	0	46	-1.0	-54.56	390.55	9.26	-45.30
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017544639	0	38	-1.0	-50.30	313.56	4.29	-46.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300017544640	0	38	-1.0	-47.70	310.21	4.85	-42.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017544641	0	41	-1.0	-47.38	327.63	5.58	-41.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017544649	0	37	-1.0	-55.16	327.20	6.23	-48.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017544650	0	37	-1.0	-55.98	310.34	2.55	-53.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Br)C=CO1	REAL300017544651	0	28	-1.0	-45.40	264.27	3.19	-42.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300017544652	0	38	-1.0	-49.83	305.32	4.55	-45.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300017544653	0	35	-1.0	-46.63	309.55	4.16	-42.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C=C1F	REAL300017544654	0	35	-1.0	-42.72	301.45	3.70	-39.02
CCCCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1C(C)C	REAL300017544655	0	56	-1.0	-56.08	435.12	9.97	-46.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300017544656	0	47	-1.0	-46.60	364.21	6.50	-40.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300017544657	0	41	-1.0	-40.57	329.62	5.62	-34.95
CCOCCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1C(C)C	REAL300017544658	0	54	-1.0	-58.31	426.10	7.83	-50.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300017544659	0	39	-1.0	-50.39	314.12	5.60	-44.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300017544660	0	39	-1.0	-53.76	329.14	5.01	-48.75
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300017544661	0	39	-1.0	-58.50	328.91	7.56	-50.94
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300017544662	0	35	-1.0	-46.43	304.14	5.19	-41.24
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)SC(C)=C1Br	REAL300017544663	0	34	-1.0	-51.55	301.35	5.72	-45.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(C)C=C1Br	REAL300017544664	0	34	-1.0	-57.78	308.83	6.60	-51.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C	REAL300017544665	0	48	-1.0	-65.44	375.72	6.71	-58.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017544666	0	37	-1.0	-46.71	310.90	5.02	-41.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C	REAL300017544667	0	45	-1.0	-56.62	364.73	6.13	-50.49
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=NN1C	REAL300017544668	0	31	-1.0	-42.80	284.38	2.64	-40.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017544669	0	33	-1.0	-51.70	301.62	4.18	-47.52
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300017544670	0	36	-1.0	-57.33	306.60	4.20	-53.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017544671	0	35	-1.0	-47.86	316.24	4.87	-42.99
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017544672	0	34	-1.0	-57.16	306.14	6.18	-50.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017544673	0	35	-1.0	-47.02	315.88	4.98	-42.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017544674	0	34	-1.0	-67.93	305.87	5.03	-62.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300017544675	0	38	-1.0	-45.61	306.86	4.22	-41.39
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300017544676	0	40	-1.0	-41.56	309.98	6.61	-34.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300017544677	0	39	-1.0	-49.22	318.81	4.50	-44.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017544678	0	40	-1.0	-63.83	327.94	2.55	-61.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300017544679	0	32	-1.0	-39.15	306.44	5.48	-33.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC(OC)=C1OC	REAL300017544680	0	39	-1.0	-50.10	327.34	4.92	-45.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1	REAL300017544681	0	34	-1.0	-47.51	321.44	3.84	-43.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(I)S1	REAL300017544682	0	28	-1.0	-53.21	281.73	5.62	-47.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300017544683	0	44	-1.0	-55.74	346.59	5.26	-50.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300017544684	0	35	-1.0	-47.82	309.89	6.38	-41.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300017544686	0	38	-1.0	-53.57	309.16	4.13	-49.44
CCN(C(=O)CC1=C(Cl)C=CC=C1Cl)C(C)C(=O)[O-]	REAL300017544687	0	33	-1.0	-49.11	294.79	8.41	-40.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017544688	0	35	-1.0	-52.98	301.55	4.01	-48.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017544689	0	35	-1.0	-52.02	316.05	5.00	-47.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017544690	0	34	-1.0	-63.17	296.52	3.92	-59.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300017544691	0	36	-1.0	-50.59	301.49	3.49	-47.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300017544693	0	37	-1.0	-39.05	310.37	6.03	-33.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017544694	0	37	-1.0	-40.62	334.20	5.73	-34.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017544695	0	34	-1.0	-50.24	289.87	4.87	-45.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300017544696	0	41	-1.0	-50.79	326.20	4.84	-45.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300017544697	0	49	-1.0	-60.40	368.46	9.15	-51.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017544698	0	37	-1.0	-54.52	338.16	6.56	-47.96
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017544699	0	41	-1.0	-59.28	341.28	5.40	-53.88
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017544700	0	35	-1.0	-53.96	299.27	5.68	-48.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017544701	0	42	-1.0	-41.98	351.55	7.07	-34.91
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300017544702	0	44	-1.0	-59.00	352.64	2.89	-56.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300017544703	0	40	-1.0	-68.02	326.56	5.65	-62.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=NN1C	REAL300017544704	0	37	-1.0	-47.78	318.61	2.86	-44.92
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300017544705	0	32	-1.0	-49.92	283.19	4.58	-45.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300017544706	0	38	-1.0	-47.75	310.35	4.16	-43.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017544707	0	35	-1.0	-45.44	320.11	5.94	-39.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1	REAL300017544708	0	43	-1.0	-57.95	361.23	8.24	-49.71
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300017544709	0	40	-1.0	-56.42	349.71	7.95	-48.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300017544710	0	40	-1.0	-56.56	317.49	4.62	-51.94
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300017544711	0	40	-1.0	-52.64	327.94	4.20	-48.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300017544712	0	38	-1.0	-49.49	303.04	3.51	-45.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300017544713	0	36	-1.0	-46.37	313.27	4.21	-42.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017544714	0	34	-1.0	-41.56	304.93	5.51	-36.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017544715	0	31	-1.0	-61.52	292.37	5.13	-56.39
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017544716	0	31	-1.0	-47.47	294.30	4.55	-42.92
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC(F)(F)CC1	REAL300017544717	0	36	-1.0	-39.28	293.52	3.86	-35.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017544718	0	34	-1.0	-41.83	316.99	5.94	-35.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017544719	0	34	-1.0	-63.31	278.60	5.65	-57.66
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544720	0	42	-1.0	-62.24	344.22	7.37	-54.87
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017544721	0	42	-1.0	-53.37	327.81	7.40	-45.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300017544722	0	41	-1.0	-55.15	345.35	6.19	-48.96
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017544723	0	37	-1.0	-43.08	328.12	5.65	-37.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300017544724	0	36	-1.0	-39.06	316.54	4.88	-34.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1	REAL300017544725	0	41	-1.0	-49.29	358.50	5.19	-44.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017544726	0	40	-1.0	-65.80	340.77	5.08	-60.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017544727	0	31	-1.0	-63.22	290.26	5.29	-57.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017544728	0	34	-1.0	-58.44	287.03	6.61	-51.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(C)S1	REAL300017544729	0	37	-1.0	-49.44	329.83	4.96	-44.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017544730	0	38	-1.0	-44.85	310.82	6.81	-38.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300017544731	0	33	-1.0	-47.57	318.04	4.85	-42.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017544732	0	41	-1.0	-48.07	327.84	5.54	-42.53
CCC(C)N1N=CC=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300017544733	0	40	-1.0	-47.63	321.26	4.34	-43.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)NC)C=C1	REAL300017544734	0	40	-1.0	-56.85	333.46	2.00	-54.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300017544735	0	34	-1.0	-60.72	314.18	1.85	-58.87
CCN(C(C)C(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300017544736	0	45	-1.0	-51.85	330.82	5.45	-46.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C=C1OC	REAL300017544737	0	35	-1.0	-38.24	298.76	4.31	-33.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300017544738	0	45	-1.0	-55.42	355.95	3.52	-51.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300017544739	0	37	-1.0	-55.82	320.94	6.56	-49.26
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017544740	0	35	-1.0	-56.21	298.90	4.90	-51.31
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017544741	0	46	-1.0	-57.87	354.11	7.86	-50.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300017544742	0	42	-1.0	-56.33	332.85	6.72	-49.61
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017544743	0	39	-1.0	-44.37	319.20	4.60	-39.77
CCOCC1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544744	0	41	-1.0	-58.56	336.59	6.02	-52.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300017544745	0	34	-1.0	-51.30	322.94	6.62	-44.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300017544748	0	41	-1.0	-47.85	342.05	5.72	-42.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017544749	0	44	-1.0	-49.74	350.04	5.56	-44.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017544750	0	42	-1.0	-55.01	348.92	8.18	-46.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300017544751	0	37	-1.0	-43.28	322.80	6.25	-37.03
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)N(CC)N=C1	REAL300017544752	0	34	-1.0	-45.37	296.94	3.44	-41.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017544753	0	35	-1.0	-47.95	312.48	6.72	-41.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1	REAL300017544754	0	37	-1.0	-55.13	352.38	5.97	-49.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017544755	0	31	-1.0	-56.43	296.84	5.63	-50.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017544756	0	33	-1.0	-37.88	296.85	3.94	-33.94
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017544757	0	36	-1.0	-61.26	316.52	5.57	-55.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017544758	0	36	-1.0	-49.58	306.13	5.10	-44.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300017544759	0	40	-1.0	-46.15	310.87	7.03	-39.12
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(OC)C=CC(Br)=C1F	REAL300017544760	0	35	-1.0	-50.76	317.43	5.65	-45.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017544761	0	38	-1.0	-53.94	320.77	4.85	-49.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300017544762	0	45	-1.0	-52.27	367.47	6.00	-46.27
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017544763	0	31	-1.0	-45.41	285.96	4.80	-40.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1	REAL300017544764	0	37	-1.0	-58.93	327.03	0.80	-58.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300017544765	0	41	-1.0	-59.11	340.61	5.73	-53.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017544766	0	37	-1.0	-54.82	337.17	1.96	-52.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017544767	0	35	-1.0	-51.65	303.75	5.85	-45.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017544768	0	35	-1.0	-42.82	319.12	6.39	-36.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017544769	0	35	-1.0	-51.00	318.62	6.40	-44.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017544770	0	35	-1.0	-56.73	305.35	6.75	-49.98
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCCCC1C(=O)OC	REAL300017544771	0	42	-1.0	-44.22	320.95	5.14	-39.08
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300017544772	0	53	-1.0	-52.35	391.90	8.60	-43.75
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300017544773	0	34	-1.0	-52.23	306.09	6.17	-46.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300017544774	0	42	-1.0	-51.72	340.94	5.62	-46.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C=CC(=O)OC)C=C1	REAL300017544775	0	41	-1.0	-54.22	349.51	6.38	-47.84
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=NN1	REAL300017544776	0	37	-1.0	-45.57	325.48	2.31	-43.26
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300017544777	0	36	-1.0	-61.19	308.65	3.32	-57.87
CCN(C(C)C(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017544778	0	43	-1.0	-57.07	317.93	5.73	-51.34
CCN(C(C)C(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300017544779	0	42	-1.0	-43.45	343.48	6.35	-37.10
CCN(C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300017544780	0	42	-1.0	-52.85	320.87	10.52	-42.33
CCN(C(=O)N1CCC(CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300017544781	0	48	-1.0	-51.33	350.48	10.00	-41.33
CCN(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C(=O)[O-]	REAL300017544782	0	49	-1.0	-51.25	352.33	6.54	-44.71
CCN(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)C(C)C(=O)[O-]	REAL300017544783	0	50	-1.0	-51.96	369.92	7.72	-44.24
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC(Br)=C1OC	REAL300017544784	0	35	-1.0	-46.13	316.21	5.71	-40.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017544785	0	35	-1.0	-41.62	309.92	5.25	-36.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017544786	0	35	-1.0	-53.35	307.79	4.07	-49.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300017544787	0	37	-1.0	-54.39	296.98	5.06	-49.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300017544788	0	38	-1.0	-50.17	318.82	6.28	-43.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017544789	0	34	-1.0	-40.79	292.79	5.77	-35.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017544790	0	40	-1.0	-42.86	344.80	5.08	-37.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017544791	0	28	-1.0	-50.87	292.36	4.84	-46.03
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300017544792	0	44	-1.0	-48.11	356.15	6.94	-41.17
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C	REAL300017544793	0	48	-1.0	-45.68	384.26	6.49	-39.19
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017544794	0	34	-1.0	-48.49	322.17	6.01	-42.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017544795	0	36	-1.0	-52.56	315.28	5.12	-47.44
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC[C@H]1C(=O)OC	REAL300017544796	0	39	-1.0	-59.86	317.38	4.41	-55.45
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(I)C=CS1	REAL300017544797	0	28	-1.0	-51.64	275.94	4.47	-47.17
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017544798	0	42	-1.0	-59.51	349.38	8.17	-51.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300017544799	0	37	-1.0	-65.07	295.38	6.19	-58.88
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017544800	0	36	-1.0	-51.76	318.54	3.19	-48.57
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017544801	0	32	-1.0	-43.15	298.23	3.92	-39.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300017544802	0	33	-1.0	-47.59	283.04	3.49	-44.10
C=C(C)COC1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544803	0	42	-1.0	-57.40	344.31	6.99	-50.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300017544804	0	41	-1.0	-53.42	330.25	4.92	-48.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300017544805	0	35	-1.0	-60.88	301.13	4.03	-56.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017544806	0	37	-1.0	-55.58	323.20	8.11	-47.47
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC(OC(C)=O)C1	REAL300017544807	0	39	-1.0	-45.76	324.88	3.69	-42.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017544808	0	41	-1.0	-49.72	354.58	8.54	-41.18
CCC1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC=C1Br	REAL300017544809	0	37	-1.0	-54.33	326.76	6.90	-47.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300017544810	0	44	-1.0	-45.83	348.65	5.63	-40.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300017544811	0	45	-1.0	-44.34	364.10	4.75	-39.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017544812	0	37	-1.0	-46.69	315.02	7.13	-39.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300017544813	0	39	-1.0	-45.73	304.50	2.19	-43.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300017544814	0	37	-1.0	-50.57	328.50	4.44	-46.13
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC(COC(C)=O)CC1	REAL300017544815	0	45	-1.0	-61.01	354.16	6.01	-55.00
CCN(C(C)C(=O)[O-])S(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC	REAL300017544816	0	45	-1.0	-48.58	376.89	5.10	-43.48
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017544817	0	41	-1.0	-53.54	321.48	2.12	-51.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)N=C1C	REAL300017544818	0	37	-1.0	-50.52	297.86	1.81	-48.71
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300017544819	0	37	-1.0	-47.70	307.94	2.53	-45.17
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017544820	0	46	-1.0	-56.01	362.14	5.72	-50.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300017544821	0	34	-1.0	-42.81	303.24	2.38	-40.43
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300017544822	0	37	-1.0	-48.75	310.19	1.86	-46.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300017544823	0	40	-1.0	-55.68	330.25	4.90	-50.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300017544824	0	40	-1.0	-50.12	322.30	4.15	-45.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017544825	0	30	-1.0	-48.36	292.40	2.49	-45.87
CCN(C(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017544826	0	35	-1.0	-42.31	327.97	6.63	-35.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1	REAL300017544827	0	39	-1.0	-48.10	329.09	3.75	-44.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300017544828	0	34	-1.0	-70.28	294.34	7.14	-63.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300017544829	0	38	-1.0	-47.12	309.28	4.62	-42.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017544830	0	38	-1.0	-55.47	322.09	6.34	-49.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300017544831	0	40	-1.0	-53.55	321.90	4.22	-49.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017544832	0	38	-1.0	-57.90	320.01	7.52	-50.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017544833	0	33	-1.0	-54.70	295.07	4.05	-50.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300017544834	0	45	-1.0	-45.76	375.12	8.15	-37.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017544835	0	38	-1.0	-60.03	328.82	6.97	-53.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017544836	0	35	-1.0	-47.69	311.68	4.76	-42.93
CCN(C(=O)N1CC=C(Br)CC1)C(C)C(=O)[O-]	REAL300017544837	0	33	-1.0	-48.19	263.42	6.69	-41.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017544838	0	34	-1.0	-46.42	297.93	5.18	-41.24
CCN(C(C)C(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300017544839	0	39	-1.0	-49.09	323.91	0.43	-48.66
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017544841	0	38	-1.0	-53.62	308.44	6.53	-47.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl	REAL300017544842	0	34	-1.0	-47.00	302.00	5.77	-41.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017544843	0	35	-1.0	-39.82	307.59	4.50	-35.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017544844	0	38	-1.0	-50.78	325.10	5.34	-45.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300017544845	0	38	-1.0	-54.51	308.49	4.78	-49.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300017544846	0	37	-1.0	-41.67	324.91	2.80	-38.87
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300017544847	0	39	-1.0	-52.06	315.46	5.88	-46.18
CCN(C(=O)N1CC(OCC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300017544848	0	43	-1.0	-52.56	339.23	7.86	-44.70
CCN(C(=O)N1CC(NC(=O)OC(C)(C)C)C1)C(C)C(=O)[O-]	REAL300017544849	0	46	-1.0	-52.97	350.36	4.53	-48.44
CCN(C(=O)N1CCC(COC(C)=O)CC1)C(C)C(=O)[O-]	REAL300017544850	0	44	-1.0	-54.09	329.92	7.47	-46.62
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300017544851	0	34	-1.0	-50.59	293.76	4.14	-46.45
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300017544853	0	44	-1.0	-44.09	345.20	6.05	-38.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300017544854	0	31	-1.0	-36.65	280.17	4.65	-32.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017544855	0	38	-1.0	-47.71	332.04	5.15	-42.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2CCCCN2N=C1	REAL300017544856	0	38	-1.0	-57.84	307.13	3.83	-54.01
CCN1C=C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300017544857	0	46	-1.0	-53.65	408.74	3.78	-49.87
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=C1	REAL300017544858	0	42	-1.0	-61.17	379.99	3.55	-57.62
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300017544859	0	45	-1.0	-51.80	395.97	4.08	-47.72
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)C=C1	REAL300017544860	0	42	-1.0	-53.36	379.93	3.56	-49.80
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)S1	REAL300017544861	0	42	-1.0	-50.02	395.29	3.52	-46.50
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CO)C(=O)OCC1=CC=CC=C1	REAL300017544862	0	45	-1.0	-53.70	395.96	4.51	-49.19
O=C([O-])C1=CSC(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=C1	REAL300017544863	0	39	-1.0	-55.53	373.83	2.60	-52.93
CN1C=C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300017544864	0	43	-1.0	-59.94	387.32	2.91	-57.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=C1	REAL300017544865	0	42	-1.0	-49.96	389.54	3.26	-46.70
CC1=C(C(=O)[O-])C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=C(C)O1	REAL300017544866	0	45	-1.0	-51.11	393.80	3.91	-47.20
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](CO)C(=O)OCC1=CC=CC=C1	REAL300017544867	0	45	-1.0	-56.98	390.04	4.35	-52.63
CC1=CC(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300017544868	0	45	-1.0	-53.07	395.99	4.10	-48.97
CC1=C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300017544869	0	42	-1.0	-53.16	390.31	3.56	-49.60
O=C([O-])C1=CC(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=CS1	REAL300017544870	0	39	-1.0	-58.72	371.90	2.60	-56.12
CC1=C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300017544871	0	42	-1.0	-52.95	386.18	2.69	-50.26
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CO)C(=O)OCC1=CC=CC=C1	REAL300017544872	0	45	-1.0	-52.58	395.94	4.50	-48.08
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=C1	REAL300017544873	0	42	-1.0	-47.85	386.39	3.62	-44.23
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)C=C1F	REAL300017544874	0	42	-1.0	-54.50	384.49	3.59	-50.91
O=C([O-])C1=CC(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=CC=C1O	REAL300017544875	0	43	-1.0	-53.87	388.75	1.60	-52.27
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=C1	REAL300017544876	0	42	-1.0	-48.87	386.89	3.64	-45.23
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)C=C1	REAL300017544877	0	45	-1.0	-52.88	402.14	4.34	-48.54
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)C(F)=C1	REAL300017544878	0	42	-1.0	-50.99	386.87	3.66	-47.33
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)S1	REAL300017544879	0	39	-1.0	-49.99	372.70	2.70	-47.29
O=C([O-])CC1=CC=CC(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=C1	REAL300017544880	0	45	-1.0	-57.75	402.17	4.33	-53.42
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=C1F	REAL300017544881	0	42	-1.0	-63.88	385.05	3.61	-60.27
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=C1	REAL300017544882	1	43	-1.0	-52.23	390.73	1.36	-50.87
O=C([O-])C1=CC=NC(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=C1	REAL300017544883	0	41	-1.0	-49.14	376.17	1.67	-47.47
CC1=C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)C(C(=O)[O-])=NN1	REAL300017544884	0	42	-1.0	-54.78	371.53	1.34	-53.44
CCC1=C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)C=C(C(=O)[O-])O1	REAL300017544885	0	45	-1.0	-52.47	405.77	3.50	-48.97
CCCN1C2=CC=CC=C2N(CC)C1=NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017544886	0	47	-1.0	-59.87	389.27	12.33	-47.54
CCCN1C2=CC=CC=C2N(CC)C1=NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017544887	0	47	-1.0	-55.08	389.70	12.46	-42.62
CCCN1C2=CC=CC=C2N(CC)C1=NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017544888	0	44	-1.0	-58.24	385.37	11.34	-46.90
CCCN1C2=CC=CC=C2N(CC)C1=NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017544889	0	48	-1.0	-60.12	397.03	11.77	-48.35
CCCN1C2=CC=CC=C2N(CC)C1=NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017544890	0	44	-1.0	-58.58	382.03	11.45	-47.13
CCCN1C2=CC=CC=C2N(CC)C1=NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300017544891	0	47	-1.0	-59.58	393.02	11.62	-47.96
CCCN1C2=CC=CC=C2N(CC)C1=NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017544892	0	44	-1.0	-55.59	384.46	11.45	-44.14
CCCN1C2=CC=CC=C2N(CC)C1=NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017544893	0	46	-1.0	-58.74	388.40	10.43	-48.31
CCCN1C2=CC=CC=C2N(CC)C1=NS(=O)(=O)C1=C(C)NN=C1C(=O)[O-]	REAL300017544894	0	47	-1.0	-71.15	385.12	10.10	-61.05
CCN1C=C(S(=O)(=O)NCC(F)(F)C2(OC)CCCCC2)C=C1C(=O)[O-]	REAL300017544895	0	49	-1.0	-52.47	393.87	5.27	-47.20
COC1(C(F)(F)CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCCCC1	REAL300017544896	0	45	-1.0	-52.48	365.88	5.06	-47.42
COC1(C(F)(F)CNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CCCCC1	REAL300017544897	0	48	-1.0	-50.34	381.85	5.60	-44.74
COC1(C(F)(F)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCCCC1	REAL300017544898	0	45	-1.0	-47.75	365.81	5.10	-42.65
COC1(C(F)(F)CNS(=O)(=O)C2=CC=C(CC(=O)[O-])S2)CCCCC1	REAL300017544899	0	45	-1.0	-46.69	380.45	5.01	-41.68
COC1(C(F)(F)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)CCCCC1	REAL300017544900	0	48	-1.0	-53.29	380.77	6.00	-47.29
COC1(C(F)(F)CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)CCCCC1	REAL300017544901	0	42	-1.0	-48.83	359.03	4.11	-44.72
COC1(C(F)(F)CNS(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)CCCCC1	REAL300017544902	0	46	-1.0	-51.68	372.51	4.41	-47.27
COC1(C(F)(F)CNS(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)CCCCC1	REAL300017544903	0	45	-1.0	-46.01	375.01	4.75	-41.26
COC1(C(F)(F)CNS(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])CCCCC1	REAL300017544904	0	48	-1.0	-52.97	380.25	5.47	-47.50
COC1(C(F)(F)CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)CCCCC1	REAL300017544905	0	48	-1.0	-48.18	374.52	5.67	-42.51
COC1(C(F)(F)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)CCCCC1	REAL300017544906	0	48	-1.0	-46.75	382.51	5.66	-41.09
COC1(C(F)(F)CNS(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)CCCCC1	REAL300017544907	0	45	-1.0	-52.10	375.94	4.98	-47.12
COC1(C(F)(F)CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)CCCCC1	REAL300017544908	0	42	-1.0	-50.89	357.58	4.12	-46.77
COC1(C(F)(F)CNS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)CCCCC1	REAL300017544909	0	45	-1.0	-50.62	368.77	4.17	-46.45
COC1(C(F)(F)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)CCCCC1	REAL300017544910	0	48	-1.0	-48.00	380.75	6.00	-42.00
COC1(C(F)(F)CNS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)CCCCC1	REAL300017544911	0	45	-1.0	-46.50	372.27	5.13	-41.37
COC1(C(F)(F)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)CCCCC1	REAL300017544912	0	45	-1.0	-49.00	370.40	5.10	-43.90
COC1(C(F)(F)CNS(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)CCCCC1	REAL300017544913	0	46	-1.0	-52.01	374.66	3.12	-48.89
COC1(C(F)(F)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CCCCC1	REAL300017544914	0	45	-1.0	-47.46	364.07	4.86	-42.60
COC1(C(F)(F)CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)CCCCC1	REAL300017544915	0	48	-1.0	-47.97	388.00	5.88	-42.09
COC1(C(F)(F)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)CCCCC1	REAL300017544916	0	45	-1.0	-43.79	364.04	4.87	-38.92
COC1(C(F)(F)CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)CCCCC1	REAL300017544917	0	42	-1.0	-45.83	358.12	4.19	-41.64
COC1(C(F)(F)CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CCCCC1	REAL300017544918	0	48	-1.0	-51.40	388.09	5.87	-45.53
COC1(C(F)(F)CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)CCCCC1	REAL300017544919	0	45	-1.0	-51.87	362.20	4.82	-47.05
COC1(C(F)(F)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)CCCCC1	REAL300017544920	1	46	-1.0	-50.08	375.56	2.84	-47.24
COC1(C(F)(F)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CCCCC1	REAL300017544921	0	44	-1.0	-46.10	362.06	3.22	-42.88
COC1(C(F)(F)CNS(=O)(=O)C2=C(C)NN=C2C(=O)[O-])CCCCC1	REAL300017544922	0	45	-1.0	-59.52	358.77	3.00	-56.52
CCC1=C(S(=O)(=O)NCC(F)(F)C2(OC)CCCCC2)C=C(C(=O)[O-])O1	REAL300017544923	0	48	-1.0	-49.53	384.51	4.84	-44.69
CCN1C=C(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)C=C1C(=O)[O-]	REAL300017544924	0	42	-1.0	-60.28	349.32	4.04	-56.24
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C	REAL300017544925	0	47	-1.0	-59.78	373.76	6.02	-53.76
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017544926	0	48	-1.0	-63.42	371.67	6.45	-56.97
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017544927	0	45	-1.0	-58.42	356.49	5.49	-52.93
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017544928	0	38	-1.0	-53.53	322.85	3.83	-49.70
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017544929	0	38	-1.0	-55.29	331.34	4.16	-51.13
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017544930	0	38	-1.0	-61.15	320.89	3.80	-57.35
CC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)C=C1C(=O)[O-]	REAL300017544931	0	41	-1.0	-62.66	338.49	4.42	-58.24
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017544932	0	38	-1.0	-55.88	318.82	3.77	-52.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)=C1C	REAL300017544933	0	44	-1.0	-61.39	342.16	4.57	-56.82
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017544934	0	38	-1.0	-52.47	333.00	3.72	-48.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C	REAL300017544935	0	41	-1.0	-59.36	326.01	4.43	-54.93
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017544936	0	35	-1.0	-51.30	312.44	2.76	-48.54
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C	REAL300017544937	0	44	-1.0	-51.11	349.92	5.48	-45.63
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017544938	0	39	-1.0	-60.72	325.08	3.13	-57.59
CC1=C(C(=O)[O-])SC(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)=C1	REAL300017544939	0	38	-1.0	-52.45	330.22	3.50	-48.95
CC1=C(C(=O)[O-])C(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)=C(C)O1	REAL300017544940	0	41	-1.0	-57.30	329.92	3.99	-53.31
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017544941	0	38	-1.0	-54.07	327.86	3.84	-50.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C	REAL300017544942	0	41	-1.0	-54.25	320.58	4.35	-49.90
CCC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)C=C1C(=O)[O-]	REAL300017544943	0	44	-1.0	-56.76	352.75	4.96	-51.80
CC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)=CC=C1C(=O)[O-]	REAL300017544944	0	41	-1.0	-57.05	340.93	4.45	-52.60
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017544945	0	38	-1.0	-51.35	327.25	3.93	-47.42
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017544946	0	41	-1.0	-53.15	350.18	4.63	-48.52
CC1=C(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)C=C(C(=O)[O-])S1	REAL300017544947	0	38	-1.0	-60.05	321.24	3.27	-56.78
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C	REAL300017544948	0	41	-1.0	-50.20	333.60	4.27	-45.93
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017544949	0	38	-1.0	-54.47	335.08	4.25	-50.22
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017544950	0	45	-1.0	-49.04	378.34	2.42	-46.62
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C	REAL300017544951	0	46	-1.0	-59.44	374.51	4.90	-54.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C	REAL300017544952	0	45	-1.0	-59.49	364.95	4.38	-55.11
COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)C=C1CC(=O)[O-]	REAL300017544953	0	45	-1.0	-63.81	368.89	3.90	-59.91
CC1=CC(C)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)C=C1C(=O)[O-]	REAL300017544954	0	44	-1.0	-59.24	341.80	4.91	-54.33
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C	REAL300017544955	0	42	-1.0	-61.65	333.84	2.05	-59.60
COC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)=CC(C(=O)[O-])=C1OC	REAL300017544956	0	46	-1.0	-55.23	377.57	3.54	-51.69
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017544957	0	49	-1.0	-49.36	397.33	4.88	-44.48
CCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)C=C1C(=O)[O-]	REAL300017544958	0	45	-1.0	-67.51	367.56	4.75	-62.76
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017544959	0	35	-1.0	-52.35	319.07	3.07	-49.28
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017544960	0	35	-1.0	-55.92	312.13	2.85	-53.07
CC1=C(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)C=C(C(=O)[O-])O1	REAL300017544961	0	38	-1.0	-57.95	314.42	2.98	-54.97
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017544962	0	44	-1.0	-57.61	361.42	3.50	-54.11
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017544963	0	48	-1.0	-56.35	398.18	5.02	-51.33
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017544964	0	42	-1.0	-53.52	367.58	4.63	-48.89
CC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)=CC=C1OCC(=O)[O-]	REAL300017544965	0	45	-1.0	-53.83	369.17	4.78	-49.05
CC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)=CC=C1OCCCC(=O)[O-]	REAL300017544966	0	51	-1.0	-53.97	411.63	5.71	-48.26
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017544967	0	38	-1.0	-47.48	347.33	4.58	-42.90
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017544968	0	38	-1.0	-48.56	340.11	4.47	-44.09
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017544969	0	35	-1.0	-49.07	331.94	3.59	-45.48
CC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)C(C)=C1C(=O)[O-]	REAL300017544970	0	44	-1.0	-60.10	343.05	4.64	-55.46
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C	REAL300017544971	0	41	-1.0	-55.44	324.95	4.01	-51.43
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017544972	0	38	-1.0	-52.03	342.91	4.38	-47.65
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017544973	0	38	-1.0	-51.64	328.03	3.83	-47.81
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017544974	0	38	-1.0	-51.10	323.23	3.80	-47.30
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017544975	0	38	-1.0	-56.81	324.99	3.86	-52.95
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C	REAL300017544976	0	41	-1.0	-52.88	340.80	4.61	-48.27
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017544977	0	38	-1.0	-50.12	339.96	4.26	-45.86
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017544978	0	38	-1.0	-47.16	337.61	4.17	-42.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)=C1F	REAL300017544979	0	41	-1.0	-54.87	341.95	4.28	-50.59
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017544980	0	38	-1.0	-50.68	335.78	4.35	-46.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C	REAL300017544981	0	42	-1.0	-60.77	340.88	3.53	-57.24
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017544982	0	39	-1.0	-58.32	326.81	1.85	-56.47
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017544983	0	42	-1.0	-55.12	351.94	5.11	-50.01
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017544984	0	38	-1.0	-53.11	326.86	3.95	-49.16
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017544985	0	44	-1.0	-51.98	365.45	5.43	-46.55
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017544986	0	38	-1.0	-52.93	322.24	3.66	-49.27
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017544987	0	41	-1.0	-52.90	344.05	4.62	-48.28
COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)C=C1C(=O)[O-]	REAL300017544988	0	42	-1.0	-66.86	345.31	3.85	-63.01
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017544989	0	42	-1.0	-53.58	351.56	4.10	-49.48
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017544990	0	42	-1.0	-55.16	357.36	4.17	-50.99
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017544991	0	38	-1.0	-51.50	321.22	3.66	-47.84
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017544992	0	38	-1.0	-53.37	332.96	4.21	-49.16
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)=C1	REAL300017544993	0	41	-1.0	-59.67	340.87	4.29	-55.38
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017544994	0	46	-1.0	-52.25	385.69	5.30	-46.95
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017544995	0	38	-1.0	-44.27	327.66	3.72	-40.55
CC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)=CC(C(=O)[O-])=C1C	REAL300017544996	0	44	-1.0	-53.81	352.72	4.82	-48.99
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017544997	0	40	-1.0	-48.42	349.81	4.43	-43.99
COC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)=C(Cl)C=C1C(=O)[O-]	REAL300017544998	0	42	-1.0	-54.92	350.67	4.03	-50.89
C[C@@H](C(=O)N(C)C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017544999	0	38	-1.0	-52.54	336.70	4.31	-48.23
CC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)=CC(C(=O)[O-])=C1F	REAL300017545000	0	41	-1.0	-60.25	346.15	4.40	-55.85
CC1=CC=C(CS(=O)(=O)NCCCOCC(=O)[O-])C=C1F	REAL300017548553	0	38	-1.0	-55.59	341.98	4.38	-51.21
N#CCC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548554	0	36	-1.0	-58.04	333.75	4.13	-53.91
COC(=O)C1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC(F)=C1F	REAL300017548555	0	38	-1.0	-53.63	357.12	3.70	-49.93
O=C([O-])COCCCNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017548556	0	44	-1.0	-55.20	375.88	4.40	-50.80
O=C([O-])COCCCNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017548557	0	50	-1.0	-50.53	378.63	4.63	-45.90
CC1=NC2=C(S(=O)(=O)NCCCOCC(=O)[O-])C=CC=C2C=C1	REAL300017548558	0	40	-1.0	-56.63	344.72	4.63	-52.00
O=C([O-])COCCCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017548559	0	40	-1.0	-59.43	356.42	4.85	-54.58
O=C([O-])COCCCNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017548560	0	43	-1.0	-53.63	368.65	1.50	-52.13
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548561	0	46	-1.0	-54.66	405.76	4.10	-50.56
CCCN1C=NC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548562	0	38	-1.0	-56.15	338.82	3.70	-52.45
N#CC1=CC(F)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1Br	REAL300017548563	0	33	-1.0	-50.70	330.19	3.60	-47.10
N#CC1=C(S(=O)(=O)NCCCOCC(=O)[O-])C=CS1	REAL300017548564	0	30	-1.0	-53.64	291.72	1.80	-51.84
O=C([O-])COCCCNS(=O)(=O)CC1CCC(F)CC1	REAL300017548565	0	41	-1.0	-53.90	338.97	4.12	-49.78
CC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1Cl	REAL300017548566	0	35	-1.0	-50.48	326.97	4.05	-46.43
O=C([O-])COCCCNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017548567	0	38	-1.0	-57.56	339.61	3.94	-53.62
CC1=CSC(C2=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C2)=N1	REAL300017548568	0	41	-1.0	-53.20	377.74	4.43	-48.77
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1F	REAL300017548569	0	38	-1.0	-53.45	359.39	3.82	-49.63
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548570	0	41	-1.0	-54.32	364.78	3.98	-50.34
CC1=C(Br)C=CC=C1CS(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548571	0	38	-1.0	-54.31	347.69	4.83	-49.48
O=C([O-])COCCCNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017548572	0	35	-1.0	-53.53	335.13	4.18	-49.35
O=C([O-])COCCCNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017548573	0	32	-1.0	-49.45	329.52	4.09	-45.36
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548574	0	39	-1.0	-58.75	347.43	0.39	-58.36
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548575	0	47	-1.0	-55.24	401.36	5.30	-49.94
CCC1CCN(S(=O)(=O)NCCCOCC(=O)[O-])CC1	REAL300017548576	0	43	-1.0	-50.85	348.64	3.41	-47.44
O=C([O-])COCCCNS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017548577	0	38	-1.0	-54.64	343.17	4.53	-50.11
O=C([O-])COCCCNS(=O)(=O)CCC1=CC=CC=C1F	REAL300017548578	0	38	-1.0	-54.72	342.32	4.50	-50.22
O=C([O-])COCCCNS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017548579	0	38	-1.0	-53.78	349.44	4.82	-48.96
COC1=CC2=C(C=C1S(=O)(=O)NCCCOCC(=O)[O-])C(=O)NCCC2	REAL300017548580	0	47	-1.0	-60.17	388.13	1.87	-58.30
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCCCOCC(=O)[O-])S2)C1	REAL300017548581	0	43	-1.0	-56.52	381.84	3.42	-53.10
CC1=C(S(=O)(=O)NCCCOCC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017548582	0	39	-1.0	-53.23	361.74	5.24	-47.99
COC1CCN(S(=O)(=O)NCCCOCC(=O)[O-])CC1	REAL300017548583	0	41	-1.0	-51.57	340.13	1.05	-50.52
O=C([O-])COCCCNS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017548584	0	35	-1.0	-53.10	338.35	4.30	-48.80
CCC(C)OC1=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548585	0	45	-1.0	-52.91	381.53	4.62	-48.29
CC(CC(F)(F)F)CS(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548586	0	37	-1.0	-55.59	326.75	3.18	-52.41
O=C([O-])COCCCNS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017548587	0	39	-1.0	-56.25	357.73	4.76	-51.49
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCCCOCC(=O)[O-])=C2)=N1	REAL300017548588	0	44	-1.0	-55.08	384.20	2.96	-52.12
COC1=CC(F)=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548589	0	36	-1.0	-51.65	318.42	2.85	-48.80
COC(=O)C1=C(C)C=C(S(=O)(=O)NCCCOCC(=O)[O-])O1	REAL300017548590	0	38	-1.0	-52.91	348.93	2.33	-50.58
CCC1=NC(S(=O)(=O)NCCCOCC(=O)[O-])=CN1CC1CC1	REAL300017548591	0	45	-1.0	-55.38	383.59	4.88	-50.50
CC(=O)N1CC2=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C2C1	REAL300017548592	0	43	-1.0	-58.63	374.94	3.42	-55.21
O=C([O-])COCCCNS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017548593	0	35	-1.0	-51.51	331.24	2.46	-49.05
O=C([O-])COCCCNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017548594	0	35	-1.0	-59.30	340.96	2.76	-56.54
CCCOC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(C)C	REAL300017548595	0	51	-1.0	-51.27	422.96	6.01	-45.26
CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017548596	0	40	-1.0	-53.75	354.63	5.42	-48.33
CN1N=CC(C2CC2)=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548597	0	39	-1.0	-50.99	338.06	2.84	-48.15
O=C([O-])COCCCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017548598	0	45	-1.0	-51.87	392.46	5.28	-46.59
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017548599	0	46	-1.0	-54.59	408.98	6.31	-48.28
COC(CS(=O)(=O)NCCCOCC(=O)[O-])C1=CC=C(F)C=C1	REAL300017548600	0	42	-1.0	-54.90	373.31	4.07	-50.83
O=C([O-])COCCCNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017548601	0	44	-1.0	-55.79	375.56	4.39	-51.40
COC(=O)NC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1Cl	REAL300017548602	0	40	-1.0	-52.93	373.40	1.86	-51.07
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCCCOCC(=O)[O-])C=CC=C12	REAL300017548603	0	44	-1.0	-54.04	382.57	5.82	-48.22
COC(=O)NC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C	REAL300017548604	0	43	-1.0	-55.32	377.21	2.15	-53.17
O=C([O-])COCCCNS(=O)(=O)CC1(C(F)F)CCCC1	REAL300017548605	0	41	-1.0	-51.99	337.88	4.30	-47.69
CCOC1(CS(=O)(=O)NCCCOCC(=O)[O-])CCOCC1	REAL300017548606	0	46	-1.0	-54.73	369.09	1.70	-53.03
CCOC(CS(=O)(=O)NCCCOCC(=O)[O-])C1CC1	REAL300017548607	0	42	-1.0	-53.77	355.58	3.27	-50.50
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1F	REAL300017548608	0	38	-1.0	-53.57	349.06	3.38	-50.19
CC(=O)N1CCC2=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C(Cl)C=C21	REAL300017548609	0	43	-1.0	-59.94	372.06	4.03	-55.91
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548610	0	35	-1.0	-51.11	333.11	1.57	-49.54
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017548611	0	43	-1.0	-53.02	392.13	7.06	-45.96
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548612	0	35	-1.0	-50.35	333.28	4.52	-45.83
CC1=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1Br	REAL300017548613	0	35	-1.0	-52.06	326.16	4.27	-47.79
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548614	0	38	-1.0	-57.39	350.23	4.09	-53.30
O=C([O-])COCCCNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017548615	0	40	-1.0	-53.63	349.54	0.70	-52.93
COC1=CC(Br)=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548616	0	36	-1.0	-51.19	342.29	2.88	-48.31
COC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017548617	0	38	-1.0	-54.65	347.02	3.70	-50.95
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548618	0	38	-1.0	-51.51	346.12	4.77	-46.74
COCCN1C=C(S(=O)(=O)NCCCOCC(=O)[O-])C=N1	REAL300017548619	0	39	-1.0	-54.03	351.24	0.57	-53.46
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548620	0	45	-1.0	-53.11	382.60	4.46	-48.65
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017548621	0	39	-1.0	-56.29	355.87	3.50	-52.79
O=C([O-])COCCCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017548622	0	40	-1.0	-58.61	364.97	5.13	-53.48
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017548623	0	32	-1.0	-50.93	318.51	3.62	-47.31
O=C([O-])COCCCNS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017548624	0	35	-1.0	-54.86	326.98	3.77	-51.09
O=C([O-])COCCCNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017548625	0	39	-1.0	-64.83	356.12	0.82	-64.01
CCN1C(=O)OC2=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C21	REAL300017548626	0	41	-1.0	-57.01	367.43	3.92	-53.09
CC1=C(Br)C=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548627	0	35	-1.0	-50.62	324.94	4.25	-46.37
COCC1=CC=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548628	0	39	-1.0	-51.38	338.03	3.08	-48.30
COC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1Br	REAL300017548629	0	36	-1.0	-51.35	341.43	2.93	-48.42
CS(=O)(=O)C1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C(Cl)S1	REAL300017548630	0	35	-1.0	-56.89	349.73	-0.35	-57.24
O=C([O-])COCCCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017548631	0	35	-1.0	-57.26	335.45	2.01	-55.25
CC1(C)CC2=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C2O1	REAL300017548632	0	43	-1.0	-52.19	368.96	4.21	-47.98
CCC1=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548633	0	38	-1.0	-51.54	334.39	4.39	-47.15
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1F	REAL300017548634	0	40	-1.0	-56.92	370.46	-0.27	-57.19
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1F	REAL300017548635	0	43	-1.0	-55.94	391.92	0.63	-55.31
CCC(=O)NCC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1OC	REAL300017548636	0	49	-1.0	-57.57	422.41	2.12	-55.45
CCC1=CC=C(CS(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548637	0	41	-1.0	-54.41	358.14	5.11	-49.30
COC1=CC=C(Br)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548638	0	36	-1.0	-52.38	337.44	3.00	-49.38
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CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548640	0	41	-1.0	-59.20	373.67	1.38	-57.82
O=C([O-])COCCCNS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017548641	0	34	-1.0	-51.67	339.77	2.87	-48.80
CC(=O)C1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1Br	REAL300017548642	0	37	-1.0	-53.50	350.57	4.07	-49.43
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548643	0	37	-1.0	-57.49	334.35	3.42	-54.07
N#CC1=CC(Br)=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548644	0	33	-1.0	-51.89	333.62	3.96	-47.93
CCOC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1Br	REAL300017548645	0	39	-1.0	-52.39	363.27	3.85	-48.54
O=C([O-])COCCCNS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017548646	0	46	-1.0	-59.41	408.74	2.39	-57.02
O=C([O-])COCCCNS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017548647	0	35	-1.0	-55.92	325.89	3.74	-52.18
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548648	0	45	-1.0	-51.99	402.43	4.58	-47.41
CC1(C)CN(S(=O)(=O)NCCCOCC(=O)[O-])CCO1	REAL300017548649	0	41	-1.0	-50.87	337.66	1.16	-49.71
COC1=C(C)C=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C	REAL300017548650	0	42	-1.0	-51.75	365.07	3.84	-47.91
CC(C)CCOC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548651	0	48	-1.0	-51.45	403.42	5.29	-46.16
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017548652	0	46	-1.0	-51.44	386.14	5.18	-46.26
CC(C)COC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548653	0	45	-1.0	-51.58	384.46	4.68	-46.90
CCCOC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548654	0	42	-1.0	-51.65	364.36	3.98	-47.67
COC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1Cl	REAL300017548655	0	36	-1.0	-52.74	337.02	2.82	-49.92
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017548656	0	36	-1.0	-52.99	346.78	3.09	-49.90
COC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C	REAL300017548657	0	39	-1.0	-52.12	341.07	3.00	-49.12
CC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1OC(C)C	REAL300017548658	0	45	-1.0	-51.72	380.86	4.55	-47.17
COC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C(C)=C1	REAL300017548659	0	39	-1.0	-51.83	335.66	3.16	-48.67
COCCOC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548660	0	43	-1.0	-54.09	376.48	2.45	-51.64
COCCOC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C	REAL300017548661	0	46	-1.0	-53.93	396.55	3.19	-50.74
O=C([O-])COCCCNS(=O)(=O)CC1=CC=CC=C1F	REAL300017548662	0	35	-1.0	-55.95	320.56	3.70	-52.25
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548663	0	43	-1.0	-59.27	382.25	2.62	-56.65
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017548664	0	47	-1.0	-56.18	397.61	2.46	-53.72
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548665	0	42	-1.0	-59.79	363.32	2.81	-56.98
CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C(Br)=C1	REAL300017548666	0	35	-1.0	-51.61	329.38	4.36	-47.25
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548667	0	38	-1.0	-58.80	353.87	0.53	-58.27
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548668	0	38	-1.0	-53.92	352.43	4.96	-48.96
N#CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1Cl	REAL300017548669	0	33	-1.0	-53.09	327.71	3.76	-49.33
CC1=CC(Br)=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548670	0	35	-1.0	-49.93	327.49	4.47	-45.46
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCCOCC(=O)[O-])=C1C	REAL300017548671	0	40	-1.0	-57.46	342.68	5.69	-51.77
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548672	0	38	-1.0	-54.20	347.88	3.66	-50.54
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548673	0	41	-1.0	-59.56	366.93	1.37	-58.19
N#CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C(C(F)(F)F)=C1	REAL300017548674	0	36	-1.0	-53.49	337.10	4.93	-48.56
N#CC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1Cl	REAL300017548675	0	33	-1.0	-53.14	327.73	3.76	-49.38
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548676	0	48	-1.0	-55.87	403.72	4.73	-51.14
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017548677	0	44	-1.0	-56.31	400.50	0.81	-55.50
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548678	0	40	-1.0	-56.80	368.10	-0.87	-57.67
CC(=O)NCCC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])S1	REAL300017548679	0	42	-1.0	-59.10	387.59	1.89	-57.21
COC(=O)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])O1	REAL300017548680	0	35	-1.0	-53.03	331.04	1.75	-51.28
CC1=NC(C)=C(S(=O)(=O)NCCCOCC(=O)[O-])S1	REAL300017548681	0	34	-1.0	-51.38	316.73	1.52	-49.86
O=C([O-])COCCCNS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017548682	1	34	-1.0	-58.75	313.32	4.33	-54.42
O=C([O-])COCCCNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017548683	0	35	-1.0	-54.08	348.73	4.67	-49.41
CCOC(=O)C1=C(C)C(S(=O)(=O)NCCCOCC(=O)[O-])=C(C)N1	REAL300017548684	0	45	-1.0	-54.42	387.50	3.63	-50.79
O=C([O-])COCCCNS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017548685	0	32	-1.0	-53.18	308.34	3.78	-49.40
CC1=NC(C2=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])S2)=CS1	REAL300017548686	0	38	-1.0	-52.98	370.94	3.52	-49.46
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017548687	0	52	-1.0	-51.40	426.06	6.58	-44.82
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017548688	0	42	-1.0	-57.52	388.76	2.53	-54.99
COC(=O)C1=CC=C(C)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548689	0	41	-1.0	-55.60	361.79	4.40	-51.20
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017548690	0	34	-1.0	-54.15	325.74	4.96	-49.19
COC1=CC(F)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1OC	REAL300017548691	0	40	-1.0	-52.79	348.44	1.91	-50.88
COC1=CC(C)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1OC	REAL300017548692	0	43	-1.0	-53.52	364.96	3.07	-50.45
O=C([O-])COCCCNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017548693	1	34	-1.0	-52.22	340.01	5.69	-46.53
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548694	0	40	-1.0	-56.19	345.06	4.73	-51.46
O=C([O-])COCCCNS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017548695	0	35	-1.0	-55.89	331.02	3.86	-52.03
CN1C=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(N)=O	REAL300017548696	0	37	-1.0	-56.38	333.45	-0.89	-57.27
CC1=CC(Cl)=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548697	0	35	-1.0	-50.03	322.92	4.36	-45.67
CCOC(=O)C1CCCN1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548698	0	43	-1.0	-54.22	366.90	3.35	-50.87
CNC(=O)C1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CN1C	REAL300017548699	0	40	-1.0	-56.44	355.39	0.60	-55.84
COC1=CC(C)=C(S(=O)(=O)NCCCOCC(=O)[O-])C(C)=C1	REAL300017548700	0	42	-1.0	-51.03	347.06	3.73	-47.30
O=C([O-])COCCCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017548701	0	40	-1.0	-55.09	352.95	2.19	-52.90
COC(=O)C1=CC=C(CS(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548702	0	41	-1.0	-57.77	370.06	4.34	-53.43
COC(=O)C1CCN(S(=O)(=O)NCCCOCC(=O)[O-])CC1	REAL300017548703	0	43	-1.0	-54.85	362.35	2.66	-52.19
O=C([O-])COCCCNS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017548704	0	43	-1.0	-55.02	367.00	3.09	-51.93
COC(=O)C1=CC=CC(CS(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548705	0	41	-1.0	-59.41	370.07	4.33	-55.08
CCOC(=O)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])O1	REAL300017548706	0	38	-1.0	-52.86	352.90	2.67	-50.19
COC(=O)CCOC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548707	0	45	-1.0	-54.81	398.32	4.03	-50.78
COC1=CC(C)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C	REAL300017548708	0	42	-1.0	-51.78	356.61	3.78	-48.00
O=C([O-])COCCCNS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017548709	0	36	-1.0	-59.67	329.85	3.33	-56.34
CCOC(=O)CCCS(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548710	0	40	-1.0	-59.45	354.16	3.17	-56.28
O=C([O-])COCCCNS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017548711	0	35	-1.0	-53.42	329.21	5.10	-48.32
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017548712	0	34	-1.0	-53.93	330.31	5.06	-48.87
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548713	0	37	-1.0	-58.12	325.16	5.30	-52.82
O=C([O-])COCCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017548714	0	34	-1.0	-50.96	336.19	4.36	-46.60
O=C([O-])COCCCNS(=O)(=O)C1=C(Br)C=CS1	REAL300017548715	0	29	-1.0	-51.78	299.65	2.37	-49.41
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017548716	0	36	-1.0	-55.24	329.32	3.32	-51.92
CC1=C(S(=O)(=O)NCCCOCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300017548717	0	40	-1.0	-52.54	337.43	4.14	-48.40
O=C([O-])COCCCNS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017548718	0	34	-1.0	-56.87	326.96	2.31	-54.56
O=C([O-])COCCCNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017548719	0	40	-1.0	-55.09	349.55	1.89	-53.20
O=C([O-])COCCCNS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017548720	0	31	-1.0	-49.57	309.70	1.74	-47.83
O=C([O-])COCCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017548721	0	34	-1.0	-51.61	317.98	3.38	-48.23
O=C([O-])COCCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017548722	0	34	-1.0	-52.65	335.90	4.09	-48.56
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548723	0	41	-1.0	-57.04	370.44	1.42	-55.62
CCN1C=C(S(=O)(=O)NCCCOCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300017548724	0	37	-1.0	-59.10	341.51	3.84	-55.26
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017548725	0	34	-1.0	-59.12	324.69	4.33	-54.79
O=C([O-])COCCCNS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017548726	0	34	-1.0	-51.78	326.12	3.70	-48.08
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017548727	0	39	-1.0	-53.68	362.41	3.65	-50.03
O=C([O-])COCCCNS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017548728	0	34	-1.0	-53.88	330.30	5.05	-48.83
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017548729	0	46	-1.0	-52.97	402.75	6.24	-46.73
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C(F)=C1	REAL300017548730	0	40	-1.0	-59.97	363.29	-0.59	-60.56
CCC(=O)C1=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548731	0	40	-1.0	-58.42	354.58	4.23	-54.19
CCOC(=O)N1CCN(S(=O)(=O)NCCCOCC(=O)[O-])CC1	REAL300017548732	0	45	-1.0	-54.80	377.09	1.69	-53.11
COC1=C(S(=O)(=O)NCCCOCC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017548733	0	41	-1.0	-54.14	370.55	4.19	-49.95
O=C([O-])COCCCNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017548734	0	42	-1.0	-55.11	377.47	4.51	-50.60
O=C([O-])COCCCNS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017548735	0	35	-1.0	-64.06	319.69	2.16	-61.90
CC(C)CCN(CCC(C)C)S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548736	0	54	-1.0	-50.54	423.71	5.67	-44.87
CC1=CC=CC(CS(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548737	0	38	-1.0	-54.68	336.66	4.34	-50.34
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548738	0	40	-1.0	-59.16	368.57	-0.42	-59.58
O=C([O-])COCCCNS(=O)(=O)CC1=CC=CC(F)=C1	REAL300017548739	0	35	-1.0	-55.47	321.66	3.74	-51.73
CC1=CC=CC=C1CS(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548740	0	38	-1.0	-54.20	331.05	4.25	-49.95
CS(=O)(=O)C1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1F	REAL300017548741	0	38	-1.0	-58.70	356.60	0.50	-58.20
CCOC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C2=CC=CC=C12	REAL300017548742	0	45	-1.0	-53.13	382.72	5.60	-47.53
CCOC1=CC=C(C)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548743	0	42	-1.0	-53.13	355.28	4.37	-48.76
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017548744	0	37	-1.0	-62.45	339.78	3.14	-59.31
O=C([O-])COCCCNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017548745	0	39	-1.0	-54.92	352.06	4.08	-50.84
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017548746	0	34	-1.0	-53.79	335.90	4.08	-49.71
N#CC1=C(F)C=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548747	0	33	-1.0	-56.31	302.99	2.74	-53.57
CCOCCOC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548748	0	46	-1.0	-54.08	398.34	3.42	-50.66
CCCCCOC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548749	0	48	-1.0	-51.50	407.35	5.54	-45.96
O=C([O-])COCCCNS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017548750	0	34	-1.0	-57.42	321.26	4.85	-52.57
COC(=O)C1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1F	REAL300017548751	0	38	-1.0	-54.89	350.83	3.63	-51.26
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548752	0	42	-1.0	-57.22	366.67	3.43	-53.79
COC(=O)CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])S1	REAL300017548753	0	38	-1.0	-56.13	360.86	3.57	-52.56
COC(=O)C1=CSC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548754	0	35	-1.0	-54.47	339.54	2.63	-51.84
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548755	0	44	-1.0	-55.37	377.83	5.03	-50.34
COC(=O)C1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1Cl	REAL300017548756	0	38	-1.0	-53.55	358.82	4.00	-49.55
COC(=O)C1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1C	REAL300017548757	0	41	-1.0	-53.06	362.33	4.14	-48.92
COC(=O)C1=CC=C(F)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548758	0	38	-1.0	-54.99	344.49	3.35	-51.64
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017548759	0	42	-1.0	-51.30	347.16	5.63	-45.67
O=C([O-])COCCCNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017548760	0	38	-1.0	-55.09	339.87	4.77	-50.32
O=C([O-])COCCCNS(=O)(=O)C1=CN=CC(Br)=C1	REAL300017548761	0	31	-1.0	-50.47	307.81	1.76	-48.71
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017548762	0	36	-1.0	-50.65	347.88	4.42	-46.23
O=C([O-])COCCCNS(=O)(=O)C1=CC=C2COCC2=C1	REAL300017548763	0	37	-1.0	-52.31	327.46	2.26	-50.05
O=C([O-])COCCCNS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017548764	0	37	-1.0	-54.39	342.17	-1.58	-55.97
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C2S1	REAL300017548765	0	46	-1.0	-52.65	404.48	4.91	-47.74
COC(=O)CC1(CS(=O)(=O)NCCCOCC(=O)[O-])CC1	REAL300017548766	0	41	-1.0	-53.92	356.65	3.49	-50.43
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548767	0	37	-1.0	-54.11	348.45	3.07	-51.04
CC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C(F)C=C1F	REAL300017548768	0	35	-1.0	-50.18	316.47	3.40	-46.78
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548769	0	39	-1.0	-52.73	351.47	3.97	-48.76
CC(C)N1N=CC2=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C21	REAL300017548770	0	44	-1.0	-54.01	382.22	4.49	-49.52
CCCCCCN1C=C(S(=O)(=O)NCCCOCC(=O)[O-])C(=O)NC1=O	REAL300017548771	0	50	-1.0	-58.06	422.48	3.57	-54.49
CC1=CN(C2=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C2F)N=C1	REAL300017548772	0	42	-1.0	-57.45	376.11	4.99	-52.46
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCCCOCC(=O)[O-])S1	REAL300017548773	0	39	-1.0	-54.79	365.02	1.89	-52.90
CCS(=O)(=O)NCCS(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548774	0	39	-1.0	-61.64	355.34	-2.29	-63.93
CC1=CC(F)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1F	REAL300017548775	0	35	-1.0	-50.95	316.47	3.41	-47.54
CC1=CC(Cl)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017548776	0	37	-1.0	-51.98	337.43	4.20	-47.78
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(Br)O1	REAL300017548777	0	29	-1.0	-51.03	295.87	1.68	-49.35
CC1=C(S(=O)(=O)NCCCOCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300017548778	0	38	-1.0	-52.05	345.26	4.23	-47.82
O=C([O-])COCCCNS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017548779	0	29	-1.0	-48.36	308.56	2.78	-45.58
O=C([O-])COCCCNS(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017548780	0	35	-1.0	-51.35	336.82	4.45	-46.90
O=C([O-])COCCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017548781	0	35	-1.0	-51.06	347.13	4.89	-46.17
CC1=C(S(=O)(=O)NCCCOCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017548782	0	38	-1.0	-51.61	355.34	5.70	-45.91
O=C([O-])COCCCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300017548783	0	35	-1.0	-51.50	334.25	4.36	-47.14
O=C([O-])COCCCNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017548784	0	38	-1.0	-53.08	338.14	5.77	-47.31
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017548785	0	38	-1.0	-54.58	349.24	5.82	-48.76
CCOC(=O)C1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CN1C	REAL300017548786	0	42	-1.0	-57.17	374.54	3.98	-53.19
CCOC(=O)C1CC2=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C2O1	REAL300017548787	0	46	-1.0	-56.19	404.98	5.20	-50.99
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1F	REAL300017548788	0	38	-1.0	-57.89	356.60	0.50	-57.39
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548789	0	41	-1.0	-59.09	380.65	2.89	-56.20
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548790	0	45	-1.0	-58.15	398.91	4.53	-53.62
CC1=C(S(=O)(=O)NCCCOCC(=O)[O-])SC2=CC=CC(F)=C12	REAL300017548791	0	38	-1.0	-52.94	347.10	4.83	-48.11
O=C([O-])COCCCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017548792	0	43	-1.0	-60.68	391.50	0.02	-60.66
N#CC1=CC(F)=C(S(=O)(=O)NCCCOCC(=O)[O-])C(F)=C1	REAL300017548793	1	33	-1.0	-52.69	320.79	3.63	-49.06
CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1N(C)C	REAL300017548794	0	43	-1.0	-51.56	366.40	3.62	-47.94
CN1C(Cl)=NC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548795	0	32	-1.0	-51.33	306.48	1.91	-49.42
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548796	0	37	-1.0	-53.43	346.88	4.90	-48.53
CSC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1Cl	REAL300017548797	0	36	-1.0	-52.26	346.71	4.43	-47.83
CN1C=C(S(=O)(=O)NCCCOCC(=O)[O-])N=C1Cl	REAL300017548798	0	32	-1.0	-55.89	311.68	1.78	-54.11
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548799	0	35	-1.0	-61.24	321.64	3.11	-58.13
O=C([O-])COCCCNS(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017548800	0	44	-1.0	-55.68	392.58	5.45	-50.23
CN(C)C1=CC=C(Br)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548801	0	40	-1.0	-52.10	359.43	4.10	-48.00
CC1=NN2C=C(S(=O)(=O)NCCCOCC(=O)[O-])C=NC2=C1Cl	REAL300017548802	0	37	-1.0	-54.63	350.94	2.80	-51.83
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548803	0	38	-1.0	-53.15	352.25	4.97	-48.18
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548804	0	44	-1.0	-52.93	365.33	3.43	-49.50
CCC1=NOC2=NC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C12	REAL300017548805	0	39	-1.0	-55.52	352.73	0.67	-54.85
CC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017548806	0	37	-1.0	-54.36	344.56	4.27	-50.09
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548807	0	38	-1.0	-53.32	341.92	4.54	-48.78
O=C([O-])COCCCNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017548808	0	35	-1.0	-64.38	328.73	2.81	-61.57
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548809	0	40	-1.0	-61.98	363.63	1.08	-60.90
O=C([O-])COCCCNS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017548810	0	31	-1.0	-49.18	305.46	1.65	-47.53
COC(=O)C1CCCCC1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548811	0	44	-1.0	-54.97	363.34	4.60	-50.37
COC(=O)C1(C2=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C2)CC1	REAL300017548812	0	45	-1.0	-54.51	389.83	5.59	-48.92
O=C([O-])COCCCNS(=O)(=O)C1=CN2CCCCC2=N1	REAL300017548813	0	39	-1.0	-56.97	337.28	2.99	-53.98
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548814	0	36	-1.0	-57.04	350.28	4.42	-52.62
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017548815	0	38	-1.0	-52.12	360.11	1.05	-51.07
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017548816	0	41	-1.0	-59.11	357.83	6.75	-52.36
CCC1=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C(C(=O)OC)O1	REAL300017548817	0	41	-1.0	-53.36	370.73	3.29	-50.07
O=C([O-])COCCCNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017548818	0	49	-1.0	-59.44	408.74	4.87	-54.57
COC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C(C)=C1F	REAL300017548819	0	39	-1.0	-52.77	340.69	3.19	-49.58
O=C([O-])COCCCNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017548820	0	52	-1.0	-57.08	410.85	4.55	-52.53
O=C([O-])COCCCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017548821	0	46	-1.0	-57.82	384.89	3.21	-54.61
O=C([O-])COCCCNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017548822	0	43	-1.0	-57.51	390.49	3.74	-53.77
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548823	0	40	-1.0	-53.58	363.73	5.11	-48.47
N#CC1(CS(=O)(=O)NCCCOCC(=O)[O-])CCCCC1	REAL300017548824	0	42	-1.0	-60.84	346.51	3.85	-56.99
CC1(CS(=O)(=O)NCCCOCC(=O)[O-])CCCCC1	REAL300017548825	0	44	-1.0	-52.33	341.33	4.47	-47.86
O=C([O-])COCCCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017548826	0	41	-1.0	-52.70	353.55	4.38	-48.32
O=C([O-])COCCCNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017548827	0	35	-1.0	-54.97	330.56	1.80	-53.17
COC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1F	REAL300017548828	0	36	-1.0	-52.06	327.23	2.33	-49.73
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548829	0	43	-1.0	-55.62	381.66	3.04	-52.58
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548830	0	46	-1.0	-53.81	399.15	4.17	-49.64
CC(C)C1=CC=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548831	0	41	-1.0	-51.42	345.45	5.05	-46.37
O=C([O-])COCCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017548832	0	46	-1.0	-52.29	398.38	6.33	-45.96
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C2O1	REAL300017548833	0	47	-1.0	-53.77	415.20	5.63	-48.14
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548834	0	44	-1.0	-55.51	382.80	5.44	-50.07
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017548835	0	32	-1.0	-50.55	315.24	3.57	-46.98
CC1=C(Cl)SC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548836	0	32	-1.0	-49.88	320.47	3.18	-46.70
COC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C(F)=C1	REAL300017548837	0	36	-1.0	-52.56	319.23	2.00	-50.56
CC1=CC=C(C)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1[N+](=O)[O-]	REAL300017548838	0	40	-1.0	-58.61	347.67	5.93	-52.68
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017548839	0	38	-1.0	-53.33	352.51	4.75	-48.58
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548840	0	42	-1.0	-50.64	377.14	5.93	-44.71
CCC1=CC=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548841	0	38	-1.0	-51.15	322.98	4.74	-46.41
COC(=O)NC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548842	0	40	-1.0	-55.84	358.66	1.18	-54.66
CN(C)C1=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548843	0	40	-1.0	-52.57	342.62	3.34	-49.23
O=C([O-])COCCCNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017548844	0	38	-1.0	-53.28	337.20	3.46	-49.82
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017548846	0	35	-1.0	-52.92	323.68	3.83	-49.09
O=C([O-])COCCCNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017548847	0	35	-1.0	-49.89	346.97	4.47	-45.42
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017548848	0	35	-1.0	-50.61	328.49	3.71	-46.90
CC1=CC(Br)=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548849	0	35	-1.0	-50.68	334.21	4.24	-46.44
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548850	0	43	-1.0	-57.13	357.45	0.94	-56.19
CSC1=CC=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548851	0	36	-1.0	-53.13	315.83	3.13	-50.00
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548852	0	43	-1.0	-57.26	362.85	2.51	-54.75
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017548853	0	44	-1.0	-56.54	364.20	1.80	-54.74
COC1=C(F)C=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017548854	0	38	-1.0	-52.97	354.97	3.79	-49.18
COC(=O)NC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017548855	0	42	-1.0	-54.05	382.20	2.31	-51.74
COC(=O)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C(OC)=C1	REAL300017548856	0	42	-1.0	-53.98	366.70	3.44	-50.54
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548857	0	35	-1.0	-50.24	333.28	4.53	-45.71
CC1=CC(C)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017548858	0	40	-1.0	-54.82	350.21	5.04	-49.78
O=C([O-])COCCCNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017548859	0	40	-1.0	-59.32	355.15	4.22	-55.10
O=C([O-])COCCCNS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017548860	0	38	-1.0	-62.98	335.44	-0.59	-63.57
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C21	REAL300017548861	0	42	-1.0	-56.89	371.74	3.87	-53.02
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017548862	0	37	-1.0	-58.27	339.77	3.14	-55.13
COC1=CC(F)=C(S(=O)(=O)NCCCOCC(=O)[O-])C(F)=C1	REAL300017548863	0	36	-1.0	-52.63	329.49	2.52	-50.11
CCOC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C(C)=C1	REAL300017548864	0	42	-1.0	-51.53	357.55	4.08	-47.45
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548865	0	40	-1.0	-57.10	368.12	-0.88	-57.98
CS(=O)(=O)CCS(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548866	0	34	-1.0	-62.10	318.98	-1.79	-63.89
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548867	0	41	-1.0	-55.91	363.23	4.54	-51.37
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017548868	0	36	-1.0	-53.60	321.78	3.05	-50.55
CSC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548869	0	36	-1.0	-51.71	331.69	3.98	-47.73
CCCOC(=O)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548870	0	44	-1.0	-52.80	389.61	5.34	-47.46
CCC(=O)NC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548871	0	42	-1.0	-57.72	368.13	2.66	-55.06
O=C([O-])COCCCNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017548872	0	38	-1.0	-55.74	354.31	4.69	-51.05
CCN(CC1=CC=CC=C1)S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548873	0	43	-1.0	-53.10	361.41	4.72	-48.38
CCN1C=C(S(=O)(=O)NCCCOCC(=O)[O-])N=C1C	REAL300017548874	0	38	-1.0	-57.67	337.04	2.73	-54.94
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017548875	0	31	-1.0	-51.29	305.24	1.57	-49.72
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017548876	0	38	-1.0	-53.94	325.94	2.51	-51.43
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017548877	0	37	-1.0	-53.66	327.62	3.42	-50.24
O=C([O-])COCCCNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017548878	0	44	-1.0	-54.35	385.22	4.94	-49.41
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC(F)=C1F	REAL300017548879	0	32	-1.0	-53.48	296.06	2.77	-50.71
O=C([O-])COCCCNS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017548880	0	32	-1.0	-50.91	311.06	3.33	-47.58
CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(F)(F)F	REAL300017548881	0	38	-1.0	-51.72	345.93	4.48	-47.24
O=C([O-])COCCCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017548882	0	38	-1.0	-53.11	364.33	3.69	-49.42
CC1=NN(C)C2=NC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C12	REAL300017548883	0	40	-1.0	-54.73	357.81	2.68	-52.05
O=C([O-])COCCCNS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017548884	0	35	-1.0	-54.43	341.87	4.33	-50.10
CC1=NOC2=NC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C12	REAL300017548885	0	36	-1.0	-56.27	331.25	-0.06	-56.33
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017548886	0	41	-1.0	-53.03	373.04	5.80	-47.23
COCC1=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548887	0	39	-1.0	-53.15	346.56	2.68	-50.47
O=C([O-])COCCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017548888	0	34	-1.0	-52.39	336.19	4.37	-48.02
COC(=O)C1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C(C(=O)OC)S1	REAL300017548889	0	41	-1.0	-55.19	386.73	4.18	-51.01
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548890	0	38	-1.0	-54.20	342.10	4.51	-49.69
O=C([O-])COCCCNS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017548891	0	35	-1.0	-54.50	328.83	4.11	-50.39
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017548892	0	44	-1.0	-64.54	388.09	1.46	-63.08
O=C([O-])COCCCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017548893	0	39	-1.0	-54.85	361.25	3.47	-51.38
O=C([O-])COCCCNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017548894	0	32	-1.0	-50.18	314.45	3.63	-46.55
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CN=C21	REAL300017548895	0	40	-1.0	-54.34	360.84	0.45	-53.89
CCOC(=O)C1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1F	REAL300017548925	0	41	-1.0	-54.21	372.70	4.56	-49.65
O=C([O-])COCCCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017548926	0	40	-1.0	-55.49	353.34	3.60	-51.89
O=C([O-])COCCCNS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017548927	0	32	-1.0	-50.58	299.56	3.07	-47.51
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548928	0	51	-1.0	-58.58	422.62	6.04	-52.54
O=C([O-])COCCCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017548929	0	35	-1.0	-53.46	342.16	4.56	-48.90
N#CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C(Cl)=C1	REAL300017548930	0	33	-1.0	-51.96	313.91	3.39	-48.57
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1Cl	REAL300017548931	0	39	-1.0	-55.11	359.89	2.22	-52.89
CC1CC2=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C2O1	REAL300017548932	0	40	-1.0	-52.38	348.55	3.56	-48.82
COC1=CC(Cl)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1Cl	REAL300017548933	0	36	-1.0	-50.59	338.64	2.86	-47.73
CCC1=CC=CC(CC)=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548934	0	44	-1.0	-49.87	348.48	6.12	-43.75
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548935	0	44	-1.0	-57.65	379.43	1.96	-55.69
COC(=O)C1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CS1	REAL300017548936	0	35	-1.0	-55.27	338.78	2.62	-52.65
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548937	0	41	-1.0	-54.22	374.23	5.47	-48.75
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017548938	0	43	-1.0	-52.64	396.89	6.31	-46.33
O=C([O-])COCCCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017548939	0	38	-1.0	-54.83	357.92	3.63	-51.20
O=C([O-])COCCCNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017548940	0	38	-1.0	-52.76	374.65	4.15	-48.61
COC(=O)C1=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1C	REAL300017548941	0	41	-1.0	-54.16	356.00	4.27	-49.89
O=C([O-])COCCCNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017548942	0	34	-1.0	-51.36	341.01	4.25	-47.11
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548943	0	44	-1.0	-53.25	370.67	3.56	-49.69
CCOC(=O)N1CCC(S(=O)(=O)NCCCOCC(=O)[O-])CC1	REAL300017548944	0	46	-1.0	-57.58	385.72	2.86	-54.72
CC1=NC(C2=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C2)=CO1	REAL300017548945	0	41	-1.0	-56.26	367.89	2.03	-54.23
O=C([O-])COCCCNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017548946	0	31	-1.0	-50.24	318.56	2.04	-48.20
O=C([O-])COCCCNS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017548947	0	35	-1.0	-53.89	321.26	3.34	-50.55
O=C([O-])COCCCNS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017548948	0	35	-1.0	-53.24	317.54	1.62	-51.62
O=C([O-])COCCCNS(=O)(=O)C1=CN=C2CCCN12	REAL300017548949	0	36	-1.0	-57.24	313.51	2.15	-55.09
O=C([O-])COCCCNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017548950	0	40	-1.0	-52.38	345.20	3.59	-48.79
COC1=CC=C(Cl)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548951	0	36	-1.0	-52.40	322.63	2.30	-50.10
COC(=O)C1=C(S(=O)(=O)NCCCOCC(=O)[O-])C2=CC=CC=C2S1	REAL300017548952	0	41	-1.0	-53.52	377.59	5.67	-47.85
COC(=O)CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548953	0	41	-1.0	-56.56	368.44	4.40	-52.16
O=C([O-])COCCCNS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017548954	0	39	-1.0	-53.61	337.23	4.85	-48.76
CC1=CC=C(N2C=C(S(=O)(=O)NCCCOCC(=O)[O-])C=N2)C=C1	REAL300017548955	0	42	-1.0	-54.61	373.46	4.74	-49.87
O=C([O-])COCCCNS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017548956	0	47	-1.0	-57.50	415.07	4.24	-53.26
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCCOCC(=O)[O-])S1	REAL300017548957	0	34	-1.0	-52.94	330.79	3.34	-49.60
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C21	REAL300017548958	0	43	-1.0	-62.47	370.66	4.01	-58.46
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017548959	0	32	-1.0	-52.03	322.79	4.15	-47.88
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017548960	0	32	-1.0	-50.59	327.63	4.03	-46.56
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548961	0	42	-1.0	-53.59	350.47	4.52	-49.07
CC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1C#N	REAL300017548962	0	36	-1.0	-52.52	331.48	3.85	-48.67
COC(=O)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1F	REAL300017548963	0	38	-1.0	-55.45	350.82	3.64	-51.81
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548964	0	36	-1.0	-52.70	328.74	3.30	-49.40
COC1=CC=C(C)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548965	0	39	-1.0	-53.03	335.70	3.16	-49.87
N#CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1Br	REAL300017548966	0	33	-1.0	-52.93	331.99	3.85	-49.08
COC1=CC(C)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1Cl	REAL300017548967	0	39	-1.0	-52.22	352.56	3.59	-48.63
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCCCOCC(=O)[O-])S1	REAL300017548968	0	38	-1.0	-51.65	365.44	3.59	-48.06
CC(=O)NC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1F	REAL300017548969	0	39	-1.0	-55.10	352.69	1.97	-53.13
COC1=CC(Cl)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1OC	REAL300017548970	0	40	-1.0	-52.07	351.84	2.21	-49.86
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017548971	0	36	-1.0	-53.45	336.98	2.60	-50.85
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017548972	0	35	-1.0	-51.37	335.82	4.02	-47.35
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C	REAL300017548973	0	43	-1.0	-56.84	383.37	-0.08	-56.92
N#CCC1=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548974	0	36	-1.0	-57.99	333.74	4.12	-53.87
COC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C(Br)=C1	REAL300017548975	0	36	-1.0	-51.87	337.43	3.00	-48.87
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=N1	REAL300017548976	0	37	-1.0	-60.58	348.27	-1.43	-62.01
CC1=CC2=C(C=C1S(=O)(=O)NCCCOCC(=O)[O-])OCO2	REAL300017548977	0	38	-1.0	-52.76	332.28	2.53	-50.23
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548978	0	38	-1.0	-54.20	333.62	4.07	-50.13
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017548979	0	32	-1.0	-49.66	309.89	3.52	-46.14
CC1=CC(F)=CC(C)=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548980	0	38	-1.0	-49.29	323.99	4.51	-44.78
O=C([O-])COCCCNS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017548981	0	32	-1.0	-50.30	324.69	4.22	-46.08
COC1=CC2=C(C=C1S(=O)(=O)NCCCOCC(=O)[O-])OCC(=O)N2	REAL300017548982	0	42	-1.0	-55.72	362.68	0.01	-55.71
N#CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])S1	REAL300017548983	0	30	-1.0	-52.17	304.00	2.51	-49.66
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017548984	0	33	-1.0	-54.92	309.84	1.34	-53.58
COC1=CN=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548985	0	35	-1.0	-52.59	316.06	0.42	-52.17
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017548986	0	32	-1.0	-52.55	310.37	3.31	-49.24
COC(=O)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1OC	REAL300017548987	0	42	-1.0	-55.35	373.58	3.67	-51.68
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548988	0	36	-1.0	-56.08	342.75	0.25	-55.83
CCOC1=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548989	0	39	-1.0	-53.17	342.87	3.18	-49.99
CC1(C)CC2=CC=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C2O1	REAL300017548990	0	43	-1.0	-53.81	362.73	4.22	-49.59
N#CC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1C(F)(F)F	REAL300017548991	0	36	-1.0	-54.04	348.17	4.14	-49.90
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C)C(F)=C1	REAL300017549750	0	37	-1.0	-43.32	315.39	4.87	-38.45
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1	REAL300017549751	0	36	-1.0	-40.40	323.10	5.46	-34.94
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1	REAL300017549752	0	37	-1.0	-41.75	326.02	4.49	-37.26
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017549753	0	43	-1.0	-44.23	344.51	5.19	-39.04
CC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017549754	0	49	-1.0	-40.86	353.85	5.43	-35.43
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300017549755	0	39	-1.0	-48.47	314.52	5.47	-43.00
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017549756	0	39	-1.0	-47.21	323.69	5.70	-41.51
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017549757	0	42	-1.0	-43.08	338.33	2.24	-40.84
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017549766	0	34	-1.0	-42.13	308.54	4.67	-37.46
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300017549768	0	38	-1.0	-50.50	316.34	1.19	-49.31
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C=C1	REAL300017549769	0	56	-1.0	-43.08	447.56	8.39	-34.69
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1	REAL300017549770	0	46	-1.0	-50.43	377.07	5.81	-44.62
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC)CC(=O)[O-]	REAL300017549771	0	41	-1.0	-41.91	346.16	6.11	-35.80
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017549772	0	37	-1.0	-41.26	317.07	5.04	-36.22
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1F	REAL300017549773	0	37	-1.0	-43.82	316.22	5.00	-38.82
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017549774	0	37	-1.0	-42.69	323.33	5.34	-37.35
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC	REAL300017549775	0	35	-1.0	-54.22	312.78	4.66	-49.56
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O	REAL300017549776	0	46	-1.0	-69.80	361.89	3.07	-66.73
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1	REAL300017549778	0	38	-1.0	-42.12	342.14	6.10	-36.02
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CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])=C1	REAL300017549781	0	44	-1.0	-43.51	351.39	5.43	-38.08
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CC(C)CC(F)(F)F	REAL300017549782	0	36	-1.0	-38.44	300.74	3.64	-34.80
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017549783	0	38	-1.0	-47.09	324.57	5.51	-41.58
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C	REAL300017549784	0	43	-1.0	-43.46	350.50	3.50	-39.96
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1OC	REAL300017549785	0	35	-1.0	-54.76	293.09	4.01	-50.75
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300017549786	0	37	-1.0	-43.89	319.26	3.21	-40.68
CCC1=NC(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])=CN1CC1CC1	REAL300017549787	0	44	-1.0	-51.18	354.29	6.80	-44.38
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1	REAL300017549788	0	42	-1.0	-46.10	344.14	4.25	-41.85
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017549789	0	34	-1.0	-43.57	300.97	3.28	-40.29
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017549790	0	34	-1.0	-48.85	309.60	3.51	-45.34
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C=C1C(C)C	REAL300017549791	0	50	-1.0	-42.91	391.77	6.79	-36.12
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017549794	0	44	-1.0	-43.97	362.94	6.18	-37.79
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017549795	0	45	-1.0	-43.44	377.83	7.09	-36.35
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1	REAL300017549796	0	41	-1.0	-42.95	347.21	4.58	-38.37
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12	REAL300017549799	0	43	-1.0	-44.66	349.59	6.48	-38.18
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1	REAL300017549800	0	42	-1.0	-50.37	351.48	2.55	-47.82
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C(F)F)CCCC1	REAL300017549801	0	40	-1.0	-44.31	306.22	5.13	-39.18
CCOC1(CS(=O)(=O)N[C@@H](CC)CC(=O)[O-])CCOCC1	REAL300017549802	0	45	-1.0	-40.22	336.58	2.49	-37.73
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300017549803	0	37	-1.0	-54.44	323.30	4.75	-49.69
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CCOC)N=C1	REAL300017549814	0	38	-1.0	-43.48	327.77	1.06	-42.42
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017549816	0	38	-1.0	-47.62	331.58	4.01	-43.61
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])=C1C	REAL300017549817	0	58	-1.0	-46.62	451.10	7.84	-38.78
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017549821	0	34	-1.0	-40.84	300.39	4.25	-36.59
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1COC	REAL300017549825	0	38	-1.0	-42.28	305.06	3.72	-38.56
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300017549826	0	35	-1.0	-41.68	317.10	3.43	-38.25
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017549827	0	34	-1.0	-58.80	325.54	1.18	-57.62
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017549828	0	34	-1.0	-49.41	311.91	2.51	-46.90
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017549829	0	42	-1.0	-44.46	337.97	5.00	-39.46
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300017549830	0	39	-1.0	-47.32	344.86	0.21	-47.11
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC	REAL300017549832	0	46	-1.0	-49.21	376.49	1.45	-47.76
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1	REAL300017549833	0	50	-1.0	-45.78	415.94	4.80	-40.98
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C=C1F	REAL300017549834	0	45	-1.0	-46.26	387.83	1.90	-44.36
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300017549835	0	46	-1.0	-47.77	363.52	4.52	-43.25
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300017549836	0	42	-1.0	-46.58	366.32	1.12	-45.46
CCC(=O)NCC1=CC(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])=CC=C1OC	REAL300017549837	0	48	-1.0	-47.35	398.08	2.62	-44.73
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC=C1Br	REAL300017549838	0	35	-1.0	-57.10	302.41	4.01	-53.09
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017549839	0	46	-1.0	-42.28	374.10	4.18	-38.10
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300017549840	0	40	-1.0	-44.56	349.38	1.88	-42.68
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017549841	0	33	-1.0	-41.57	315.49	3.37	-38.20
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1	REAL300017549842	0	36	-1.0	-42.05	323.95	4.48	-37.57
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl	REAL300017549843	0	36	-1.0	-46.79	303.59	4.46	-42.33
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300017549844	0	32	-1.0	-37.06	302.54	4.74	-32.32
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C=C1Br	REAL300017549845	0	38	-1.0	-41.05	332.11	4.64	-36.41
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017549846	0	45	-1.0	-42.43	382.65	2.89	-39.54
CC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017549847	0	34	-1.0	-47.98	293.46	4.55	-43.43
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])=C1	REAL300017549848	0	44	-1.0	-43.64	370.21	5.72	-37.92
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017549849	0	31	-1.0	-36.65	287.83	5.08	-31.57
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300017549851	0	47	-1.0	-43.06	379.13	5.79	-37.27
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017549852	0	45	-1.0	-43.48	361.03	5.61	-37.87
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CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C=C1	REAL300017549854	0	41	-1.0	-43.27	340.06	4.49	-38.78
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CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])=C1	REAL300017549928	0	39	-1.0	-48.88	323.44	5.01	-43.87
CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])CC1	REAL300017549929	0	44	-1.0	-40.38	333.77	2.63	-37.75
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21	REAL300017549930	0	40	-1.0	-46.69	345.23	4.66	-42.03
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017549931	0	41	-1.0	-44.79	354.00	5.01	-39.78
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Br	REAL300017549933	0	37	-1.0	-59.84	327.67	5.38	-54.46
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300017549934	0	39	-1.0	-47.42	340.48	0.16	-47.26
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CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](CC)CC(=O)[O-]	REAL300017549939	0	41	-1.0	-44.33	324.79	5.36	-38.97
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017549940	0	36	-1.0	-45.79	308.86	3.91	-41.88
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017549941	0	38	-1.0	-47.03	328.55	4.56	-42.47
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017549942	0	33	-1.0	-39.23	311.60	4.59	-34.64
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300017549943	0	32	-1.0	-57.74	280.71	4.17	-53.57
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C=C1	REAL300017549944	0	45	-1.0	-45.38	374.05	3.92	-41.46
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C=C1	REAL300017549945	0	47	-1.0	-43.07	383.06	6.05	-37.02
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC	REAL300017549949	0	41	-1.0	-65.26	341.75	4.66	-60.60
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017550095	0	31	-1.0	-38.97	283.71	4.66	-34.31
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017550134	0	39	-1.0	-48.05	319.58	4.28	-43.77
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CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017550138	0	32	-1.0	-52.09	292.53	4.95	-47.14
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300017550139	0	38	-1.0	-56.11	334.36	3.62	-52.49
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300017550140	0	39	-1.0	-44.14	317.30	4.32	-39.82
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CCOC(CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])C1CC1	REAL300017563616	0	42	-1.0	-64.74	336.88	5.79	-58.95
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1F	REAL300017563617	0	38	-1.0	-58.18	332.94	6.14	-52.04
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=C(Cl)C=C21	REAL300017563618	0	43	-1.0	-64.10	355.69	6.83	-57.27
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563619	0	35	-1.0	-54.32	315.11	4.14	-50.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017563620	0	43	-1.0	-60.14	370.47	9.53	-50.61
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563621	0	35	-1.0	-58.81	304.75	6.61	-52.20
CC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Br	REAL300017563622	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-]	REAL300017563623	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	REAL300017563624	0	40	-1.0	-46.49	321.00	2.35	-44.14
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563625	0	36	-1.0	-58.61	321.31	5.36	-53.25
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017563626	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-]	REAL300017563627	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	REAL300017563628	0	39	-1.0	-49.57	322.66	2.21	-47.36
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563629	0	45	-1.0	-57.98	354.37	6.74	-51.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017563630	0	39	-1.0	-65.32	334.47	5.97	-59.35
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300017563631	0	59	-1.0	-61.27	452.00	9.78	-51.49
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017563632	0	40	-1.0	-64.71	346.01	7.78	-56.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017563633	0	32	-1.0	-54.52	297.49	6.11	-48.41
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017563634	0	35	-1.0	-65.00	305.66	6.36	-58.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017563635	0	39	-1.0	-56.11	327.10	2.59	-53.52
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300017563636	0	41	-1.0	-59.37	346.39	6.40	-52.97
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563637	0	35	-1.0	-57.60	295.85	6.47	-51.13
COCC1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563638	0	39	-1.0	-48.72	306.29	4.52	-44.20
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1Br	REAL300017563639	0	36	-1.0	-57.20	320.41	5.42	-51.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017563640	0	35	-1.0	-63.74	334.21	2.40	-61.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017563641	0	35	-1.0	-51.50	306.97	3.66	-47.84
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2O1	REAL300017563642	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	REAL300017563643	0	40	-1.0	-61.39	349.46	2.22	-59.17
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300017563644	0	43	-1.0	-60.31	370.92	3.11	-57.20
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1OC	REAL300017563645	0	49	-1.0	-66.57	401.50	4.60	-61.97
CCC1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017563646	0	41	-1.0	-63.77	336.83	7.70	-56.07
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563647	0	36	-1.0	-61.90	307.97	5.18	-56.72
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017563648	0	47	-1.0	-63.45	384.23	5.88	-57.57
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563649	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	REAL300017563650	0	34	-1.0	-56.32	318.77	5.35	-50.97
CC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1Br	REAL300017563651	0	37	-1.0	-57.25	329.53	6.56	-50.69
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563652	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	REAL300017563653	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	REAL300017563654	0	39	-1.0	-57.68	342.25	6.34	-51.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017563655	0	46	-1.0	-68.07	389.42	5.00	-63.07
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017563656	0	35	-1.0	-66.25	304.55	6.31	-59.94
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563657	0	45	-1.0	-59.45	377.17	7.28	-52.17
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)N1CCOC(C)(C)C1	REAL300017563658	0	41	-1.0	-59.15	316.64	3.61	-55.54
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300017563659	0	42	-1.0	-58.71	340.98	6.26	-52.45
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017563660	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	REAL300017563661	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	REAL300017563662	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	REAL300017563663	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	REAL300017563664	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	REAL300017563665	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	REAL300017563666	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	REAL300017563667	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	REAL300017563668	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	REAL300017563669	0	43	-1.0	-62.93	355.61	4.94	-57.99
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300017563670	0	46	-1.0	-63.10	375.55	5.69	-57.41
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300017563671	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	REAL300017563672	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	REAL300017563673	0	47	-1.0	-62.60	375.09	4.93	-57.67
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563674	0	42	-1.0	-67.85	343.40	5.30	-62.55
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(Br)=C1	REAL300017563675	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	REAL300017563676	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-]	REAL300017563677	0	38	-1.0	-54.51	326.76	6.87	-47.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017563678	0	33	-1.0	-55.29	306.68	6.25	-49.04
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563679	0	35	-1.0	-57.14	298.49	6.57	-50.57
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300017563680	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	REAL300017563681	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-]	REAL300017563682	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	REAL300017563683	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	REAL300017563684	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	REAL300017563685	0	48	-1.0	-62.13	383.16	7.20	-54.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017563686	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	REAL300017563687	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	REAL300017563688	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	REAL300017563689	0	35	-1.0	-50.82	304.43	4.40	-46.42
CC1=NC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017563690	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-]	REAL300017563691	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	REAL300017563692	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	REAL300017563693	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	REAL300017563694	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	REAL300017563695	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	REAL300017563696	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	REAL300017563697	0	42	-1.0	-64.46	367.39	5.00	-59.46
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563698	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-]	REAL300017563699	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	REAL300017563700	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	REAL300017563701	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-]	REAL300017563702	0	34	-1.0	-65.50	297.25	7.30	-58.20
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563703	0	40	-1.0	-69.26	329.56	7.18	-62.08
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017563704	0	35	-1.0	-56.35	298.41	5.41	-50.94
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(N)=O	REAL300017563705	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-]	REAL300017563706	0	35	-1.0	-57.29	293.93	6.46	-50.83
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563707	0	43	-1.0	-70.90	347.60	6.02	-64.88
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1C	REAL300017563708	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	REAL300017563709	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	REAL300017563710	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	REAL300017563711	0	41	-1.0	-64.43	348.74	6.93	-57.50
COC(=O)C1CCN(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300017563712	0	43	-1.0	-62.16	338.63	5.03	-57.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017563713	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	REAL300017563714	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	REAL300017563715	0	38	-1.0	-51.29	326.29	5.33	-45.96
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017563716	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	REAL300017563717	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	REAL300017563718	0	36	-1.0	-70.55	305.74	5.73	-64.82
CCOC(=O)CCCS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563719	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	REAL300017563720	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-]	REAL300017563721	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-]	REAL300017563722	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	REAL300017563723	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	REAL300017563724	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	REAL300017563725	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	REAL300017563726	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	REAL300017563727	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	REAL300017563728	0	40	-1.0	-60.95	333.49	4.64	-56.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017563729	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	REAL300017563730	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	REAL300017563731	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-]	REAL300017563732	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	REAL300017563733	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-]	REAL300017563734	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	REAL300017563735	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	REAL300017563736	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-]	REAL300017563737	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	REAL300017563738	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	REAL300017563739	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	REAL300017563740	0	40	-1.0	-66.62	333.21	6.69	-59.93
CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300017563741	0	45	-1.0	-58.63	354.82	4.16	-54.47
COC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017563742	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	REAL300017563743	0	42	-1.0	-58.67	355.13	6.99	-51.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017563744	0	35	-1.0	-69.68	293.38	3.93	-65.75
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563745	0	54	-1.0	-60.68	404.56	8.26	-52.42
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300017563746	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	REAL300017563747	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	REAL300017563748	0	38	-1.0	-67.44	335.59	2.99	-64.45
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CC=C12	REAL300017563749	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-]	REAL300017563750	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	REAL300017563751	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	REAL300017563752	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	REAL300017563753	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	REAL300017563754	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	REAL300017563755	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	REAL300017563756	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-]	REAL300017563757	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	REAL300017563758	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	REAL300017563759	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	REAL300017563760	0	42	-1.0	-72.15	350.47	6.05	-66.10
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017563761	0	38	-1.0	-65.00	338.12	6.04	-58.96
COC(=O)C1=CSC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563762	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	REAL300017563763	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=C1Cl	REAL300017563764	0	38	-1.0	-56.37	337.79	6.48	-49.89
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1C	REAL300017563765	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	REAL300017563766	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	REAL300017563767	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	REAL300017563768	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	REAL300017563769	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	REAL300017563770	0	36	-1.0	-56.47	327.01	6.91	-49.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300017563771	0	37	-1.0	-61.15	306.11	4.73	-56.42
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017563772	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	REAL300017563773	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	REAL300017563774	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-]	REAL300017563775	0	37	-1.0	-51.22	322.84	4.95	-46.27
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(F)C=C1F	REAL300017563776	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-]	REAL300017563777	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	REAL300017563778	0	44	-1.0	-60.94	360.77	6.97	-53.97
CCCCCCN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(=O)NC1=O	REAL300017563779	0	50	-1.0	-58.42	405.61	6.33	-52.09
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2F)N=C1	REAL300017563780	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	REAL300017563781	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-]	REAL300017563782	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	REAL300017563783	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-]	REAL300017563784	0	37	-1.0	-61.80	320.72	6.94	-54.86
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300017563785	0	29	-1.0	-48.49	269.26	4.30	-44.19
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300017563786	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	REAL300017563787	0	29	-1.0	-54.79	293.04	5.55	-49.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017563788	0	35	-1.0	-58.12	315.64	6.96	-51.16
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017563789	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	REAL300017563790	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	REAL300017563791	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	REAL300017563792	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	REAL300017563793	0	38	-1.0	-51.15	318.03	7.33	-43.82
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017563794	0	43	-1.0	-47.49	367.79	3.68	-43.81
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1C	REAL300017563795	0	42	-1.0	-58.25	345.89	5.76	-52.49
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2O1	REAL300017563796	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	REAL300017563797	0	38	-1.0	-61.28	335.59	2.99	-58.29
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300017563798	0	41	-1.0	-56.35	354.65	4.54	-51.81
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017563799	0	45	-1.0	-65.31	377.53	7.01	-58.30
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])SC2=CC=CC(F)=C12	REAL300017563800	0	38	-1.0	-63.68	332.66	7.64	-56.04
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017563801	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	REAL300017563802	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	REAL300017563803	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-]	REAL300017563804	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-]	REAL300017563805	0	37	-1.0	-62.95	318.55	6.99	-55.96
CSC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300017563806	0	36	-1.0	-57.53	325.69	6.91	-50.62
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])N=C1Cl	REAL300017563807	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	REAL300017563808	0	35	-1.0	-60.16	305.44	5.99	-54.17
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017563809	0	44	-1.0	-61.67	373.25	8.07	-53.60
CN(C)C1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563810	0	40	-1.0	-60.21	329.62	6.29	-53.92
CC1=NN2C=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=NC2=C1Cl	REAL300017563811	0	37	-1.0	-54.68	332.85	5.46	-49.22
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563812	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-]	REAL300017563813	0	44	-1.0	-60.31	339.70	5.64	-54.67
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C12	REAL300017563814	0	39	-1.0	-41.45	323.74	2.43	-39.02
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017563815	0	37	-1.0	-52.51	320.54	6.69	-45.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017563816	0	38	-1.0	-59.58	337.66	8.32	-51.26
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563817	0	38	-1.0	-52.06	316.61	6.46	-45.60
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017563818	0	35	-1.0	-68.39	294.56	4.22	-64.17
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017563819	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	REAL300017563820	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	REAL300017563821	0	31	-1.0	-52.85	289.12	4.41	-48.44
COC(=O)C1CCCCC1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563822	0	44	-1.0	-72.70	339.86	6.89	-65.81
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)CC1	REAL300017563823	0	45	-1.0	-63.88	368.49	8.06	-55.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300017563824	0	39	-1.0	-60.76	310.46	5.40	-55.36
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300017563825	0	36	-1.0	-61.07	329.03	7.01	-54.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017563826	0	38	-1.0	-56.75	338.78	3.50	-53.25
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563827	0	36	-1.0	-60.12	322.81	6.03	-54.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017563828	0	41	-1.0	-56.83	328.85	8.04	-48.79
CCC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300017563829	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	REAL300017563830	0	49	-1.0	-64.55	384.50	7.40	-57.15
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1F	REAL300017563831	0	39	-1.0	-57.29	312.08	5.29	-52.00
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017563832	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	REAL300017563833	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	REAL300017563834	0	43	-1.0	-64.72	369.80	6.41	-58.31
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563835	0	40	-1.0	-49.18	338.23	7.04	-42.14
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CCCCC1	REAL300017563836	0	42	-1.0	-74.68	325.19	6.42	-68.26
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C)CCCCC1	REAL300017563837	0	44	-1.0	-64.59	322.25	7.03	-57.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017563838	0	41	-1.0	-49.31	326.98	6.21	-43.10
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017563839	0	35	-1.0	-51.84	300.83	3.49	-48.35
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1F	REAL300017563840	0	36	-1.0	-57.68	306.21	4.83	-52.85
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563841	0	43	-1.0	-55.41	354.22	4.97	-50.44
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563842	0	46	-1.0	-53.22	378.90	6.04	-47.18
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563843	0	41	-1.0	-49.52	311.16	6.43	-43.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017563844	0	46	-1.0	-50.68	378.36	8.20	-42.48
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2O1	REAL300017563845	0	47	-1.0	-57.96	393.75	8.12	-49.84
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563846	0	44	-1.0	-70.02	354.46	7.53	-62.49
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017563847	0	32	-1.0	-52.04	298.50	6.32	-45.72
CC1=C(Cl)SC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563848	0	32	-1.0	-42.17	291.18	4.99	-37.18
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1	REAL300017563849	0	36	-1.0	-59.67	303.22	4.76	-54.91
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300017563850	0	40	-1.0	-76.42	318.81	8.18	-68.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017563851	0	38	-1.0	-63.06	331.09	7.21	-55.85
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017563852	0	42	-1.0	-44.67	345.19	7.31	-37.36
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017563853	0	40	-1.0	-65.36	337.19	3.71	-61.65
CN(C)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563854	0	40	-1.0	-61.86	319.50	5.80	-56.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017563855	0	38	-1.0	-47.83	310.60	5.31	-42.52
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017563857	0	35	-1.0	-61.70	302.35	6.30	-55.40
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017563858	0	35	-1.0	-54.88	322.94	6.87	-48.01
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017563859	0	35	-1.0	-55.57	312.51	6.46	-49.11
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563860	0	35	-1.0	-60.04	313.21	6.72	-53.32
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563861	0	43	-1.0	-58.91	341.40	3.83	-55.08
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563862	0	36	-1.0	-64.68	299.06	6.13	-58.55
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563863	0	43	-1.0	-66.07	346.47	4.43	-61.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017563864	0	44	-1.0	-48.66	358.59	4.49	-44.17
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017563865	0	38	-1.0	-51.68	330.92	6.18	-45.50
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017563866	0	42	-1.0	-59.31	361.64	4.83	-54.48
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017563867	0	43	-1.0	-68.89	369.35	7.26	-61.63
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(OC)=C1	REAL300017563868	0	42	-1.0	-60.56	350.62	6.05	-54.51
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563869	0	35	-1.0	-58.41	304.74	6.61	-51.80
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017563870	0	40	-1.0	-55.68	317.07	6.37	-49.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017563871	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	REAL300017563872	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	REAL300017563873	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	REAL300017563874	0	37	-1.0	-65.56	318.38	5.61	-59.95
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1	REAL300017563875	0	36	-1.0	-63.36	306.18	4.93	-58.43
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1	REAL300017563876	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	REAL300017563877	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-]	REAL300017563878	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	REAL300017563879	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	REAL300017563880	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	REAL300017563881	0	44	-1.0	-59.15	368.21	7.81	-51.34
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017563882	0	42	-1.0	-69.16	347.04	5.13	-64.03
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017563883	0	38	-1.0	-66.45	335.01	7.31	-59.14
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563884	0	43	-1.0	-63.58	339.59	7.22	-56.36
CCN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])N=C1C	REAL300017563885	0	38	-1.0	-50.13	308.47	4.37	-45.76
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017563886	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	REAL300017563887	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	REAL300017563888	0	37	-1.0	-60.79	299.94	5.62	-55.17
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017563889	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	REAL300017563890	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	REAL300017563891	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	REAL300017563892	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	REAL300017563893	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	REAL300017563894	0	40	-1.0	-57.17	336.90	5.17	-52.00
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017563895	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	REAL300017563896	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	REAL300017563897	0	41	-1.0	-63.44	351.67	8.27	-55.17
COCC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563898	0	39	-1.0	-64.11	325.22	5.15	-58.96
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017563899	0	34	-1.0	-61.23	306.65	6.55	-54.68
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300017563900	0	41	-1.0	-52.46	354.71	5.50	-46.96
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563901	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	REAL300017563902	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	REAL300017563903	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	REAL300017563904	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	REAL300017563905	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	REAL300017563906	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	REAL300017563939	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	REAL300017563940	0	40	-1.0	-55.83	327.97	5.53	-50.30
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017563941	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-]	REAL300017563942	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	REAL300017563943	0	35	-1.0	-62.27	320.99	7.15	-55.12
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017563944	0	33	-1.0	-55.38	297.12	6.17	-49.21
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300017563945	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	REAL300017563946	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	REAL300017563947	0	36	-1.0	-57.92	321.89	5.64	-52.28
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563948	0	44	-1.0	-43.66	312.97	7.61	-36.05
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563949	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	REAL300017563950	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-]	REAL300017563951	0	41	-1.0	-54.25	348.70	7.35	-46.90
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C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017563953	0	38	-1.0	-60.09	339.85	6.23	-53.86
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COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300017563955	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	REAL300017563956	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-]	REAL300017563957	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-]	REAL300017563958	0	44	-1.0	-61.69	342.76	5.79	-55.90
CCOC(=O)N1CCC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300017563959	0	46	-1.0	-68.38	362.42	5.38	-63.00
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C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017563961	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	REAL300017563962	0	35	-1.0	-55.62	294.59	5.97	-49.65
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017563963	0	35	-1.0	-61.34	296.18	4.09	-57.25
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017563964	0	40	-1.0	-61.11	323.85	6.06	-55.05
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COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300017563967	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	REAL300017563968	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	REAL300017563969	0	42	-1.0	-47.77	344.90	6.40	-41.37
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CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017563973	0	34	-1.0	-37.98	301.45	5.14	-32.84
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C21	REAL300017563974	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)=C1Br	REAL300017563975	0	32	-1.0	-56.27	293.39	6.33	-49.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017563976	0	32	-1.0	-54.65	306.62	6.52	-48.13
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563977	0	42	-1.0	-52.73	323.24	6.61	-46.12
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1C#N	REAL300017563978	0	36	-1.0	-58.10	310.45	6.34	-51.76
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300017563979	0	38	-1.0	-57.15	329.77	6.13	-51.02
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563980	0	36	-1.0	-64.77	313.02	5.95	-58.82
COC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017563981	0	39	-1.0	-65.79	307.41	5.26	-60.53
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017563982	0	33	-1.0	-55.11	310.96	6.34	-48.77
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300017563983	0	39	-1.0	-62.89	323.23	5.79	-57.10
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017563984	0	38	-1.0	-43.64	338.09	5.61	-38.03
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300017563985	0	39	-1.0	-62.20	329.29	4.41	-57.79
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1OC	REAL300017563986	0	40	-1.0	-58.42	335.07	4.99	-53.43
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017563987	0	36	-1.0	-58.40	315.95	5.09	-53.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017563988	0	35	-1.0	-56.90	314.82	6.50	-50.40
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CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2S1	REAL300017563990	0	44	-1.0	-61.34	384.67	8.47	-52.87
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017563991	0	36	-1.0	-68.78	312.40	6.59	-62.19
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(Br)=C1	REAL300017563992	0	36	-1.0	-57.41	307.92	5.17	-52.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017563993	0	37	-1.0	-62.69	326.95	1.05	-61.64
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])OCO2	REAL300017563994	0	38	-1.0	-62.54	303.87	4.62	-57.92
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563995	0	38	-1.0	-45.25	314.25	5.94	-39.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017563996	0	32	-1.0	-54.75	293.21	6.29	-48.46
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563997	0	38	-1.0	-52.46	298.01	6.91	-45.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017563998	0	32	-1.0	-57.82	295.21	6.39	-51.43
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])OCC(=O)N2	REAL300017563999	0	42	-1.0	-65.58	347.08	2.67	-62.91
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)S1	REAL300017564000	0	30	-1.0	-55.46	281.08	4.98	-50.48
CC1=CC=C(CS(=O)(=O)N(C)CCCCC(=O)[O-])C=C1F	REAL300017587195	0	40	-1.0	-53.44	346.21	7.03	-46.41
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300017587196	0	38	-1.0	-57.76	340.88	6.78	-50.98
COC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC(F)=C1F	REAL300017587197	0	40	-1.0	-50.96	363.64	6.39	-44.57
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017587198	0	46	-1.0	-53.49	379.96	7.03	-46.46
CN(CCCCC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017587199	0	52	-1.0	-49.69	385.05	7.33	-42.36
CC1=NC2=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=CC=C2C=C1	REAL300017587200	0	42	-1.0	-57.45	352.54	7.24	-50.21
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017587201	0	42	-1.0	-53.65	360.64	7.50	-46.15
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017587202	0	45	-1.0	-53.21	375.17	4.18	-49.03
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587203	0	48	-1.0	-56.36	414.11	6.83	-49.53
CCCN1C=NC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587204	0	40	-1.0	-55.71	345.50	6.40	-49.31
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017587205	0	35	-1.0	-49.62	338.73	6.45	-43.17
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(C#N)SC=C1	REAL300017587206	0	32	-1.0	-56.69	300.71	4.79	-51.90
CN(CCCCC(=O)[O-])S(=O)(=O)CC1CCC(F)CC1	REAL300017587207	0	43	-1.0	-51.73	344.99	6.83	-44.90
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1Cl	REAL300017587208	0	37	-1.0	-47.97	331.35	6.66	-41.31
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017587209	0	40	-1.0	-52.60	344.00	6.56	-46.04
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C2)=N1	REAL300017587210	0	43	-1.0	-50.20	382.10	7.05	-43.15
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1F	REAL300017587211	0	40	-1.0	-55.34	367.93	6.67	-48.67
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587212	0	43	-1.0	-54.11	373.32	6.83	-47.28
CC1=C(Br)C=CC=C1CS(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587213	0	40	-1.0	-51.66	351.91	7.49	-44.17
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017587214	0	37	-1.0	-50.65	339.36	6.83	-43.82
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017587215	0	34	-1.0	-48.40	336.64	6.74	-41.66
CC1=CC(C(N)=O)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587216	0	41	-1.0	-61.17	353.93	3.08	-58.09
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587217	0	59	-1.0	-50.92	478.95	10.53	-40.39
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587218	0	49	-1.0	-54.42	405.73	7.91	-46.51
CCC1CCN(S(=O)(=O)N(C)CCCCC(=O)[O-])CC1	REAL300017587219	0	45	-1.0	-48.18	351.91	5.96	-42.22
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017587220	0	40	-1.0	-51.27	347.39	7.17	-44.10
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1F	REAL300017587221	0	40	-1.0	-50.50	346.54	7.13	-43.37
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017587222	0	40	-1.0	-49.88	353.66	7.47	-42.41
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587223	0	38	-1.0	-49.25	347.51	6.19	-43.06
COC1=CC2=C(C=C1S(=O)(=O)N(C)CCCCC(=O)[O-])C(=O)NCCC2	REAL300017587224	0	49	-1.0	-59.24	396.58	4.60	-54.64
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])S2)C1	REAL300017587225	0	45	-1.0	-57.03	388.94	6.09	-50.94
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017587226	0	41	-1.0	-51.85	365.72	8.00	-43.85
COC1CCN(S(=O)(=O)N(C)CCCCC(=O)[O-])CC1	REAL300017587227	0	43	-1.0	-49.30	346.85	3.78	-45.52
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017587228	0	37	-1.0	-50.38	342.58	6.95	-43.43
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587229	0	47	-1.0	-52.83	385.90	7.23	-45.60
CC(CC(F)(F)F)CS(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587230	0	39	-1.0	-51.42	330.95	5.81	-45.61
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017587231	0	41	-1.0	-60.27	364.42	7.38	-52.89
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C2)=N1	REAL300017587232	0	46	-1.0	-53.82	382.82	5.15	-48.67
COC1=CC(F)=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587233	0	38	-1.0	-50.49	326.91	5.59	-44.90
COC(=O)C1=C(C)C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])O1	REAL300017587234	0	40	-1.0	-53.16	355.45	5.02	-48.14
CCC1=NC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CN1CC1CC1	REAL300017587235	0	47	-1.0	-55.23	392.13	7.44	-47.79
CC(=O)N1CC2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C2C1	REAL300017587236	0	45	-1.0	-56.36	381.81	6.15	-50.21
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017587237	0	37	-1.0	-50.44	337.75	5.15	-45.29
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017587238	0	37	-1.0	-60.63	347.48	5.45	-55.18
CCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(C)C	REAL300017587239	0	53	-1.0	-48.66	427.33	8.62	-40.04
CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017587240	0	42	-1.0	-53.46	353.10	7.64	-45.82
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300017587241	0	41	-1.0	-50.05	340.69	5.42	-44.63
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017587242	0	47	-1.0	-49.48	393.59	7.79	-41.69
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017587243	0	48	-1.0	-54.80	413.34	8.92	-45.88
COC(CS(=O)(=O)N(C)CCCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300017587244	0	44	-1.0	-52.28	379.32	6.78	-45.50
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017587245	0	46	-1.0	-53.00	379.81	7.01	-45.99
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Cl	REAL300017587246	0	42	-1.0	-50.64	377.77	4.46	-46.18
COC(=O)C1=CC=CC2=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=CC=C12	REAL300017587247	0	46	-1.0	-54.19	383.17	8.17	-46.02
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C	REAL300017587248	0	45	-1.0	-51.22	381.58	4.76	-46.46
CN(CCCCC(=O)[O-])S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017587249	0	43	-1.0	-51.80	346.72	6.87	-44.93
CCOC1(CS(=O)(=O)N(C)CCCCC(=O)[O-])CCOCC1	REAL300017587250	0	48	-1.0	-53.42	375.11	4.42	-49.00
CCOC(CS(=O)(=O)N(C)CCCCC(=O)[O-])C1CC1	REAL300017587251	0	44	-1.0	-53.10	361.59	5.97	-47.13
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1F	REAL300017587252	0	40	-1.0	-55.38	357.60	6.23	-49.15
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C(Cl)C=C21	REAL300017587253	0	45	-1.0	-61.43	380.79	6.89	-54.54
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300017587254	0	37	-1.0	-50.34	340.98	4.23	-46.11
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017587255	0	45	-1.0	-49.69	396.51	9.67	-40.02
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587256	0	37	-1.0	-48.19	331.70	6.73	-41.46
CC1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1Br	REAL300017587257	0	37	-1.0	-50.64	325.86	6.63	-44.01
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587258	0	40	-1.0	-60.61	357.46	6.85	-53.76
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017587259	0	42	-1.0	-51.42	356.05	3.40	-48.02
COC1=CC(Br)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587260	0	38	-1.0	-50.43	348.81	5.57	-44.86
COC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017587261	0	40	-1.0	-51.63	351.40	6.31	-45.32
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587262	0	40	-1.0	-52.88	343.84	7.14	-45.74
COCCN1C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=N1	REAL300017587263	0	41	-1.0	-53.51	357.76	3.25	-50.26
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587264	0	47	-1.0	-50.84	387.83	7.17	-43.67
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017587265	0	41	-1.0	-56.26	362.97	6.15	-50.11
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017587266	0	42	-1.0	-54.82	369.19	7.77	-47.05
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017587267	0	34	-1.0	-49.95	322.88	6.22	-43.73
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017587268	0	37	-1.0	-50.10	331.22	6.42	-43.68
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017587269	0	41	-1.0	-58.99	360.57	3.44	-55.55
CCN1C(=O)OC2=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C21	REAL300017587270	0	43	-1.0	-57.39	373.94	6.61	-50.78
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587271	0	37	-1.0	-50.60	330.50	6.96	-43.64
COCC1=CC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587272	0	41	-1.0	-52.72	346.40	5.90	-46.82
COC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1Br	REAL300017587273	0	38	-1.0	-48.97	345.80	5.54	-43.43
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017587274	0	37	-1.0	-55.65	360.28	2.58	-53.07
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017587275	0	37	-1.0	-53.88	341.97	4.71	-49.17
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017587276	0	45	-1.0	-51.02	375.47	6.91	-44.11
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300017587277	0	42	-1.0	-54.50	374.82	2.34	-52.16
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1F	REAL300017587278	0	45	-1.0	-53.66	396.29	3.23	-50.43
CCC(=O)NCC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1OC	REAL300017587279	0	51	-1.0	-53.35	426.79	4.73	-48.62
CCC1=CC=C(CS(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587280	0	43	-1.0	-52.99	364.15	7.83	-45.16
COC1=CC=C(Br)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587281	0	38	-1.0	-52.07	333.46	5.19	-46.88
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017587282	0	49	-1.0	-49.46	409.61	6.01	-43.45
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587283	0	43	-1.0	-55.52	378.04	3.99	-51.53
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017587284	0	36	-1.0	-48.78	344.19	5.49	-43.29
CC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1Br	REAL300017587285	0	39	-1.0	-51.22	354.94	6.68	-44.54
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587286	0	39	-1.0	-57.69	345.92	6.40	-51.29
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300017587287	0	35	-1.0	-50.03	340.74	6.61	-43.42
CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Br	REAL300017587288	0	41	-1.0	-52.33	367.65	6.45	-45.88
CN(CCCCC(=O)[O-])S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017587289	0	48	-1.0	-55.69	412.98	5.03	-50.66
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017587290	0	37	-1.0	-54.99	331.89	6.45	-48.54
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587291	0	47	-1.0	-51.75	405.59	7.33	-44.42
CN(CCCCC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1	REAL300017587292	0	43	-1.0	-49.75	344.82	3.83	-45.92
COC1=C(C)C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C	REAL300017587293	0	44	-1.0	-50.70	369.24	6.45	-44.25
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587294	0	50	-1.0	-50.86	410.53	7.93	-42.93
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017587295	0	48	-1.0	-50.20	392.05	7.84	-42.36
CC(C)COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587296	0	47	-1.0	-51.05	391.56	7.33	-43.72
CCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587297	0	44	-1.0	-51.09	371.46	6.63	-44.46
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Cl	REAL300017587298	0	38	-1.0	-52.46	341.39	5.41	-47.05
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017587299	0	38	-1.0	-51.58	351.15	5.69	-45.89
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C	REAL300017587300	0	41	-1.0	-50.50	345.45	5.61	-44.89
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1OC(C)C	REAL300017587301	0	47	-1.0	-48.95	385.23	7.16	-41.79
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1	REAL300017587302	0	41	-1.0	-51.07	334.32	5.36	-45.71
COCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587303	0	45	-1.0	-53.68	383.59	5.10	-48.58
COCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C	REAL300017587304	0	48	-1.0	-51.18	400.92	5.80	-45.38
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300017587305	0	37	-1.0	-54.74	324.79	6.35	-48.39
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587306	0	45	-1.0	-61.97	386.62	5.23	-56.74
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017587307	0	49	-1.0	-56.22	400.54	5.02	-51.20
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587308	0	44	-1.0	-63.19	367.68	5.41	-57.78
CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(Br)=C1	REAL300017587309	0	37	-1.0	-51.69	325.39	6.56	-45.13
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300017587310	0	40	-1.0	-60.00	363.95	3.43	-56.57
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587311	0	40	-1.0	-58.36	360.57	7.85	-50.51
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017587312	0	35	-1.0	-51.93	332.09	6.37	-45.56
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587313	0	37	-1.0	-48.70	325.77	6.67	-42.03
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1C	REAL300017587314	0	42	-1.0	-63.34	336.61	8.35	-54.99
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587315	0	40	-1.0	-53.87	357.94	6.56	-47.31
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587316	0	43	-1.0	-59.42	365.56	3.58	-55.84
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300017587317	0	38	-1.0	-55.23	346.92	7.56	-47.67
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300017587318	0	35	-1.0	-48.34	332.11	6.37	-41.97
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587319	0	50	-1.0	-56.06	409.59	7.34	-48.72
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017587320	0	46	-1.0	-54.85	407.02	3.50	-51.35
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587321	0	42	-1.0	-55.45	375.23	1.78	-53.67
CC(=O)NCCC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])S1	REAL300017587322	0	44	-1.0	-59.36	394.12	4.57	-54.79
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])O1	REAL300017587323	0	37	-1.0	-53.15	337.56	4.44	-48.71
CC1=NC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])S1	REAL300017587324	0	36	-1.0	-51.86	324.52	4.14	-47.72
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017587325	0	36	-1.0	-60.17	320.17	7.23	-52.94
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017587326	0	37	-1.0	-52.23	354.68	7.41	-44.82
CCOC(=O)C1=C(C)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C(C)N1	REAL300017587327	0	47	-1.0	-51.36	393.63	6.31	-45.05
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017587328	0	34	-1.0	-50.65	311.67	6.39	-44.26
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])S2)=CS1	REAL300017587329	0	40	-1.0	-52.26	377.46	6.20	-46.06
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017587330	0	54	-1.0	-50.90	433.19	9.22	-41.68
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017587331	0	44	-1.0	-58.46	393.14	5.14	-53.32
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587332	0	43	-1.0	-58.11	359.61	6.77	-51.34
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017587333	0	36	-1.0	-58.42	333.97	7.87	-50.55
COC1=CC(F)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1OC	REAL300017587334	0	42	-1.0	-52.84	356.97	4.76	-48.08
COC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1OC	REAL300017587335	0	45	-1.0	-52.08	363.40	5.27	-46.81
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017587336	0	36	-1.0	-52.05	334.93	7.64	-44.41
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587337	0	42	-1.0	-56.77	353.57	7.36	-49.41
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017587338	0	37	-1.0	-57.68	336.98	6.55	-51.13
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300017587339	0	39	-1.0	-53.16	338.46	1.72	-51.44
CC1=CC(Cl)=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587340	0	37	-1.0	-48.73	321.13	6.56	-42.17
CCOC(=O)C1CCCN1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587341	0	45	-1.0	-58.06	376.09	6.11	-51.95
CNC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CN1C	REAL300017587342	0	42	-1.0	-53.30	360.41	3.21	-50.09
COC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1	REAL300017587343	0	44	-1.0	-48.21	345.60	6.15	-42.06
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017587344	0	42	-1.0	-54.64	361.34	5.03	-49.61
COC(=O)C1=CC=C(CS(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587345	0	43	-1.0	-55.54	376.08	7.06	-48.48
COC(=O)C1CCN(S(=O)(=O)N(C)CCCCC(=O)[O-])CC1	REAL300017587346	0	45	-1.0	-51.76	369.06	5.40	-46.36
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017587347	0	45	-1.0	-53.27	371.37	5.71	-47.56
COC(=O)C1=CC=CC(CS(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587348	0	43	-1.0	-54.58	374.30	6.97	-47.61
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])O1	REAL300017587349	0	40	-1.0	-53.04	359.42	5.37	-47.67
COC(=O)CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587350	0	47	-1.0	-53.61	405.42	6.68	-46.93
COC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C	REAL300017587351	0	44	-1.0	-52.30	354.34	6.16	-46.14
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017587352	0	38	-1.0	-53.00	334.27	5.95	-47.05
CCOC(=O)CCCS(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587353	0	42	-1.0	-55.40	358.39	5.80	-49.60
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017587354	0	37	-1.0	-53.17	326.60	7.21	-45.96
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017587355	0	36	-1.0	-58.14	338.54	7.96	-50.18
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587356	0	39	-1.0	-63.85	323.02	7.76	-56.09
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017587357	0	36	-1.0	-49.94	332.42	6.57	-43.37
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Br)C=CS1	REAL300017587358	0	31	-1.0	-49.85	304.53	5.09	-44.76
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017587359	0	38	-1.0	-51.74	328.83	5.82	-45.92
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300017587360	0	42	-1.0	-50.70	335.67	6.53	-44.17
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017587361	0	36	-1.0	-55.52	332.92	5.04	-50.48
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017587362	0	42	-1.0	-51.36	357.97	4.73	-46.63
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017587363	0	33	-1.0	-50.03	325.76	5.03	-45.00
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017587364	0	36	-1.0	-51.32	326.52	6.22	-45.10
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017587365	0	36	-1.0	-51.53	340.28	6.69	-44.84
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587366	0	43	-1.0	-58.09	378.94	4.12	-53.97
CCN1C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300017587367	0	39	-1.0	-54.02	341.81	6.18	-47.84
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017587368	0	36	-1.0	-64.87	332.81	7.05	-57.82
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017587369	0	36	-1.0	-49.06	333.24	6.34	-42.72
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017587370	0	41	-1.0	-52.37	366.80	6.26	-46.11
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017587371	0	36	-1.0	-58.87	339.72	8.13	-50.74
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017587372	0	48	-1.0	-51.54	407.13	8.85	-42.69
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300017587373	0	42	-1.0	-60.79	371.82	2.26	-58.53
CCC(=O)C1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587374	0	42	-1.0	-60.41	358.95	6.84	-53.57
CCOC(=O)N1CCN(S(=O)(=O)N(C)CCCCC(=O)[O-])CC1	REAL300017587375	0	47	-1.0	-52.47	385.40	4.45	-48.02
COC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017587376	0	43	-1.0	-53.11	373.92	6.75	-46.36
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017587377	0	44	-1.0	-52.33	383.99	7.21	-45.12
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017587378	0	37	-1.0	-66.76	326.20	4.84	-61.92
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587379	0	56	-1.0	-48.00	431.42	8.44	-39.56
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300017587380	0	42	-1.0	-56.28	372.18	2.32	-53.96
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1	REAL300017587381	0	37	-1.0	-51.14	325.89	6.39	-44.75
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300017587382	0	40	-1.0	-54.43	360.98	3.11	-51.32
CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=CC=CC=C12	REAL300017587383	0	47	-1.0	-54.61	387.48	8.29	-46.32
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587384	0	44	-1.0	-52.98	363.63	7.10	-45.88
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017587385	0	39	-1.0	-59.17	346.29	5.83	-53.34
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017587386	0	41	-1.0	-54.42	358.58	6.75	-47.67
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017587387	0	36	-1.0	-55.89	340.30	6.70	-49.19
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300017587388	0	35	-1.0	-61.87	322.57	6.24	-55.63
CCOCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587389	0	48	-1.0	-53.59	405.44	6.07	-47.52
CCCCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587390	0	50	-1.0	-50.92	414.45	8.19	-42.73
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017587391	0	36	-1.0	-59.39	331.16	7.76	-51.63
COC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1F	REAL300017587392	0	40	-1.0	-50.99	355.21	6.24	-44.75
COC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C(Cl)C=C1Cl	REAL300017587393	0	40	-1.0	-50.11	371.52	6.99	-43.12
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587394	0	44	-1.0	-55.51	375.16	6.17	-49.34
COC(=O)CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])S1	REAL300017587395	0	40	-1.0	-56.45	367.37	6.25	-50.20
COC(=O)C1=CSC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587396	0	37	-1.0	-52.02	346.06	5.30	-46.72
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587397	0	46	-1.0	-53.78	375.90	7.22	-46.56
COC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1Cl	REAL300017587398	0	40	-1.0	-49.80	363.19	6.61	-43.19
COC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1C	REAL300017587399	0	43	-1.0	-49.63	366.69	6.75	-42.88
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587400	0	40	-1.0	-54.48	353.03	6.20	-48.28
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017587401	0	44	-1.0	-53.54	354.95	8.46	-45.08
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017587402	0	40	-1.0	-54.47	344.11	7.40	-47.07
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300017587403	0	33	-1.0	-48.03	312.25	4.37	-43.66
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017587404	0	38	-1.0	-49.00	354.99	7.07	-41.93
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2COCC2=C1	REAL300017587405	0	39	-1.0	-49.41	331.89	4.87	-44.54
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017587406	0	39	-1.0	-51.47	348.68	1.11	-50.36
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300017587407	0	48	-1.0	-50.65	408.91	7.53	-43.12
COC(=O)CC1(CS(=O)(=O)N(C)CCCCC(=O)[O-])CC1	REAL300017587408	0	43	-1.0	-52.36	363.46	6.16	-46.20
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587409	0	39	-1.0	-59.32	357.94	6.10	-53.22
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C(F)C=C1F	REAL300017587410	0	37	-1.0	-47.02	324.90	6.25	-40.77
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587411	0	41	-1.0	-51.44	360.00	6.71	-44.73
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C21	REAL300017587412	0	46	-1.0	-52.58	388.73	7.18	-45.40
CCCCCCN1C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(=O)NC1=O	REAL300017587413	0	52	-1.0	-60.60	430.23	6.32	-54.28
CC1=CN(C2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C2F)N=C1	REAL300017587414	0	44	-1.0	-52.11	380.48	7.60	-44.51
COC(=O)C1=CC(OC)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])S1	REAL300017587415	0	41	-1.0	-55.26	375.85	4.85	-50.41
CCS(=O)(=O)NCCS(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587416	0	41	-1.0	-59.88	359.57	0.34	-59.54
CC1=CC(F)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1F	REAL300017587417	0	37	-1.0	-50.82	325.01	6.26	-44.56
CC1=CC(Cl)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017587418	0	39	-1.0	-53.14	348.27	7.15	-45.99
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300017587419	0	31	-1.0	-51.40	302.39	4.38	-47.02
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300017587420	0	40	-1.0	-52.73	350.73	6.96	-45.77
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017587421	0	31	-1.0	-47.99	319.13	5.72	-42.27
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017587422	0	37	-1.0	-50.91	343.34	7.14	-43.77
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017587423	0	37	-1.0	-50.67	353.65	7.58	-43.09
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017587424	0	40	-1.0	-52.90	361.50	8.38	-44.52
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017587425	0	37	-1.0	-48.24	344.57	7.33	-40.91
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017587426	0	40	-1.0	-49.92	339.50	8.30	-41.62
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017587427	0	40	-1.0	-52.98	349.25	8.15	-44.83
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300017587428	0	45	-1.0	-51.54	401.22	4.51	-47.03
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CN1C	REAL300017587429	0	44	-1.0	-51.16	379.48	6.59	-44.57
CCOC(=O)C1CC2=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C2O1	REAL300017587430	0	48	-1.0	-54.97	411.50	7.88	-47.09
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300017587431	0	40	-1.0	-55.39	360.99	3.11	-52.28
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300017587432	0	43	-1.0	-58.60	388.67	5.59	-53.01
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300017587433	0	47	-1.0	-56.96	403.30	7.14	-49.82
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])SC2=CC=CC(F)=C12	REAL300017587434	0	40	-1.0	-51.51	351.95	7.57	-43.94
CN(CCCCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017587435	0	45	-1.0	-58.48	395.73	2.66	-55.82
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017587436	0	35	-1.0	-50.25	323.85	6.20	-44.05
CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1N(C)C	REAL300017587437	0	45	-1.0	-49.48	370.48	6.22	-43.26
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)N1C	REAL300017587438	0	34	-1.0	-51.33	316.97	4.47	-46.86
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587439	0	39	-1.0	-50.37	345.37	7.11	-43.26
CSC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Cl	REAL300017587440	0	38	-1.0	-52.17	351.08	7.03	-45.14
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300017587441	0	34	-1.0	-57.92	318.19	4.49	-53.43
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300017587442	0	37	-1.0	-63.85	338.56	6.45	-57.40
CN(CCCCC(=O)[O-])S(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017587443	0	46	-1.0	-53.18	396.80	8.08	-45.10
CN(C)C1=CC=C(Br)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587444	0	42	-1.0	-52.14	355.22	6.29	-45.85
CC1=NN2C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=NC2=C1Cl	REAL300017587445	0	39	-1.0	-52.38	358.29	5.58	-46.80
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587446	0	40	-1.0	-59.23	359.25	7.84	-51.39
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587447	0	46	-1.0	-51.05	367.26	5.95	-45.10
CCC1=NOC2=NC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C12	REAL300017587448	0	41	-1.0	-54.78	359.85	3.32	-51.46
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017587449	0	39	-1.0	-50.06	351.07	6.97	-43.09
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587450	0	40	-1.0	-59.28	348.92	7.40	-51.88
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017587451	0	37	-1.0	-66.40	326.39	5.14	-61.26
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017587452	0	37	-1.0	-48.86	352.93	7.39	-41.47
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300017587453	0	42	-1.0	-64.27	369.01	3.74	-60.53
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017587454	0	33	-1.0	-47.96	316.90	4.58	-43.38
COC(=O)C1CCCCC1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587455	0	46	-1.0	-51.42	359.60	6.28	-45.14
COC(=O)C1(C2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C2)CC1	REAL300017587456	0	47	-1.0	-54.28	396.95	8.23	-46.05
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300017587457	0	41	-1.0	-59.18	343.80	5.69	-53.49
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300017587458	0	38	-1.0	-53.37	357.09	7.11	-46.26
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017587459	0	40	-1.0	-50.09	366.62	3.72	-46.37
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587460	0	38	-1.0	-49.36	347.51	6.19	-43.17
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017587461	0	43	-1.0	-60.20	364.10	9.45	-50.75
CCC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C(C(=O)OC)O1	REAL300017587462	0	43	-1.0	-51.34	378.82	5.97	-45.37
CN(CCCCC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017587463	0	51	-1.0	-57.86	409.40	7.49	-50.37
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1F	REAL300017587464	0	41	-1.0	-52.24	339.08	5.40	-46.84
CN(CCCCC(=O)[O-])S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017587465	0	54	-1.0	-58.48	412.10	7.18	-51.30
CN(CCCCC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017587466	0	48	-1.0	-55.98	386.94	5.75	-50.23
CN(CCCCC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017587467	0	45	-1.0	-51.08	391.63	6.24	-44.84
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587468	0	42	-1.0	-58.18	373.24	8.17	-50.01
CN(CCCCC(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1	REAL300017587469	0	44	-1.0	-57.70	352.50	6.57	-51.13
CN(CCCCC(=O)[O-])S(=O)(=O)CC1(C)CCCCC1	REAL300017587470	0	46	-1.0	-51.20	347.35	7.18	-44.02
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017587471	0	43	-1.0	-52.23	357.44	6.99	-45.24
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017587472	0	37	-1.0	-53.47	335.94	4.54	-48.93
COC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1F	REAL300017587473	0	38	-1.0	-49.54	331.61	4.94	-44.60
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587474	0	45	-1.0	-50.72	371.84	5.64	-45.08
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587475	0	48	-1.0	-52.19	402.36	6.78	-45.41
CC(C)C1=CC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587476	0	43	-1.0	-51.54	342.77	7.20	-44.34
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017587477	0	48	-1.0	-52.95	406.07	9.04	-43.91
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C2O1	REAL300017587478	0	49	-1.0	-52.15	419.59	8.25	-43.90
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587479	0	46	-1.0	-53.85	381.43	7.63	-46.22
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017587480	0	34	-1.0	-50.92	323.59	6.38	-44.54
CC1=C(Cl)SC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587481	0	34	-1.0	-49.84	327.59	5.83	-44.01
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(F)=C1	REAL300017587482	0	38	-1.0	-53.42	327.77	4.85	-48.57
CC1=CC=C(C)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1[N+](=O)[O-]	REAL300017587483	0	42	-1.0	-59.34	343.77	8.26	-51.08
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017587484	0	40	-1.0	-52.86	359.61	7.39	-45.47
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017587485	0	44	-1.0	-48.60	375.20	8.11	-40.49
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587486	0	42	-1.0	-56.14	365.80	3.82	-52.32
CN(C)C1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587487	0	42	-1.0	-50.08	347.40	5.96	-44.12
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017587488	0	40	-1.0	-53.39	344.35	6.12	-47.27
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017587490	0	37	-1.0	-52.59	328.08	6.43	-46.16
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017587491	0	37	-1.0	-48.08	353.47	7.16	-40.92
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017587492	0	37	-1.0	-50.72	337.04	6.55	-44.17
CC1=CC(Br)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587493	0	37	-1.0	-50.72	340.71	6.93	-43.79
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587494	0	45	-1.0	-60.63	375.90	4.66	-55.97
CSC1=CC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587495	0	38	-1.0	-53.17	324.35	6.28	-46.89
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587496	0	45	-1.0	-66.92	382.29	5.55	-61.37
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017587497	0	46	-1.0	-57.15	392.52	5.52	-51.63
COC1=C(F)C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017587498	0	40	-1.0	-49.66	361.49	6.48	-43.18
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017587499	0	44	-1.0	-50.28	386.57	4.92	-45.36
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(OC)=C1	REAL300017587500	0	44	-1.0	-53.01	375.19	6.18	-46.83
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587501	0	37	-1.0	-48.15	331.70	6.74	-41.41
CC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017587502	0	42	-1.0	-53.16	353.72	7.59	-45.57
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017587503	0	42	-1.0	-57.99	359.37	6.85	-51.14
CN(CCCCC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017587504	0	40	-1.0	-57.89	335.42	1.94	-55.95
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300017587505	0	44	-1.0	-55.78	378.26	6.56	-49.22
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017587506	0	39	-1.0	-58.14	344.12	5.75	-52.39
COC1=CC(F)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(F)=C1	REAL300017587507	0	38	-1.0	-51.45	332.56	5.11	-46.34
CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1	REAL300017587508	0	44	-1.0	-50.81	356.17	6.28	-44.53
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587509	0	42	-1.0	-60.11	372.49	1.74	-58.37
CN(CCCCC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O	REAL300017587510	0	36	-1.0	-59.79	323.22	0.86	-58.93
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587511	0	43	-1.0	-60.09	370.62	7.40	-52.69
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017587512	0	38	-1.0	-51.81	330.27	5.79	-46.02
CSC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587513	0	38	-1.0	-51.33	338.81	6.63	-44.70
CCCOC(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587514	0	46	-1.0	-52.02	396.74	7.99	-44.03
CCC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587515	0	44	-1.0	-58.70	375.27	5.31	-53.39
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017587516	0	40	-1.0	-51.10	358.54	7.34	-43.76
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587517	0	45	-1.0	-50.70	363.29	7.22	-43.48
CCN1C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])N=C1C	REAL300017587518	0	40	-1.0	-55.53	343.56	5.45	-50.08
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017587519	0	33	-1.0	-48.49	316.62	4.50	-43.99
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017587520	0	40	-1.0	-53.09	335.28	5.30	-47.79
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017587521	0	39	-1.0	-55.04	332.40	6.15	-48.89
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017587522	0	46	-1.0	-51.87	385.55	7.43	-44.44
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017587523	0	34	-1.0	-51.30	304.99	5.56	-45.74
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017587524	0	34	-1.0	-50.84	319.60	6.17	-44.67
CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(F)(F)F	REAL300017587525	0	40	-1.0	-47.58	350.30	7.09	-40.49
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017587526	0	40	-1.0	-54.43	370.85	6.41	-48.02
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C12	REAL300017587527	0	42	-1.0	-52.09	364.34	5.38	-46.71
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017587528	0	37	-1.0	-49.90	346.11	6.98	-42.92
CC1=NOC2=NC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C12	REAL300017587529	0	38	-1.0	-52.49	338.37	2.58	-49.91
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017587530	0	43	-1.0	-52.67	380.16	8.45	-44.22
COCC1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587531	0	41	-1.0	-51.02	350.94	5.29	-45.73
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017587532	0	36	-1.0	-50.61	332.19	6.56	-44.05
COC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C(C(=O)OC)S1	REAL300017587533	0	43	-1.0	-57.81	395.77	6.85	-50.96
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587534	0	40	-1.0	-58.61	350.25	7.40	-51.21
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017587535	0	37	-1.0	-52.98	333.06	6.77	-46.21
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017587536	0	46	-1.0	-59.29	392.45	4.07	-55.22
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017587537	0	41	-1.0	-52.63	367.26	6.19	-46.44
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017587538	0	34	-1.0	-50.05	324.53	6.54	-43.51
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017587539	0	42	-1.0	-51.22	367.69	3.06	-48.16
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1F	REAL300017587570	0	43	-1.0	-50.69	377.07	7.17	-43.52
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017587571	0	42	-1.0	-60.79	361.86	6.70	-54.09
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017587572	0	34	-1.0	-50.42	309.64	5.98	-44.44
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587573	0	53	-1.0	-58.66	420.48	9.63	-49.03
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017587574	0	37	-1.0	-52.54	348.17	7.28	-45.26
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017587575	0	35	-1.0	-49.71	325.09	6.34	-43.37
CC(=O)NC1=CC(F)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Cl	REAL300017587576	0	41	-1.0	-55.77	368.42	5.06	-50.71
CC1CC2=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C2O1	REAL300017587577	0	42	-1.0	-51.48	355.06	6.25	-45.23
COC1=CC(Cl)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Cl	REAL300017587578	0	38	-1.0	-50.37	349.85	5.81	-44.56
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587579	0	46	-1.0	-48.61	348.86	8.42	-40.19
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587580	0	46	-1.0	-56.64	377.67	4.18	-52.46
COC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CS1	REAL300017587581	0	37	-1.0	-56.20	343.38	5.26	-50.94
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587582	0	43	-1.0	-58.32	382.88	8.34	-49.98
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017587583	0	45	-1.0	-51.44	404.02	8.96	-42.48
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017587584	0	40	-1.0	-52.53	364.44	6.34	-46.19
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017587585	0	40	-1.0	-54.13	381.16	6.86	-47.27
COC(=O)C1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1C	REAL300017587586	0	43	-1.0	-54.64	361.66	6.97	-47.67
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017587587	0	36	-1.0	-48.59	348.13	6.90	-41.69
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587588	0	38	-1.0	-47.68	350.36	6.36	-41.32
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587589	0	46	-1.0	-51.16	373.26	6.13	-45.03
CCOC(=O)N1CCC(S(=O)(=O)N(C)CCCCC(=O)[O-])CC1	REAL300017587590	0	48	-1.0	-55.52	389.57	5.62	-49.90
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C2)=CO1	REAL300017587591	0	43	-1.0	-56.15	372.25	4.63	-51.52
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017587592	0	33	-1.0	-47.65	323.04	4.65	-43.00
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017587593	0	37	-1.0	-54.88	327.77	6.04	-48.84
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017587594	0	37	-1.0	-50.95	324.06	4.31	-46.64
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCN12	REAL300017587595	0	38	-1.0	-49.97	323.03	5.02	-44.95
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017587596	0	42	-1.0	-49.35	349.58	6.20	-43.15
COC1=CC=C(Cl)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587597	0	38	-1.0	-52.69	332.71	5.21	-47.48
COC(=O)C1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=CC=CC=C2S1	REAL300017587598	0	43	-1.0	-55.85	381.75	8.29	-47.56
COC(=O)CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587599	0	43	-1.0	-56.35	375.57	7.05	-49.30
CN(CCCCC(=O)[O-])S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017587600	0	41	-1.0	-52.31	343.24	7.57	-44.74
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CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017587607	0	34	-1.0	-49.47	322.44	6.52	-42.95
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COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587609	0	44	-1.0	-52.98	355.54	7.17	-45.81
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1C#N	REAL300017587610	0	38	-1.0	-49.79	335.85	6.47	-43.32
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CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017587614	0	35	-1.0	-51.85	336.37	6.46	-45.39
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COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])S1	REAL300017587616	0	40	-1.0	-50.01	370.25	6.35	-43.66
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1F	REAL300017587617	0	41	-1.0	-53.53	357.07	4.58	-48.95
COC1=CC(Cl)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1OC	REAL300017587618	0	42	-1.0	-51.07	363.03	5.16	-45.91
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017587619	0	38	-1.0	-52.39	341.35	5.21	-47.18
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017587620	0	37	-1.0	-47.34	340.21	6.63	-40.71
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CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C2S1	REAL300017587622	0	46	-1.0	-53.81	410.50	8.61	-45.20
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017587623	0	38	-1.0	-53.99	338.13	6.73	-47.26
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(Br)=C1	REAL300017587624	0	38	-1.0	-49.89	336.17	5.35	-44.54
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017587625	0	39	-1.0	-57.91	354.78	1.26	-56.65
CC1=CC2=C(C=C1S(=O)(=O)N(C)CCCCC(=O)[O-])OCO2	REAL300017587626	0	40	-1.0	-50.93	330.68	4.72	-46.21
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587627	0	40	-1.0	-49.65	341.74	6.83	-42.82
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017587628	0	34	-1.0	-47.98	321.06	6.45	-41.53
CC1=CC(F)=CC(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587629	0	40	-1.0	-47.10	322.58	6.93	-40.17
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017587630	0	34	-1.0	-49.59	320.71	6.41	-43.18
COC1=CC2=C(C=C1S(=O)(=O)N(C)CCCCC(=O)[O-])OCC(=O)N2	REAL300017587631	0	44	-1.0	-53.83	371.16	2.74	-51.09
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)S1	REAL300017587632	0	32	-1.0	-51.23	310.51	5.20	-46.03
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017587633	0	35	-1.0	-55.77	318.88	4.11	-51.66
COC1=CN=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587634	0	37	-1.0	-50.38	320.49	3.03	-47.35
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017587635	0	34	-1.0	-50.59	319.30	6.10	-44.49
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1OC	REAL300017587636	0	44	-1.0	-52.19	377.94	6.29	-45.90
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017587637	0	38	-1.0	-57.22	349.27	2.94	-54.28
CCOC1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587638	0	41	-1.0	-52.71	347.24	5.79	-46.92
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017587639	0	45	-1.0	-53.37	374.66	6.89	-46.48
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017587640	0	38	-1.0	-49.02	352.53	6.75	-42.27
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017587678	0	35	-1.0	-60.79	332.08	6.60	-54.19
CC1=CC=C(C#N)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587679	0	38	-1.0	-54.83	325.66	6.51	-48.32
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(=O)N(C)C	REAL300017587680	0	48	-1.0	-53.93	384.61	5.42	-48.51
CC1CC2=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC(Cl)=C2O1	REAL300017587681	0	42	-1.0	-47.94	369.67	6.69	-41.25
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017587682	0	39	-1.0	-49.47	340.09	6.75	-42.72
CC1=CC=C(Br)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587683	0	37	-1.0	-51.70	325.62	6.57	-45.13
COC(=O)C1=COC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587684	0	37	-1.0	-53.85	337.89	4.39	-49.46
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=N1	REAL300017587685	0	45	-1.0	-57.45	385.75	6.39	-51.06
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017587686	0	36	-1.0	-52.51	330.01	5.13	-47.38
CC(=O)N(C)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587687	0	44	-1.0	-57.31	376.85	6.26	-51.05
COC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])SC=C1	REAL300017587688	0	35	-1.0	-54.16	314.40	3.81	-50.35
CC(=O)NC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1C	REAL300017587689	0	44	-1.0	-57.26	370.47	5.37	-51.89
CN(CCCCC(=O)[O-])S(=O)(=O)CCCC(F)(F)F	REAL300017587690	0	36	-1.0	-52.21	320.71	5.24	-46.97
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017587691	0	39	-1.0	-59.37	342.84	5.66	-53.71
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017587692	0	40	-1.0	-54.07	337.72	3.42	-50.65
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017587693	0	46	-1.0	-52.44	372.23	6.20	-46.24
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017587694	0	36	-1.0	-51.23	332.74	4.88	-46.35
CC1=CC=C(Cl)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587695	0	37	-1.0	-51.92	322.96	6.50	-45.42
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587696	0	42	-1.0	-53.14	347.88	6.09	-47.05
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CN=C1Cl	REAL300017587697	0	36	-1.0	-49.01	328.66	4.86	-44.15
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017587698	0	40	-1.0	-54.00	347.23	4.63	-49.37
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017587699	0	33	-1.0	-55.03	317.29	5.34	-49.69
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017587700	0	43	-1.0	-51.10	371.00	7.29	-43.81
CC1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1C#N	REAL300017587701	0	38	-1.0	-59.70	335.28	6.58	-53.12
COC1=CC(OC)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587702	0	42	-1.0	-53.31	356.99	4.25	-49.06
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017587703	0	35	-1.0	-52.38	324.01	6.30	-46.08
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017587704	0	40	-1.0	-56.33	346.28	6.99	-49.34
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300017587705	0	42	-1.0	-54.45	343.22	7.12	-47.33
CCC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1CC	REAL300017587706	0	46	-1.0	-49.50	372.94	8.13	-41.37
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587707	0	42	-1.0	-48.53	344.35	7.51	-41.02
CC1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1Cl	REAL300017587708	0	37	-1.0	-50.88	323.03	6.50	-44.38
COC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C(C)O1	REAL300017587709	0	40	-1.0	-51.46	349.30	5.00	-46.46
CC1=C(C)SC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587710	0	37	-1.0	-51.44	330.97	6.03	-45.41
CC1=CC=CC(F)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587711	0	37	-1.0	-51.96	311.57	6.41	-45.55
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017587712	0	35	-1.0	-49.72	318.50	3.50	-46.22
CCC1=NC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])S1	REAL300017587713	0	36	-1.0	-50.28	328.02	4.23	-46.05
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017587714	0	40	-1.0	-57.49	348.32	7.09	-50.40
COC(=O)C1=NSC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587715	0	36	-1.0	-60.32	333.11	4.40	-55.92
COC(=O)C1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])SC=N1	REAL300017587716	0	36	-1.0	-53.05	336.64	3.40	-49.65
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC(C)=C1F	REAL300017587717	0	40	-1.0	-49.31	345.05	6.99	-42.32
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017587718	0	42	-1.0	-58.16	357.62	4.11	-54.05
CN(CCCCC(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017587719	0	45	-1.0	-50.03	358.83	3.57	-46.46
COC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CN1C	REAL300017587720	0	41	-1.0	-51.49	357.62	5.66	-45.83
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017587721	0	33	-1.0	-48.15	307.68	4.26	-43.89
CC1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1F	REAL300017587722	0	37	-1.0	-51.87	319.05	6.15	-45.72
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587723	0	45	-1.0	-54.48	378.32	7.41	-47.07
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017587724	0	37	-1.0	-51.03	341.52	6.86	-44.17
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017587725	0	37	-1.0	-50.91	342.09	6.88	-44.03
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017587726	0	34	-1.0	-50.95	309.13	6.26	-44.69
CC1=CC(F)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587727	0	37	-1.0	-51.31	325.83	6.38	-44.93
COC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CN=C1Cl	REAL300017587728	0	37	-1.0	-49.15	338.88	3.61	-45.54
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017587729	0	38	-1.0	-53.95	345.63	6.74	-47.21
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=N1	REAL300017587730	0	39	-1.0	-52.32	348.75	4.48	-47.84
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017587731	0	33	-1.0	-52.45	313.69	4.98	-47.47
COCC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587732	0	41	-1.0	-52.05	353.69	5.34	-46.71
COC1=CC(C#N)=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587733	0	39	-1.0	-51.97	341.24	5.92	-46.05
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587734	0	40	-1.0	-50.88	369.53	6.81	-44.07
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017587735	0	37	-1.0	-51.86	333.31	3.34	-48.52
CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=N1	REAL300017587736	0	40	-1.0	-49.97	347.05	3.26	-46.71
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017587737	0	43	-1.0	-63.56	383.65	3.81	-59.75
CC(=O)NC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1F	REAL300017587738	0	41	-1.0	-53.74	357.89	4.58	-49.16
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C21	REAL300017587739	0	48	-1.0	-58.51	388.35	7.17	-51.34
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017587740	0	37	-1.0	-52.65	323.83	4.28	-48.37
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587741	0	40	-1.0	-49.77	343.86	7.14	-42.63
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587742	0	44	-1.0	-60.98	381.21	3.04	-57.94
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C2CC1	REAL300017587743	0	51	-1.0	-56.29	408.62	7.52	-48.77
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(F)(F)F	REAL300017587744	0	43	-1.0	-56.47	380.81	7.03	-49.44
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587745	0	43	-1.0	-51.58	363.47	7.83	-43.75
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017587746	0	37	-1.0	-51.31	329.78	6.83	-44.48
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017587747	0	37	-1.0	-52.92	342.70	7.68	-45.24
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CCOC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C(F)C=C1C	REAL300017587753	0	46	-1.0	-51.45	390.91	7.67	-43.78
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017587754	0	40	-1.0	-51.88	357.72	7.61	-44.27
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587755	0	43	-1.0	-54.00	374.89	7.12	-46.88
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CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300017587758	0	37	-1.0	-52.67	336.27	6.89	-45.78
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CN1C	REAL300017587759	0	46	-1.0	-50.70	398.47	6.77	-43.93
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017587760	0	38	-1.0	-53.39	345.49	6.50	-46.89
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017587761	0	37	-1.0	-53.24	332.79	6.54	-46.70
CC1=NC(Cl)=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587762	0	36	-1.0	-50.50	325.68	5.07	-45.43
CC1=NC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C(Br)N1C	REAL300017587763	0	37	-1.0	-52.44	334.46	4.93	-47.51
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017587764	0	35	-1.0	-52.27	319.31	4.41	-47.86
COC(=O)C(C)(C)CS(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587765	0	42	-1.0	-50.46	344.64	5.51	-44.95
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587766	0	47	-1.0	-63.52	388.01	6.40	-57.12
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(F)=C1	REAL300017587767	0	40	-1.0	-53.97	353.00	6.21	-47.76
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587768	0	45	-1.0	-54.68	390.63	5.06	-49.62
CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(=O)OC(C)C	REAL300017587769	0	49	-1.0	-49.54	408.80	8.39	-41.15
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587770	0	46	-1.0	-56.61	402.28	4.82	-51.79
COC(=O)C1(CS(=O)(=O)N(C)CCCCC(=O)[O-])CCCC1	REAL300017587771	0	46	-1.0	-57.51	371.96	6.75	-50.76
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587772	0	41	-1.0	-51.74	370.42	5.84	-45.90
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300017587773	0	40	-1.0	-48.44	350.31	7.08	-41.36
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017587774	0	45	-1.0	-49.39	401.27	8.93	-40.46
COC(=O)CC1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587775	0	43	-1.0	-53.65	372.83	7.00	-46.65
CN(CCCCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	REAL300017587776	0	44	-1.0	-51.64	342.16	7.14	-44.50
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017587777	0	40	-1.0	-49.66	357.17	7.54	-42.12
COC(=O)C1(CS(=O)(=O)N(C)CCCCC(=O)[O-])CCC1	REAL300017587778	0	43	-1.0	-57.89	356.37	6.08	-51.81
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017587779	0	34	-1.0	-50.00	330.58	5.84	-44.16
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587780	0	47	-1.0	-57.03	408.47	5.97	-51.06
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587781	0	50	-1.0	-56.82	430.33	6.90	-49.92
COC(=O)C1(CS(=O)(=O)N(C)CCCCC(=O)[O-])CCCCC1	REAL300017587782	0	49	-1.0	-56.54	383.69	7.17	-49.37
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587783	0	42	-1.0	-53.53	367.79	6.62	-46.91
CN(CCCCC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017587784	0	36	-1.0	-58.23	326.45	4.54	-53.69
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017587785	0	38	-1.0	-55.26	326.58	5.44	-49.82
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300017587786	0	47	-1.0	-55.45	397.83	9.48	-45.97
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017587787	0	37	-1.0	-50.32	351.02	7.33	-42.99
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017587788	0	37	-1.0	-50.77	341.90	6.92	-43.85
COC1=CC=C(Br)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1F	REAL300017587789	0	38	-1.0	-51.20	340.63	5.68	-45.52
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587790	0	44	-1.0	-53.47	372.08	7.99	-45.48
CN(CCCCC(=O)[O-])S(=O)(=O)CCC(C)(C)C1CC1	REAL300017587791	0	46	-1.0	-51.51	361.79	7.10	-44.41
CN(CCCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017587792	0	38	-1.0	-51.59	344.25	7.26	-44.33
CN(CCCCC(=O)[O-])S(=O)(=O)CCCC(C)(F)F	REAL300017587793	0	39	-1.0	-53.14	335.19	5.76	-47.38
CN(CCCCC(=O)[O-])S(=O)(=O)CCCC1=CC=CC=C1	REAL300017587794	0	43	-1.0	-51.69	362.47	7.88	-43.81
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C(C(N)=O)O1	REAL300017587796	0	38	-1.0	-53.43	330.98	1.05	-52.38
CCCC1=CC=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587800	0	43	-1.0	-52.97	353.04	8.33	-44.64
CN(CCCCC(=O)[O-])S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017587801	0	43	-1.0	-52.86	357.85	6.32	-46.54
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)F	REAL300017587802	0	34	-1.0	-53.64	315.78	5.62	-48.02
CN(CCCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017587803	0	40	-1.0	-52.72	347.40	7.17	-45.55
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587804	0	50	-1.0	-51.89	412.15	8.42	-43.47
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017587805	0	39	-1.0	-56.97	332.56	6.25	-50.72
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C21	REAL300017587806	0	54	-1.0	-60.56	422.83	8.03	-52.53
COC(=O)C1=CN(C)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587807	0	41	-1.0	-56.63	359.40	5.89	-50.74
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017587808	0	48	-1.0	-52.61	393.57	5.73	-46.88
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017587809	0	49	-1.0	-57.90	406.59	8.22	-49.68
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C21	REAL300017587810	0	48	-1.0	-65.22	396.72	7.51	-57.71
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017587811	0	41	-1.0	-53.19	347.91	5.32	-47.87
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300017587812	0	41	-1.0	-49.44	343.59	5.47	-43.97
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017587813	0	44	-1.0	-52.32	368.82	6.20	-46.12
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017587821	0	40	-1.0	-51.50	363.28	6.45	-45.05
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017587822	0	40	-1.0	-51.29	346.58	2.80	-48.49
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Br)C=CO1	REAL300017587823	0	31	-1.0	-51.83	299.77	4.34	-47.49
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300017587824	0	41	-1.0	-48.36	336.25	5.57	-42.79
COC1=C(F)C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1F	REAL300017587825	0	38	-1.0	-49.62	343.90	5.19	-44.43
COC1=CC(F)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1F	REAL300017587826	0	38	-1.0	-51.13	333.98	4.92	-46.21
CCCCCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(C)C	REAL300017587827	0	59	-1.0	-48.51	470.33	10.18	-38.33
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C	REAL300017587828	0	50	-1.0	-52.21	392.50	7.27	-44.94
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587829	0	44	-1.0	-51.87	365.54	7.09	-44.78
CC1=CSC(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587830	0	37	-1.0	-46.66	310.12	5.97	-40.69
CC1CC2=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C2O1	REAL300017587831	0	42	-1.0	-54.73	351.18	6.35	-48.38
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300017587832	0	42	-1.0	-50.13	366.68	5.31	-44.82
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300017587833	0	42	-1.0	-56.95	366.86	7.82	-49.13
COC1=C(F)C=CC(F)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587834	0	38	-1.0	-49.58	330.51	6.20	-43.38
CC1=C(Br)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C(C)S1	REAL300017587835	0	37	-1.0	-46.29	333.16	6.71	-39.58
CC1=CC(Cl)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(Br)=C1	REAL300017587836	0	37	-1.0	-51.24	343.20	7.64	-43.60
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C21	REAL300017587837	0	51	-1.0	-60.15	408.02	7.75	-52.40
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017587838	0	40	-1.0	-52.60	346.18	6.12	-46.48
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C21	REAL300017587839	0	48	-1.0	-53.34	395.14	7.13	-46.21
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CSC=C1Cl	REAL300017587840	0	31	-1.0	-51.40	296.58	4.88	-46.52
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=NN1C	REAL300017587841	0	34	-1.0	-50.28	321.42	3.74	-46.54
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017587842	0	36	-1.0	-49.10	329.81	4.72	-44.38
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587843	0	39	-1.0	-60.00	338.70	5.26	-54.74
CN(CCCCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017587844	0	43	-1.0	-48.42	338.55	5.47	-42.95
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017587845	0	38	-1.0	-50.09	347.75	6.04	-44.05
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017587846	0	35	-1.0	-50.41	312.90	4.44	-45.97
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017587847	0	37	-1.0	-52.34	334.66	7.00	-45.34
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017587848	0	38	-1.0	-52.33	347.91	6.04	-46.29
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017587849	0	37	-1.0	-61.07	342.92	5.35	-55.72
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300017587850	0	41	-1.0	-50.19	348.82	5.41	-44.78
CC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1F	REAL300017587851	0	43	-1.0	-46.73	341.54	7.52	-39.21
COC1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1OC	REAL300017587852	0	42	-1.0	-53.29	351.67	5.46	-47.83
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017587853	0	43	-1.0	-54.66	364.17	2.80	-51.86
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300017587854	0	35	-1.0	-48.19	336.39	6.47	-41.72
CN(CCCCC(=O)[O-])S(=O)(=O)C1=COC2=CC=CC=C12	REAL300017587855	0	37	-1.0	-52.71	322.86	5.76	-46.95
COC1=CC=C(F)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1OC	REAL300017587856	0	42	-1.0	-52.04	353.51	5.86	-46.18
COC(=O)C1=C(Br)OC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587857	0	37	-1.0	-51.63	356.65	5.03	-46.60
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300017587858	0	47	-1.0	-50.69	380.10	6.37	-44.32
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300017587859	0	38	-1.0	-56.12	347.48	7.50	-48.62
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300017587861	0	41	-1.0	-53.23	347.00	5.28	-47.95
CN(CCCCC(=O)[O-])C(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017587862	0	36	-1.0	-51.73	329.58	9.51	-42.22
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017587863	0	38	-1.0	-50.83	335.13	5.15	-45.68
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017587864	0	38	-1.0	-56.82	347.96	6.06	-50.76
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017587865	0	37	-1.0	-53.09	324.40	4.74	-48.35
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300017587866	0	39	-1.0	-63.44	338.88	4.18	-59.26
CC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1Br	REAL300017587868	0	40	-1.0	-50.54	344.09	7.28	-43.26
CN(CCCCC(=O)[O-])S(=O)(=O)N1CCCC(C)(C)C1	REAL300017587869	0	45	-1.0	-50.45	353.07	6.00	-44.45
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017587870	0	40	-1.0	-51.53	366.83	6.74	-44.79
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CNC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587913	0	43	-1.0	-59.53	369.82	3.12	-56.41
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300017587914	0	37	-1.0	-57.19	351.95	2.14	-55.05
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CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300017587918	0	40	-1.0	-52.92	349.09	7.09	-45.83
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CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017587937	0	36	-1.0	-53.56	333.91	4.77	-48.79
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017587938	0	39	-1.0	-56.96	351.61	6.71	-50.25
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017587939	0	39	-1.0	-54.39	344.54	6.32	-48.07
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COC1=CC=C(Br)C(F)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587941	0	38	-1.0	-49.23	346.10	6.56	-42.67
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017587942	0	41	-1.0	-54.04	356.54	5.98	-48.06
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300017587943	0	48	-1.0	-50.94	400.50	7.08	-43.86
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CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])O1	REAL300017587945	0	40	-1.0	-60.12	361.63	1.95	-58.17
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300017587946	0	44	-1.0	-58.55	377.68	6.95	-51.60
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017587947	0	40	-1.0	-54.96	369.45	3.05	-51.91
CN(CCCCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017587948	0	38	-1.0	-49.26	336.42	6.90	-42.36
CN(CCCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017587949	0	38	-1.0	-49.87	351.31	7.45	-42.42
CN(CCCCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017587950	0	38	-1.0	-48.92	351.30	7.46	-41.46
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017587951	0	38	-1.0	-48.66	340.18	6.90	-41.76
COC(=O)C1CCCCN1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587952	0	45	-1.0	-52.26	353.82	6.19	-46.07
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300017587953	0	56	-1.0	-49.17	425.46	9.74	-39.43
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300017587954	0	37	-1.0	-59.28	341.30	6.38	-52.90
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COC(=O)C=CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1	REAL300017587956	0	44	-1.0	-53.95	385.28	7.50	-46.45
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=NN1	REAL300017587957	0	40	-1.0	-52.75	358.21	3.46	-49.29
COC1=CSC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1OC	REAL300017587958	0	39	-1.0	-51.97	345.19	3.53	-48.44
CN(CCCCC(=O)[O-])C(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300017587959	0	51	-1.0	-53.13	353.91	9.42	-43.71
CN(CCCCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017587960	0	46	-1.0	-48.38	353.52	5.94	-42.44
CN(CCCCC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300017587961	0	45	-1.0	-52.56	377.87	7.54	-45.02
CN(CCCCC(=O)[O-])C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017587962	0	45	-1.0	-52.70	355.04	11.46	-41.24
CN(CCCCC(=O)[O-])C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017587963	0	51	-1.0	-54.11	388.40	11.41	-42.70
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CN(CCCCC(=O)[O-])C(=O)N(C)C1CCS(=O)(=O)C1	REAL300017587966	0	41	-1.0	-61.77	326.78	3.90	-57.87
CN(CCCCC(=O)[O-])C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300017587967	0	53	-1.0	-55.11	403.87	8.64	-46.47
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COC1=C(Br)C=CC(F)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587969	0	38	-1.0	-49.16	344.75	6.77	-42.39
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017587970	0	38	-1.0	-56.70	348.93	6.56	-50.14
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017587971	0	38	-1.0	-50.43	341.37	5.21	-45.22
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300017587972	0	40	-1.0	-51.14	336.91	5.41	-45.73
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CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300017587974	0	41	-1.0	-54.84	351.72	7.42	-47.42
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017587975	0	37	-1.0	-53.40	324.93	6.84	-46.56
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017587976	0	43	-1.0	-51.83	376.88	6.13	-45.70
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017587977	0	31	-1.0	-47.53	323.08	5.74	-41.79
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300017587978	0	34	-1.0	-50.56	311.83	3.49	-47.07
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587979	0	47	-1.0	-54.12	388.29	7.91	-46.21
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017587980	0	51	-1.0	-52.28	414.21	7.48	-44.80
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017587981	0	37	-1.0	-48.90	354.25	7.08	-41.82
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017587982	0	39	-1.0	-53.92	350.07	6.24	-47.68
COC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587983	0	42	-1.0	-55.74	351.49	5.19	-50.55
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017587984	0	45	-1.0	-50.02	386.30	8.48	-41.54
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300017587985	0	40	-1.0	-59.99	337.82	7.59	-52.40
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017587986	0	39	-1.0	-56.40	352.89	4.24	-52.16
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017587987	0	35	-1.0	-53.42	335.59	4.60	-48.82
CC(=O)OC1CCCN(C(=O)N(C)CCCCC(=O)[O-])C1	REAL300017587988	0	44	-1.0	-61.91	346.03	8.07	-53.84
COCN1N=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587989	0	38	-1.0	-51.68	326.62	1.67	-50.01
CC1=CC(Cl)=NC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587990	0	36	-1.0	-49.03	317.47	4.71	-44.32
C=C(C)COC1=CC=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587991	0	45	-1.0	-53.61	379.51	7.19	-46.42
CCN1C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C2CC2)=N1	REAL300017587992	0	44	-1.0	-51.28	368.03	6.19	-45.09
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C2=NSN=C2C=C1	REAL300017587993	0	38	-1.0	-58.11	331.25	4.77	-53.34
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017587994	0	40	-1.0	-48.93	358.46	8.33	-40.60
CC(=O)OC1CCN(S(=O)(=O)N(C)CCCCC(=O)[O-])C1	REAL300017587995	0	42	-1.0	-53.25	357.80	4.82	-48.43
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017587996	0	44	-1.0	-50.85	388.94	9.58	-41.27
CCC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1Br	REAL300017587997	0	40	-1.0	-47.99	354.92	7.44	-40.55
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587998	0	47	-1.0	-49.90	380.79	6.69	-43.21
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CS1	REAL300017587999	0	31	-1.0	-48.77	306.82	5.16	-43.61
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017588000	0	48	-1.0	-53.38	397.08	6.02	-47.36
CC1=CC=C(CS(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1F	REAL300017588444	0	36	-1.0	-58.01	317.09	3.20	-54.81
N#CCC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588445	0	34	-1.0	-55.80	307.96	3.11	-52.69
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC(F)=C1F	REAL300017588446	0	36	-1.0	-45.17	331.27	2.50	-42.67
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017588447	0	42	-1.0	-53.78	350.26	3.25	-50.53
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017588448	0	48	-1.0	-47.84	352.90	3.61	-44.23
CC1=NC2=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=CC=C2C=C1	REAL300017588449	0	38	-1.0	-57.08	311.00	3.57	-53.51
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017588450	0	38	-1.0	-57.62	329.95	3.79	-53.83
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017588451	0	41	-1.0	-52.07	344.02	0.35	-51.72
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588452	0	44	-1.0	-54.38	371.90	2.78	-51.60
CCCN1C=NC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588453	0	36	-1.0	-53.10	313.03	2.68	-50.42
N#CC1=CC(F)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1Br	REAL300017588454	0	31	-1.0	-43.89	298.14	2.54	-41.35
N#CC1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=CS1	REAL300017588455	0	28	-1.0	-51.79	259.77	0.37	-51.42
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1CCC(F)CC1	REAL300017588456	0	39	-1.0	-53.01	313.33	3.11	-49.90
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300017588457	0	33	-1.0	-49.35	301.76	2.89	-46.46
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017588458	0	36	-1.0	-56.91	313.75	2.74	-54.17
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C2)=N1	REAL300017588459	0	39	-1.0	-48.08	351.94	3.40	-44.68
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1F	REAL300017588460	0	36	-1.0	-49.51	329.97	2.54	-46.97
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588461	0	39	-1.0	-52.41	334.00	2.67	-49.74
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588462	0	36	-1.0	-56.25	324.15	3.59	-52.66
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017588463	0	33	-1.0	-55.36	310.34	3.00	-52.36
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017588464	0	30	-1.0	-44.04	303.68	2.89	-41.15
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588465	0	37	-1.0	-61.14	322.55	-0.79	-61.93
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588466	0	55	-1.0	-47.40	446.04	6.86	-40.54
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588467	0	45	-1.0	-51.68	375.58	4.28	-47.40
CCC1CCN(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])CC1	REAL300017588468	0	41	-1.0	-49.12	320.82	2.17	-46.95
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017588469	0	36	-1.0	-51.67	316.81	3.48	-48.19
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CCC1=CC=CC=C1F	REAL300017588470	0	36	-1.0	-52.37	315.96	3.44	-48.93
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017588471	0	36	-1.0	-51.47	323.09	3.78	-47.69
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588472	0	34	-1.0	-47.59	305.06	2.35	-45.24
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-])C(=O)NCCC2	REAL300017588473	0	45	-1.0	-60.44	355.76	0.64	-59.80
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])S2)C1	REAL300017588474	0	41	-1.0	-52.05	356.22	2.41	-49.64
CC1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017588475	0	37	-1.0	-52.94	341.70	4.39	-48.55
COC1CCN(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])CC1	REAL300017588476	0	39	-1.0	-49.32	314.19	-0.08	-49.40
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017588477	0	33	-1.0	-54.63	313.56	3.12	-51.51
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588478	0	43	-1.0	-47.67	355.90	3.62	-44.05
CC(CC(F)(F)F)CS(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588479	0	35	-1.0	-54.11	300.41	2.13	-51.98
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017588480	0	37	-1.0	-54.12	329.50	3.66	-50.46
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=C2)=N1	REAL300017588481	0	42	-1.0	-53.38	358.53	1.94	-51.44
COC1=CC(F)=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588482	0	34	-1.0	-48.94	286.04	1.61	-47.33
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])O1	REAL300017588483	0	36	-1.0	-45.24	323.16	1.31	-43.93
CCC1=NC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CN1CC1CC1	REAL300017588484	0	43	-1.0	-55.82	360.18	3.71	-52.11
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C2C1	REAL300017588485	0	41	-1.0	-59.18	349.81	2.27	-56.91
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017588486	0	33	-1.0	-49.52	306.48	1.30	-48.22
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017588487	0	33	-1.0	-56.98	315.17	1.74	-55.24
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300017588488	0	49	-1.0	-51.38	397.72	4.84	-46.54
CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017588489	0	38	-1.0	-48.85	329.01	4.37	-44.48
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588490	0	37	-1.0	-44.73	308.06	1.75	-42.98
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017588491	0	43	-1.0	-49.29	367.75	4.13	-45.16
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017588492	0	44	-1.0	-52.70	383.73	5.14	-47.56
COC(CS(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300017588493	0	40	-1.0	-56.38	350.11	2.46	-53.92
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017588494	0	42	-1.0	-50.48	349.75	3.37	-47.11
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1Cl	REAL300017588495	0	38	-1.0	-48.36	346.30	0.77	-47.59
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=CC=C12	REAL300017588496	0	42	-1.0	-51.26	357.49	4.69	-46.57
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C	REAL300017588497	0	41	-1.0	-53.35	350.62	0.85	-52.50
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1(C(F)F)CCCC1	REAL300017588498	0	39	-1.0	-49.74	313.30	3.19	-46.55
CCOC1(CS(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])CCOCC1	REAL300017588499	0	44	-1.0	-54.98	343.69	0.66	-54.32
CCOC(CS(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-])C1CC1	REAL300017588500	0	40	-1.0	-52.63	330.53	2.05	-50.58
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1F	REAL300017588501	0	36	-1.0	-49.61	319.71	2.09	-47.52
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=C(Cl)C=C21	REAL300017588502	0	41	-1.0	-55.33	343.83	2.91	-52.42
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588503	0	33	-1.0	-41.55	306.43	0.62	-40.93
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017588504	0	41	-1.0	-53.37	366.83	5.91	-47.46
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588505	0	33	-1.0	-46.15	307.89	3.37	-42.78
CC1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1Br	REAL300017588506	0	33	-1.0	-51.64	300.67	3.13	-48.51
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588507	0	36	-1.0	-56.34	324.90	2.94	-53.40
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017588508	0	38	-1.0	-47.94	324.10	-0.32	-48.26
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588509	0	34	-1.0	-46.79	316.45	1.68	-45.11
COC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017588510	0	36	-1.0	-49.06	321.79	2.53	-46.53
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588511	0	36	-1.0	-46.98	318.25	3.68	-43.30
COCCN1C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=N1	REAL300017588512	0	37	-1.0	-52.05	326.61	-0.58	-52.63
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588513	0	43	-1.0	-48.36	355.75	3.37	-44.99
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017588514	0	37	-1.0	-52.42	330.06	2.48	-49.94
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017588515	0	38	-1.0	-54.56	338.62	4.08	-50.48
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017588516	0	30	-1.0	-48.26	293.27	2.46	-45.80
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017588517	0	33	-1.0	-56.70	302.14	2.61	-54.09
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017588518	0	37	-1.0	-62.35	330.68	-0.21	-62.56
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=CC=C21	REAL300017588519	0	39	-1.0	-53.73	342.51	2.75	-50.98
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588520	0	33	-1.0	-48.36	299.78	3.12	-45.24
COCC1=CC=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588521	0	37	-1.0	-49.58	313.08	1.88	-47.70
COC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300017588522	0	34	-1.0	-49.17	316.17	1.76	-47.41
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C(Cl)S1	REAL300017588523	0	33	-1.0	-44.27	327.17	-1.07	-45.34
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017588524	0	33	-1.0	-54.20	310.81	0.88	-53.32
CC1(C)CC2=CC(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300017588525	0	41	-1.0	-48.25	343.06	3.00	-45.25
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1F	REAL300017588526	0	38	-1.0	-55.42	345.50	-1.45	-56.87
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1F	REAL300017588527	0	41	-1.0	-54.33	366.97	-0.56	-54.89
CCC(=O)NCC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1OC	REAL300017588528	0	47	-1.0	-56.80	397.14	0.95	-55.85
CCC1=CC=C(CS(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588529	0	39	-1.0	-53.27	332.47	4.09	-49.18
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588530	0	34	-1.0	-51.42	310.71	2.04	-49.38
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017588531	0	45	-1.0	-53.39	380.02	2.23	-51.16
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588532	0	39	-1.0	-58.53	348.44	0.21	-58.32
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017588533	0	32	-1.0	-45.54	314.32	1.83	-43.71
CC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300017588534	0	35	-1.0	-49.24	325.32	2.90	-46.34
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588535	0	35	-1.0	-44.43	314.04	2.85	-41.58
N#CC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588536	0	31	-1.0	-46.02	307.78	2.76	-43.26
CCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1Br	REAL300017588537	0	37	-1.0	-51.16	338.02	2.69	-48.47
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017588538	0	44	-1.0	-59.76	383.93	1.22	-58.54
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017588539	0	33	-1.0	-54.93	299.53	2.68	-52.25
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588540	0	43	-1.0	-48.87	376.45	3.52	-45.35
CC1(C)CN(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])CCO1	REAL300017588541	0	39	-1.0	-47.15	311.59	0.14	-47.01
COC1=C(C)C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C	REAL300017588542	0	40	-1.0	-47.23	337.01	2.74	-44.49
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588543	0	46	-1.0	-47.37	377.61	4.26	-43.11
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017588544	0	44	-1.0	-47.38	359.74	4.13	-43.25
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588545	0	43	-1.0	-47.58	358.65	3.65	-43.93
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588546	0	40	-1.0	-47.59	338.54	2.96	-44.63
COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1Cl	REAL300017588547	0	34	-1.0	-51.48	311.78	1.65	-49.83
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017588548	0	34	-1.0	-51.11	321.53	1.92	-49.19
COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C	REAL300017588549	0	37	-1.0	-52.25	315.82	1.83	-50.42
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300017588550	0	43	-1.0	-49.63	356.33	3.46	-46.17
COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(C)=C1	REAL300017588551	0	37	-1.0	-49.85	311.33	1.91	-47.94
COCCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588552	0	41	-1.0	-50.16	350.67	1.43	-48.73
COCCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C	REAL300017588553	0	44	-1.0	-53.66	371.30	2.03	-51.63
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC=CC=C1F	REAL300017588554	0	33	-1.0	-58.67	295.73	2.54	-56.13
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588555	0	41	-1.0	-54.90	355.39	1.67	-53.23
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017588556	0	45	-1.0	-51.27	370.61	1.40	-49.87
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588557	0	40	-1.0	-57.15	340.05	1.87	-55.28
CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300017588558	0	33	-1.0	-49.70	304.02	3.33	-46.37
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588559	0	36	-1.0	-46.20	331.95	-0.12	-46.32
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588560	0	36	-1.0	-56.13	326.74	3.89	-52.24
N#CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1Cl	REAL300017588561	0	31	-1.0	-49.45	302.45	2.60	-46.85
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588562	0	33	-1.0	-47.04	303.15	3.25	-43.79
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1C	REAL300017588563	0	38	-1.0	-58.12	315.22	4.88	-53.24
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588564	0	36	-1.0	-40.44	326.06	3.02	-37.42
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588565	0	39	-1.0	-59.44	341.20	0.35	-59.09
N#CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(C(F)(F)F)=C1	REAL300017588566	0	34	-1.0	-51.02	309.99	3.69	-47.33
N#CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300017588567	0	31	-1.0	-49.91	302.49	2.60	-47.31
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588568	0	46	-1.0	-50.26	378.41	3.69	-46.57
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017588569	0	42	-1.0	-50.57	374.73	-0.22	-50.79
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588570	0	38	-1.0	-51.09	342.31	-1.90	-52.99
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])S1	REAL300017588571	0	40	-1.0	-56.82	361.88	0.86	-55.96
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])O1	REAL300017588572	0	33	-1.0	-46.11	305.62	0.72	-45.39
CC1=NC(C)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])S1	REAL300017588573	0	32	-1.0	-45.78	289.87	0.57	-45.21
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017588574	1	32	-1.0	-61.26	291.41	3.63	-57.63
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017588575	0	33	-1.0	-51.27	322.37	3.63	-47.64
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C(C)N1	REAL300017588576	0	43	-1.0	-53.30	357.95	2.33	-50.97
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017588577	0	30	-1.0	-52.30	285.16	2.85	-49.45
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])S2)=CS1	REAL300017588578	0	36	-1.0	-48.35	345.27	2.50	-45.85
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017588579	0	50	-1.0	-47.42	400.29	5.55	-41.87
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300017588580	0	40	-1.0	-52.85	361.91	1.58	-51.27
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588581	0	39	-1.0	-53.31	334.47	3.34	-49.97
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017588582	0	32	-1.0	-53.62	299.83	3.86	-49.76
COC1=CC(F)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1OC	REAL300017588583	0	38	-1.0	-48.11	316.48	0.84	-47.27
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1OC	REAL300017588584	0	41	-1.0	-51.00	339.55	1.92	-49.08
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017588585	1	32	-1.0	-48.87	318.07	4.63	-44.24
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588586	0	38	-1.0	-57.52	313.13	3.69	-53.83
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017588587	0	33	-1.0	-54.27	303.60	2.64	-51.63
CN1C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(N)=O	REAL300017588588	0	35	-1.0	-51.07	307.76	-1.89	-52.96
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588589	0	33	-1.0	-47.23	298.55	3.14	-44.09
CCOC(=O)C1CCCN1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588590	0	41	-1.0	-56.76	344.40	2.28	-54.48
CNC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CN1C	REAL300017588591	0	38	-1.0	-50.97	329.80	-0.39	-51.36
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(C)=C1	REAL300017588592	0	40	-1.0	-48.48	321.44	2.77	-45.71
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300017588593	0	38	-1.0	-53.82	338.80	1.62	-52.20
COC(=O)C1=CC=C(CS(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588594	0	39	-1.0	-55.34	344.42	3.31	-52.03
COC(=O)C1CCN(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])CC1	REAL300017588595	0	41	-1.0	-56.07	338.54	1.63	-54.44
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017588596	0	41	-1.0	-50.36	341.19	2.07	-48.29
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588597	0	39	-1.0	-62.82	345.28	3.14	-59.68
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])O1	REAL300017588598	0	36	-1.0	-45.93	327.48	1.64	-44.29
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588599	0	43	-1.0	-50.72	372.51	3.01	-47.71
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C	REAL300017588600	0	40	-1.0	-48.83	330.36	2.85	-45.98
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017588601	0	34	-1.0	-59.24	304.66	2.15	-57.09
CCOC(=O)CCCS(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588602	0	38	-1.0	-58.80	327.82	2.12	-56.68
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017588603	0	33	-1.0	-54.89	302.00	3.81	-51.08
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017588604	0	32	-1.0	-53.27	304.41	3.96	-49.31
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588605	0	35	-1.0	-60.82	300.98	4.15	-56.67
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017588606	0	32	-1.0	-44.16	310.83	3.33	-40.83
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C(Br)C=CS1	REAL300017588607	0	27	-1.0	-48.41	274.58	1.69	-46.72
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017588608	0	34	-1.0	-48.79	302.84	2.34	-46.45
CC1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300017588609	0	38	-1.0	-49.98	310.84	2.99	-46.99
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017588610	0	32	-1.0	-58.19	302.11	1.14	-57.05
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300017588611	0	38	-1.0	-51.82	320.12	0.63	-51.19
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017588612	0	29	-1.0	-45.54	295.58	1.14	-44.40
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017588613	0	32	-1.0	-45.16	288.17	2.25	-42.91
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017588614	0	32	-1.0	-47.10	310.70	2.92	-44.18
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588615	0	39	-1.0	-59.69	346.29	0.31	-59.38
CCN1C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017588616	0	35	-1.0	-55.86	316.45	2.67	-53.19
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017588617	0	32	-1.0	-58.70	299.36	3.15	-55.55
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017588618	0	32	-1.0	-43.81	300.28	2.50	-41.31
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017588619	0	37	-1.0	-49.67	336.62	2.62	-47.05
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017588620	0	32	-1.0	-52.80	304.42	3.97	-48.83
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017588621	0	44	-1.0	-49.02	376.96	5.22	-43.80
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(F)=C1	REAL300017588622	0	38	-1.0	-56.03	332.50	-1.91	-57.94
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588623	0	38	-1.0	-54.72	327.73	3.27	-51.45
CCOC(=O)N1CCN(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])CC1	REAL300017588624	0	43	-1.0	-40.65	345.36	0.38	-40.27
COC1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017588625	0	39	-1.0	-52.83	338.83	2.79	-50.04
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017588626	0	40	-1.0	-53.26	352.83	3.38	-49.88
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017588627	0	33	-1.0	-61.36	292.84	1.20	-60.16
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588628	0	52	-1.0	-41.64	395.86	4.52	-37.12
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588629	0	38	-1.0	-54.28	343.00	-1.46	-55.74
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300017588630	0	33	-1.0	-58.08	296.88	2.55	-55.53
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1F	REAL300017588631	0	36	-1.0	-57.08	331.39	-0.66	-57.74
CCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300017588632	0	43	-1.0	-52.15	357.12	4.46	-47.69
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588633	0	40	-1.0	-53.11	321.40	3.05	-50.06
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017588634	0	35	-1.0	-59.18	314.39	2.09	-57.09
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017588635	0	37	-1.0	-49.04	326.63	3.04	-46.00
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017588636	0	32	-1.0	-49.99	310.67	2.92	-47.07
N#CC1=C(F)C=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588637	0	31	-1.0	-57.64	290.20	2.14	-55.50
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588638	0	44	-1.0	-50.10	372.53	2.39	-47.71
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588639	0	46	-1.0	-47.38	381.54	4.52	-42.86
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017588640	0	32	-1.0	-58.93	298.21	4.12	-54.81
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1F	REAL300017588641	0	36	-1.0	-51.04	325.58	2.47	-48.57
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300017588642	0	36	-1.0	-37.23	340.07	3.31	-33.92
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588643	0	40	-1.0	-56.05	331.74	2.41	-53.64
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])S1	REAL300017588644	0	36	-1.0	-57.69	336.20	2.40	-55.29
COC(=O)C1=CSC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588645	0	33	-1.0	-52.82	314.78	1.47	-51.35
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588646	0	42	-1.0	-55.01	352.71	3.90	-51.11
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300017588647	0	36	-1.0	-50.13	333.58	2.83	-47.30
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1C	REAL300017588648	0	39	-1.0	-49.41	336.46	3.03	-46.38
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588649	0	36	-1.0	-52.18	312.53	2.27	-49.91
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017588650	0	40	-1.0	-50.86	321.23	4.55	-46.31
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017588651	0	36	-1.0	-53.40	313.29	3.83	-49.57
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300017588652	0	29	-1.0	-44.04	282.05	0.73	-43.31
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017588653	0	34	-1.0	-45.37	322.10	3.40	-41.97
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300017588654	0	35	-1.0	-51.84	302.32	1.09	-50.75
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017588655	0	35	-1.0	-50.06	317.01	-2.76	-52.82
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C2S1	REAL300017588656	0	44	-1.0	-47.84	379.04	3.87	-43.97
COC(=O)CC1(CS(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])CC1	REAL300017588657	0	39	-1.0	-52.48	330.67	2.29	-50.19
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588658	0	35	-1.0	-51.83	322.76	2.02	-49.81
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C(F)C=C1F	REAL300017588659	0	33	-1.0	-44.99	284.50	2.33	-42.66
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588660	0	37	-1.0	-50.56	316.66	2.94	-47.62
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=CC=C21	REAL300017588661	0	42	-1.0	-53.04	356.96	3.31	-49.73
CCCCCCN1C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(=O)NC1=O	REAL300017588662	0	48	-1.0	-52.42	393.18	2.44	-49.98
CC1=CN(C2=CC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C2F)N=C1	REAL300017588663	0	40	-1.0	-50.59	349.85	3.65	-46.94
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])S1	REAL300017588664	0	37	-1.0	-54.06	337.13	1.15	-52.91
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588665	0	37	-1.0	-61.18	330.54	-3.47	-64.65
CC1=CC(F)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1F	REAL300017588666	0	33	-1.0	-46.97	284.43	2.35	-44.62
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017588667	0	35	-1.0	-36.23	317.87	3.63	-32.60
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(Br)O1	REAL300017588668	0	27	-1.0	-45.14	270.46	0.65	-44.49
CC1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300017588669	0	36	-1.0	-51.33	324.03	2.93	-48.40
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017588670	0	27	-1.0	-35.16	286.08	2.07	-33.09
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017588671	0	33	-1.0	-46.74	311.23	3.43	-43.31
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017588672	0	33	-1.0	-46.51	321.54	3.88	-42.63
CC1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017588673	0	36	-1.0	-52.71	331.16	4.61	-48.10
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300017588674	0	33	-1.0	-50.03	318.25	3.85	-46.18
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017588675	0	36	-1.0	-54.74	312.06	4.58	-50.16
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017588676	0	36	-1.0	-55.84	324.03	4.66	-51.18
CN1C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017588677	0	41	-1.0	-50.27	370.57	0.90	-49.37
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CN1C	REAL300017588678	0	40	-1.0	-51.92	348.88	2.99	-48.93
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300017588679	0	44	-1.0	-54.89	379.84	4.02	-50.87
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1F	REAL300017588680	0	36	-1.0	-55.90	331.39	-0.66	-56.56
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588681	0	39	-1.0	-58.68	352.28	1.33	-57.35
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588682	0	43	-1.0	-53.91	373.12	3.51	-50.40
CC1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300017588683	0	36	-1.0	-54.13	325.57	3.66	-50.47
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017588684	0	41	-1.0	-60.53	366.69	-1.15	-61.68
N#CC1=CC(F)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(F)=C1	REAL300017588685	1	31	-1.0	-49.05	294.67	2.61	-46.44
CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1N(C)C	REAL300017588686	0	41	-1.0	-52.28	340.86	2.43	-49.85
CN1C(Cl)=NC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588687	0	30	-1.0	-43.75	282.11	0.84	-42.91
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588688	0	35	-1.0	-48.87	321.72	3.76	-45.11
CSC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1Cl	REAL300017588689	0	34	-1.0	-50.86	321.46	3.26	-47.60
CN1C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])N=C1Cl	REAL300017588690	0	30	-1.0	-51.49	286.25	0.75	-50.74
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588691	0	33	-1.0	-60.91	308.95	2.54	-58.37
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017588692	0	42	-1.0	-54.35	367.76	4.28	-50.07
CN(C)C1=CC=C(Br)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588693	0	38	-1.0	-51.25	333.66	3.17	-48.08
CC1=NN2C=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=NC2=C1Cl	REAL300017588694	0	35	-1.0	-45.30	323.25	1.66	-43.64
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588695	0	36	-1.0	-54.20	326.77	3.87	-50.33
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588696	0	42	-1.0	-49.12	342.44	2.38	-46.74
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C12	REAL300017588697	0	37	-1.0	-46.11	327.30	-0.36	-46.47
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017588698	0	35	-1.0	-49.22	319.36	3.11	-46.11
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588699	0	36	-1.0	-54.06	316.44	3.43	-50.63
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017588700	0	33	-1.0	-68.76	304.01	1.68	-67.08
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017588701	0	33	-1.0	-53.84	323.85	3.57	-50.27
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588702	0	38	-1.0	-65.80	330.45	-0.29	-66.09
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017588703	0	29	-1.0	-35.37	284.91	0.86	-34.51
COC(=O)C1CCCCC1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588704	0	42	-1.0	-60.64	325.42	3.55	-57.09
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300017588705	0	43	-1.0	-50.99	364.20	4.58	-46.41
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300017588706	0	37	-1.0	-54.42	311.85	1.95	-52.47
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588707	0	34	-1.0	-58.39	325.52	3.25	-55.14
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017588708	0	36	-1.0	-49.19	334.95	-0.14	-49.33
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588709	0	34	-1.0	-47.60	305.06	2.34	-45.26
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017588710	0	39	-1.0	-61.15	332.74	5.62	-55.53
CCC1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C(C(=O)OC)O1	REAL300017588711	0	39	-1.0	-46.34	344.96	2.27	-44.07
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017588712	0	47	-1.0	-56.60	376.86	3.63	-52.97
COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(C)=C1F	REAL300017588713	0	37	-1.0	-48.96	316.28	1.96	-47.00
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017588714	0	50	-1.0	-44.82	383.00	3.31	-41.51
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017588715	0	44	-1.0	-57.11	357.16	1.85	-55.26
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017588716	0	41	-1.0	-54.33	364.57	2.58	-51.75
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588717	0	38	-1.0	-50.94	338.47	4.09	-46.85
N#CC1(CS(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])CCCCC1	REAL300017588718	0	40	-1.0	-60.24	320.15	2.81	-57.43
CC1(CS(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])CCCCC1	REAL300017588719	0	42	-1.0	-52.15	314.98	3.42	-48.73
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017588720	0	39	-1.0	-51.08	327.71	3.23	-47.85
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017588721	0	33	-1.0	-52.57	305.94	0.67	-51.90
COC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1F	REAL300017588722	0	34	-1.0	-49.60	301.98	1.16	-48.44
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588723	0	41	-1.0	-54.24	333.82	2.62	-51.62
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588724	0	44	-1.0	-55.23	368.44	3.15	-52.08
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588725	0	39	-1.0	-53.12	319.14	3.86	-49.26
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017588726	0	44	-1.0	-52.13	363.43	5.16	-46.97
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300017588727	0	45	-1.0	-48.13	389.35	4.43	-43.70
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588728	0	42	-1.0	-53.03	356.26	4.27	-48.76
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017588729	0	30	-1.0	-40.54	293.29	2.90	-37.64
CC1=C(Cl)SC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588730	0	30	-1.0	-44.62	294.63	1.98	-42.64
COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(F)=C1	REAL300017588731	0	34	-1.0	-49.04	288.46	0.68	-48.36
CC1=CC=C(C)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300017588732	0	38	-1.0	-57.92	322.53	5.19	-52.73
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017588733	0	36	-1.0	-50.21	326.69	3.72	-46.49
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017588734	0	40	-1.0	-41.56	354.47	5.01	-36.55
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588735	0	38	-1.0	-51.28	332.91	0.15	-51.13
CN(C)C1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588736	0	38	-1.0	-48.28	315.74	2.39	-45.89
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017588737	0	36	-1.0	-48.83	311.15	2.45	-46.38
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017588739	0	33	-1.0	-51.61	298.81	2.94	-48.67
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017588740	0	33	-1.0	-47.37	322.10	3.27	-44.10
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017588741	0	33	-1.0	-45.98	297.73	2.39	-43.59
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588742	0	33	-1.0	-50.51	309.34	3.04	-47.47
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588743	0	41	-1.0	-56.11	316.15	0.01	-56.10
CSC1=CC=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588744	0	34	-1.0	-43.85	295.25	2.72	-41.13
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588745	0	41	-1.0	-59.22	335.73	1.53	-57.69
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017588746	0	42	-1.0	-53.74	354.71	1.94	-51.80
COC1=C(F)C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017588747	0	36	-1.0	-45.01	329.18	2.59	-42.42
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017588748	0	40	-1.0	-47.86	357.09	1.32	-46.54
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(OC)=C1	REAL300017588749	0	40	-1.0	-50.24	334.31	2.21	-48.03
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588750	0	33	-1.0	-46.20	307.89	3.38	-42.82
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017588751	0	38	-1.0	-48.84	323.05	3.84	-45.00
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017588752	0	38	-1.0	-62.88	330.45	3.03	-59.85
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017588753	0	36	-1.0	-60.51	306.85	-1.71	-62.22
CN1C(=O)N(C)C2=CC(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=CC=C21	REAL300017588754	0	40	-1.0	-53.63	346.81	2.69	-50.94
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017588755	0	35	-1.0	-53.04	313.98	2.11	-50.93
COC1=CC(F)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(F)=C1	REAL300017588756	0	34	-1.0	-50.70	303.39	1.52	-49.18
CCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(C)=C1	REAL300017588757	0	40	-1.0	-49.65	332.32	2.92	-46.73
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588758	0	38	-1.0	-57.45	342.87	-2.04	-59.49
CS(=O)(=O)CCS(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588759	0	32	-1.0	-61.43	293.88	-2.94	-64.37
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588760	0	39	-1.0	-58.23	338.62	3.58	-54.65
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017588761	0	34	-1.0	-50.73	287.71	1.74	-48.99
CSC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588762	0	34	-1.0	-47.74	305.91	2.96	-44.78
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588763	0	42	-1.0	-47.22	363.84	4.32	-42.90
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588764	0	40	-1.0	-54.94	342.09	1.65	-53.29
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017588765	0	36	-1.0	-58.38	329.20	3.48	-54.90
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588766	0	41	-1.0	-52.65	332.89	3.48	-49.17
CCN1C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])N=C1C	REAL300017588767	0	36	-1.0	-54.25	311.68	1.71	-52.54
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017588768	0	29	-1.0	-41.53	284.42	0.76	-40.77
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017588769	0	36	-1.0	-51.93	308.89	1.58	-50.35
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017588770	0	35	-1.0	-51.06	302.19	2.29	-48.77
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017588771	0	42	-1.0	-50.29	359.37	3.92	-46.37
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC(F)=C1F	REAL300017588772	0	30	-1.0	-50.90	266.70	1.49	-49.41
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017588773	0	30	-1.0	-47.12	279.09	2.25	-44.87
CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300017588774	0	36	-1.0	-51.35	320.68	3.30	-48.05
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017588775	0	36	-1.0	-48.36	338.48	2.49	-45.87
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C12	REAL300017588776	0	38	-1.0	-47.77	332.38	1.65	-46.12
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017588777	0	33	-1.0	-56.35	317.02	3.17	-53.18
CC1=NOC2=NC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C12	REAL300017588778	0	34	-1.0	-46.90	305.81	-1.10	-48.00
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017588779	0	39	-1.0	-50.41	347.26	4.78	-45.63
COCC1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588780	0	37	-1.0	-49.21	319.71	1.73	-47.48
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017588781	0	32	-1.0	-49.28	309.40	3.42	-45.86
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C(C(=O)OC)S1	REAL300017588782	0	39	-1.0	-55.80	361.19	3.16	-52.64
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588783	0	36	-1.0	-56.40	316.41	3.43	-52.97
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017588784	0	33	-1.0	-56.86	303.80	2.96	-53.90
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017588785	0	42	-1.0	-60.29	362.29	0.44	-59.85
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017588786	0	37	-1.0	-52.77	335.58	2.45	-50.32
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017588787	0	30	-1.0	-37.59	292.62	2.98	-34.61
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=CN=C21	REAL300017588788	0	38	-1.0	-49.94	335.68	-0.73	-50.67
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1F	REAL300017588819	0	39	-1.0	-50.84	347.48	3.40	-47.44
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017588820	0	38	-1.0	-54.92	327.92	2.58	-52.34
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017588821	0	30	-1.0	-37.67	277.73	2.42	-35.25
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588822	0	49	-1.0	-64.17	398.15	4.80	-59.37
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017588823	0	33	-1.0	-51.81	315.95	3.51	-48.30
N#CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300017588824	0	31	-1.0	-46.33	285.40	2.27	-44.06
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1Cl	REAL300017588825	0	37	-1.0	-49.51	327.56	1.15	-48.36
CC1CC2=CC(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300017588826	0	38	-1.0	-51.54	323.45	2.41	-49.13
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1Cl	REAL300017588827	0	34	-1.0	-37.73	316.74	2.21	-35.52
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588828	0	42	-1.0	-53.86	319.48	5.16	-48.70
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588829	0	42	-1.0	-56.87	353.70	0.74	-56.13
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CS1	REAL300017588830	0	33	-1.0	-48.75	311.92	1.68	-47.07
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588831	0	39	-1.0	-56.22	348.73	4.36	-51.86
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017588832	0	41	-1.0	-48.02	371.14	5.29	-42.73
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017588833	0	36	-1.0	-51.20	331.20	2.70	-48.50
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017588834	0	36	-1.0	-48.05	348.80	2.94	-45.11
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1C	REAL300017588835	0	39	-1.0	-52.49	330.16	3.25	-49.24
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017588836	0	32	-1.0	-43.52	315.17	3.05	-40.47
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588837	0	34	-1.0	-45.65	321.20	2.57	-43.08
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588838	0	42	-1.0	-49.05	344.35	2.50	-46.55
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])CC1	REAL300017588839	0	44	-1.0	-58.16	351.16	1.35	-56.81
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C2)=CO1	REAL300017588840	0	39	-1.0	-52.35	342.11	0.99	-51.36
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017588841	0	29	-1.0	-42.21	292.90	1.03	-41.18
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017588842	0	33	-1.0	-48.55	295.68	2.33	-46.22
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017588843	0	33	-1.0	-50.67	292.63	0.44	-50.23
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN=C2CCCN21	REAL300017588844	0	34	-1.0	-50.24	294.07	1.36	-48.88
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017588845	0	38	-1.0	-48.37	319.41	2.56	-45.81
COC1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588846	0	34	-1.0	-41.06	300.72	1.65	-39.41
COC(=O)C1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300017588847	0	39	-1.0	-54.08	344.61	4.98	-49.10
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588848	0	39	-1.0	-53.98	342.67	3.38	-50.60
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017588849	0	37	-1.0	-53.96	304.10	3.38	-50.58
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=N2)C=C1	REAL300017588850	0	40	-1.0	-51.55	348.73	3.58	-47.97
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017588851	0	48	-1.0	-57.74	406.74	3.92	-53.82
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017588852	0	48	-1.0	-55.09	396.71	3.47	-51.62
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017588853	0	45	-1.0	-55.44	387.53	2.90	-52.54
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])S1	REAL300017588854	0	32	-1.0	-47.65	303.78	2.09	-45.56
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C21	REAL300017588855	0	41	-1.0	-64.43	345.23	2.97	-61.46
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017588856	0	30	-1.0	-42.96	290.29	2.80	-40.16
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017588857	0	30	-1.0	-48.14	302.40	2.87	-45.27
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588858	0	40	-1.0	-52.30	329.38	3.54	-48.76
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1C#N	REAL300017588859	0	34	-1.0	-50.16	306.24	2.69	-47.47
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1F	REAL300017588860	0	36	-1.0	-51.80	325.56	2.49	-49.31
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588861	0	34	-1.0	-50.52	293.81	2.27	-48.25
COC1=CC=C(C)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588862	0	37	-1.0	-50.78	309.29	1.99	-48.79
N#CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1Br	REAL300017588863	0	31	-1.0	-49.31	306.74	2.70	-46.61
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1Cl	REAL300017588864	0	37	-1.0	-49.90	327.42	2.41	-47.49
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])S1	REAL300017588865	0	36	-1.0	-48.88	340.42	2.42	-46.46
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1F	REAL300017588866	0	37	-1.0	-51.36	326.48	0.90	-50.46
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1OC	REAL300017588867	0	38	-1.0	-40.68	330.01	1.57	-39.11
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017588868	0	34	-1.0	-51.12	311.73	1.44	-49.68
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017588869	0	33	-1.0	-47.85	310.59	2.85	-45.00
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C	REAL300017588870	0	41	-1.0	-52.47	357.59	-1.10	-53.57
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=CC=C2S1	REAL300017588871	0	42	-1.0	-48.56	380.70	4.97	-43.59
N#CCC1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588872	0	34	-1.0	-55.52	307.96	3.10	-52.42
COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300017588873	0	34	-1.0	-40.97	304.84	1.65	-39.32
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=N1	REAL300017588874	0	35	-1.0	-56.76	323.14	-2.62	-59.38
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-])OCO2	REAL300017588875	0	36	-1.0	-49.72	307.04	1.36	-48.36
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588876	0	36	-1.0	-48.38	302.51	2.83	-45.55
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017588877	0	30	-1.0	-44.84	281.29	2.36	-42.48
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588878	0	36	-1.0	-45.60	298.37	3.54	-42.06
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017588879	0	30	-1.0	-48.24	297.91	3.27	-44.97
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-])OCC(=O)N2	REAL300017588880	0	40	-1.0	-53.11	328.80	-1.08	-54.19
N#CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])S1	REAL300017588881	0	28	-1.0	-49.14	279.23	1.35	-47.79
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017588882	0	31	-1.0	-52.89	278.26	0.37	-52.52
COC1=CN=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588883	0	33	-1.0	-47.22	290.43	-0.58	-47.80
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017588884	0	30	-1.0	-49.83	281.02	2.03	-47.80
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1OC	REAL300017588885	0	40	-1.0	-52.32	348.31	2.50	-49.82
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588886	0	34	-1.0	-51.92	316.90	-0.95	-52.87
CCOC1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588887	0	37	-1.0	-49.54	317.22	2.18	-47.36
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=C2O1	REAL300017588888	0	41	-1.0	-56.31	337.12	3.17	-53.14
N#CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300017588889	0	34	-1.0	-49.76	322.92	2.96	-46.80
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588927	0	31	-1.0	-56.39	299.69	2.51	-53.88
CC1=CC=C(C#N)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588928	0	34	-1.0	-50.23	300.59	3.08	-47.15
COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(=O)N(C)C	REAL300017588929	0	44	-1.0	-52.77	369.15	1.22	-51.55
CC1CC2=CC(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300017588930	0	38	-1.0	-46.85	339.26	3.04	-43.81
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017588931	0	35	-1.0	-47.54	310.80	2.96	-44.58
CC1=CC=C(Br)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588932	0	33	-1.0	-50.85	302.65	3.39	-47.46
COC(=O)C1=COC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588933	0	33	-1.0	-50.17	305.54	0.49	-49.68
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=N1	REAL300017588934	0	41	-1.0	-54.97	354.50	2.55	-52.42
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017588935	0	32	-1.0	-47.54	298.05	1.41	-46.13
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588936	0	40	-1.0	-54.43	333.08	2.15	-52.28
COC1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])SC=C1	REAL300017588937	0	31	-1.0	-59.80	286.03	-0.09	-59.89
CC(=O)NC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1C	REAL300017588938	0	40	-1.0	-61.29	339.22	1.58	-59.71
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CCCC(F)(F)F	REAL300017588939	0	32	-1.0	-58.56	291.38	1.47	-57.09
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017588940	0	35	-1.0	-56.68	311.94	2.07	-54.61
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300017588941	0	36	-1.0	-55.35	312.58	-0.61	-55.96
CN1CCCC2=CC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C21	REAL300017588942	0	42	-1.0	-50.02	340.41	2.52	-47.50
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017588943	0	32	-1.0	-44.53	300.77	1.16	-43.37
CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588944	0	33	-1.0	-41.56	292.66	3.02	-38.54
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588945	0	38	-1.0	-60.77	318.13	2.34	-58.43
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CN=C1Cl	REAL300017588946	0	32	-1.0	-44.23	295.30	1.22	-43.01
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017588947	0	36	-1.0	-50.44	317.09	0.99	-49.45
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017588948	0	29	-1.0	-47.73	286.98	1.70	-46.03
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])S1	REAL300017588949	0	39	-1.0	-51.12	339.74	3.43	-47.69
CC1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1C#N	REAL300017588950	0	34	-1.0	-58.42	303.29	2.63	-55.79
COC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC(OC)=C1	REAL300017588951	0	38	-1.0	-50.12	324.64	0.36	-49.76
N#CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588952	0	31	-1.0	-38.24	292.02	2.74	-35.50
CN1C=NC2=CC(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])=CC=C21	REAL300017588953	0	36	-1.0	-55.69	314.35	3.27	-52.42
CC1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017588954	0	38	-1.0	-56.03	317.65	3.81	-52.22
CCC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1CC	REAL300017588955	0	42	-1.0	-52.67	343.35	4.36	-48.31
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588956	0	38	-1.0	-44.96	319.81	4.01	-40.95
CC1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1Cl	REAL300017588957	0	33	-1.0	-51.92	297.87	2.99	-48.93
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C(C)O1	REAL300017588958	0	36	-1.0	-46.63	324.03	1.46	-45.17
CC1=C(C)SC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588959	0	33	-1.0	-48.51	299.54	2.36	-46.15
CC1=CC=CC(F)=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588960	0	33	-1.0	-56.12	283.69	2.70	-53.42
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588961	0	31	-1.0	-45.55	288.16	-0.29	-45.84
CCC1=NC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])S1	REAL300017588962	0	32	-1.0	-46.41	295.73	0.52	-45.89
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017588963	0	36	-1.0	-59.94	313.62	3.48	-56.46
COC(=O)C1=NSC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588964	0	32	-1.0	-54.96	298.11	0.70	-54.26
COC(=O)C1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])SC=N1	REAL300017588965	1	32	-1.0	-60.81	298.77	-0.04	-60.85
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC(C)=C1F	REAL300017588966	0	36	-1.0	-45.37	312.72	3.27	-42.10
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017588967	0	38	-1.0	-56.83	325.29	0.39	-56.44
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017588968	0	41	-1.0	-48.77	329.72	0.03	-48.74
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CN1C	REAL300017588969	0	37	-1.0	-52.22	327.03	2.05	-50.17
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017588970	0	29	-1.0	-44.20	277.47	0.63	-43.57
CC1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1F	REAL300017588971	0	33	-1.0	-52.05	280.73	2.08	-49.97
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588972	0	41	-1.0	-48.62	348.35	3.77	-44.85
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017588973	0	33	-1.0	-57.01	312.51	3.03	-53.98
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017588974	0	33	-1.0	-57.40	312.96	3.05	-54.35
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017588975	0	30	-1.0	-52.63	281.57	2.71	-49.92
CC1=CC(F)=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588976	0	33	-1.0	-50.81	294.46	2.50	-48.31
COC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CN=C1Cl	REAL300017588977	0	33	-1.0	-44.26	306.66	-0.09	-44.35
N#CC1=CC=C(F)C(CS(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588978	0	34	-1.0	-58.96	316.56	2.92	-56.04
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=N1	REAL300017588979	0	35	-1.0	-46.65	316.79	0.76	-45.89
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017588980	0	29	-1.0	-48.05	281.46	1.24	-46.81
COCC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588981	0	37	-1.0	-49.13	320.78	1.67	-47.46
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588982	0	35	-1.0	-50.17	300.34	1.94	-48.23
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588983	0	36	-1.0	-51.47	337.81	2.94	-48.53
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017588984	0	33	-1.0	-37.29	304.07	-0.29	-37.58
CCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=N1	REAL300017588985	0	36	-1.0	-49.41	315.38	-0.60	-50.01
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588986	0	39	-1.0	-61.09	350.74	0.14	-60.95
CC(=O)NC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1F	REAL300017588987	0	37	-1.0	-56.79	326.50	0.88	-55.91
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C21	REAL300017588988	0	44	-1.0	-63.06	358.78	3.60	-59.46
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017588989	0	33	-1.0	-51.21	281.05	0.27	-50.94
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588990	0	36	-1.0	-45.28	319.41	3.82	-41.46
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588991	0	40	-1.0	-59.37	337.78	-0.72	-60.09
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C2CC1	REAL300017588992	0	47	-1.0	-52.13	376.43	3.93	-48.20
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300017588993	0	39	-1.0	-51.57	351.18	3.24	-48.33
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588994	0	39	-1.0	-40.81	331.47	4.27	-36.54
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300017588995	0	33	-1.0	-48.32	302.30	3.30	-45.02
O=C([O-])[C@H]1COC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017588996	0	33	-1.0	-48.99	304.08	3.90	-45.09
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588997	0	44	-1.0	-55.37	376.19	0.20	-55.17
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588998	0	43	-1.0	-56.45	354.65	3.26	-53.19
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1C	REAL300017588999	0	42	-1.0	-49.29	358.33	3.96	-45.33
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017589000	0	42	-1.0	-53.63	363.46	4.37	-49.26
CC1=CC=C(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1F	REAL300017613119	0	35	-1.0	-54.83	317.12	1.70	-53.13
CC1=C(Br)C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017613120	0	34	-1.0	-49.89	331.42	2.08	-47.81
COC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC(F)=C1F	REAL300017613121	0	35	-1.0	-52.11	332.25	1.02	-51.09
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017613122	0	41	-1.0	-54.13	351.00	1.71	-52.42
O=C([O-])C[C@@H](O)CNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017613123	0	47	-1.0	-49.63	353.77	1.96	-47.67
CC1=NC2=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=CC=C2C=C1	REAL300017613124	0	37	-1.0	-56.53	319.79	1.96	-54.57
O=C([O-])C[C@@H](O)CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017613125	0	37	-1.0	-58.84	331.41	2.17	-56.67
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017613126	0	40	-1.0	-52.82	343.79	-1.18	-54.00
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613127	0	43	-1.0	-54.29	380.91	1.42	-52.87
N#CC1=CC(F)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1Br	REAL300017613128	0	30	-1.0	-49.26	305.32	0.93	-48.33
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C1Cl	REAL300017613129	0	32	-1.0	-49.53	302.09	1.39	-48.14
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017613130	0	35	-1.0	-57.05	314.73	1.27	-55.78
CC1=CSC(C2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C2)=N1	REAL300017613131	0	38	-1.0	-52.41	352.87	1.75	-50.66
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1F	REAL300017613132	0	35	-1.0	-52.77	334.53	1.15	-51.62
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613133	0	38	-1.0	-53.56	339.98	1.33	-52.23
CC1=C(Br)C=CC=C1CS(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613134	0	35	-1.0	-53.43	324.27	2.08	-51.35
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017613135	0	32	-1.0	-52.66	310.27	1.50	-51.16
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017613136	0	29	-1.0	-48.49	304.66	1.42	-47.07
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613137	0	36	-1.0	-58.21	322.56	-2.28	-60.49
CCCCCCCCOC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613138	0	54	-1.0	-50.64	446.96	5.21	-45.43
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613139	0	44	-1.0	-54.96	376.50	2.63	-52.33
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613140	0	39	-1.0	-50.87	351.80	2.45	-48.42
O=C([O-])C[C@@H](O)CNS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017613141	0	35	-1.0	-53.84	318.29	1.85	-51.99
O=C([O-])C[C@@H](O)CNS(=O)(=O)CCC1=CC=CC=C1F	REAL300017613142	0	35	-1.0	-54.04	317.45	1.82	-52.22
O=C([O-])C[C@@H](O)CNS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017613143	0	35	-1.0	-53.14	324.55	2.15	-50.99
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613144	0	33	-1.0	-49.83	314.13	0.77	-49.06
COC1=CC2=C(C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(=O)NCCC2	REAL300017613145	0	44	-1.0	-58.99	363.20	-0.81	-59.80
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])S2)C1	REAL300017613146	0	40	-1.0	-55.36	357.88	0.80	-54.56
CC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017613147	0	36	-1.0	-52.60	342.58	2.78	-49.82
NC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C(F)C=C1Br	REAL300017613148	0	33	-1.0	-51.71	315.62	-2.56	-54.27
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017613149	0	32	-1.0	-52.30	313.49	1.63	-50.67
CCC(C)OC1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613150	0	42	-1.0	-52.46	356.68	1.94	-50.52
CC(CC(F)(F)F)CS(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613151	0	34	-1.0	-54.60	301.89	0.51	-54.09
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017613152	0	36	-1.0	-56.28	332.90	2.09	-54.19
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C2)=N1	REAL300017613153	0	41	-1.0	-54.02	359.31	0.28	-53.74
COC1=CC(F)=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613154	0	33	-1.0	-50.57	293.56	0.18	-50.39
COC(=O)C1=C(C)C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])O1	REAL300017613155	0	35	-1.0	-51.57	324.07	-0.35	-51.92
CCC1=NC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CN1CC1CC1	REAL300017613156	0	42	-1.0	-55.76	365.34	2.22	-53.54
CC(=O)N1CC2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C2C1	REAL300017613157	0	40	-1.0	-58.13	351.62	0.85	-57.28
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017613158	0	32	-1.0	-50.51	306.38	-0.21	-50.72
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017613159	0	32	-1.0	-58.96	316.10	0.09	-58.87
CCCOC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(C)C	REAL300017613160	0	48	-1.0	-50.50	398.10	3.33	-47.17
CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017613161	0	37	-1.0	-52.90	330.59	2.64	-50.26
CN1N=CC(C2CC2)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613162	0	36	-1.0	-49.77	313.18	0.16	-49.61
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017613163	0	42	-1.0	-50.92	367.61	2.61	-48.31
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017613164	0	43	-1.0	-53.84	384.11	3.64	-50.20
COC(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300017613165	0	39	-1.0	-53.71	349.47	0.98	-52.73
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017613166	0	41	-1.0	-54.77	350.88	1.70	-53.07
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1Cl	REAL300017613167	0	37	-1.0	-52.04	347.62	-0.87	-52.91
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=CC=C12	REAL300017613168	0	41	-1.0	-52.94	357.72	3.15	-49.79
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C	REAL300017613169	0	40	-1.0	-54.81	351.37	-0.63	-55.44
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1(C(F)F)CCCC1	REAL300017613170	0	38	-1.0	-51.35	315.95	1.48	-49.87
CCOC1(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])CCOCC1	REAL300017613171	0	43	-1.0	-53.73	344.22	-0.96	-54.69
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1F	REAL300017613172	0	35	-1.0	-52.95	324.21	0.71	-52.24
CC(=O)N1CCC2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C(Cl)C=C21	REAL300017613173	0	40	-1.0	-59.59	347.19	1.37	-58.22
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613174	0	32	-1.0	-49.56	308.24	-1.10	-50.66
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017613175	0	40	-1.0	-52.05	367.21	4.38	-47.67
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613176	0	32	-1.0	-48.67	309.20	1.72	-46.95
CC1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1Br	REAL300017613177	0	32	-1.0	-51.77	301.31	1.59	-50.18
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613178	0	35	-1.0	-56.90	325.31	1.42	-55.48
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017613179	0	37	-1.0	-52.71	324.69	-1.98	-54.69
COC1=CC(Br)=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613180	0	33	-1.0	-50.37	317.43	0.21	-50.16
COC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017613181	0	35	-1.0	-52.93	322.17	1.03	-51.90
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613182	0	35	-1.0	-50.49	320.07	2.19	-48.30
COCCN1C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=N1	REAL300017613183	0	36	-1.0	-53.20	326.38	-2.10	-55.30
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613184	0	42	-1.0	-52.17	357.73	1.78	-50.39
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017613185	0	36	-1.0	-55.40	330.98	0.82	-54.58
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1C	REAL300017613186	0	56	-1.0	-51.87	454.14	4.84	-47.03
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1F	REAL300017613187	0	43	-1.0	-53.83	377.70	-1.79	-55.62
O=C([O-])C[C@@H](O)CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017613188	0	37	-1.0	-57.62	340.10	2.46	-55.16
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017613189	0	29	-1.0	-49.99	293.63	0.95	-49.04
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CC(=O)NCCC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])S1	REAL300017613247	0	39	-1.0	-58.13	362.45	-0.78	-58.91
COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])O1	REAL300017613248	0	32	-1.0	-51.73	306.18	-0.93	-52.66
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CCOC(=O)C1=C(C)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C(C)N1	REAL300017613251	0	42	-1.0	-53.73	362.61	0.96	-52.77
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COC(=O)C1=CC=C(C)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613256	0	38	-1.0	-54.53	336.05	1.83	-52.70
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COC1=CC(F)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1OC	REAL300017613258	0	37	-1.0	-51.77	323.59	-0.76	-52.53
COC1=CC(C)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1OC	REAL300017613259	0	40	-1.0	-52.19	340.90	0.26	-51.93
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CCOC(=O)C1CCCN1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613265	0	40	-1.0	-54.87	342.09	0.67	-54.20
CNC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CN1C	REAL300017613266	0	37	-1.0	-55.46	330.51	-2.07	-57.53
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COC(=O)C1=CC=C(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613269	0	38	-1.0	-56.85	345.20	1.66	-55.19
COC(=O)C1CCN(S(=O)(=O)NC[C@H](O)CC(=O)[O-])CC1	REAL300017613270	0	40	-1.0	-54.56	337.48	0.00	-54.56
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COC(=O)C1=CC=CC(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613272	0	38	-1.0	-58.68	345.21	1.65	-57.03
CCOC(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])O1	REAL300017613273	0	35	-1.0	-51.51	328.04	0.00	-51.51
COC(=O)CCOC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613274	0	42	-1.0	-54.19	373.43	1.35	-52.84
COC1=CC(C)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C	REAL300017613275	0	39	-1.0	-50.94	330.87	1.22	-49.72
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CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613289	0	38	-1.0	-55.64	346.14	-1.24	-56.88
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CCOCCOC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613313	0	43	-1.0	-53.11	373.45	0.74	-52.37
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CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C2S1	REAL300017613331	0	43	-1.0	-51.80	379.62	2.23	-49.57
COC(=O)CC1(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])CC1	REAL300017613332	0	38	-1.0	-53.58	332.05	0.80	-52.78
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613333	0	34	-1.0	-54.20	323.61	0.40	-53.80
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C(F)C=C1F	REAL300017613334	0	32	-1.0	-49.25	291.66	0.74	-48.51
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613335	0	36	-1.0	-51.73	326.61	1.29	-50.44
CC(C)N1N=CC2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C21	REAL300017613336	0	41	-1.0	-53.17	357.35	1.81	-51.36
CCCCCCN1C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(=O)NC1=O	REAL300017613337	0	47	-1.0	-57.08	397.62	0.89	-56.19
CC1=CN(C2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C2F)N=C1	REAL300017613338	0	39	-1.0	-52.45	350.23	2.14	-50.31
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])S1	REAL300017613339	0	36	-1.0	-53.21	340.21	-0.79	-54.00
CCS(=O)(=O)NCCS(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613340	0	36	-1.0	-60.96	330.50	-4.98	-65.94
CC1=CC(F)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1F	REAL300017613341	0	32	-1.0	-50.06	291.61	0.74	-49.32
CC1=CC(Cl)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017613342	0	34	-1.0	-50.73	312.57	1.53	-49.20
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(Br)O1	REAL300017613343	0	26	-1.0	-49.83	271.02	-0.99	-50.82
CC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300017613344	0	35	-1.0	-50.91	320.39	1.56	-49.35
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CC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017613348	0	35	-1.0	-51.11	328.35	2.98	-48.13
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CN1C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017613352	0	40	-1.0	-54.58	371.32	-0.76	-55.34
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CN1C	REAL300017613353	0	39	-1.0	-56.61	349.66	1.31	-55.30
CCOC(=O)C1CC2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C2O1	REAL300017613354	0	43	-1.0	-54.94	380.13	2.52	-52.42
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1F	REAL300017613355	0	35	-1.0	-56.47	331.72	-2.17	-58.64
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CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613357	0	42	-1.0	-57.68	373.18	1.81	-55.87
CC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])SC2=CC=CC(F)=C12	REAL300017613358	0	35	-1.0	-51.98	322.24	2.15	-49.83
O=C([O-])C[C@@H](O)CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017613359	0	40	-1.0	-59.87	366.63	-2.65	-62.52
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CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1N(C)C	REAL300017613361	0	40	-1.0	-50.89	341.54	0.95	-49.94
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613362	0	34	-1.0	-51.41	322.01	2.22	-49.19
CSC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1Cl	REAL300017613363	0	33	-1.0	-51.43	321.84	1.75	-49.68
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CN(C)C1=CC=C(Br)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613366	0	37	-1.0	-51.71	334.56	1.45	-50.26
CC1=NN2C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=NC2=C1Cl	REAL300017613367	0	34	-1.0	-53.40	325.99	0.13	-53.27
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613368	0	35	-1.0	-53.38	327.40	2.28	-51.10
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613369	0	41	-1.0	-52.23	340.46	0.76	-51.47
CCC1=NOC2=NC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C12	REAL300017613370	0	36	-1.0	-54.06	327.87	-2.01	-56.07
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017613371	0	34	-1.0	-52.53	319.68	1.61	-50.92
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COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613373	0	35	-1.0	-53.53	317.07	1.85	-51.68
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017613374	0	32	-1.0	-64.41	303.87	0.13	-64.28
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017613375	0	32	-1.0	-51.90	323.84	2.06	-49.84
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613376	1	44	-1.0	-55.92	386.36	-2.47	-58.39
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613377	0	37	-1.0	-61.54	338.82	-1.59	-63.13
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017613378	0	28	-1.0	-47.86	280.60	-1.02	-48.88
COC(=O)C1CCCCC1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613379	0	41	-1.0	-56.87	332.72	1.77	-55.10
COC(=O)C1(C2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C2)CC1	REAL300017613380	0	42	-1.0	-53.61	364.98	2.91	-50.70
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN2CCCCC2=N1	REAL300017613381	0	36	-1.0	-56.44	312.43	0.31	-56.13
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613382	0	33	-1.0	-55.60	325.50	1.74	-53.86
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017613383	0	35	-1.0	-51.08	335.25	-1.63	-52.71
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613384	0	33	-1.0	-49.95	314.14	0.77	-49.18
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017613385	0	38	-1.0	-58.19	333.21	4.00	-54.19
CCC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C(C(=O)OC)O1	REAL300017613386	0	38	-1.0	-51.65	345.49	0.62	-51.03
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017613387	0	46	-1.0	-59.94	380.85	2.03	-57.91
COC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C)=C1F	REAL300017613388	0	36	-1.0	-51.91	315.79	0.52	-51.39
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017613389	0	49	-1.0	-54.59	390.29	2.07	-52.52
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017613390	0	43	-1.0	-56.28	360.03	0.54	-55.74
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017613391	0	40	-1.0	-57.92	365.18	1.07	-56.85
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613392	0	37	-1.0	-53.31	338.87	2.45	-50.86
N#CC1(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])CCCCC1	REAL300017613393	0	39	-1.0	-59.27	321.65	1.18	-58.09
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017613394	0	38	-1.0	-51.78	327.75	1.74	-50.04
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300017613395	0	44	-1.0	-53.93	381.88	1.67	-52.26
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017613396	0	32	-1.0	-55.53	304.55	-0.82	-56.35
COC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C1F	REAL300017613397	0	33	-1.0	-50.94	302.37	-0.34	-51.28
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613398	0	40	-1.0	-54.85	356.84	0.36	-54.49
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613399	0	43	-1.0	-52.69	375.24	1.51	-51.18
CC(C)C1=CC=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613400	0	38	-1.0	-50.83	320.54	2.38	-48.45
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017613401	0	43	-1.0	-51.37	373.77	3.67	-47.70
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017613402	0	29	-1.0	-47.87	301.01	1.11	-46.76
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C2O1	REAL300017613403	0	44	-1.0	-52.71	390.33	2.95	-49.76
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613404	0	41	-1.0	-54.39	357.90	2.76	-51.63
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017613405	0	29	-1.0	-49.62	290.28	0.87	-48.75
CC1=C(Cl)SC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613406	0	29	-1.0	-48.84	295.61	0.50	-48.34
COC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(F)=C1	REAL300017613407	0	33	-1.0	-52.02	294.37	-0.67	-52.69
CC1=CC=C(C)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1[N+](=O)[O-]	REAL300017613408	0	37	-1.0	-56.92	321.52	3.23	-53.69
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017613409	0	35	-1.0	-52.51	327.62	2.07	-50.44
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017613410	0	39	-1.0	-48.81	352.65	3.24	-45.57
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613411	0	37	-1.0	-55.08	333.80	-1.50	-56.58
CN(C)C1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613412	0	37	-1.0	-52.00	318.16	0.68	-51.32
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017613413	0	35	-1.0	-52.49	312.36	0.79	-51.70
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017613415	0	32	-1.0	-52.42	298.82	1.15	-51.27
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017613416	0	32	-1.0	-48.77	322.09	1.79	-46.98
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017613417	0	32	-1.0	-49.59	303.63	1.03	-48.56
CC1=CC(Br)=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613418	0	32	-1.0	-49.90	309.34	1.56	-48.34
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613419	0	40	-1.0	-55.43	318.07	-1.48	-56.91
CSC1=CC=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613420	0	33	-1.0	-52.49	290.97	0.45	-52.04
CC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1Br	REAL300017613421	0	36	-1.0	-54.05	340.63	-0.06	-54.11
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613422	0	40	-1.0	-61.93	347.33	0.26	-61.67
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017613423	0	41	-1.0	-55.10	330.86	-0.50	-55.60
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300017613424	0	35	-1.0	-52.90	347.10	-1.59	-54.49
COC1=C(F)C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017613425	0	35	-1.0	-51.67	330.11	1.11	-50.56
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017613426	0	39	-1.0	-52.78	357.33	-0.36	-53.14
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017613427	0	40	-1.0	-62.14	365.54	2.10	-60.04
COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(OC)=C1	REAL300017613428	0	39	-1.0	-52.82	341.84	0.76	-52.06
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613429	0	32	-1.0	-48.52	309.20	1.73	-46.79
CC1=CC(C)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017613430	0	37	-1.0	-52.94	325.78	2.37	-50.57
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017613431	0	37	-1.0	-59.15	330.29	1.54	-57.61
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613432	0	45	-1.0	-61.03	403.07	-1.05	-62.08
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017613433	0	35	-1.0	-61.41	310.59	-3.25	-64.66
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C21	REAL300017613434	0	39	-1.0	-55.69	346.88	1.19	-54.50
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017613435	0	34	-1.0	-57.25	314.90	0.46	-56.79
COC1=CC(F)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(F)=C1	REAL300017613436	0	33	-1.0	-51.94	304.61	-0.14	-52.08
CCOC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C)=C1	REAL300017613437	0	39	-1.0	-50.67	332.69	1.42	-49.25
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613438	0	37	-1.0	-56.56	343.25	-3.55	-60.11
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613439	0	38	-1.0	-55.97	338.80	2.03	-53.94
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017613440	0	33	-1.0	-52.65	296.97	0.38	-52.27
CSC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613441	0	33	-1.0	-50.95	306.82	1.30	-49.65
CCCOC(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613442	0	41	-1.0	-51.86	364.75	2.66	-49.20
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300017613443	0	35	-1.0	-51.83	327.56	0.19	-51.64
CCC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613444	0	39	-1.0	-57.16	343.28	-0.01	-57.17
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017613445	0	35	-1.0	-54.78	329.12	1.99	-52.79
CCN(CC1=CC=CC=C1)S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613446	0	40	-1.0	-51.39	335.46	2.11	-49.28
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017613447	0	28	-1.0	-50.27	280.44	-1.09	-51.36
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017613448	0	35	-1.0	-52.89	301.14	-0.15	-53.04
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017613449	0	34	-1.0	-52.92	302.75	0.74	-52.18
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017613450	0	41	-1.0	-53.59	360.35	2.26	-51.33
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017613451	0	29	-1.0	-50.08	286.20	0.65	-49.43
CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(F)(F)F	REAL300017613452	0	35	-1.0	-50.86	321.07	1.81	-49.05
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017613453	0	35	-1.0	-52.12	339.47	1.02	-51.10
CC1=NN(C)C2=NC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C12	REAL300017613454	0	37	-1.0	-53.67	332.95	0.01	-53.66
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017613455	0	32	-1.0	-53.56	317.00	1.65	-51.91
CC1=NOC2=NC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C12	REAL300017613456	0	33	-1.0	-54.86	306.38	-2.74	-57.60
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017613457	0	38	-1.0	-52.44	348.17	3.13	-49.31
COCC1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613458	0	36	-1.0	-52.41	321.70	-0.00	-52.41
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017613459	0	31	-1.0	-51.04	311.31	1.71	-49.33
COC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C(C(=O)OC)S1	REAL300017613460	0	38	-1.0	-55.08	361.85	1.51	-53.57
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613461	0	35	-1.0	-54.38	317.07	1.85	-52.53
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017613462	0	32	-1.0	-53.96	303.95	1.44	-52.52
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017613463	0	41	-1.0	-63.93	363.22	-1.22	-65.15
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017613464	0	36	-1.0	-53.96	336.39	0.79	-53.17
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017613465	0	29	-1.0	-49.30	289.59	0.96	-48.34
COC1=CC(OC)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1Br	REAL300017613466	0	37	-1.0	-52.51	337.02	0.09	-52.42
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CN=C21	REAL300017613467	0	37	-1.0	-53.15	336.31	-2.30	-55.45
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C1F	REAL300017613503	0	38	-1.0	-52.96	347.84	1.89	-51.07
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017613504	0	37	-1.0	-55.85	328.63	0.93	-54.92
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017613505	0	29	-1.0	-49.68	274.70	0.41	-49.27
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613506	0	48	-1.0	-57.75	360.17	2.74	-55.01
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017613507	0	32	-1.0	-53.01	317.30	1.89	-51.12
N#CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(Cl)=C1	REAL300017613508	0	30	-1.0	-50.86	289.04	0.73	-50.13
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1Cl	REAL300017613509	0	36	-1.0	-54.66	335.94	-0.44	-55.10
CC1CC2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C2O1	REAL300017613510	0	37	-1.0	-51.77	323.55	0.87	-50.90
COC1=CC(Cl)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1Cl	REAL300017613511	0	33	-1.0	-49.49	313.78	0.20	-49.29
CCC1=CC=CC(CC)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613512	0	41	-1.0	-49.29	323.95	3.48	-45.81
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613513	0	41	-1.0	-55.86	354.33	-0.73	-56.59
COC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CS1	REAL300017613514	0	32	-1.0	-54.44	313.90	-0.05	-54.49
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613515	0	38	-1.0	-54.25	349.37	2.80	-51.45
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017613516	0	40	-1.0	-52.16	372.04	3.64	-48.52
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017613517	0	35	-1.0	-54.45	333.07	0.95	-53.50
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017613518	0	35	-1.0	-51.85	349.79	1.47	-50.38
COC(=O)C1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1C	REAL300017613519	0	38	-1.0	-53.75	330.40	1.71	-52.04
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017613520	0	31	-1.0	-50.08	316.15	1.58	-48.50
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613521	0	33	-1.0	-48.76	322.29	0.93	-47.83
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613522	0	41	-1.0	-52.30	343.61	0.81	-51.49
CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])CC1	REAL300017613523	0	43	-1.0	-56.97	360.87	0.18	-56.79
CC1=NC(C2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C2)=CO1	REAL300017613524	0	38	-1.0	-55.70	343.02	-0.66	-56.36
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017613525	0	28	-1.0	-49.01	293.72	-0.64	-49.65
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017613526	0	32	-1.0	-52.52	292.68	-1.06	-53.58
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017613527	0	37	-1.0	-51.63	320.33	0.91	-50.72
COC1=CC=C(Cl)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613528	0	33	-1.0	-51.70	297.77	-0.36	-52.06
COC(=O)C1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C2=CC=CC=C2S1	REAL300017613529	0	38	-1.0	-54.76	346.46	3.28	-51.48
COC(=O)CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613530	0	38	-1.0	-55.90	343.58	1.73	-54.17
CC1=CC=C(N2C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=N2)C=C1	REAL300017613531	0	39	-1.0	-53.84	348.60	2.07	-51.77
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CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])S1	REAL300017613535	0	31	-1.0	-51.77	304.76	0.61	-51.16
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C21	REAL300017613536	0	40	-1.0	-63.63	345.46	1.31	-62.32
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COC1=CC(C)=CC(C)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613539	0	39	-1.0	-53.30	325.61	1.84	-51.46
COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1F	REAL300017613540	0	35	-1.0	-54.27	325.94	0.97	-53.30
COC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613541	0	33	-1.0	-51.68	303.88	0.63	-51.05
COC1=CC=C(C)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613542	0	36	-1.0	-52.08	310.80	0.49	-51.59
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COC1=CC(C)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1Cl	REAL300017613544	0	36	-1.0	-50.81	327.70	0.92	-49.89
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])S1	REAL300017613545	0	35	-1.0	-49.68	340.55	0.92	-48.76
CC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1F	REAL300017613546	0	36	-1.0	-54.44	327.82	-0.70	-55.14
COC1=CC(Cl)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1OC	REAL300017613547	0	37	-1.0	-51.10	326.98	-0.45	-51.55
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CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C	REAL300017613550	0	40	-1.0	-56.09	358.49	-2.75	-58.84
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C2S1	REAL300017613551	0	41	-1.0	-53.10	381.26	3.33	-49.77
COC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(Br)=C1	REAL300017613552	0	33	-1.0	-51.35	312.56	0.34	-51.01
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=N1	REAL300017613553	0	34	-1.0	-59.84	323.41	-4.11	-63.95
CC1=CC2=C(C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-])OCO2	REAL300017613554	0	35	-1.0	-51.45	307.33	-0.15	-51.60
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300017613555	0	35	-1.0	-50.81	333.66	1.42	-49.39
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613556	0	35	-1.0	-53.92	308.75	1.39	-52.53
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017613557	0	29	-1.0	-48.81	285.02	0.85	-47.96
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613558	0	35	-1.0	-48.37	299.13	1.85	-46.52
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COC1=CC2=C(C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-])OCC(=O)N2	REAL300017613560	0	39	-1.0	-54.56	337.81	-2.67	-57.23
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COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1OC	REAL300017613563	0	39	-1.0	-54.10	348.72	0.99	-53.11
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613564	0	33	-1.0	-55.35	317.89	-2.43	-57.78
CCOC1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613565	0	36	-1.0	-52.61	317.99	0.51	-52.10
CC1(C)CC2=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C2O1	REAL300017613566	0	40	-1.0	-53.37	332.07	1.34	-52.03
N#CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300017613567	0	33	-1.0	-52.66	323.31	1.46	-51.20
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613607	0	30	-1.0	-55.00	287.58	0.43	-54.57
COC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(=O)N(C)C	REAL300017613608	0	43	-1.0	-56.81	369.26	-0.14	-56.95
CC1CC2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC(Cl)=C2O1	REAL300017613609	0	37	-1.0	-51.62	340.40	1.39	-50.23
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017613610	0	34	-1.0	-50.99	310.85	1.46	-49.53
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017613611	0	43	-1.0	-50.81	381.57	2.89	-47.92
CC1=CC=C(Br)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613612	0	32	-1.0	-51.25	304.52	1.69	-49.56
COC(=O)C1=COC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613613	0	32	-1.0	-54.49	306.52	-0.98	-55.47
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=N1	REAL300017613614	0	40	-1.0	-56.90	354.37	1.04	-55.86
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017613615	0	31	-1.0	-52.10	298.63	-0.23	-52.33
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613616	0	39	-1.0	-57.65	334.00	0.49	-57.16
CC(=O)NC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C1C	REAL300017613617	0	39	-1.0	-60.05	341.51	0.08	-59.97
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017613618	0	34	-1.0	-58.74	313.74	0.34	-58.40
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CN1CCCC2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C21	REAL300017613620	0	41	-1.0	-51.82	340.86	0.83	-50.99
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017613621	0	31	-1.0	-50.96	301.37	-0.49	-51.45
CC1=CC=C(Cl)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613622	0	32	-1.0	-51.00	289.72	1.01	-49.99
COC1=CC=CC(OC)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613623	0	37	-1.0	-56.12	320.62	0.80	-55.32
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CN=C1Cl	REAL300017613624	0	31	-1.0	-50.59	297.28	-0.50	-51.09
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017613625	0	35	-1.0	-55.29	318.03	-0.66	-55.95
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017613626	0	28	-1.0	-53.06	287.80	0.03	-53.03
CC(C)(C)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])S1	REAL300017613627	0	38	-1.0	-50.20	339.63	1.93	-48.27
COC1=CC(OC)=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613628	0	37	-1.0	-52.98	325.62	-1.11	-54.09
N#CC1=CC=C(Cl)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613629	0	30	-1.0	-51.82	289.08	0.73	-51.09
CN1C=NC2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C21	REAL300017613630	0	35	-1.0	-57.89	314.90	1.62	-56.27
CC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300017613631	0	37	-1.0	-57.22	320.44	2.09	-55.13
CCC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1CC	REAL300017613632	0	41	-1.0	-50.78	343.68	2.85	-47.93
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613633	0	37	-1.0	-49.12	317.55	2.29	-46.83
CC1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1Cl	REAL300017613634	0	32	-1.0	-51.41	287.04	0.93	-50.48
COC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C(C)O1	REAL300017613635	0	35	-1.0	-52.32	326.26	-0.20	-52.52
NC1=NC=C(Cl)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613636	0	30	-1.0	-49.32	288.81	-1.83	-51.15
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017613637	0	35	-1.0	-54.44	297.06	1.46	-52.98
COC(=O)C1=NSC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613638	0	31	-1.0	-55.69	299.03	-0.86	-56.55
COC(=O)C1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])SC=N1	REAL300017613639	1	31	-1.0	-56.70	296.45	-1.59	-58.29
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC(C)=C1F	REAL300017613640	0	35	-1.0	-49.66	313.67	1.62	-48.04
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017613641	0	37	-1.0	-60.36	326.21	-1.26	-61.62
O=C([O-])C[C@@H](O)CNS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017613642	0	40	-1.0	-51.32	330.68	-1.65	-52.97
COC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CN1C	REAL300017613643	0	36	-1.0	-56.90	327.80	0.38	-56.52
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613644	0	40	-1.0	-53.29	349.25	2.12	-51.17
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017613645	0	32	-1.0	-53.54	312.43	1.54	-52.00
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017613646	0	32	-1.0	-54.51	312.99	1.56	-52.95
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017613647	0	29	-1.0	-52.81	282.71	1.07	-51.74
COC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CN=C1Cl	REAL300017613648	0	32	-1.0	-50.67	307.48	-1.75	-52.42
N#CC1=CC=C(F)C(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613649	0	33	-1.0	-56.29	316.55	1.41	-54.88
COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=N1	REAL300017613650	0	34	-1.0	-52.41	317.37	-0.89	-53.30
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017613651	0	28	-1.0	-50.99	284.28	-0.34	-51.33
COCC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613652	0	36	-1.0	-51.83	321.70	0.01	-51.82
COC1=CC(C#N)=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613653	0	34	-1.0	-52.21	307.90	0.50	-51.71
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613654	0	35	-1.0	-51.66	338.15	1.45	-50.21
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017613655	0	32	-1.0	-51.82	300.03	-2.16	-53.98
CCOC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=N1	REAL300017613656	0	35	-1.0	-50.94	315.67	-2.09	-53.03
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613657	0	38	-1.0	-62.78	351.66	-1.50	-64.28
CC(=O)NC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C1F	REAL300017613658	0	36	-1.0	-57.13	327.82	-0.71	-57.84
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C21	REAL300017613659	0	43	-1.0	-62.57	359.10	1.90	-60.67
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017613660	0	32	-1.0	-53.04	286.97	-1.17	-54.21
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613661	0	35	-1.0	-49.09	320.08	2.17	-46.92
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613662	0	46	-1.0	-56.63	403.43	0.00	-56.63
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613663	0	39	-1.0	-60.72	347.83	-2.37	-63.09
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C2CC1	REAL300017613664	0	46	-1.0	-58.19	379.81	2.25	-55.94
COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(F)(F)F	REAL300017613665	0	38	-1.0	-54.28	351.58	1.75	-52.53
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613666	0	38	-1.0	-50.46	328.52	2.26	-48.20
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017613667	0	32	-1.0	-50.71	292.65	1.17	-49.54
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017613668	0	32	-1.0	-50.85	308.30	2.36	-48.49
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613669	0	43	-1.0	-59.78	378.18	-1.52	-61.30
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613670	0	42	-1.0	-56.06	363.68	1.68	-54.38
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C1C	REAL300017613671	0	41	-1.0	-51.86	359.33	2.39	-49.47
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613672	0	41	-1.0	-55.93	365.45	2.65	-53.28
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1OC	REAL300017613673	0	40	-1.0	-55.43	362.14	0.08	-55.35
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C(F)C=C1C	REAL300017613674	0	41	-1.0	-50.79	357.54	2.14	-48.65
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CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613676	0	38	-1.0	-53.80	341.50	1.60	-52.20
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CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613678	0	43	-1.0	-55.44	385.77	-1.92	-57.36
O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=CC=CC=C1Br	REAL300017613679	0	32	-1.0	-53.62	307.18	1.55	-52.07
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CN1C	REAL300017613680	0	41	-1.0	-55.40	368.64	1.49	-53.91
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017613681	0	33	-1.0	-52.70	314.39	1.15	-51.55
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CC1=NC(Cl)=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613683	0	31	-1.0	-49.78	293.45	-0.21	-49.99
CC1=NC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C(Br)N1C	REAL300017613684	0	32	-1.0	-54.50	306.15	-0.17	-54.67
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CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613686	0	42	-1.0	-60.54	358.78	1.12	-59.42
COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(F)=C1	REAL300017613687	0	35	-1.0	-52.55	319.61	0.69	-51.86
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613688	0	40	-1.0	-54.87	357.27	-0.38	-55.25
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CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613690	0	41	-1.0	-57.40	370.29	-0.50	-57.90
COC(=O)C1(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])CCCC1	REAL300017613691	0	41	-1.0	-57.57	340.61	1.44	-56.13
COCC1=CC(Cl)=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613692	0	36	-1.0	-50.84	338.43	0.51	-50.33
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COC(=O)CC1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613695	0	38	-1.0	-56.13	343.59	1.72	-54.41
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COC(=O)C1(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])CCC1	REAL300017613697	0	38	-1.0	-57.81	325.17	0.69	-57.12
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COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613700	0	42	-1.0	-54.49	376.48	0.65	-53.84
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613701	0	45	-1.0	-54.25	398.34	1.57	-52.68
COC(=O)C1(CS(=O)(=O)NC[C@H](O)CC(=O)[O-])CCCCC1	REAL300017613702	0	44	-1.0	-56.67	352.83	1.77	-54.90
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613703	0	37	-1.0	-54.17	337.10	1.28	-52.89
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=N1	REAL300017613704	1	31	-1.0	-58.40	293.72	-0.72	-59.12
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C2	REAL300017613705	0	42	-1.0	-54.54	366.45	4.12	-50.42
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O=C([O-])C[C@@H](O)CNS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017613707	0	32	-1.0	-54.44	312.81	1.59	-52.85
COC1=CC=C(Br)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1F	REAL300017613708	0	33	-1.0	-53.86	315.59	0.51	-53.35
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613709	0	39	-1.0	-54.19	341.21	2.59	-51.60
O=C([O-])C[C@@H](O)CNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017613710	0	33	-1.0	-52.54	312.78	1.89	-50.65
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CC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C(C(N)=O)O1	REAL300017613713	0	33	-1.0	-54.36	307.93	-4.15	-58.51
CCCC1=CC=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613717	0	38	-1.0	-50.44	319.60	2.81	-47.63
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O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017613722	0	34	-1.0	-55.89	302.83	0.83	-55.06
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C21	REAL300017613723	0	49	-1.0	-58.46	393.60	2.75	-55.71
COC(=O)C1=CN(C)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613724	0	36	-1.0	-55.65	328.05	0.47	-55.18
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C21	REAL300017613725	0	43	-1.0	-53.15	362.16	0.36	-52.79
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017613726	0	44	-1.0	-63.61	377.31	2.93	-60.68
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C21	REAL300017613727	0	43	-1.0	-63.59	367.46	2.22	-61.37
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C2)C=C1	REAL300017613728	0	44	-1.0	-51.56	395.50	4.14	-47.42
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017613729	0	36	-1.0	-52.61	316.53	-0.04	-52.65
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=NN1C1CCC1	REAL300017613730	0	36	-1.0	-49.66	313.92	0.17	-49.49
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017613731	0	39	-1.0	-49.82	335.84	0.89	-48.93
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017613739	0	35	-1.0	-51.57	333.47	1.19	-50.38
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017613740	0	35	-1.0	-54.22	317.35	-2.48	-56.70
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(Br)C=CO1	REAL300017613741	1	26	-1.0	-51.22	269.76	-1.14	-52.36
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN=C2CCCCN12	REAL300017613742	0	36	-1.0	-53.37	311.58	0.27	-53.10
COC1=C(F)C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1F	REAL300017613743	0	33	-1.0	-50.14	312.50	-0.17	-50.31
COC1=CC(F)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1F	REAL300017613744	0	33	-1.0	-50.60	300.58	-0.60	-51.20
CCCCCOC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(C)C	REAL300017613745	0	54	-1.0	-50.52	441.09	4.89	-45.63
COC1=CC(C(C)C)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C	REAL300017613746	0	45	-1.0	-50.83	370.06	2.41	-48.42
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613747	0	39	-1.0	-51.46	333.09	1.70	-49.76
CCOCCOC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(C)C	REAL300017613748	0	52	-1.0	-52.98	432.08	2.75	-50.23
CC1CC2=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C2O1	REAL300017613749	0	37	-1.0	-53.38	311.53	0.70	-52.68
CC(C)(C)C1=NC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])S1	REAL300017613750	0	37	-1.0	-50.19	335.30	-0.05	-50.24
N#CC1(C2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C2)CC1	REAL300017613751	0	37	-1.0	-55.22	334.87	2.49	-52.73
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613752	0	33	-1.0	-52.10	305.16	0.91	-51.19
CC1=C(Br)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C(C)S1	REAL300017613753	0	32	-1.0	-49.18	310.88	1.65	-47.53
CC1=CC(Cl)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(Br)=C1	REAL300017613754	0	32	-1.0	-50.41	313.73	2.33	-48.08
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C21	REAL300017613755	0	46	-1.0	-60.63	376.43	2.31	-58.32
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017613756	0	35	-1.0	-53.39	318.90	0.84	-52.55
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C21	REAL300017613757	0	43	-1.0	-62.79	366.19	1.92	-60.87
CN1N=C(Br)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613758	0	29	-1.0	-49.47	288.58	-1.60	-51.07
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017613759	0	31	-1.0	-49.85	300.77	-0.53	-50.38
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613760	0	34	-1.0	-60.62	306.07	-0.23	-60.85
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017613761	0	33	-1.0	-53.25	314.61	0.53	-52.72
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017613762	0	30	-1.0	-50.46	281.51	-0.94	-51.40
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017613763	0	32	-1.0	-51.87	305.49	1.70	-50.17
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017613764	0	33	-1.0	-52.28	314.51	0.51	-51.77
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017613765	0	32	-1.0	-59.42	311.54	-0.02	-59.44
CN1N=C(C2CC2)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613766	0	36	-1.0	-50.78	319.94	-0.09	-50.87
CC1=CC(C)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C)=C1F	REAL300017613767	0	38	-1.0	-49.43	314.77	2.30	-47.13
COC1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1OC	REAL300017613768	0	37	-1.0	-53.59	324.05	0.08	-53.51
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017613769	0	38	-1.0	-58.30	334.95	-2.50	-60.80
N#CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C1Br	REAL300017613770	0	30	-1.0	-51.95	307.15	1.18	-50.77
COC1=CC=C(F)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1OC	REAL300017613771	0	37	-1.0	-53.65	326.07	0.60	-53.05
COC(=O)C1=C(Br)OC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613772	1	32	-1.0	-50.43	325.27	-0.34	-50.77
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(I)S1	REAL300017613773	0	26	-1.0	-48.83	286.79	0.48	-48.35
CN1C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C2CCCC2)=N1	REAL300017613774	0	42	-1.0	-52.49	339.61	0.51	-51.98
N#CC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C2=CC=CC=C2S1	REAL300017613775	0	33	-1.0	-52.33	317.48	2.20	-50.13
CN1C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C2CC2)=N1	REAL300017613777	0	36	-1.0	-53.14	310.37	-0.34	-53.48
O=C([O-])C[C@@H](O)CNC(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017613778	0	31	-1.0	-48.55	299.50	3.95	-44.60
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017613779	0	33	-1.0	-52.92	305.89	-0.14	-53.06
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017613780	0	33	-1.0	-55.01	314.65	0.54	-54.47
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017613781	0	32	-1.0	-54.47	296.07	-0.50	-54.97
CN1N=NC2=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=CC=C21	REAL300017613782	0	34	-1.0	-60.41	304.99	-1.30	-61.71
CC1=CC(C)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1Br	REAL300017613784	0	35	-1.0	-49.91	320.83	2.38	-47.53
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017613785	0	35	-1.0	-50.85	334.85	1.42	-49.43
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017613786	0	32	-1.0	-52.09	289.57	0.15	-51.94
CN1C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C2CCC2)=N1	REAL300017613787	0	39	-1.0	-52.61	322.38	0.01	-52.60
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613788	0	47	-1.0	-50.42	380.82	4.31	-46.11
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017613789	0	35	-1.0	-51.25	337.84	2.16	-49.09
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017613790	0	39	-1.0	-53.47	340.63	0.92	-52.55
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017613791	0	33	-1.0	-51.37	298.20	1.26	-50.11
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017613792	0	40	-1.0	-51.50	357.41	3.13	-48.37
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613793	0	42	-1.0	-57.84	356.43	-1.31	-59.15
COC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300017613794	0	38	-1.0	-60.82	332.07	1.50	-59.32
CCCC1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613795	0	38	-1.0	-50.89	331.02	2.49	-48.40
COC(=O)C1=NN(C)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613796	0	35	-1.0	-52.57	322.90	-1.38	-53.95
N#CC1=CC=C(F)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613797	0	30	-1.0	-52.66	278.62	0.10	-52.56
CN1N=C2CCCC2=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613798	0	36	-1.0	-51.56	312.35	-0.20	-51.76
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017613799	0	33	-1.0	-50.55	323.08	1.62	-48.93
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C2C=C1	REAL300017613800	0	41	-1.0	-53.84	367.31	3.19	-50.65
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300017613801	0	38	-1.0	-54.01	355.66	2.88	-51.13
CC(C)(C)N1N=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613802	0	38	-1.0	-49.59	312.55	0.29	-49.30
CC(C)(C)N1C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=N1	REAL300017613803	0	38	-1.0	-52.93	331.13	-0.01	-52.94
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CNN=C1C1CCC1	REAL300017613804	0	36	-1.0	-52.29	316.09	-0.67	-52.96
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CN=C1C(F)(F)F	REAL300017613805	0	34	-1.0	-50.91	317.55	0.10	-50.81
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017613806	0	32	-1.0	-49.06	311.77	1.35	-47.71
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017613807	0	29	-1.0	-51.28	287.54	0.80	-50.48
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017613808	0	29	-1.0	-49.79	298.36	0.37	-49.42
O=C([O-])C[C@@H](O)CNS(=O)(=O)N1CCC(F)(F)CC1	REAL300017613809	0	34	-1.0	-50.47	294.21	-0.52	-50.99
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017613810	0	32	-1.0	-49.55	318.53	1.70	-47.85
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017613811	0	32	-1.0	-55.72	286.65	1.76	-53.96
CCCC(=O)C1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613812	0	40	-1.0	-57.98	351.21	2.31	-55.67
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017613813	0	40	-1.0	-50.99	336.26	3.32	-47.67
CC1(C)OC(=O)C2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C21	REAL300017613814	0	39	-1.0	-58.30	346.87	1.97	-56.33
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017613815	0	35	-1.0	-50.87	329.10	1.32	-49.55
O=C([O-])C[C@@H](O)CNS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017613816	0	35	-1.0	-50.67	309.08	0.73	-49.94
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613817	0	34	-1.0	-52.75	317.66	0.79	-51.96
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613818	0	39	-1.0	-50.88	362.83	1.05	-49.83
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017613819	0	38	-1.0	-60.89	340.78	0.24	-60.65
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017613820	0	29	-1.0	-52.21	285.95	0.67	-51.54
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017613821	0	32	-1.0	-51.09	297.97	1.91	-49.18
COC(=O)C1=C(C)SC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613822	0	35	-1.0	-51.19	332.81	0.62	-50.57
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017613823	0	36	-1.0	-51.07	314.12	2.14	-48.93
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300017613824	0	31	-1.0	-49.56	321.01	0.50	-49.06
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017613825	0	39	-1.0	-49.54	331.38	0.89	-48.65
CCC(C)N1N=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613826	0	38	-1.0	-50.14	326.58	0.17	-49.97
CNC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613827	0	38	-1.0	-58.03	337.84	-2.20	-60.23
CS(=O)(=O)C1=CSC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613828	0	32	-1.0	-58.55	320.57	-3.22	-61.77
CN(C1CCCCCC1)S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613829	0	43	-1.0	-49.61	331.99	1.07	-48.54
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613830	0	33	-1.0	-50.28	299.83	0.23	-50.05
CN1C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C2CCOCC2)=N1	REAL300017613831	0	43	-1.0	-53.22	365.12	-0.59	-53.81
CC(F)(F)C1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613832	0	35	-1.0	-52.21	319.85	1.81	-50.40
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017613833	0	33	-1.0	-52.92	305.89	-0.14	-53.06
O=C([O-])C[C@@H](O)CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017613834	0	44	-1.0	-51.27	362.21	2.95	-48.32
CC1=CC(C)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C2=NC=CC=C12	REAL300017613835	0	40	-1.0	-58.20	328.66	2.21	-55.99
O=C([O-])C[C@@H](O)CNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017613836	0	37	-1.0	-51.54	322.16	0.40	-51.14
CCOCC1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613837	0	39	-1.0	-52.47	343.56	0.97	-51.50
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300017613838	0	32	-1.0	-51.52	325.91	2.28	-49.24
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613841	0	39	-1.0	-51.96	346.31	1.46	-50.50
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017613842	0	42	-1.0	-52.00	353.02	1.22	-50.78
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017613843	0	40	-1.0	-51.19	355.30	3.13	-48.06
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC(C)=C1Br	REAL300017613844	0	35	-1.0	-49.57	324.33	2.03	-47.54
CCN1N=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1Cl	REAL300017613845	0	32	-1.0	-49.99	299.71	-1.17	-51.16
O=C([O-])C[C@@H](O)CNS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017613846	0	33	-1.0	-52.50	316.80	1.98	-50.52
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C2	REAL300017613847	0	35	-1.0	-51.54	351.72	1.50	-50.04
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017613849	0	31	-1.0	-51.84	300.50	-0.77	-52.61
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017613850	0	34	-1.0	-57.34	323.09	1.46	-55.88
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017613851	0	34	-1.0	-56.87	319.79	1.28	-55.59
CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C2=CC=CC=C12	REAL300017613852	0	38	-1.0	-53.44	325.34	3.17	-50.27
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613853	0	33	-1.0	-54.09	318.46	1.29	-52.80
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017613854	0	36	-1.0	-53.35	324.55	0.65	-52.70
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C21	REAL300017613855	0	43	-1.0	-53.13	371.21	1.80	-51.33
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017613856	0	29	-1.0	-50.33	286.88	0.57	-49.76
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])O1	REAL300017613857	0	35	-1.0	-60.96	330.25	-3.43	-64.39
CN1C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300017613858	0	39	-1.0	-52.43	333.76	1.18	-51.25
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017613859	0	35	-1.0	-54.63	337.84	-2.31	-56.94
O=C([O-])C[C@@H](O)CNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017613860	0	33	-1.0	-51.75	304.94	1.53	-50.22
O=C([O-])C[C@@H](O)CNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017613861	0	33	-1.0	-51.35	319.84	2.08	-49.27
O=C([O-])C[C@@H](O)CNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017613862	0	33	-1.0	-51.27	319.82	2.09	-49.18
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017613863	0	33	-1.0	-50.43	310.45	1.60	-48.83
COC(=O)C1CCCCN1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613864	0	40	-1.0	-54.43	333.33	0.80	-53.63
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C21	REAL300017613865	0	51	-1.0	-50.36	396.22	4.46	-45.90
N#CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017613866	0	32	-1.0	-56.77	312.09	1.09	-55.68
COC1=CC=C(C=C(C)S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613867	0	40	-1.0	-52.32	340.60	1.27	-51.05
COC(=O)C=CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613868	0	39	-1.0	-53.97	353.29	2.18	-51.79
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=NN1	REAL300017613869	0	35	-1.0	-52.43	326.83	-1.91	-54.34
COC1=CSC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1OC	REAL300017613870	0	34	-1.0	-52.71	315.46	-1.85	-54.56
O=C([O-])C[C@@H](O)CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017613871	0	41	-1.0	-49.93	326.70	0.76	-49.17
CN(CCC1=CC=CC=C1)S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613872	0	40	-1.0	-51.69	346.92	2.17	-49.52
O=C([O-])C[C@@H](O)CNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017613873	0	40	-1.0	-49.86	341.44	7.01	-42.85
O=C([O-])C[C@@H](O)CNC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017613874	0	46	-1.0	-48.86	362.54	6.44	-42.42
CC(C)(C)OC(=O)N1CCN(C(=O)NC[C@H](O)CC(=O)[O-])CC1	REAL300017613875	0	47	-1.0	-49.91	367.15	2.99	-46.92
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613876	0	48	-1.0	-52.10	381.25	3.47	-48.63
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613877	0	33	-1.0	-51.22	317.27	1.45	-49.77
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017613878	0	33	-1.0	-52.05	308.11	1.16	-50.89
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017613879	0	33	-1.0	-52.69	312.13	-0.07	-52.76
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613880	0	35	-1.0	-51.94	311.05	0.22	-51.72
CN1C=CC2=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C21	REAL300017613881	0	36	-1.0	-54.28	320.34	2.04	-52.24
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017613882	0	32	-1.0	-54.60	296.28	1.81	-52.79
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017613883	0	38	-1.0	-51.90	345.54	0.77	-51.13
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017613884	0	26	-1.0	-47.72	291.71	0.38	-47.34
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613885	0	42	-1.0	-53.44	356.27	2.56	-50.88
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017613886	0	46	-1.0	-52.96	385.05	2.18	-50.78
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017613887	0	32	-1.0	-50.73	322.88	1.70	-49.03
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017613888	0	34	-1.0	-53.76	318.08	0.92	-52.84
COC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613889	0	37	-1.0	-57.04	320.39	0.09	-56.95
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(I)C=CS1	REAL300017613890	0	26	-1.0	-49.78	280.98	0.17	-49.61
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017613891	0	40	-1.0	-53.52	355.32	3.12	-50.40
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613892	0	35	-1.0	-56.18	303.39	2.29	-53.89
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017613893	0	34	-1.0	-55.20	321.49	-1.13	-56.33
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017613894	0	30	-1.0	-52.19	301.81	-0.86	-53.05
CC1=CC(Cl)=NC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613895	0	31	-1.0	-49.60	293.75	-0.20	-49.80
C=C(C)COC1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613896	0	40	-1.0	-53.03	350.31	1.91	-51.12
CCN1C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C2CC2)=N1	REAL300017613897	0	39	-1.0	-52.97	331.90	0.53	-52.44
CC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C2=NSN=C2C=C1	REAL300017613898	0	33	-1.0	-54.87	304.65	-0.33	-55.20
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017613899	0	35	-1.0	-50.92	329.26	3.06	-47.86
CC(=O)OC1CCN(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C1	REAL300017613900	0	37	-1.0	-53.93	326.57	-0.55	-54.48
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017613901	0	39	-1.0	-50.64	357.56	4.22	-46.42
CCC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C1Br	REAL300017613902	0	35	-1.0	-49.46	325.66	2.16	-47.30
CC1=NN(C2CCCC2)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613903	0	42	-1.0	-50.32	353.78	1.33	-48.99
COCCC1=CC=C(OC)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613904	0	43	-1.0	-53.45	363.72	0.61	-52.84
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017613905	0	35	-1.0	-52.00	313.98	2.58	-49.42
CN1N=C2CCOCC2=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613906	0	37	-1.0	-51.12	317.28	-2.05	-53.17
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300017613907	0	35	-1.0	-52.09	331.47	0.11	-51.98
CC(=O)OCC1CCN(S(=O)(=O)NC[C@H](O)CC(=O)[O-])CC1	REAL300017613908	0	43	-1.0	-54.85	359.97	0.94	-53.91
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613909	0	43	-1.0	-57.96	376.49	0.94	-57.02
O=C([O-])C[C@@H](O)CNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017613910	0	39	-1.0	-51.97	328.86	-1.94	-53.91
COC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C)=N1	REAL300017613911	0	35	-1.0	-50.21	309.61	-2.26	-52.47
COC1=NC=C(C)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613912	0	35	-1.0	-52.28	306.47	-1.86	-54.14
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017613913	0	44	-1.0	-52.10	368.51	0.66	-51.44
COC1=NC=C(Cl)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613914	0	32	-1.0	-49.89	301.76	-2.01	-51.90
COC1=NC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C	REAL300017613915	0	35	-1.0	-51.00	313.95	-2.30	-53.30
CC(C)CN1C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=N1	REAL300017613916	0	38	-1.0	-53.05	334.05	0.38	-52.67
CC1=NN(C(C)C)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613917	0	38	-1.0	-52.41	330.28	-0.01	-52.42
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017613918	0	28	-1.0	-53.46	293.97	-1.74	-55.20
O=C([O-])C[C@@H](O)CNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017613919	0	33	-1.0	-51.17	329.50	2.40	-48.77
COC(=O)C1=NC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C	REAL300017613920	0	37	-1.0	-52.06	333.41	-0.34	-52.40
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613921	0	32	-1.0	-57.19	304.85	2.17	-55.02
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=NN1CC1CC1	REAL300017613922	0	36	-1.0	-49.94	315.25	0.44	-49.50
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017613923	0	36	-1.0	-53.44	317.80	1.57	-51.87
O=C([O-])C[C@@H](O)CNS(=O)(=O)N1CCC2=CC=CN=C21	REAL300017613924	0	34	-1.0	-54.85	301.75	0.67	-54.18
CC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=NN1C(C)C	REAL300017613925	0	38	-1.0	-52.61	329.91	0.08	-52.53
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017613926	0	36	-1.0	-54.43	326.50	2.48	-51.95
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017613927	0	31	-1.0	-51.83	293.97	-0.70	-52.53
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613928	0	43	-1.0	-51.78	375.44	3.85	-47.93
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017613929	0	36	-1.0	-52.78	328.16	2.52	-50.26
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017613930	0	33	-1.0	-53.24	310.05	0.43	-52.81
O=C([O-])C[C@@H](O)CNC(=O)N1CC=C(Br)CC1	REAL300017613931	0	31	-1.0	-47.35	277.65	2.77	-44.58
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017613932	0	32	-1.0	-52.41	297.07	0.90	-51.51
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613933	0	37	-1.0	-58.29	324.30	-3.92	-62.21
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017613935	0	36	-1.0	-54.56	322.19	2.67	-51.89
CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(Cl)=C1Cl	REAL300017613936	0	32	-1.0	-50.98	302.28	1.40	-49.58
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017613937	0	33	-1.0	-48.85	310.87	-0.18	-49.03
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017613938	0	36	-1.0	-51.97	330.60	1.15	-50.82
COC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C(F)F)=C1	REAL300017613939	0	36	-1.0	-51.47	320.42	0.81	-50.66
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613940	0	35	-1.0	-49.80	323.90	-1.55	-51.35
CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C2=NC=CC=C12	REAL300017613941	0	37	-1.0	-56.39	316.60	1.93	-54.46
O=C([O-])C[C@@H](O)CNC(=O)N1CC(OCC2=CC=CC=C2)C1	REAL300017613942	0	41	-1.0	-50.37	350.06	3.55	-46.82
CC(C)(C)OC(=O)NC1CN(C(=O)NC[C@H](O)CC(=O)[O-])C1	REAL300017613943	0	44	-1.0	-51.62	360.90	0.33	-51.29
CC(=O)OCC1CCN(C(=O)NC[C@H](O)CC(=O)[O-])CC1	REAL300017613944	0	42	-1.0	-52.68	341.53	3.82	-48.86
O=C([O-])C[C@@H](O)CNS(=O)(=O)N1CC=C(Br)CC1	REAL300017613945	0	32	-1.0	-50.32	298.08	0.00	-50.32
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613947	0	42	-1.0	-52.27	348.27	2.31	-49.96
CC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C(Cl)S1	REAL300017613948	0	29	-1.0	-48.82	292.33	0.72	-48.10
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017613949	0	36	-1.0	-53.79	332.15	0.90	-52.89
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C2CCCCN2N=C1	REAL300017613950	0	36	-1.0	-52.64	310.72	-0.36	-53.00
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300017613955	0	32	-1.0	-47.42	296.98	5.64	-41.78
O=C([O-])C[C@H]1CCCN1C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21	REAL300017613975	0	46	-1.0	-52.49	372.57	11.74	-40.75
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017613976	0	37	-1.0	-55.78	328.06	0.00	-55.78
N#CC1=CC=CC=C1CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017613977	0	36	-1.0	-54.68	316.13	5.98	-48.70
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017613978	0	40	-1.0	-59.32	336.85	6.58	-52.74
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1C	REAL300017613979	0	40	-1.0	-57.23	329.84	6.42	-50.81
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300017613980	0	38	-1.0	-51.71	318.33	4.21	-47.50
CN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(=O)N(C)C1=O	REAL300017613981	0	38	-1.0	-66.22	320.15	3.81	-62.41
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017613982	0	38	-1.0	-54.32	309.72	4.05	-50.27
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300017613983	0	35	-1.0	-57.01	305.58	2.55	-54.46
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300017613984	0	34	-1.0	-61.04	292.07	6.44	-54.60
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017613985	0	39	-1.0	-52.90	341.87	6.39	-46.51
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017613986	0	39	-1.0	-51.16	325.56	5.24	-45.92
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C=C1F	REAL300017613987	0	32	-1.0	-52.90	283.14	5.05	-47.85
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1C	REAL300017613988	0	44	-1.0	-51.08	331.34	7.56	-43.52
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1	REAL300017613989	0	41	-1.0	-50.68	319.00	7.12	-43.56
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017613990	0	47	-1.0	-52.38	358.42	7.54	-44.84
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300017613991	0	32	-1.0	-46.24	305.75	6.02	-40.22
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300017613992	0	32	-1.0	-46.31	286.54	5.17	-41.14
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300017613993	0	32	-1.0	-47.70	298.00	5.57	-42.13
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300017613994	0	35	-1.0	-48.96	312.95	6.02	-42.94
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300017613995	0	35	-1.0	-58.20	294.42	6.28	-51.92
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300017613996	0	35	-1.0	-46.48	326.00	6.42	-40.06
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300017613997	0	32	-1.0	-49.29	290.95	5.54	-43.75
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300017613998	0	35	-1.0	-48.65	320.35	6.06	-42.59
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017613999	0	37	-1.0	-51.82	316.98	5.51	-46.31
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300017614000	0	36	-1.0	-56.78	322.57	4.79	-51.99
CC1=CC=C(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300017614338	0	38	-1.0	-50.71	325.48	6.28	-44.43
N#CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614339	0	36	-1.0	-58.69	316.46	6.18	-52.51
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC(F)=C1F	REAL300017614340	0	38	-1.0	-49.56	339.45	5.79	-43.77
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017614341	0	44	-1.0	-53.04	358.04	6.51	-46.53
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017614342	0	50	-1.0	-49.54	360.90	6.72	-42.82
CC1=NC2=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=CC=C2C=C1	REAL300017614343	0	40	-1.0	-62.61	332.33	6.51	-56.10
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017614344	0	40	-1.0	-53.34	339.73	6.74	-46.60
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017614345	0	43	-1.0	-50.59	351.28	3.34	-47.25
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614346	0	46	-1.0	-59.28	392.48	6.16	-53.12
CCCN1C=NC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614347	0	38	-1.0	-57.10	322.16	5.80	-51.30
N#CC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Br	REAL300017614348	0	33	-1.0	-49.62	317.21	5.88	-43.74
N#CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=CS1	REAL300017614349	0	30	-1.0	-61.25	279.44	4.26	-56.99
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1CCC(F)CC1	REAL300017614350	0	41	-1.0	-51.78	322.63	6.25	-45.53
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1Cl	REAL300017614351	0	35	-1.0	-49.30	309.57	6.10	-43.20
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017614352	0	38	-1.0	-64.30	320.70	5.75	-58.55
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2)=N1	REAL300017614353	0	41	-1.0	-50.33	358.81	6.24	-44.09
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1F	REAL300017614354	0	38	-1.0	-58.63	346.36	6.11	-52.52
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614355	0	41	-1.0	-55.60	351.80	6.27	-49.33
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614356	0	38	-1.0	-51.31	331.10	6.86	-44.45
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017614357	0	35	-1.0	-52.74	317.72	6.27	-46.47
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017614358	0	32	-1.0	-47.47	311.86	6.18	-41.29
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614359	0	39	-1.0	-55.87	329.76	2.49	-53.38
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614360	0	57	-1.0	-49.98	454.17	9.97	-40.01
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614361	0	47	-1.0	-54.56	384.08	7.35	-47.21
CCC1CCN(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	REAL300017614362	0	43	-1.0	-50.02	331.63	5.45	-44.57
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017614363	0	38	-1.0	-50.88	326.70	6.42	-44.46
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300017614364	0	38	-1.0	-50.41	325.82	6.39	-44.02
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017614365	0	38	-1.0	-49.73	332.94	6.73	-43.00
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614366	0	36	-1.0	-49.09	326.12	5.53	-43.56
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])C(=O)NCCC2	REAL300017614367	0	47	-1.0	-60.29	375.08	3.92	-56.37
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])S2)C1	REAL300017614368	0	43	-1.0	-57.52	364.16	5.51	-52.01
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017614369	0	39	-1.0	-54.14	344.53	7.46	-46.68
COC1CCN(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	REAL300017614370	0	41	-1.0	-50.74	325.01	3.21	-47.53
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017614371	0	35	-1.0	-52.34	320.95	6.39	-45.95
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614372	0	45	-1.0	-51.61	364.29	6.68	-44.93
CC(CC(F)(F)F)CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614373	0	37	-1.0	-51.01	310.31	5.05	-45.96
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017614374	0	39	-1.0	-61.06	333.57	6.59	-54.47
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=C2)=N1	REAL300017614375	0	44	-1.0	-57.15	360.30	4.31	-52.84
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614376	0	36	-1.0	-51.66	305.54	4.92	-46.74
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])O1	REAL300017614377	0	38	-1.0	-54.00	331.22	4.41	-49.59
CCC1=NC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CN1CC1CC1	REAL300017614378	0	45	-1.0	-60.57	370.21	6.72	-53.85
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2C1	REAL300017614379	0	43	-1.0	-53.59	356.07	5.23	-48.36
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017614380	0	35	-1.0	-50.65	313.75	4.29	-46.36
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017614381	0	35	-1.0	-62.89	321.09	4.77	-58.12
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(C)C	REAL300017614382	0	51	-1.0	-51.83	405.28	8.10	-43.73
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017614383	0	40	-1.0	-47.21	331.05	6.76	-40.45
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614384	0	39	-1.0	-49.70	319.64	4.89	-44.81
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017614385	0	45	-1.0	-50.17	374.02	7.27	-42.90
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017614386	0	46	-1.0	-49.94	391.31	8.41	-41.53
COC(CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])C1=CC=C(F)C=C1	REAL300017614387	0	42	-1.0	-52.37	355.39	6.15	-46.22
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017614388	0	44	-1.0	-53.39	356.49	6.20	-47.19
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Cl	REAL300017614389	0	40	-1.0	-52.05	355.89	3.91	-48.14
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=CC=C12	REAL300017614390	0	44	-1.0	-54.13	360.04	7.27	-46.86
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300017614391	0	43	-1.0	-56.63	358.49	4.09	-52.54
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017614392	0	41	-1.0	-50.43	323.47	6.02	-44.41
CCOC1(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CCOCC1	REAL300017614393	0	46	-1.0	-51.78	352.54	3.57	-48.21
CCOC(CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])C1CC1	REAL300017614394	0	42	-1.0	-53.36	340.33	5.15	-48.21
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1F	REAL300017614395	0	38	-1.0	-58.57	336.03	5.67	-52.90
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=C(Cl)C=C21	REAL300017614396	0	43	-1.0	-54.21	361.98	6.17	-48.04
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614397	0	35	-1.0	-48.59	314.40	3.71	-44.88
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017614398	0	43	-1.0	-55.49	372.84	8.85	-46.64
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614399	0	35	-1.0	-49.91	309.80	5.83	-44.08
CC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1Br	REAL300017614400	0	35	-1.0	-48.67	301.72	5.68	-42.99
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614401	0	38	-1.0	-59.50	325.35	6.01	-53.49
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017614402	0	40	-1.0	-51.42	332.11	2.51	-48.91
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614403	0	36	-1.0	-50.68	324.63	4.97	-45.71
COC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017614404	0	38	-1.0	-50.01	329.35	5.80	-44.21
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614405	0	38	-1.0	-52.24	321.36	6.23	-46.01
COCCN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300017614406	0	39	-1.0	-53.60	333.95	2.41	-51.19
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614407	0	45	-1.0	-54.55	361.53	6.43	-48.12
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017614408	0	39	-1.0	-54.22	338.57	5.56	-48.66
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1C	REAL300017614409	0	59	-1.0	-48.39	461.22	9.63	-38.76
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017614410	0	40	-1.0	-53.49	348.51	7.03	-46.46
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017614411	0	32	-1.0	-46.23	300.84	5.72	-40.51
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017614412	0	35	-1.0	-56.23	309.37	5.86	-50.37
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017614413	0	39	-1.0	-61.45	338.43	2.91	-58.54
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C21	REAL300017614414	0	41	-1.0	-50.32	349.77	6.01	-44.31
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614415	0	35	-1.0	-47.59	300.65	5.75	-41.84
COCC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614416	0	39	-1.0	-51.65	316.28	4.87	-46.78
COC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1Br	REAL300017614417	0	36	-1.0	-48.92	323.76	5.01	-43.91
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C(Cl)S1	REAL300017614418	0	35	-1.0	-55.19	337.34	1.94	-53.25
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017614419	0	35	-1.0	-48.98	318.07	3.86	-45.12
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C2O1	REAL300017614420	0	43	-1.0	-51.70	350.10	5.99	-45.71
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300017614421	0	40	-1.0	-54.29	352.77	1.78	-52.51
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300017614422	0	43	-1.0	-53.39	374.24	2.68	-50.71
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1OC	REAL300017614423	0	49	-1.0	-54.15	404.85	4.20	-49.95
CCC1=CC=C(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614424	0	41	-1.0	-52.84	340.20	7.21	-45.63
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614425	0	36	-1.0	-50.95	312.84	4.42	-46.53
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017614426	0	47	-1.0	-49.84	387.59	5.48	-44.36
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614427	0	41	-1.0	-55.84	356.27	3.42	-52.42
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017614428	0	34	-1.0	-48.84	321.47	4.66	-44.18
CC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1Br	REAL300017614429	0	37	-1.0	-48.58	332.88	6.17	-42.41
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614430	0	37	-1.0	-58.66	321.67	5.44	-53.22
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614431	0	33	-1.0	-48.17	315.96	6.06	-42.11
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Br	REAL300017614432	0	39	-1.0	-53.41	345.89	5.91	-47.50
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017614433	0	46	-1.0	-54.84	392.28	4.28	-50.56
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017614434	0	35	-1.0	-55.64	307.94	5.81	-49.83
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614435	0	45	-1.0	-52.17	380.97	6.74	-45.43
CC1(C)CN(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CCO1	REAL300017614436	0	41	-1.0	-49.90	320.29	3.21	-46.69
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300017614437	0	42	-1.0	-50.89	346.28	5.63	-45.26
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614438	0	48	-1.0	-50.67	386.12	7.35	-43.32
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017614439	0	46	-1.0	-51.35	368.59	7.29	-44.06
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614440	0	45	-1.0	-50.76	367.16	6.74	-44.02
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614441	0	42	-1.0	-50.84	347.06	6.04	-44.80
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Cl	REAL300017614442	0	36	-1.0	-48.81	319.35	4.91	-43.90
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017614443	0	36	-1.0	-52.24	329.40	5.14	-47.10
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300017614444	0	39	-1.0	-50.96	323.39	5.09	-45.87
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1OC(C)C	REAL300017614445	0	45	-1.0	-50.59	363.64	6.68	-43.91
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1	REAL300017614446	0	39	-1.0	-50.51	311.73	4.51	-46.00
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614447	0	43	-1.0	-52.87	359.19	4.51	-48.36
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300017614448	0	46	-1.0	-52.30	378.87	5.29	-47.01
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300017614449	0	35	-1.0	-52.53	302.64	5.79	-46.74
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614450	0	43	-1.0	-55.98	364.97	4.68	-51.30
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017614451	0	47	-1.0	-56.66	375.93	4.21	-52.45
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614452	0	42	-1.0	-56.70	344.45	4.85	-51.85
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(Br)=C1	REAL300017614453	0	35	-1.0	-48.17	305.22	5.82	-42.35
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614454	0	38	-1.0	-52.09	342.03	2.57	-49.52
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614455	0	38	-1.0	-51.20	328.53	6.10	-45.10
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Cl	REAL300017614456	0	33	-1.0	-47.10	310.05	5.86	-41.24
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614457	0	35	-1.0	-48.36	303.62	5.83	-42.53
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1C	REAL300017614458	0	40	-1.0	-50.66	317.60	7.52	-43.14
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614459	0	38	-1.0	-54.65	335.98	5.71	-48.94
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614460	0	41	-1.0	-55.83	342.96	2.74	-53.09
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C(F)(F)F)=C1	REAL300017614461	0	36	-1.0	-55.65	315.13	6.67	-48.98
N#CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1Cl	REAL300017614462	0	33	-1.0	-46.91	310.08	5.86	-41.05
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614463	0	48	-1.0	-56.65	386.09	6.73	-49.92
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017614464	0	44	-1.0	-54.08	382.84	2.89	-51.19
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614465	0	40	-1.0	-55.04	350.83	1.18	-53.86
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300017614466	0	42	-1.0	-56.91	370.19	3.75	-53.16
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])O1	REAL300017614467	0	35	-1.0	-62.87	311.02	4.69	-58.18
CC1=NC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300017614468	0	34	-1.0	-51.07	297.24	3.51	-47.56
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017614469	0	34	-1.0	-66.19	291.89	6.84	-59.35
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017614470	0	35	-1.0	-52.47	331.10	6.77	-45.70
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C(C)N1	REAL300017614471	0	45	-1.0	-49.60	369.05	5.71	-43.89
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017614472	0	32	-1.0	-55.40	291.48	5.91	-49.49
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])S2)=CS1	REAL300017614473	0	38	-1.0	-51.79	353.07	5.36	-46.43
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017614474	0	52	-1.0	-50.66	408.80	8.64	-42.02
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017614475	0	42	-1.0	-54.48	371.48	4.60	-49.88
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614476	0	41	-1.0	-59.50	338.33	5.82	-53.68
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017614477	0	34	-1.0	-55.85	311.18	7.07	-48.78
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1OC	REAL300017614478	0	40	-1.0	-54.37	335.43	4.19	-50.18
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1OC	REAL300017614479	0	43	-1.0	-54.16	340.99	4.40	-49.76
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017614480	0	34	-1.0	-44.68	311.66	6.71	-37.97
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614481	0	40	-1.0	-61.18	332.08	6.57	-54.61
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017614482	0	35	-1.0	-59.23	313.73	5.92	-53.31
CN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(N)=O	REAL300017614483	0	37	-1.0	-52.49	316.71	0.95	-51.54
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614484	0	35	-1.0	-48.37	299.05	5.72	-42.65
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614485	0	43	-1.0	-56.42	349.02	4.98	-51.44
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CN1C	REAL300017614486	0	40	-1.0	-54.85	338.34	2.66	-52.19
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1	REAL300017614487	0	42	-1.0	-50.85	327.02	5.74	-45.11
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017614488	0	40	-1.0	-53.21	341.05	4.23	-48.98
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614489	0	41	-1.0	-54.06	352.12	6.43	-47.63
COC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	REAL300017614490	0	43	-1.0	-52.61	345.23	4.57	-48.04
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017614491	0	43	-1.0	-54.25	349.20	5.18	-49.07
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614492	0	41	-1.0	-60.75	353.60	6.23	-54.52
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])O1	REAL300017614493	0	38	-1.0	-63.23	332.88	5.62	-57.61
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614494	0	45	-1.0	-55.57	381.02	6.09	-49.48
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300017614495	0	42	-1.0	-52.04	331.27	5.23	-46.81
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017614496	0	36	-1.0	-51.39	311.00	5.13	-46.26
CCOC(=O)CCCS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614497	0	40	-1.0	-58.80	336.54	5.25	-53.55
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017614498	0	35	-1.0	-56.90	304.24	6.66	-50.24
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017614499	0	34	-1.0	-54.98	313.77	7.09	-47.89
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614500	0	37	-1.0	-50.92	300.69	6.99	-43.93
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017614501	0	34	-1.0	-44.03	312.03	5.82	-38.21
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Br)C=CS1	REAL300017614502	0	29	-1.0	-52.96	272.43	5.41	-47.55
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017614503	0	36	-1.0	-49.18	306.61	4.96	-44.22
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300017614504	0	40	-1.0	-53.66	320.79	6.27	-47.39
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017614505	0	34	-1.0	-53.65	310.50	4.21	-49.44
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017614506	0	40	-1.0	-57.46	336.50	4.17	-53.29
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017614507	0	31	-1.0	-44.73	298.18	3.81	-40.92
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017614508	0	34	-1.0	-52.27	304.96	5.65	-46.62
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017614509	0	34	-1.0	-50.00	318.24	6.17	-43.83
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614510	0	41	-1.0	-59.88	357.42	3.36	-56.52
CCN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300017614511	0	37	-1.0	-48.33	318.35	5.20	-43.13
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017614512	0	34	-1.0	-66.38	300.75	6.23	-60.15
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017614513	0	34	-1.0	-46.09	308.46	5.78	-40.31
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017614514	0	39	-1.0	-51.69	345.14	5.71	-45.98
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017614515	0	34	-1.0	-57.05	315.97	7.20	-49.85
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017614516	0	46	-1.0	-51.51	385.09	8.32	-43.19
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(F)=C1	REAL300017614517	0	40	-1.0	-59.30	350.28	1.68	-57.62
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614518	0	40	-1.0	-53.13	335.67	6.04	-47.09
CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	REAL300017614519	0	45	-1.0	-51.57	362.43	3.85	-47.72
COC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017614520	0	41	-1.0	-54.87	350.42	6.15	-48.72
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017614521	0	42	-1.0	-49.28	360.10	6.35	-42.93
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017614522	0	35	-1.0	-70.57	299.88	4.16	-66.41
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614523	0	54	-1.0	-50.24	411.69	7.98	-42.26
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614524	0	40	-1.0	-56.05	351.38	1.65	-54.40
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300017614525	0	35	-1.0	-50.60	305.20	5.64	-44.96
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1F	REAL300017614526	0	38	-1.0	-53.85	338.92	2.60	-51.25
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC=CC=C12	REAL300017614527	0	45	-1.0	-52.42	359.73	7.03	-45.39
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614528	0	42	-1.0	-55.76	341.89	6.42	-49.34
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017614529	0	37	-1.0	-68.16	322.44	5.17	-62.99
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017614530	0	39	-1.0	-50.58	334.68	5.91	-44.67
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017614531	0	34	-1.0	-46.81	318.50	6.13	-40.68
N#CC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614532	0	33	-1.0	-47.34	292.07	4.85	-42.49
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614533	0	46	-1.0	-52.89	381.04	5.48	-47.41
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614534	0	48	-1.0	-50.66	390.06	7.60	-43.06
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017614535	0	34	-1.0	-50.63	294.91	6.20	-44.43
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1F	REAL300017614536	0	38	-1.0	-53.10	333.18	5.73	-47.37
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C(Cl)C=C1Cl	REAL300017614537	0	38	-1.0	-46.92	348.48	6.09	-40.83
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614538	0	42	-1.0	-56.13	353.78	5.52	-50.61
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300017614539	0	38	-1.0	-53.80	343.46	5.43	-48.37
COC(=O)C1=CSC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614540	0	35	-1.0	-57.08	322.05	4.49	-52.59
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614541	0	44	-1.0	-59.03	353.74	6.41	-52.62
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1Cl	REAL300017614542	0	38	-1.0	-52.00	341.16	6.08	-45.92
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1C	REAL300017614543	0	41	-1.0	-50.07	344.42	6.19	-43.88
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614544	0	38	-1.0	-55.66	331.46	5.62	-50.04
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017614545	0	42	-1.0	-53.29	324.90	7.41	-45.88
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017614546	0	38	-1.0	-57.39	324.61	6.75	-50.64
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300017614547	0	31	-1.0	-48.42	290.42	3.81	-44.61
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017614548	0	36	-1.0	-50.88	330.60	6.48	-44.40
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300017614549	0	37	-1.0	-52.04	308.65	4.05	-47.99
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017614550	0	37	-1.0	-48.71	324.51	0.51	-48.20
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2S1	REAL300017614551	0	46	-1.0	-51.26	385.64	6.70	-44.56
COC(=O)CC1(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	REAL300017614552	0	41	-1.0	-52.79	338.85	5.58	-47.21
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614553	0	37	-1.0	-56.64	334.30	5.17	-51.47
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C(F)C=C1F	REAL300017614554	0	35	-1.0	-52.37	303.45	5.68	-46.69
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614555	0	39	-1.0	-52.42	338.63	6.04	-46.38
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C21	REAL300017614556	0	44	-1.0	-51.79	363.23	6.29	-45.50
CCCCCCN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(=O)NC1=O	REAL300017614557	0	50	-1.0	-65.72	407.47	5.71	-60.01
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2F)N=C1	REAL300017614558	0	42	-1.0	-51.82	357.43	6.91	-44.91
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300017614559	0	39	-1.0	-54.08	351.69	4.21	-49.87
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614560	0	39	-1.0	-60.00	338.88	-0.40	-60.40
CC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300017614561	0	35	-1.0	-52.30	303.43	5.70	-46.60
CC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017614562	0	37	-1.0	-53.49	326.82	6.30	-47.19
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300017614563	0	29	-1.0	-61.54	275.89	4.59	-56.95
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300017614564	0	38	-1.0	-50.79	333.24	6.00	-44.79
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017614565	0	29	-1.0	-47.81	296.10	5.08	-42.73
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017614566	0	35	-1.0	-49.22	318.87	6.29	-42.93
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017614567	0	35	-1.0	-48.69	329.17	6.73	-41.96
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017614568	0	38	-1.0	-55.62	337.49	7.80	-47.82
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300017614569	0	35	-1.0	-55.36	322.46	6.73	-48.63
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017614570	0	38	-1.0	-55.95	321.09	7.92	-48.03
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017614571	0	38	-1.0	-51.22	326.64	7.27	-43.95
CN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017614572	0	43	-1.0	-55.14	379.15	3.97	-51.17
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CN1C	REAL300017614573	0	42	-1.0	-60.93	357.25	6.05	-54.88
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C2O1	REAL300017614574	0	46	-1.0	-55.08	386.20	6.99	-48.09
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300017614575	0	38	-1.0	-56.90	338.93	2.59	-54.31
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614576	0	41	-1.0	-58.66	363.62	4.86	-53.80
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614577	0	45	-1.0	-55.99	381.63	6.59	-49.40
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])SC2=CC=CC(F)=C12	REAL300017614578	0	38	-1.0	-52.89	334.04	6.92	-45.97
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017614579	0	43	-1.0	-58.21	375.04	1.92	-56.29
N#CC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(F)=C1	REAL300017614580	0	33	-1.0	-52.25	303.55	5.70	-46.55
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1N(C)C	REAL300017614581	0	43	-1.0	-50.30	348.46	5.70	-44.60
CN1C(Cl)=NC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614582	0	32	-1.0	-46.39	289.53	3.95	-42.44
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614583	0	37	-1.0	-54.92	322.43	6.24	-48.68
CSC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Cl	REAL300017614584	0	36	-1.0	-48.38	329.04	6.53	-41.85
CN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])N=C1Cl	REAL300017614585	0	32	-1.0	-70.55	291.68	4.70	-65.85
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614586	0	35	-1.0	-72.11	309.12	5.53	-66.58
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017614587	0	44	-1.0	-52.87	376.11	7.35	-45.52
CN(C)C1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614588	0	40	-1.0	-49.81	334.88	5.53	-44.28
CC1=NN2C=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=NC2=C1Cl	REAL300017614589	0	37	-1.0	-50.13	335.22	4.98	-45.15
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614590	0	38	-1.0	-47.76	328.59	6.12	-41.64
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614591	0	44	-1.0	-54.11	342.09	5.18	-48.93
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C12	REAL300017614592	0	39	-1.0	-53.60	335.08	2.76	-50.84
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017614593	0	37	-1.0	-44.20	326.02	6.06	-38.14
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017614594	0	38	-1.0	-50.60	339.70	7.63	-42.97
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614595	0	38	-1.0	-47.65	318.26	5.68	-41.97
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017614596	0	35	-1.0	-69.75	303.53	4.70	-65.05
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017614597	0	35	-1.0	-53.58	331.09	6.82	-46.76
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614598	0	40	-1.0	-69.48	348.63	3.55	-65.93
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017614599	0	31	-1.0	-45.64	293.79	3.65	-41.99
COC(=O)C1CCCCC1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614600	0	44	-1.0	-59.27	344.38	6.67	-52.60
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2)CC1	REAL300017614601	0	45	-1.0	-52.45	372.17	7.67	-44.78
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300017614602	0	39	-1.0	-59.37	319.78	5.06	-54.31
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614603	0	36	-1.0	-60.51	332.43	6.51	-54.00
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017614604	0	38	-1.0	-50.17	342.82	3.10	-47.07
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614605	0	36	-1.0	-49.18	326.13	5.52	-43.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017614606	0	41	-1.0	-56.89	337.81	8.50	-48.39
CCC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C(C(=O)OC)O1	REAL300017614607	0	41	-1.0	-54.46	346.23	5.11	-49.35
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017614608	0	49	-1.0	-59.69	386.98	6.94	-52.75
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1F	REAL300017614609	0	39	-1.0	-48.65	316.97	4.57	-44.08
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017614610	0	52	-1.0	-62.91	392.76	6.66	-56.25
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017614611	0	46	-1.0	-57.67	367.45	5.29	-52.38
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017614612	0	43	-1.0	-58.48	372.58	5.85	-52.63
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614613	0	40	-1.0	-46.58	340.07	6.28	-40.30
N#CC1(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CCCCC1	REAL300017614614	0	42	-1.0	-52.58	330.04	5.77	-46.81
CC1(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CCCCC1	REAL300017614615	0	44	-1.0	-50.70	324.86	6.35	-44.35
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017614616	0	41	-1.0	-53.48	332.96	6.34	-47.14
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017614617	0	35	-1.0	-48.88	313.18	3.65	-45.23
COC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1F	REAL300017614618	0	36	-1.0	-49.04	309.56	4.42	-44.62
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614619	0	43	-1.0	-61.27	349.81	5.39	-55.88
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614620	0	46	-1.0	-55.22	384.17	6.26	-48.96
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614621	0	41	-1.0	-50.95	319.35	6.29	-44.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017614622	0	46	-1.0	-56.06	383.81	8.35	-47.71
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C2O1	REAL300017614623	0	47	-1.0	-50.36	397.54	7.72	-42.64
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614624	0	44	-1.0	-59.05	358.82	6.80	-52.25
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017614625	0	32	-1.0	-43.46	303.80	5.61	-37.85
CC1=C(Cl)SC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614626	0	32	-1.0	-49.94	302.80	5.27	-44.67
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(F)=C1	REAL300017614627	0	36	-1.0	-56.22	306.21	4.28	-51.94
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1[N+](=O)[O-]	REAL300017614628	0	40	-1.0	-67.97	327.42	7.95	-60.02
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017614629	0	38	-1.0	-53.64	335.21	6.79	-46.85
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017614630	0	42	-1.0	-48.43	356.51	7.39	-41.04
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614631	0	40	-1.0	-53.17	341.09	3.25	-49.92
CN(C)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614632	0	40	-1.0	-52.85	324.93	5.41	-47.44
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017614633	0	38	-1.0	-52.26	319.70	5.51	-46.75
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017614635	0	35	-1.0	-52.34	304.80	5.62	-46.72
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017614636	0	35	-1.0	-48.32	329.63	6.59	-41.73
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017614637	0	35	-1.0	-52.49	315.48	5.98	-46.51
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614638	0	35	-1.0	-48.39	316.55	6.32	-42.07
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614639	0	43	-1.0	-62.06	352.38	4.00	-58.06
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614640	0	36	-1.0	-52.22	304.16	5.54	-46.68
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614641	0	43	-1.0	-67.21	356.88	4.46	-62.75
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017614642	0	44	-1.0	-57.15	368.27	4.76	-52.39
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017614643	0	38	-1.0	-51.74	337.34	5.87	-45.87
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017614644	0	42	-1.0	-53.80	363.39	4.26	-49.54
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017614645	0	43	-1.0	-55.41	372.75	6.86	-48.55
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(OC)=C1	REAL300017614646	0	42	-1.0	-54.22	353.83	5.54	-48.68
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614647	0	35	-1.0	-49.37	309.81	5.83	-43.54
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017614648	0	40	-1.0	-59.08	329.74	6.47	-52.61
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017614649	0	40	-1.0	-57.45	337.20	6.29	-51.16
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017614650	0	38	-1.0	-62.73	314.45	1.49	-61.24
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C21	REAL300017614651	0	42	-1.0	-51.48	352.83	5.68	-45.80
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017614652	0	37	-1.0	-58.36	320.86	4.95	-53.41
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(F)=C1	REAL300017614653	0	36	-1.0	-53.37	311.47	4.56	-48.81
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1	REAL300017614654	0	42	-1.0	-50.33	333.59	5.44	-44.89
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614655	0	40	-1.0	-54.52	350.71	1.17	-53.35
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614656	0	41	-1.0	-58.65	338.23	6.54	-52.11
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017614657	0	36	-1.0	-51.95	308.80	5.10	-46.85
CSC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614658	0	36	-1.0	-50.93	314.41	6.04	-44.89
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614659	0	44	-1.0	-50.21	372.36	7.40	-42.81
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614660	0	42	-1.0	-55.68	350.57	4.73	-50.95
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017614661	0	38	-1.0	-54.47	337.52	6.57	-47.90
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614662	0	43	-1.0	-54.50	344.04	6.63	-47.87
CCN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])N=C1C	REAL300017614663	0	38	-1.0	-55.71	319.54	4.82	-50.89
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017614664	0	31	-1.0	-44.07	293.36	3.61	-40.46
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017614665	0	38	-1.0	-54.73	313.84	4.66	-50.07
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300017614666	0	37	-1.0	-51.91	305.07	4.89	-47.02
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017614667	0	44	-1.0	-54.82	367.56	6.99	-47.83
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017614668	0	32	-1.0	-58.69	283.03	5.03	-53.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017614669	0	32	-1.0	-52.45	298.02	5.61	-46.84
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(F)(F)F	REAL300017614670	0	38	-1.0	-48.14	328.27	6.56	-41.58
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017614671	0	38	-1.0	-49.35	346.66	5.79	-43.56
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C12	REAL300017614672	0	40	-1.0	-50.16	340.15	4.78	-45.38
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017614673	0	35	-1.0	-55.93	324.26	6.42	-49.51
CC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C12	REAL300017614674	0	36	-1.0	-48.69	313.59	2.03	-46.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017614675	0	41	-1.0	-53.81	355.76	7.85	-45.96
COCC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614676	0	39	-1.0	-53.07	329.29	4.73	-48.34
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017614677	0	34	-1.0	-51.83	311.65	5.81	-46.02
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C(C(=O)OC)S1	REAL300017614678	0	41	-1.0	-54.02	362.83	5.44	-48.58
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614679	0	38	-1.0	-51.73	318.20	5.66	-46.07
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017614680	0	35	-1.0	-51.56	310.72	6.20	-45.36
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017614681	0	44	-1.0	-68.64	370.81	3.52	-65.12
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017614682	0	39	-1.0	-51.41	343.32	5.55	-45.86
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017614683	0	32	-1.0	-47.65	302.58	5.67	-41.98
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CN=C21	REAL300017614684	0	40	-1.0	-48.31	343.19	2.53	-45.78
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1F	REAL300017614717	0	41	-1.0	-53.18	355.04	6.66	-46.52
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017614718	0	40	-1.0	-58.59	339.15	5.72	-52.87
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017614719	0	32	-1.0	-48.46	287.69	5.11	-43.35
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614720	0	51	-1.0	-63.93	405.92	7.68	-56.25
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017614721	0	35	-1.0	-53.04	324.37	6.64	-46.40
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(Cl)=C1	REAL300017614722	0	33	-1.0	-45.76	302.35	5.45	-40.31
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Cl	REAL300017614723	0	39	-1.0	-58.54	344.65	4.49	-54.05
CC1CC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C2O1	REAL300017614724	0	40	-1.0	-51.46	329.76	5.37	-46.09
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Cl	REAL300017614725	0	36	-1.0	-48.69	326.75	4.90	-43.79
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614726	0	44	-1.0	-48.21	311.05	7.17	-41.04
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614727	0	44	-1.0	-55.44	354.35	3.32	-52.12
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CS1	REAL300017614728	0	35	-1.0	-58.39	320.59	4.46	-53.93
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614729	0	41	-1.0	-51.06	350.92	6.64	-44.42
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017614730	0	43	-1.0	-51.32	379.84	8.38	-42.94
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017614731	0	38	-1.0	-51.68	343.34	5.53	-46.15
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017614732	0	38	-1.0	-49.11	356.98	6.24	-42.87
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1C	REAL300017614733	0	41	-1.0	-49.07	331.95	5.74	-43.33
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017614734	0	34	-1.0	-45.71	323.35	6.34	-39.37
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614735	0	36	-1.0	-46.10	327.86	5.47	-40.63
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614736	0	44	-1.0	-50.62	351.72	5.57	-45.05
CCOC(=O)N1CCC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CC1	REAL300017614737	0	46	-1.0	-58.35	366.32	5.05	-53.30
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2)=CO1	REAL300017614738	0	41	-1.0	-58.01	349.58	3.83	-54.18
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017614739	0	31	-1.0	-46.64	299.84	3.81	-42.83
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017614740	0	35	-1.0	-56.84	303.99	5.40	-51.44
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017614741	0	35	-1.0	-50.35	300.26	3.68	-46.67
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017614742	0	40	-1.0	-52.22	326.31	5.39	-46.83
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614743	0	36	-1.0	-51.23	310.75	4.35	-46.88
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=CC=CC=C2S1	REAL300017614744	0	41	-1.0	-60.16	345.04	7.76	-52.40
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614745	0	41	-1.0	-57.48	351.17	6.46	-51.02
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017614746	0	39	-1.0	-51.69	319.34	6.92	-44.77
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=N2)C=C1	REAL300017614747	0	42	-1.0	-50.45	356.09	6.59	-43.86
O=C([O-])C[C@H]1CCCN1S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017614748	0	50	-1.0	-53.47	413.67	7.18	-46.29
O=C([O-])C[C@H]1CCCN1S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017614749	0	50	-1.0	-62.64	411.11	7.08	-55.56
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017614750	0	47	-1.0	-55.74	397.38	6.31	-49.43
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300017614751	0	34	-1.0	-47.34	311.96	5.37	-41.97
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C21	REAL300017614752	0	43	-1.0	-61.03	352.67	6.08	-54.95
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017614753	0	32	-1.0	-46.14	298.62	5.60	-40.54
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017614754	0	32	-1.0	-46.25	309.96	6.12	-40.13
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614755	0	42	-1.0	-56.21	332.82	6.56	-49.65
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1C#N	REAL300017614756	0	36	-1.0	-49.46	313.79	5.94	-43.52
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300017614757	0	38	-1.0	-55.44	333.44	5.70	-49.74
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614758	0	36	-1.0	-52.35	315.85	5.37	-46.98
COC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614759	0	39	-1.0	-54.72	311.70	4.52	-50.20
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Br	REAL300017614760	0	33	-1.0	-46.89	314.33	5.95	-40.94
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Cl	REAL300017614761	0	39	-1.0	-53.32	327.80	5.05	-48.27
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300017614762	0	38	-1.0	-48.32	352.32	5.70	-42.62
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300017614763	0	39	-1.0	-53.73	334.98	4.03	-49.70
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1OC	REAL300017614764	0	40	-1.0	-49.62	340.29	4.27	-45.35
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017614765	0	36	-1.0	-52.84	319.60	4.66	-48.18
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017614766	0	35	-1.0	-45.96	318.16	6.10	-39.86
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300017614767	0	43	-1.0	-55.78	365.33	2.12	-53.66
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C2S1	REAL300017614768	0	44	-1.0	-49.57	387.23	7.79	-41.78
N#CCC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614769	0	36	-1.0	-59.19	316.46	6.17	-53.02
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(Br)=C1	REAL300017614770	0	36	-1.0	-47.32	313.26	4.45	-42.87
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300017614771	0	37	-1.0	-60.23	330.99	0.63	-59.60
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])OCO2	REAL300017614772	0	38	-1.0	-53.60	308.28	3.88	-49.72
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614773	0	38	-1.0	-49.38	319.14	6.18	-43.20
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017614774	0	32	-1.0	-45.02	298.36	5.58	-39.44
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614775	0	38	-1.0	-47.54	303.97	6.54	-41.00
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017614776	0	32	-1.0	-47.60	300.10	5.65	-41.95
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])OCC(=O)N2	REAL300017614777	0	42	-1.0	-54.37	349.82	2.09	-52.28
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300017614778	0	30	-1.0	-46.61	286.03	4.34	-42.27
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017614779	0	33	-1.0	-59.44	296.98	3.40	-56.04
COC1=CN=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614780	0	35	-1.0	-51.18	298.41	2.52	-48.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017614781	0	32	-1.0	-56.77	297.34	5.58	-51.19
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1OC	REAL300017614782	0	42	-1.0	-51.53	355.92	5.76	-45.77
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614783	0	36	-1.0	-59.34	325.09	2.34	-57.00
CCOC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614784	0	39	-1.0	-49.94	323.97	4.97	-44.97
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=C2O1	REAL300017614785	0	43	-1.0	-59.61	349.83	6.29	-53.32
N#CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1C(F)(F)F	REAL300017614786	0	36	-1.0	-46.88	330.51	6.24	-40.64
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614824	0	33	-1.0	-46.82	301.57	5.22	-41.60
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614825	0	36	-1.0	-54.33	304.41	5.55	-48.78
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)N(C)C	REAL300017614826	0	46	-1.0	-53.52	372.33	5.26	-48.26
CC1CC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC(Cl)=C2O1	REAL300017614827	0	40	-1.0	-53.14	347.56	6.16	-46.98
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017614828	0	37	-1.0	-48.95	320.85	6.30	-42.65
CC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614829	0	35	-1.0	-48.41	304.79	5.79	-42.62
COC(=O)C1=COC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614830	0	35	-1.0	-60.47	311.20	4.62	-55.85
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300017614831	0	43	-1.0	-58.48	361.56	5.81	-52.67
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017614832	0	34	-1.0	-52.88	305.23	4.22	-48.66
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614833	0	42	-1.0	-62.07	340.92	5.22	-56.85
COC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])SC=C1	REAL300017614834	0	33	-1.0	-55.70	296.61	3.18	-52.52
CC(=O)NC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1C	REAL300017614835	0	42	-1.0	-58.73	347.83	4.76	-53.97
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCCC(F)(F)F	REAL300017614836	0	34	-1.0	-51.78	300.01	4.50	-47.28
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017614837	0	37	-1.0	-60.31	320.67	5.09	-55.22
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017614838	0	38	-1.0	-50.51	315.67	2.42	-48.09
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C21	REAL300017614839	0	44	-1.0	-51.78	348.41	5.61	-46.17
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017614840	0	34	-1.0	-51.08	308.94	4.24	-46.84
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614841	0	35	-1.0	-48.57	302.69	5.72	-42.85
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614842	0	40	-1.0	-58.43	327.87	5.51	-52.92
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CN=C1Cl	REAL300017614843	0	34	-1.0	-51.01	303.95	3.97	-47.04
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017614844	0	38	-1.0	-53.31	323.92	3.82	-49.49
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017614845	0	31	-1.0	-55.64	294.41	4.55	-51.09
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300017614846	0	41	-1.0	-49.13	347.09	6.47	-42.66
CC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1C#N	REAL300017614847	0	36	-1.0	-64.60	303.57	5.63	-58.97
COC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC(OC)=C1	REAL300017614848	0	40	-1.0	-54.29	333.11	3.62	-50.67
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614849	0	33	-1.0	-50.41	302.52	5.47	-44.94
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C21	REAL300017614850	0	38	-1.0	-55.64	322.11	6.39	-49.25
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300017614851	0	40	-1.0	-63.35	323.38	6.67	-56.68
CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1CC	REAL300017614852	0	44	-1.0	-52.35	350.84	7.61	-44.74
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614853	0	40	-1.0	-46.93	325.82	7.12	-39.81
CC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1Cl	REAL300017614854	0	35	-1.0	-48.79	300.31	5.62	-43.17
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C(C)O1	REAL300017614855	0	38	-1.0	-48.06	327.68	4.44	-43.62
CC1=C(C)SC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614856	0	35	-1.0	-53.08	307.88	5.42	-47.66
CC1=CC=CC(F)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614857	0	35	-1.0	-51.92	289.23	5.80	-46.12
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614858	0	33	-1.0	-48.48	292.14	2.60	-45.88
CCC1=NC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300017614859	0	34	-1.0	-50.33	304.01	3.36	-46.97
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017614860	0	38	-1.0	-52.62	315.52	6.36	-46.26
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614861	0	34	-1.0	-48.33	301.05	3.12	-45.21
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])SC=N1	REAL300017614862	0	34	-1.0	-53.12	291.62	3.80	-49.32
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC(C)=C1F	REAL300017614863	0	38	-1.0	-48.54	319.74	6.09	-42.45
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017614864	0	40	-1.0	-54.56	332.16	3.23	-51.33
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017614865	0	43	-1.0	-50.63	336.34	2.79	-47.84
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CN1C	REAL300017614866	0	39	-1.0	-61.69	335.37	4.92	-56.77
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017614867	0	31	-1.0	-48.52	285.85	3.71	-44.81
CC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1F	REAL300017614868	0	35	-1.0	-50.25	299.76	5.48	-44.77
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614869	0	43	-1.0	-50.73	356.85	6.86	-43.87
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017614870	0	35	-1.0	-53.06	319.79	6.31	-46.75
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017614871	0	35	-1.0	-52.62	321.39	6.13	-46.49
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017614872	0	32	-1.0	-55.53	288.93	5.80	-49.73
CC1=CC(F)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614873	0	35	-1.0	-48.42	301.66	5.78	-42.64
COC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CN=C1Cl	REAL300017614874	0	35	-1.0	-50.36	313.60	2.68	-47.68
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614875	0	36	-1.0	-56.17	323.90	6.18	-49.99
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300017614876	0	37	-1.0	-51.83	324.95	3.84	-47.99
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017614877	0	31	-1.0	-50.62	290.09	4.35	-46.27
COCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614878	0	39	-1.0	-52.82	329.29	4.74	-48.08
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614879	0	37	-1.0	-52.81	319.88	5.27	-47.54
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614880	0	38	-1.0	-54.28	345.35	6.22	-48.06
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017614881	0	35	-1.0	-50.60	312.91	2.55	-48.05
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=N1	REAL300017614882	0	38	-1.0	-51.06	323.25	2.63	-48.43
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614883	0	41	-1.0	-64.74	359.25	3.21	-61.53
CC(=O)NC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1F	REAL300017614884	0	39	-1.0	-55.00	335.11	4.02	-50.98
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C21	REAL300017614885	0	46	-1.0	-61.46	365.46	6.59	-54.87
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017614886	0	35	-1.0	-56.38	299.10	3.65	-52.73
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614887	0	38	-1.0	-48.14	321.44	6.25	-41.89
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614888	0	42	-1.0	-59.99	359.83	2.38	-57.61
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2CC1	REAL300017614889	0	49	-1.0	-55.28	385.53	6.68	-48.60
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(F)(F)F	REAL300017614890	0	41	-1.0	-49.14	359.04	6.47	-42.67
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614891	0	41	-1.0	-49.01	341.56	6.97	-42.04
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300017614892	0	35	-1.0	-53.02	305.18	6.21	-46.81
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017614893	0	35	-1.0	-53.66	312.05	6.81	-46.85
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614894	0	46	-1.0	-67.25	384.14	2.97	-64.28
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614895	0	45	-1.0	-55.68	375.64	6.44	-49.24
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1C	REAL300017614896	0	44	-1.0	-49.91	366.28	7.11	-42.80
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614897	0	44	-1.0	-57.62	373.03	7.36	-50.26
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1OC	REAL300017614898	0	43	-1.0	-51.22	367.87	4.55	-46.67
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C(F)C=C1C	REAL300017614899	0	44	-1.0	-52.62	369.36	7.11	-45.51
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017614900	0	38	-1.0	-52.29	337.02	6.86	-45.43
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614901	0	41	-1.0	-55.17	353.32	6.56	-48.61
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017614902	0	42	-1.0	-52.62	348.42	8.43	-44.19
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614903	0	46	-1.0	-54.41	393.37	2.80	-51.61
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300017614904	0	35	-1.0	-51.33	313.94	6.33	-45.00
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CN1C	REAL300017614905	0	44	-1.0	-58.75	376.24	6.23	-52.52
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017614906	0	36	-1.0	-54.51	321.58	5.91	-48.60
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017614907	0	35	-1.0	-51.11	308.39	5.94	-45.17
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614908	0	34	-1.0	-46.93	294.47	3.81	-43.12
CC1=NC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C(Br)N1C	REAL300017614909	0	35	-1.0	-54.26	319.08	4.30	-49.96
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017614910	0	33	-1.0	-46.89	297.48	3.87	-43.02
COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614911	0	40	-1.0	-50.70	323.95	4.78	-45.92
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614912	0	45	-1.0	-56.64	367.63	5.86	-50.78
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(F)=C1	REAL300017614913	0	38	-1.0	-56.31	331.45	5.65	-50.66
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614914	0	43	-1.0	-56.20	368.07	4.45	-51.75
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)OC(C)C	REAL300017614915	0	47	-1.0	-50.02	386.52	7.83	-42.19
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614916	0	44	-1.0	-56.80	377.88	4.23	-52.57
COC(=O)C1(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CCCC1	REAL300017614917	0	44	-1.0	-51.11	346.20	6.03	-45.08
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614918	0	39	-1.0	-51.93	345.63	5.27	-46.66
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1C(F)(F)F	REAL300017614919	0	38	-1.0	-48.45	328.27	6.56	-41.89
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017614920	0	43	-1.0	-51.24	379.84	8.37	-42.87
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614921	0	41	-1.0	-57.91	351.17	6.45	-51.46
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300017614922	0	42	-1.0	-52.03	321.93	6.47	-45.56
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017614923	0	38	-1.0	-49.60	336.46	6.80	-42.80
COC(=O)C1(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CCC1	REAL300017614924	0	41	-1.0	-57.73	336.25	5.43	-52.30
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017614925	0	32	-1.0	-52.41	296.75	5.86	-46.55
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614926	0	45	-1.0	-52.65	383.68	5.42	-47.23
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614927	0	48	-1.0	-51.80	405.56	6.35	-45.45
COC(=O)C1(CS(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])CCCCC1	REAL300017614928	0	47	-1.0	-52.58	355.58	6.97	-45.61
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614929	0	40	-1.0	-58.92	344.70	5.98	-52.94
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=N1	REAL300017614930	0	34	-1.0	-55.95	303.15	3.88	-52.07
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300017614931	0	36	-1.0	-58.83	303.67	4.87	-53.96
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])=C2	REAL300017614932	0	45	-1.0	-53.25	372.38	8.60	-44.65
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017614933	0	35	-1.0	-55.53	328.85	6.77	-48.76
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017614934	0	35	-1.0	-56.63	319.73	6.37	-50.26
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1F	REAL300017614935	0	36	-1.0	-53.43	318.80	5.09	-48.34
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614936	0	42	-1.0	-53.67	348.44	7.36	-46.31
CC(C)(CCS(=O)(=O)N1CCC[C@@H]1CC(=O)[O-])C1CC1	REAL300017614937	0	44	-1.0	-52.47	338.14	6.47	-46.00
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017614938	0	36	-1.0	-51.82	320.38	6.63	-45.19
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCCC1=CC=CC=C1	REAL300017614939	0	41	-1.0	-51.88	341.78	7.13	-44.75
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C(C(N)=O)O1	REAL300017614941	0	36	-1.0	-50.16	309.38	0.50	-49.66
CCCC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614945	0	41	-1.0	-51.59	327.77	7.29	-44.30
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017614946	0	41	-1.0	-53.32	335.70	5.75	-47.57
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC=C1C(F)F	REAL300017614947	0	32	-1.0	-46.69	284.88	4.53	-42.16
O=C([O-])C[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017614948	0	38	-1.0	-53.22	326.70	6.42	-46.80
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614949	0	48	-1.0	-49.88	387.94	7.79	-42.09
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017614950	0	37	-1.0	-51.29	305.14	4.94	-46.35
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=CC=C21	REAL300017614951	0	52	-1.0	-58.44	400.57	7.45	-50.99
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614952	0	39	-1.0	-60.49	332.94	5.12	-55.37
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C21	REAL300017614953	0	46	-1.0	-52.05	369.39	5.13	-46.92
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017614954	0	47	-1.0	-60.69	384.52	7.71	-52.98
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C21	REAL300017614955	0	46	-1.0	-73.20	374.66	6.99	-66.21
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017614956	0	39	-1.0	-53.92	323.69	4.73	-49.19
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300017614957	0	39	-1.0	-49.19	318.09	4.44	-44.75
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017614958	0	42	-1.0	-49.82	337.45	5.57	-44.25
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017614966	0	38	-1.0	-51.68	340.76	5.69	-45.99
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017614967	0	38	-1.0	-54.48	324.54	2.29	-52.19
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Br)C=CO1	REAL300017614968	0	29	-1.0	-50.24	278.26	3.57	-46.67
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300017614969	0	39	-1.0	-54.79	315.82	4.85	-49.94
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300017614970	0	36	-1.0	-48.21	318.47	4.32	-43.89
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300017614971	0	36	-1.0	-51.92	312.41	4.35	-47.57
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(C)C	REAL300017614972	0	57	-1.0	-49.93	448.29	9.66	-40.27
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C	REAL300017614973	0	48	-1.0	-52.10	369.12	6.35	-45.75
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614974	0	42	-1.0	-54.07	345.87	6.50	-47.57
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(C)C	REAL300017614975	0	55	-1.0	-54.51	439.26	7.52	-46.99
CC1=CSC(C)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614976	0	35	-1.0	-47.52	292.78	5.57	-41.95
CC1CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])=C2O1	REAL300017614977	0	40	-1.0	-58.56	329.31	5.65	-52.91
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300017614978	0	40	-1.0	-50.53	342.68	4.44	-46.09
N#CC1(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C2)CC1	REAL300017614979	0	40	-1.0	-52.45	342.06	7.25	-45.20
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614980	0	36	-1.0	-52.88	308.61	5.36	-47.52
CC1=C(Br)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C(C)S1	REAL300017614981	0	35	-1.0	-52.57	316.15	6.35	-46.22
CC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(Br)=C1	REAL300017614982	0	35	-1.0	-52.48	319.03	7.01	-45.47
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C21	REAL300017614983	0	49	-1.0	-68.91	381.73	6.98	-61.93
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017614984	0	38	-1.0	-53.61	324.64	5.52	-48.09
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCC[C@@H]3CC(=O)[O-])C=C21	REAL300017614985	0	46	-1.0	-61.00	373.66	6.63	-54.37
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC=C1Cl	REAL300017614986	0	29	-1.0	-46.16	275.41	4.02	-42.14
CN1N=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614987	0	32	-1.0	-48.46	293.62	3.06	-45.40
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017614988	0	34	-1.0	-47.52	307.72	4.21	-43.31
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614989	0	37	-1.0	-62.74	313.64	4.52	-58.22
O=C([O-])C[C@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017614990	0	41	-1.0	-51.09	319.50	4.97	-46.12
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300017614991	0	36	-1.0	-56.56	324.95	5.48	-51.08
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017614992	0	33	-1.0	-50.03	288.72	3.83	-46.20
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017614993	0	35	-1.0	-50.31	312.30	6.23	-44.08
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017614994	0	36	-1.0	-53.85	324.98	5.47	-48.38
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017614995	0	35	-1.0	-63.44	316.51	4.66	-58.78
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614996	0	39	-1.0	-50.23	323.71	4.65	-45.58
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1F	REAL300017614997	0	41	-1.0	-47.86	322.76	7.16	-40.70
COC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1OC	REAL300017614998	0	40	-1.0	-52.02	327.39	4.87	-47.15
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017614999	0	41	-1.0	-55.94	342.54	2.24	-53.70
N#CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1Br	REAL300017615000	0	33	-1.0	-46.67	314.36	5.95	-40.72
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C)C(F)=C1	REAL300017615547	0	37	-1.0	-57.09	308.16	5.51	-51.58
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1	REAL300017615548	0	36	-1.0	-49.11	319.39	5.70	-43.41
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1	REAL300017615549	0	37	-1.0	-50.49	323.69	4.72	-45.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017615550	0	43	-1.0	-56.06	342.08	5.40	-50.66
CC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017615551	0	49	-1.0	-38.55	333.70	5.58	-32.97
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300017615552	0	39	-1.0	-64.83	309.29	5.73	-59.10
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017615553	0	39	-1.0	-62.05	321.88	6.02	-56.03
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017615554	0	42	-1.0	-55.41	335.26	2.40	-53.01
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300017615555	0	45	-1.0	-42.46	380.73	5.24	-37.22
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017615556	0	32	-1.0	-51.40	294.09	4.76	-46.64
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300017615557	0	34	-1.0	-51.81	293.18	5.09	-46.72
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017615558	0	37	-1.0	-59.85	306.14	4.95	-54.90
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300017615559	0	40	-1.0	-53.97	343.98	5.45	-48.52
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300017615560	0	37	-1.0	-58.29	323.48	4.98	-53.31
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F	REAL300017615561	0	40	-1.0	-59.22	328.65	5.12	-54.10
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1C	REAL300017615562	0	37	-1.0	-56.51	316.02	5.87	-50.64
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017615563	0	34	-1.0	-55.82	301.82	5.31	-50.51
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017615564	0	31	-1.0	-50.04	296.10	5.10	-44.94
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300017615565	0	38	-1.0	-61.59	313.99	1.42	-60.17
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1	REAL300017615566	0	56	-1.0	-53.38	438.39	8.91	-44.47
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1	REAL300017615567	0	46	-1.0	-56.42	367.58	6.33	-50.09
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](CC)CC(=O)[O-]	REAL300017615568	0	41	-1.0	-40.92	351.62	6.28	-34.64
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017615569	0	37	-1.0	-55.96	309.02	5.67	-50.29
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1F	REAL300017615570	0	37	-1.0	-59.31	308.79	5.60	-53.71
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017615571	0	37	-1.0	-58.12	315.91	5.93	-52.19
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC	REAL300017615572	0	35	-1.0	-38.93	313.99	4.60	-34.33
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O	REAL300017615573	0	46	-1.0	-46.12	363.08	3.10	-43.02
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1	REAL300017615574	0	42	-1.0	-59.74	347.71	4.50	-55.24
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1	REAL300017615575	0	38	-1.0	-56.17	332.73	6.62	-49.55
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300017615576	0	35	-1.0	-53.87	304.63	1.27	-52.60
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017615577	0	34	-1.0	-54.98	305.05	5.42	-49.56
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=C1	REAL300017615578	0	44	-1.0	-54.08	347.21	5.67	-48.41
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC(C)CC(F)(F)F	REAL300017615579	0	36	-1.0	-58.97	293.08	4.30	-54.67
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017615580	0	38	-1.0	-48.32	322.43	5.74	-42.58
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C	REAL300017615581	0	43	-1.0	-43.55	351.25	3.69	-39.86
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1OC	REAL300017615582	0	35	-1.0	-41.16	293.38	4.01	-37.15
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300017615583	0	37	-1.0	-54.29	315.98	3.56	-50.73
CCC1=NC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=CN1CC1CC1	REAL300017615584	0	44	-1.0	-60.05	351.76	7.25	-52.80
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1	REAL300017615585	0	42	-1.0	-62.93	341.63	4.49	-58.44
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017615586	0	34	-1.0	-53.08	296.97	3.51	-49.57
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017615587	0	34	-1.0	-64.87	306.68	3.73	-61.14
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1C(C)C	REAL300017615588	0	50	-1.0	-54.31	388.99	7.00	-47.31
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300017615589	0	39	-1.0	-45.52	320.14	5.97	-39.55
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300017615590	0	38	-1.0	-51.28	302.94	4.06	-47.22
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017615591	0	44	-1.0	-51.89	357.46	6.32	-45.57
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017615592	0	45	-1.0	-53.75	375.20	7.35	-46.40
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1	REAL300017615593	0	41	-1.0	-56.10	334.89	5.05	-51.05
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017615594	0	43	-1.0	-56.27	341.88	5.38	-50.89
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12	REAL300017615596	0	43	-1.0	-44.87	349.61	6.52	-38.35
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCNC(C)=O)S1	REAL300017615675	0	41	-1.0	-63.96	353.15	2.98	-60.98
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017615677	1	33	-1.0	-64.90	283.92	5.70	-59.20
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017615678	0	34	-1.0	-55.46	315.00	5.83	-49.63
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017615680	0	31	-1.0	-56.49	272.43	4.67	-51.82
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300017615681	0	37	-1.0	-54.98	336.46	4.59	-50.39
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017615682	0	51	-1.0	-53.30	392.62	7.60	-45.70
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017615683	0	41	-1.0	-58.98	355.32	3.55	-55.43
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C	REAL300017615684	0	40	-1.0	-40.90	326.32	5.06	-35.84
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017615685	0	33	-1.0	-44.22	292.09	5.63	-38.59
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F	REAL300017615686	0	39	-1.0	-56.61	312.34	3.07	-53.54
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300017615687	0	42	-1.0	-42.45	330.30	3.62	-38.83
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017615688	1	33	-1.0	-53.14	306.25	6.63	-46.51
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300017615689	0	39	-1.0	-63.40	308.52	5.79	-57.61
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017615690	0	34	-1.0	-58.12	298.26	5.09	-53.03
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300017615691	0	36	-1.0	-56.07	300.63	0.08	-55.99
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300017615692	0	34	-1.0	-37.84	288.39	4.93	-32.91
CCOC(=O)C1CCCN1S(=O)(=O)N[C@H](CC)CC(=O)[O-]	REAL300017615693	0	42	-1.0	-65.33	325.29	5.09	-60.24
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300017615694	0	39	-1.0	-56.09	322.57	1.57	-54.52
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300017615695	0	41	-1.0	-52.55	310.88	4.59	-47.96
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017615696	0	39	-1.0	-41.01	331.25	3.46	-37.55
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1	REAL300017615697	0	40	-1.0	-59.89	336.54	5.47	-54.42
CC[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C(=O)OC)CC1	REAL300017615698	0	42	-1.0	-44.23	315.81	3.50	-40.73
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017615699	0	42	-1.0	-56.89	333.55	4.09	-52.80
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1	REAL300017615700	0	40	-1.0	-64.49	336.20	5.44	-59.05
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])O1	REAL300017615701	0	37	-1.0	-54.23	319.97	3.91	-50.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1	REAL300017615702	0	44	-1.0	-57.71	364.85	5.05	-52.66
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300017615703	0	41	-1.0	-41.12	321.22	4.45	-36.67
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017615704	0	35	-1.0	-58.90	296.70	4.39	-54.51
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017615705	0	34	-1.0	-57.20	291.50	5.91	-51.29
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017615706	0	33	-1.0	-44.11	296.65	5.72	-38.39
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300017615707	0	36	-1.0	-60.18	288.28	5.96	-54.22
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017615708	0	33	-1.0	-38.10	302.68	5.10	-33.00
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CS1	REAL300017615709	0	28	-1.0	-40.65	261.25	3.22	-37.43
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017615710	0	35	-1.0	-42.77	294.69	4.01	-38.76
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300017615711	0	39	-1.0	-54.21	300.97	4.99	-49.22
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017615712	0	33	-1.0	-57.12	293.10	3.43	-53.69
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017615713	0	39	-1.0	-58.77	313.44	3.05	-55.72
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017615714	0	30	-1.0	-50.09	276.31	2.91	-47.18
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017615715	0	33	-1.0	-52.39	281.81	4.53	-47.86
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017615716	0	33	-1.0	-50.09	302.03	5.09	-45.00
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H](CC)CC(=O)[O-]	REAL300017615717	0	40	-1.0	-63.29	335.52	3.33	-59.96
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300017615718	0	36	-1.0	-52.99	308.73	4.11	-48.88
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017615719	0	33	-1.0	-49.38	289.47	5.28	-44.10
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017615720	0	33	-1.0	-51.52	292.70	4.71	-46.81
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017615721	0	38	-1.0	-54.84	328.97	4.67	-50.17
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017615722	0	33	-1.0	-42.62	297.12	5.84	-36.78
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017615723	0	45	-1.0	-54.83	369.31	7.27	-47.56
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300017615724	0	39	-1.0	-61.21	330.87	0.44	-60.77
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=C1	REAL300017615725	0	39	-1.0	-61.26	320.82	5.25	-56.01
CCOC(=O)N1CCN(S(=O)(=O)N[C@H](CC)CC(=O)[O-])CC1	REAL300017615726	0	44	-1.0	-39.87	334.11	2.70	-37.17
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21	REAL300017615727	0	40	-1.0	-56.15	329.21	4.87	-51.28
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017615728	0	41	-1.0	-57.14	343.90	5.40	-51.74
CC[C@H](CC(=O)[O-])NS(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300017615729	0	53	-1.0	-38.67	391.26	6.94	-31.73
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Br	REAL300017615730	0	37	-1.0	-40.26	329.20	5.08	-35.18
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300017615731	0	39	-1.0	-60.89	331.10	0.67	-60.22
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300017615732	0	46	-1.0	-61.32	380.01	3.11	-58.21
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300017615733	0	37	-1.0	-63.38	322.69	1.51	-61.87
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C(=O)OC)=C1	REAL300017615734	0	37	-1.0	-52.91	328.78	5.09	-47.82
CCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C2=CC=CC=C12	REAL300017615735	0	44	-1.0	-45.36	349.60	6.27	-39.09
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](CC)CC(=O)[O-]	REAL300017615736	0	41	-1.0	-43.71	330.28	5.58	-38.13
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017615737	0	36	-1.0	-68.54	306.14	4.14	-64.40
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017615738	0	38	-1.0	-53.82	318.91	4.99	-48.83
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017615739	0	33	-1.0	-49.85	302.45	5.11	-44.74
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300017615740	0	32	-1.0	-46.79	282.28	3.96	-42.83
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1	REAL300017615741	0	45	-1.0	-55.86	364.88	4.44	-51.42
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1	REAL300017615742	0	47	-1.0	-53.36	373.89	6.56	-46.80
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017615743	0	33	-1.0	-61.04	289.46	6.12	-54.92
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1	REAL300017615744	0	37	-1.0	-54.06	317.06	4.65	-49.41
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl	REAL300017615745	0	37	-1.0	-38.50	338.69	5.33	-33.17
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC	REAL300017615746	0	41	-1.0	-44.09	341.65	4.62	-39.47
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)OC)S1	REAL300017615747	0	37	-1.0	-61.02	326.70	4.65	-56.37
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CS1	REAL300017615748	0	34	-1.0	-54.63	305.35	3.71	-50.92
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C	REAL300017615749	0	43	-1.0	-41.66	344.44	5.73	-35.93
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C(=O)OC)=C1	REAL300017615750	0	37	-1.0	-53.24	325.04	5.02	-48.22
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1	REAL300017615751	0	40	-1.0	-53.31	327.94	5.18	-48.13
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F	REAL300017615752	0	37	-1.0	-59.57	308.55	4.52	-55.05
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017615753	0	41	-1.0	-41.19	312.62	6.30	-34.89
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017615754	0	37	-1.0	-59.36	306.01	5.84	-53.52
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300017615755	0	30	-1.0	-50.24	274.05	2.73	-47.51
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017615756	0	35	-1.0	-52.43	314.01	5.43	-47.00
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017615757	0	36	-1.0	-53.72	308.46	-0.61	-54.33
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300017615758	0	45	-1.0	-53.85	371.42	5.96	-47.89
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1(CC(=O)OC)CC1	REAL300017615759	0	40	-1.0	-56.63	322.60	4.64	-51.99
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC	REAL300017615760	0	36	-1.0	-45.66	314.32	3.67	-41.99
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300017615761	0	34	-1.0	-53.80	279.95	4.54	-49.26
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300017615762	0	38	-1.0	-41.56	326.46	5.13	-36.43
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300017615763	0	43	-1.0	-55.24	348.24	5.49	-49.75
CCCCCCN1C=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C(=O)NC1=O	REAL300017615764	0	49	-1.0	-63.90	388.83	4.71	-59.19
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1	REAL300017615765	0	41	-1.0	-53.24	341.31	5.86	-47.38
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1	REAL300017615766	0	38	-1.0	-41.97	326.60	2.47	-39.50
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)CC	REAL300017615767	0	38	-1.0	-60.91	321.82	-1.19	-62.10
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300017615768	0	34	-1.0	-55.09	280.60	4.57	-50.52
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl	REAL300017615769	0	36	-1.0	-36.86	315.13	5.45	-31.41
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)O1	REAL300017615770	0	28	-1.0	-53.35	262.93	2.92	-50.43
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300017615771	0	37	-1.0	-53.64	314.36	5.66	-47.98
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017615772	0	28	-1.0	-49.66	274.37	4.06	-45.60
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017615773	0	34	-1.0	-53.32	302.55	5.55	-47.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017615774	0	34	-1.0	-53.22	312.84	5.99	-47.23
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300017615775	0	37	-1.0	-52.27	320.81	6.67	-45.60
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017615776	0	34	-1.0	-41.11	311.50	5.54	-35.57
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017615777	0	37	-1.0	-57.81	302.42	6.71	-51.10
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017615778	0	37	-1.0	-43.92	316.09	6.49	-37.43
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300017615779	0	42	-1.0	-55.11	363.37	2.87	-52.24
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=CN1C	REAL300017615780	0	41	-1.0	-56.30	341.39	4.96	-51.34
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=CC=C2O1	REAL300017615781	0	45	-1.0	-56.84	371.23	6.22	-50.62
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300017615782	0	37	-1.0	-57.36	322.83	1.53	-55.83
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300017615783	0	40	-1.0	-49.22	340.90	3.07	-46.15
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300017615784	0	44	-1.0	-60.67	365.05	5.54	-55.13
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1	REAL300017615785	0	37	-1.0	-55.97	315.44	6.20	-49.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017615786	0	42	-1.0	-60.90	357.97	1.13	-59.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017615787	1	32	-1.0	-55.20	287.18	4.65	-50.55
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300017615788	0	42	-1.0	-54.32	332.62	4.64	-49.68
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C	REAL300017615789	0	36	-1.0	-35.59	312.23	5.46	-30.13
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300017615790	0	35	-1.0	-54.53	312.94	5.45	-49.08
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300017615791	0	34	-1.0	-52.68	301.07	4.31	-48.37
CC[C@H](CC(=O)[O-])NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017615792	0	43	-1.0	-55.84	359.05	6.57	-49.27
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(N(C)C)=CC=C1Br	REAL300017615793	0	39	-1.0	-42.26	325.91	4.84	-37.42
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1	REAL300017615794	0	36	-1.0	-50.00	316.83	3.81	-46.19
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC	REAL300017615795	0	37	-1.0	-42.54	318.06	5.67	-36.87
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](CC)CC(=O)[O-]	REAL300017615796	0	43	-1.0	-44.38	329.30	3.81	-40.57
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C12	REAL300017615797	0	38	-1.0	-49.99	318.66	1.62	-48.37
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300017615798	0	36	-1.0	-54.22	310.85	5.29	-48.93
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017615799	0	37	-1.0	-53.39	324.82	6.84	-46.55
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC	REAL300017615800	0	37	-1.0	-42.57	307.73	5.23	-37.34
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017615801	0	34	-1.0	-71.80	295.33	3.71	-68.09
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017615802	0	34	-1.0	-54.20	314.83	5.87	-48.33
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC	REAL300017615803	1	46	-1.0	-50.41	378.24	0.89	-49.52
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300017615804	0	39	-1.0	-49.67	342.28	2.29	-47.38
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017615805	0	30	-1.0	-36.70	283.54	2.92	-33.78
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1CCCCC1C(=O)OC	REAL300017615806	0	43	-1.0	-62.64	323.85	5.68	-56.96
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1	REAL300017615807	0	44	-1.0	-56.58	356.40	6.61	-49.97
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300017615808	0	38	-1.0	-60.79	300.19	5.37	-55.42
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300017615809	0	35	-1.0	-61.60	316.54	5.55	-56.05
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017615810	0	37	-1.0	-51.33	326.64	2.00	-49.33
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC	REAL300017615811	0	35	-1.0	-38.89	313.97	4.61	-34.28
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017615812	0	40	-1.0	-46.30	319.79	7.17	-39.13
CCC1=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C(C(=O)OC)O1	REAL300017615813	0	40	-1.0	-41.66	331.96	3.93	-37.73
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017615814	0	48	-1.0	-59.37	373.96	5.66	-53.71
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300017615815	0	38	-1.0	-44.18	307.87	3.72	-40.46
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017615816	0	51	-1.0	-45.37	373.07	5.33	-40.04
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017615817	0	45	-1.0	-55.69	346.41	4.17	-51.52
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017615818	0	42	-1.0	-60.61	354.27	4.83	-55.78
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC	REAL300017615819	0	39	-1.0	-41.97	329.54	5.82	-36.15
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCCC1	REAL300017615820	0	41	-1.0	-67.56	312.40	4.97	-62.59
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017615821	0	40	-1.0	-43.42	314.31	5.00	-38.42
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300017615822	0	46	-1.0	-41.07	381.71	5.50	-35.57
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017615823	0	34	-1.0	-54.51	295.88	2.75	-51.76
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300017615824	0	35	-1.0	-52.02	293.79	3.35	-48.67
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300017615825	0	42	-1.0	-45.27	348.86	4.16	-41.11
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300017615826	0	45	-1.0	-43.88	376.00	5.29	-38.59
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017615827	0	45	-1.0	-41.37	373.79	7.50	-33.87
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017615828	0	31	-1.0	-51.23	290.01	4.95	-46.28
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=CC=C2O1	REAL300017615829	0	46	-1.0	-53.63	382.13	6.67	-46.96
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=C1	REAL300017615830	0	43	-1.0	-40.84	348.22	5.99	-34.85
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017615831	0	31	-1.0	-40.64	293.59	4.85	-35.79
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300017615832	0	31	-1.0	-52.01	285.98	4.26	-47.75
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1F	REAL300017615833	0	35	-1.0	-57.69	283.07	3.16	-54.53
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300017615834	0	39	-1.0	-60.31	313.93	6.71	-53.60
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017615835	0	37	-1.0	-56.81	319.05	5.76	-51.05
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300017615836	0	41	-1.0	-37.20	342.91	6.38	-30.82
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1	REAL300017615837	0	39	-1.0	-57.20	324.83	2.18	-55.02
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300017615838	0	39	-1.0	-56.02	307.07	4.34	-51.68
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017615839	0	37	-1.0	-54.88	302.11	4.44	-50.44
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017615841	0	34	-1.0	-61.27	291.88	4.92	-56.35
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017615842	0	34	-1.0	-50.26	313.84	5.51	-44.75
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017615843	0	34	-1.0	-53.64	292.38	4.87	-48.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300017615844	0	34	-1.0	-52.27	300.78	5.25	-47.02
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC)CC(=O)[O-]	REAL300017615845	0	42	-1.0	-60.45	309.34	1.69	-58.76
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1SC	REAL300017615846	0	35	-1.0	-42.50	294.26	4.79	-37.71
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1	REAL300017615847	0	38	-1.0	-56.91	332.86	3.64	-53.27
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300017615848	0	42	-1.0	-46.33	338.23	4.16	-42.17
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017615849	0	43	-1.0	-47.85	346.94	3.44	-44.41
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300017615850	0	37	-1.0	-53.74	338.18	2.11	-51.63
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1	REAL300017615851	0	37	-1.0	-48.45	321.20	4.82	-43.63
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300017615852	0	41	-1.0	-50.93	348.29	3.33	-47.60
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017615853	0	42	-1.0	-63.29	356.96	5.79	-57.50
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300017615854	0	41	-1.0	-45.20	341.70	4.62	-40.58
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(F)C=C1C	REAL300017615855	0	34	-1.0	-36.33	300.21	5.25	-31.08
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300017615856	0	39	-1.0	-37.34	315.88	5.52	-31.82
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017615857	0	39	-1.0	-65.01	321.28	5.32	-59.69
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCS(=O)(=O)CC)C=C1	REAL300017615858	0	47	-1.0	-64.58	394.50	2.65	-61.93
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017615859	0	37	-1.0	-41.24	297.89	0.05	-41.19
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300017615860	0	41	-1.0	-57.00	338.00	4.89	-52.11
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017615861	0	36	-1.0	-56.36	306.60	4.21	-52.15
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300017615862	0	35	-1.0	-57.35	295.90	3.55	-53.80
CCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C(C)=C1	REAL300017615863	0	41	-1.0	-42.01	322.91	4.63	-37.38
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300017615864	0	39	-1.0	-60.15	334.46	0.16	-59.99
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC	REAL300017615865	0	40	-1.0	-44.64	326.70	5.65	-38.99
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017615866	0	35	-1.0	-43.40	296.15	4.23	-39.17
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC)C=C1	REAL300017615867	0	35	-1.0	-53.67	297.82	4.99	-48.68
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1	REAL300017615868	0	43	-1.0	-52.38	356.17	6.35	-46.03
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300017615869	0	37	-1.0	-42.99	318.96	3.58	-39.41
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1	REAL300017615870	0	41	-1.0	-60.04	334.28	3.67	-56.37
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017615871	0	37	-1.0	-59.23	320.59	5.78	-53.45
CC[C@H](CC(=O)[O-])NS(=O)(=O)N(CC)CC1=CC=CC=C1	REAL300017615872	0	42	-1.0	-35.51	329.35	5.73	-29.78
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017615873	0	30	-1.0	-51.51	271.85	2.72	-48.79
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017615874	0	37	-1.0	-45.31	301.18	3.68	-41.63
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017615875	0	36	-1.0	-44.43	294.30	4.07	-40.36
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017615876	0	43	-1.0	-56.93	350.04	5.97	-50.96
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017615877	0	31	-1.0	-55.27	275.10	4.50	-50.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300017615878	0	37	-1.0	-52.50	312.17	5.51	-46.99
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017615879	0	37	-1.0	-44.81	332.25	5.20	-39.61
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300017615880	0	39	-1.0	-53.59	324.31	3.63	-49.96
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017615881	0	34	-1.0	-55.52	308.00	5.46	-50.06
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1CCCN1C(=O)OCC1=CC=CC=C1	REAL300017615882	0	52	-1.0	-55.35	411.93	6.88	-48.47
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300017615883	0	35	-1.0	-53.48	297.95	0.89	-52.59
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017615884	0	40	-1.0	-57.02	339.60	6.81	-50.21
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(COC)=C1	REAL300017615885	0	38	-1.0	-56.58	313.13	3.70	-52.88
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017615886	0	33	-1.0	-35.75	302.73	5.10	-30.65
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1	REAL300017615887	0	40	-1.0	-43.08	353.33	4.95	-38.13
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC	REAL300017615888	0	37	-1.0	-41.70	307.73	5.23	-36.47
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017615889	0	34	-1.0	-57.03	294.86	5.25	-51.78
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017615890	0	43	-1.0	-69.51	354.27	2.51	-67.00
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017615891	0	38	-1.0	-56.35	327.73	4.59	-51.76
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017615892	0	31	-1.0	-37.66	292.76	4.89	-32.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC	REAL300017615893	0	39	-1.0	-42.17	336.87	3.91	-38.26
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017615894	0	39	-1.0	-51.02	327.69	1.32	-49.70
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=CC=C1F	REAL300017615930	0	40	-1.0	-53.98	338.84	5.57	-48.41
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017615931	0	39	-1.0	-48.15	319.70	4.30	-43.85
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017615932	0	31	-1.0	-37.70	277.86	4.34	-33.36
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC)CC(=O)[O-]	REAL300017615933	0	50	-1.0	-51.43	388.17	7.43	-44.00
CC[C@H](CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017615934	0	34	-1.0	-56.85	308.62	5.72	-51.13
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017615935	0	32	-1.0	-38.52	292.10	4.65	-33.87
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300017615936	0	38	-1.0	-60.00	323.56	3.40	-56.60
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300017615937	0	39	-1.0	-54.38	314.64	4.58	-49.80
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl	REAL300017615938	0	35	-1.0	-38.71	316.89	4.13	-34.58
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H](CC)CC(=O)[O-]	REAL300017615939	0	43	-1.0	-39.61	309.74	6.86	-32.75
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300017615940	0	43	-1.0	-52.36	345.29	2.49	-49.87
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300017615941	0	34	-1.0	-58.93	305.39	3.69	-55.24
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC	REAL300017615942	0	40	-1.0	-40.95	340.37	6.18	-34.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017615943	0	42	-1.0	-54.19	363.96	7.39	-46.80
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017615944	0	37	-1.0	-48.10	325.84	5.12	-42.98
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017615945	0	37	-1.0	-44.72	342.58	5.65	-39.07
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300017615946	0	40	-1.0	-45.76	322.07	5.09	-40.67
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017615947	0	33	-1.0	-51.51	307.59	5.26	-46.25
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC	REAL300017615948	0	35	-1.0	-37.45	309.31	4.48	-32.97
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300017615949	0	43	-1.0	-54.94	334.34	4.28	-50.66
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CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300017615951	0	40	-1.0	-59.11	334.14	3.04	-56.07
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017615952	0	30	-1.0	-47.81	285.32	3.06	-44.75
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017615953	0	34	-1.0	-52.75	283.77	2.65	-50.10
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017615954	0	39	-1.0	-55.32	311.76	4.61	-50.71
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300017615955	0	35	-1.0	-41.38	300.93	3.57	-37.81
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21	REAL300017615956	0	40	-1.0	-59.83	337.00	6.91	-52.92
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300017615957	0	52	-1.0	-61.68	399.08	6.67	-55.01
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1CCCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017615958	0	52	-1.0	-51.68	408.87	6.80	-44.88
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1	REAL300017615959	0	40	-1.0	-60.95	334.67	5.42	-55.53
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300017615960	0	41	-1.0	-53.48	339.91	5.65	-47.83
CC[C@H](CC(=O)[O-])NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017615961	0	49	-1.0	-56.09	391.27	5.72	-50.37
CC[C@H](CC(=O)[O-])NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017615962	0	49	-1.0	-65.45	397.38	6.25	-59.20
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017615963	0	46	-1.0	-56.66	376.84	5.18	-51.48
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300017615964	0	33	-1.0	-51.36	295.24	4.38	-46.98
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300017615965	0	42	-1.0	-73.72	337.26	5.04	-68.68
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017615966	0	31	-1.0	-40.70	289.45	4.87	-35.83
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017615967	0	31	-1.0	-51.38	293.86	5.05	-46.33
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300017615968	0	41	-1.0	-59.44	321.83	5.52	-53.92
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300017615969	0	37	-1.0	-55.60	317.06	4.66	-50.94
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300017615970	0	35	-1.0	-40.52	303.70	4.46	-36.06
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC=C1C	REAL300017615971	0	38	-1.0	-41.03	301.08	3.71	-37.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017615972	0	32	-1.0	-50.25	298.21	4.89	-45.36
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300017615973	0	38	-1.0	-39.23	318.70	4.44	-34.79
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1	REAL300017615974	0	37	-1.0	-38.47	327.87	4.28	-34.19
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1	REAL300017615975	0	38	-1.0	-57.15	319.67	2.99	-54.16
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300017615976	0	39	-1.0	-42.26	330.09	3.48	-38.78
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017615977	0	35	-1.0	-54.31	303.20	3.64	-50.67
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017615978	0	34	-1.0	-49.00	302.06	5.06	-43.94
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300017615979	0	42	-1.0	-57.91	349.12	1.05	-56.86
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=CC=C2S1	REAL300017615980	0	43	-1.0	-53.65	373.03	7.04	-46.61
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1Br	REAL300017615981	0	35	-1.0	-42.19	303.91	3.73	-38.46
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017615982	0	36	-1.0	-59.63	314.75	-0.48	-60.11
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300017615983	0	37	-1.0	-41.33	297.61	3.09	-38.24
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300017615984	0	37	-1.0	-52.87	323.34	5.07	-47.80
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300017615985	0	37	-1.0	-53.78	297.98	5.10	-48.68
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017615986	0	31	-1.0	-38.61	288.08	4.78	-33.83
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300017615987	0	37	-1.0	-49.22	283.26	5.15	-44.07
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017615988	0	31	-1.0	-37.11	291.24	4.94	-32.17
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2	REAL300017615989	0	41	-1.0	-43.08	338.00	1.23	-41.85
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017615990	0	32	-1.0	-60.37	272.06	2.37	-58.00
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017615991	0	31	-1.0	-57.46	274.50	4.48	-52.98
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300017615992	0	41	-1.0	-55.01	340.12	4.69	-50.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017615993	0	35	-1.0	-57.76	309.32	1.27	-56.49
CCOC1=CC=CC(S(=O)(=O)N[C@H](CC)CC(=O)[O-])=C1	REAL300017615994	0	38	-1.0	-55.57	309.10	4.20	-51.37
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017615995	0	42	-1.0	-42.94	331.41	4.84	-38.10
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017615996	0	35	-1.0	-53.05	314.39	5.15	-47.90
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017617057	0	35	-1.0	-49.91	322.82	3.20	-46.71
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017617058	0	35	-1.0	-46.13	346.11	3.84	-42.29
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017617059	0	35	-1.0	-46.06	327.64	3.09	-42.97
CC1=CC(Br)=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617060	0	35	-1.0	-46.39	333.35	3.61	-42.78
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617061	0	43	-1.0	-52.60	356.66	0.33	-52.27
CSC1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617062	0	36	-1.0	-49.37	314.97	2.50	-46.87
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617063	0	43	-1.0	-57.08	370.55	2.33	-54.75
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017617064	0	44	-1.0	-53.55	357.60	1.25	-52.30
COC1=C(F)C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017617065	0	38	-1.0	-49.82	354.11	3.16	-46.66
COC(=O)NC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017617066	0	42	-1.0	-49.21	381.34	1.68	-47.53
COC(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(OC)=C1	REAL300017617067	0	42	-1.0	-49.86	365.84	2.81	-47.05
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617068	0	35	-1.0	-45.14	332.41	3.90	-41.24
CC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017617069	0	40	-1.0	-48.65	349.31	4.41	-44.24
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017617070	0	40	-1.0	-55.77	354.27	3.58	-52.19
O=C([O-])CCOCCNS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017617071	0	38	-1.0	-58.17	334.57	-1.22	-59.39
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C21	REAL300017617072	0	42	-1.0	-52.40	370.88	3.24	-49.16
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017617073	0	37	-1.0	-53.04	338.91	2.51	-50.53
COC1=CC(F)=C(S(=O)(=O)NCCOCCC(=O)[O-])C(F)=C1	REAL300017617074	0	36	-1.0	-49.10	328.63	1.89	-47.21
CCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1	REAL300017617075	0	42	-1.0	-47.72	356.67	3.45	-44.27
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617076	0	40	-1.0	-52.57	367.26	-1.51	-54.08
CS(=O)(=O)CCS(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617077	0	34	-1.0	-58.04	318.12	-2.44	-60.48
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617078	0	41	-1.0	-53.99	362.35	3.91	-50.08
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017617079	0	36	-1.0	-50.30	320.92	2.42	-47.88
CSC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617080	0	36	-1.0	-48.25	330.82	3.35	-44.90
CCCOC(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617081	0	44	-1.0	-49.34	388.75	4.71	-44.63
CCC(=O)NC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617082	0	42	-1.0	-54.74	367.28	2.03	-52.71
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017617083	0	38	-1.0	-50.33	353.45	4.05	-46.28
CCN(CC1=CC=CC=C1)S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617084	0	43	-1.0	-48.69	360.55	4.10	-44.59
CCN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])N=C1C	REAL300017617085	0	38	-1.0	-55.20	336.18	2.11	-53.09
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017617086	0	31	-1.0	-46.76	304.38	0.94	-45.82
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017617087	0	38	-1.0	-50.37	325.08	1.88	-48.49
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017617088	0	37	-1.0	-49.87	326.75	2.80	-47.07
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017617089	0	44	-1.0	-50.37	384.36	4.31	-46.06
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(F)=C1F	REAL300017617090	0	32	-1.0	-48.76	295.20	2.15	-46.61
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017617091	0	32	-1.0	-46.87	310.20	2.71	-44.16
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(F)(F)F	REAL300017617092	0	38	-1.0	-47.05	345.06	3.85	-43.20
O=C([O-])CCOCCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017617093	0	38	-1.0	-48.34	363.46	3.06	-45.28
CC1=NN(C)C2=NC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C12	REAL300017617094	0	40	-1.0	-51.59	356.95	2.05	-49.54
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017617095	0	35	-1.0	-49.02	341.01	3.69	-45.33
CC1=NOC2=NC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C12	REAL300017617096	0	36	-1.0	-53.32	330.39	-0.69	-54.01
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017617097	0	41	-1.0	-49.15	372.18	5.17	-43.98
COCC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617098	0	39	-1.0	-49.42	345.70	2.05	-47.37
O=C([O-])CCOCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017617099	0	34	-1.0	-47.48	335.30	3.75	-43.73
COC(=O)C1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C(C(=O)OC)S1	REAL300017617100	0	41	-1.0	-51.17	385.85	3.54	-47.63
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617101	0	38	-1.0	-50.45	341.25	3.90	-46.55
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017617102	0	35	-1.0	-50.67	327.97	3.47	-47.20
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017617103	0	44	-1.0	-59.55	387.23	0.83	-58.72
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017617104	0	39	-1.0	-50.07	360.39	2.83	-47.24
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017617105	0	32	-1.0	-46.26	313.60	3.01	-43.25
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CN=C21	REAL300017617106	0	40	-1.0	-51.06	360.31	-0.26	-51.32
CCOC(=O)C1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1F	REAL300017617136	0	41	-1.0	-49.72	371.84	3.93	-45.79
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017617137	0	40	-1.0	-53.87	352.49	2.97	-50.90
O=C([O-])CCOCCNS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017617138	0	32	-1.0	-46.69	298.70	2.45	-44.24
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617139	0	51	-1.0	-54.30	395.01	5.43	-48.87
O=C([O-])CCOCCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017617140	0	35	-1.0	-49.36	341.30	3.93	-45.43
N#CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(Cl)=C1	REAL300017617141	0	33	-1.0	-47.34	313.05	2.78	-44.56
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1Cl	REAL300017617142	0	39	-1.0	-50.99	359.03	1.60	-49.39
CC1CC2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C2O1	REAL300017617143	0	40	-1.0	-48.55	347.69	2.93	-45.62
COC1=CC(Cl)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1Cl	REAL300017617144	0	36	-1.0	-46.84	337.78	2.24	-44.60
CCC1=CC=CC(CC)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617145	0	44	-1.0	-45.97	347.64	5.49	-40.48
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617146	0	44	-1.0	-52.72	378.56	1.33	-51.39
COC(=O)C1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CS1	REAL300017617147	0	35	-1.0	-52.51	337.92	1.99	-50.52
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617148	0	41	-1.0	-50.19	373.36	4.83	-45.36
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017617149	0	43	-1.0	-49.02	396.03	5.68	-43.34
O=C([O-])CCOCCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017617150	0	38	-1.0	-52.32	357.06	3.00	-49.32
O=C([O-])CCOCCNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017617151	0	38	-1.0	-48.07	373.79	3.52	-44.55
COC(=O)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1C	REAL300017617152	0	41	-1.0	-51.55	355.08	3.65	-47.90
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017617153	0	34	-1.0	-48.12	340.14	3.62	-44.50
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617154	0	44	-1.0	-50.68	369.81	2.93	-47.75
CCOC(=O)N1CCC(S(=O)(=O)NCCOCCC(=O)[O-])CC1	REAL300017617155	0	46	-1.0	-56.62	384.85	2.22	-54.40
CC1=NC(C2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C2)=CO1	REAL300017617156	0	41	-1.0	-53.33	367.03	1.40	-51.93
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017617157	0	31	-1.0	-46.42	317.70	1.41	-45.01
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017617158	0	35	-1.0	-49.73	320.40	2.71	-47.02
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017617159	0	35	-1.0	-50.12	316.69	0.99	-49.13
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C2CCCN12	REAL300017617160	0	36	-1.0	-53.39	312.61	1.52	-51.87
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017617161	0	40	-1.0	-48.43	344.34	2.96	-45.47
COC1=CC=C(Cl)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617162	0	36	-1.0	-48.61	321.77	1.68	-46.93
COC(=O)C1=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=CC=CC=C2S1	REAL300017617163	0	41	-1.0	-49.32	376.74	5.04	-44.28
COC(=O)CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617164	0	41	-1.0	-52.67	367.59	3.78	-48.89
O=C([O-])CCOCCNS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017617165	0	39	-1.0	-48.89	329.69	3.88	-45.01
CC1=CC=C(N2C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N2)C=C1	REAL300017617166	0	42	-1.0	-51.78	372.60	4.11	-47.67
O=C([O-])CCOCCNS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017617167	0	47	-1.0	-52.58	414.21	3.60	-48.98
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCOCCC(=O)[O-])S1	REAL300017617168	0	34	-1.0	-50.03	329.93	2.71	-47.32
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C21	REAL300017617169	0	43	-1.0	-57.83	371.14	3.45	-54.38
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017617170	0	32	-1.0	-49.37	321.92	3.52	-45.85
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017617171	0	32	-1.0	-47.22	326.77	3.41	-43.81
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617172	0	42	-1.0	-50.35	349.61	3.89	-46.46
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1C#N	REAL300017617173	0	36	-1.0	-48.41	330.62	3.22	-45.19
COC(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1F	REAL300017617174	0	38	-1.0	-52.46	349.96	3.01	-49.45
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617175	0	36	-1.0	-49.21	327.89	2.67	-46.54
COC1=CC=C(C)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617176	0	39	-1.0	-48.32	334.82	2.53	-45.79
N#CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1Br	REAL300017617177	0	33	-1.0	-49.41	331.14	3.23	-46.18
COC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1Cl	REAL300017617178	0	39	-1.0	-46.94	351.72	2.96	-43.98
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])S1	REAL300017617179	0	38	-1.0	-47.36	364.58	2.97	-44.39
CC(=O)NC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1F	REAL300017617180	0	39	-1.0	-51.37	351.82	1.35	-50.02
COC1=CC(Cl)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1OC	REAL300017617181	0	40	-1.0	-48.19	350.97	1.59	-46.60
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017617182	0	36	-1.0	-50.04	336.11	1.97	-48.07
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017617183	0	35	-1.0	-46.65	334.97	3.39	-43.26
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C	REAL300017617184	0	43	-1.0	-53.06	382.51	-0.71	-53.77
N#CCC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617185	0	36	-1.0	-53.40	332.89	3.49	-49.91
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(Br)=C1	REAL300017617186	0	36	-1.0	-49.07	336.55	2.38	-46.69
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300017617187	0	37	-1.0	-56.62	347.41	-2.06	-58.68
CC1=CC2=C(C=C1S(=O)(=O)NCCOCCC(=O)[O-])OCO2	REAL300017617188	0	38	-1.0	-47.87	331.41	1.90	-45.97
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617189	0	38	-1.0	-49.70	332.76	3.44	-46.26
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017617190	0	32	-1.0	-45.38	309.03	2.90	-42.48
CC1=CC(F)=CC(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617191	0	38	-1.0	-45.57	323.13	3.90	-41.67
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017617192	0	32	-1.0	-46.52	323.81	3.60	-42.92
COC1=CC2=C(C=C1S(=O)(=O)NCCOCCC(=O)[O-])OCC(=O)N2	REAL300017617193	0	42	-1.0	-52.11	361.82	-0.62	-52.73
N#CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])S1	REAL300017617194	0	30	-1.0	-47.44	303.14	1.88	-45.56
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017617195	0	33	-1.0	-50.62	308.98	0.71	-49.91
COC1=CN=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617196	0	35	-1.0	-48.87	315.21	-0.20	-49.07
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017617197	0	32	-1.0	-47.87	309.51	2.69	-45.18
COC(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1OC	REAL300017617198	0	42	-1.0	-51.20	372.73	3.04	-48.16
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617199	0	36	-1.0	-51.46	341.89	-0.38	-51.84
CCOC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617200	0	39	-1.0	-50.08	342.01	2.55	-47.53
CC1(C)CC2=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C2O1	REAL300017617201	0	43	-1.0	-50.18	361.88	3.59	-46.59
N#CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300017617202	0	36	-1.0	-48.74	347.31	3.51	-45.23
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617239	0	33	-1.0	-49.84	311.60	2.49	-47.35
CC1=CC=C(C#N)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617240	0	36	-1.0	-48.41	326.10	3.61	-44.80
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(=O)N(C)C	REAL300017617241	0	46	-1.0	-53.93	393.26	1.84	-52.09
CC1CC2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC(Cl)=C2O1	REAL300017617242	0	40	-1.0	-49.57	364.42	3.44	-46.13
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017617243	0	37	-1.0	-48.17	334.86	3.50	-44.67
CC1=CC=C(Br)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617244	0	35	-1.0	-48.44	328.50	3.74	-44.70
COC(=O)C1=COC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617245	0	35	-1.0	-52.20	330.52	1.06	-51.14
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300017617246	0	43	-1.0	-53.27	378.37	3.08	-50.19
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017617247	0	34	-1.0	-49.17	322.63	1.81	-47.36
CC(=O)N(C)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617248	0	42	-1.0	-55.98	368.90	2.98	-53.00
COC1=C(S(=O)(=O)NCCOCCC(=O)[O-])SC=C1	REAL300017617249	0	33	-1.0	-51.93	308.65	0.47	-51.46
CC(=O)NC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1C	REAL300017617250	0	42	-1.0	-55.98	365.24	2.13	-53.85
O=C([O-])CCOCCNS(=O)(=O)CCCC(F)(F)F	REAL300017617251	0	34	-1.0	-51.08	315.61	1.96	-49.12
O=C([O-])CCOCCNS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017617252	0	37	-1.0	-56.42	337.75	2.38	-54.04
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017617253	0	38	-1.0	-53.73	337.26	-0.12	-53.85
CN1CCCC2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C21	REAL300017617254	0	44	-1.0	-49.49	364.85	2.88	-46.61
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017617255	0	34	-1.0	-47.55	325.37	1.55	-46.00
CC1=CC=C(Cl)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617256	0	35	-1.0	-47.52	313.71	3.05	-44.47
COC1=CC=CC(OC)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617257	0	40	-1.0	-52.77	344.62	2.84	-49.93
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CN=C1Cl	REAL300017617258	0	34	-1.0	-48.46	321.29	1.55	-46.91
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017617259	0	38	-1.0	-52.12	342.02	1.38	-50.74
O=C([O-])CCOCCNS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017617260	0	31	-1.0	-51.30	311.81	2.08	-49.22
CC(C)(C)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])S1	REAL300017617261	0	41	-1.0	-46.82	363.63	3.98	-42.84
CC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1C#N	REAL300017617262	0	36	-1.0	-50.23	315.33	2.59	-47.64
COC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC(OC)=C1	REAL300017617263	0	40	-1.0	-50.03	349.62	0.93	-49.10
N#CC1=CC=C(Cl)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617264	0	33	-1.0	-48.88	313.08	2.78	-46.10
CN1C=NC2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C21	REAL300017617265	0	38	-1.0	-55.68	338.91	3.67	-52.01
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300017617266	0	40	-1.0	-55.49	339.04	3.85	-51.64
CCC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1CC	REAL300017617267	0	44	-1.0	-47.80	367.71	4.89	-42.91
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617268	0	40	-1.0	-46.70	341.56	4.34	-42.36
CC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1Cl	REAL300017617269	0	35	-1.0	-47.78	311.03	2.98	-44.80
COC(=O)C1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C(C)O1	REAL300017617270	0	38	-1.0	-48.53	349.42	1.87	-46.66
CC1=C(C)SC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617271	0	35	-1.0	-47.39	324.29	2.74	-44.65
CC1=CC=CC(F)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617272	0	35	-1.0	-50.55	304.94	3.08	-47.47
NC1=NC=C(Cl)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617273	0	33	-1.0	-46.25	312.84	0.21	-46.04
CCC1=NC=C(S(=O)(=O)NCCOCCC(=O)[O-])S1	REAL300017617274	0	34	-1.0	-47.87	320.65	0.91	-46.96
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017617275	0	38	-1.0	-51.67	322.18	3.59	-48.08
COC(=O)C1=NSC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617276	0	34	-1.0	-53.11	323.03	1.18	-51.93
COC(=O)C1=C(S(=O)(=O)NCCOCCC(=O)[O-])SC=N1	REAL300017617277	1	34	-1.0	-54.45	323.60	0.55	-53.90
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC(C)=C1F	REAL300017617278	0	38	-1.0	-46.92	337.67	3.67	-43.25
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017617279	0	40	-1.0	-58.59	350.23	0.78	-57.81
O=C([O-])CCOCCNS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017617280	0	43	-1.0	-48.00	354.46	0.41	-47.59
COC(=O)C1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CN1C	REAL300017617281	0	39	-1.0	-55.09	351.81	2.42	-52.67
O=C([O-])CCOCCNS(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017617282	0	31	-1.0	-46.70	302.38	1.02	-45.68
CC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1F	REAL300017617283	0	35	-1.0	-48.54	309.22	2.74	-45.80
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617284	0	43	-1.0	-51.30	373.09	4.16	-47.14
O=C([O-])CCOCCNS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017617285	0	35	-1.0	-49.50	336.44	3.58	-45.92
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017617286	0	35	-1.0	-50.16	336.99	3.59	-46.57
O=C([O-])CCOCCNS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017617287	0	32	-1.0	-49.85	305.34	3.06	-46.79
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COC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CN=C1Cl	REAL300017617289	0	35	-1.0	-48.78	331.47	0.29	-48.49
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COC(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300017617291	0	37	-1.0	-49.47	341.37	1.15	-48.32
O=C([O-])CCOCCNS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017617292	0	31	-1.0	-47.62	308.29	1.70	-45.92
COCC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617293	0	39	-1.0	-48.75	345.71	2.06	-46.69
COC1=CC(C#N)=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617294	0	37	-1.0	-49.25	331.89	2.55	-46.70
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617295	0	38	-1.0	-48.17	362.14	3.49	-44.68
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CCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300017617297	0	38	-1.0	-48.40	339.67	-0.05	-48.45
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617298	0	41	-1.0	-59.62	375.67	0.53	-59.09
CC(=O)NC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1F	REAL300017617299	0	39	-1.0	-52.45	352.65	1.34	-51.11
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C21	REAL300017617300	0	46	-1.0	-57.25	382.26	3.91	-53.34
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017617301	0	35	-1.0	-49.78	310.98	0.89	-48.89
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617302	0	38	-1.0	-45.88	344.06	4.21	-41.67
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617303	0	42	-1.0	-56.76	371.85	-0.32	-57.08
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C2CC1	REAL300017617304	0	49	-1.0	-53.97	403.36	4.28	-49.69
COC(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(F)(F)F	REAL300017617305	0	41	-1.0	-52.58	375.59	3.79	-48.79
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617306	0	41	-1.0	-47.00	352.52	4.31	-42.69
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COCCNC(=O)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617309	0	46	-1.0	-57.90	402.18	0.52	-57.38
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617310	0	45	-1.0	-53.98	387.68	3.72	-50.26
CCOC(=O)C1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1C	REAL300017617311	0	44	-1.0	-49.97	383.34	4.44	-45.53
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617312	0	44	-1.0	-52.55	389.45	4.69	-47.86
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1OC	REAL300017617313	0	43	-1.0	-53.36	386.11	2.11	-51.25
CCOC(=O)C1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C(F)C=C1C	REAL300017617314	0	44	-1.0	-47.83	381.52	4.21	-43.62
O=C([O-])CCOCCNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017617315	0	38	-1.0	-49.92	352.62	4.33	-45.59
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617316	0	41	-1.0	-50.96	365.50	3.66	-47.30
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017617317	0	42	-1.0	-48.95	364.84	5.74	-43.21
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617318	0	46	-1.0	-52.53	409.77	0.12	-52.41
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300017617319	0	35	-1.0	-50.33	331.18	3.60	-46.73
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CN1C	REAL300017617320	0	44	-1.0	-53.31	392.66	3.52	-49.79
O=C([O-])CCOCCNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017617321	0	36	-1.0	-49.68	338.40	3.20	-46.48
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017617322	0	35	-1.0	-48.65	322.82	3.20	-45.45
CC1=NC(Cl)=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617323	0	34	-1.0	-47.35	318.34	1.73	-45.62
CC1=NC(S(=O)(=O)NCCOCCC(=O)[O-])=C(Br)N1C	REAL300017617324	0	35	-1.0	-51.27	331.03	1.91	-49.36
O=C([O-])CCOCCNS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017617325	0	33	-1.0	-49.09	314.02	1.18	-47.91
COC(=O)C(C)(C)CS(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617326	0	40	-1.0	-48.74	339.54	2.24	-46.50
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617327	0	45	-1.0	-58.66	382.78	3.17	-55.49
COC(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(F)=C1	REAL300017617328	0	38	-1.0	-48.77	343.61	2.75	-46.02
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617329	0	43	-1.0	-52.06	381.00	1.69	-50.37
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(=O)OC(C)C	REAL300017617330	0	47	-1.0	-48.55	403.57	5.15	-43.40
CC1=CC=C(CS(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617331	0	38	-1.0	-50.07	335.80	3.71	-46.36
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617332	0	44	-1.0	-54.58	394.30	1.54	-53.04
COC(=O)C1(CS(=O)(=O)NCCOCCC(=O)[O-])CCCC1	REAL300017617333	0	44	-1.0	-53.13	365.09	3.38	-49.75
COCC1=CC(Cl)=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617334	0	39	-1.0	-47.49	362.43	2.56	-44.93
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300017617335	0	38	-1.0	-46.75	345.07	3.84	-42.91
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017617336	0	43	-1.0	-47.71	396.03	5.69	-42.02
COC(=O)CC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617337	0	41	-1.0	-52.72	367.59	3.76	-48.96
O=C([O-])CCOCCNS(=O)(=O)CC12CCC(CC1)C2	REAL300017617338	0	42	-1.0	-48.10	335.31	3.77	-44.33
O=C([O-])CCOCCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300017617339	0	38	-1.0	-48.76	352.08	4.26	-44.50
COC(=O)C1(CS(=O)(=O)NCCOCCC(=O)[O-])CCC1	REAL300017617340	0	41	-1.0	-53.05	349.60	2.70	-50.35
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017617341	0	32	-1.0	-45.78	323.21	2.52	-43.26
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617342	0	45	-1.0	-50.46	400.48	2.69	-47.77
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617343	0	48	-1.0	-50.20	422.34	3.62	-46.58
COC(=O)C1(CS(=O)(=O)NCCOCCC(=O)[O-])CCCCC1	REAL300017617344	0	47	-1.0	-52.78	376.82	3.81	-48.97
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617345	0	40	-1.0	-51.65	361.11	3.33	-48.32
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCCOCCC(=O)[O-])=N1	REAL300017617346	1	34	-1.0	-55.83	317.74	1.32	-54.51
O=C([O-])CCOCCNS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017617347	0	36	-1.0	-50.76	317.20	1.97	-48.79
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C2	REAL300017617348	0	45	-1.0	-51.17	390.46	6.16	-45.01
O=C([O-])CCOCCNS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017617349	0	35	-1.0	-49.99	336.81	3.64	-46.35
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617350	0	42	-1.0	-50.30	365.21	4.62	-45.68
CC(C)(CCS(=O)(=O)NCCOCCC(=O)[O-])C1CC1	REAL300017617351	0	44	-1.0	-48.32	354.92	3.75	-44.57
O=C([O-])CCOCCNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017617352	0	36	-1.0	-49.42	336.78	3.94	-45.48
CC(F)(F)CCCS(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617353	0	37	-1.0	-52.01	330.10	2.48	-49.53
O=C([O-])CCOCCNS(=O)(=O)CCCC1=CC=CC=C1	REAL300017617354	0	41	-1.0	-50.31	357.39	4.60	-45.71
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C(C(N)=O)O1	REAL300017617356	0	36	-1.0	-50.16	331.10	-2.09	-52.25
CCCC1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617360	0	41	-1.0	-46.81	343.47	4.87	-41.94
O=C([O-])CCOCCNS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017617361	0	41	-1.0	-51.90	352.76	3.03	-48.87
O=C([O-])CCOCCNS(=O)(=O)C1=CSC=C1C(F)F	REAL300017617362	0	32	-1.0	-48.07	304.98	2.51	-45.56
O=C([O-])CCOCCNS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017617363	0	38	-1.0	-50.61	342.30	3.89	-46.72
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617364	0	48	-1.0	-51.43	405.19	5.09	-46.34
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017617365	0	37	-1.0	-53.63	326.78	2.88	-50.75
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C21	REAL300017617366	0	52	-1.0	-56.57	417.67	4.80	-51.77
COC(=O)C1=CN(C)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617367	0	39	-1.0	-53.44	345.80	2.31	-51.13
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C21	REAL300017617368	0	46	-1.0	-50.36	386.19	2.41	-47.95
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017617369	0	47	-1.0	-57.35	401.32	4.98	-52.37
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C21	REAL300017617370	0	46	-1.0	-57.52	391.45	4.26	-53.26
O=C([O-])CCOCCNS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017617371	0	39	-1.0	-49.04	340.53	2.01	-47.03
O=C([O-])CCOCCNS(=O)(=O)C1=CC=NN1C1CCC1	REAL300017617372	0	39	-1.0	-48.79	332.97	1.92	-46.87
O=C([O-])CCOCCNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017617373	0	42	-1.0	-48.08	350.07	2.67	-45.41
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017617381	0	38	-1.0	-49.10	357.48	3.23	-45.87
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017617382	0	38	-1.0	-51.71	341.36	-0.44	-52.15
O=C([O-])CCOCCNS(=O)(=O)C1=C(Br)C=CO1	REAL300017617383	1	29	-1.0	-48.24	290.54	0.99	-47.25
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C2CCCCN12	REAL300017617384	0	39	-1.0	-50.77	331.59	2.29	-48.48
COC1=C(F)C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1F	REAL300017617385	0	36	-1.0	-47.47	336.51	1.87	-45.60
COC1=CC(F)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1F	REAL300017617386	0	36	-1.0	-47.82	324.59	1.46	-46.36
COC1=CC(C(C)C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C	REAL300017617387	0	48	-1.0	-47.27	394.09	4.45	-42.82
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617388	0	42	-1.0	-48.99	355.46	3.67	-45.32
CC1=CSC(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617389	0	35	-1.0	-46.20	313.33	3.00	-43.20
CC1CC2=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C2O1	REAL300017617390	0	40	-1.0	-50.19	337.88	2.83	-47.36
CC(C)(C)C1=NC=C(S(=O)(=O)NCCOCCC(=O)[O-])S1	REAL300017617391	0	40	-1.0	-47.75	359.30	1.99	-45.76
N#CC1(C2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C2)CC1	REAL300017617392	0	40	-1.0	-53.81	358.88	4.54	-49.27
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617393	0	36	-1.0	-49.37	329.17	2.97	-46.40
CC1=C(Br)C(S(=O)(=O)NCCOCCC(=O)[O-])=C(C)S1	REAL300017617394	0	35	-1.0	-45.42	335.31	3.71	-41.71
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C21	REAL300017617395	0	49	-1.0	-59.79	399.30	4.37	-55.42
O=C([O-])CCOCCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017617396	0	38	-1.0	-50.46	344.31	2.96	-47.50
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C21	REAL300017617397	0	46	-1.0	-60.67	390.19	3.96	-56.71
O=C([O-])CCOCCNS(=O)(=O)C1=CSC=C1Cl	REAL300017617398	0	29	-1.0	-46.43	285.37	1.33	-45.10
CN1N=C(Br)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617399	0	32	-1.0	-46.75	312.60	0.45	-46.30
O=C([O-])CCOCCNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017617400	0	34	-1.0	-47.15	324.78	1.52	-45.63
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617401	0	37	-1.0	-56.44	331.33	1.93	-54.51
O=C([O-])CCOCCNS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017617402	0	41	-1.0	-46.73	336.41	2.30	-44.43
O=C([O-])CCOCCNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300017617403	0	36	-1.0	-49.59	338.62	2.58	-47.01
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017617404	0	33	-1.0	-46.91	305.52	1.11	-45.80
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017617405	0	35	-1.0	-48.44	329.49	3.75	-44.69
O=C([O-])CCOCCNS(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017617406	0	36	-1.0	-49.32	338.54	2.56	-46.76
O=C([O-])CCOCCNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017617407	0	35	-1.0	-55.34	335.54	2.03	-53.31
CN1N=C(C2CC2)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617408	0	39	-1.0	-48.36	341.56	2.10	-46.26
CC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1F	REAL300017617409	0	41	-1.0	-46.10	338.77	4.35	-41.75
COC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1OC	REAL300017617410	0	40	-1.0	-49.03	338.28	2.12	-46.91
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CN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C2CCCC2)=N1	REAL300017617415	0	45	-1.0	-49.88	364.97	2.60	-47.28
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CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617435	0	45	-1.0	-55.27	380.44	0.73	-54.54
COC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300017617436	0	41	-1.0	-56.96	356.07	3.54	-53.42
CCCC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617437	0	41	-1.0	-47.83	355.03	4.54	-43.29
COC(=O)C1=NN(C)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617438	0	38	-1.0	-49.34	346.92	0.67	-48.67
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CN1N=C2CCCC2=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617440	0	39	-1.0	-49.35	335.33	1.88	-47.47
O=C([O-])CCOCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017617441	0	36	-1.0	-47.97	347.08	3.67	-44.30
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C2C=C1	REAL300017617442	0	44	-1.0	-50.46	391.31	5.24	-45.22
CC1=CC=CC(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617443	0	38	-1.0	-46.56	317.32	3.85	-42.71
CC(C)(C)N1N=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617444	0	41	-1.0	-47.79	339.29	1.99	-45.80
CC(C)(C)N1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300017617445	0	41	-1.0	-50.79	355.13	2.03	-48.76
O=C([O-])CCOCCNS(=O)(=O)C1=CNN=C1C1CCC1	REAL300017617446	0	39	-1.0	-49.62	340.10	1.38	-48.24
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CN=C1C(F)(F)F	REAL300017617447	0	37	-1.0	-48.83	341.56	2.14	-46.69
O=C([O-])CCOCCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017617448	0	35	-1.0	-46.32	335.78	3.40	-42.92
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CCCC(=O)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617456	0	43	-1.0	-55.90	375.22	4.36	-51.54
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O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017617459	0	38	-1.0	-47.99	353.05	3.37	-44.62
O=C([O-])CCOCCNS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017617460	0	38	-1.0	-47.67	333.08	2.77	-44.90
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O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017617462	0	41	-1.0	-58.66	364.75	2.30	-56.36
O=C([O-])CCOCCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017617463	0	32	-1.0	-49.70	309.91	2.72	-46.98
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300017617464	0	39	-1.0	-48.16	339.84	4.43	-43.73
COC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C=CS1	REAL300017617465	0	33	-1.0	-48.77	306.45	0.84	-47.93
O=C([O-])CCOCCNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017617466	0	35	-1.0	-48.09	321.95	3.97	-44.12
COC(=O)C1=C(C)SC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617467	0	38	-1.0	-48.69	356.81	2.67	-46.02
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017617468	0	39	-1.0	-47.42	338.12	4.19	-43.23
O=C([O-])CCOCCNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017617469	0	42	-1.0	-49.48	356.62	2.74	-46.74
CCC(C)N1N=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617470	0	41	-1.0	-47.51	350.59	2.22	-45.29
CNC(=O)NC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617471	0	41	-1.0	-55.73	361.84	-0.16	-55.89
CS(=O)(=O)C1=CSC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617472	0	35	-1.0	-56.20	344.57	-1.17	-57.37
CN(C1CCCCCC1)S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617473	0	46	-1.0	-46.86	361.28	3.32	-43.54
COC1=CC(F)=C(F)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617474	0	36	-1.0	-48.10	323.86	2.28	-45.82
CN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C2CCOCC2)=N1	REAL300017617475	0	46	-1.0	-50.87	389.14	1.45	-49.42
CC(F)(F)C1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617476	0	38	-1.0	-49.85	343.85	3.86	-45.99
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COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])S1	REAL300017617479	0	33	-1.0	-47.43	314.42	0.78	-46.65
CC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=NC=CC=C12	REAL300017617480	0	43	-1.0	-53.05	362.09	4.68	-48.37
O=C([O-])CCOCCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017617481	0	40	-1.0	-48.52	344.26	2.32	-46.20
O=C([O-])CCOCCNS(=O)(=O)C1=CN(CCF)N=C1	REAL300017617482	0	35	-1.0	-49.29	323.30	1.03	-48.26
CCOCC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617483	0	42	-1.0	-49.42	367.56	3.02	-46.40
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617486	0	42	-1.0	-49.63	370.32	3.51	-46.12
O=C([O-])CCOCCNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017617487	0	45	-1.0	-48.40	377.02	3.28	-45.12
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017617488	0	43	-1.0	-48.36	379.33	5.17	-43.19
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1CF	REAL300017617489	0	35	-1.0	-49.66	310.47	3.40	-46.26
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC(C)=C1Br	REAL300017617490	0	38	-1.0	-46.70	348.33	4.07	-42.63
CCN1N=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1Cl	REAL300017617491	0	35	-1.0	-47.69	323.71	0.88	-46.81
O=C([O-])CCOCCNS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017617492	0	36	-1.0	-49.46	340.80	4.02	-45.44
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCCOCCC(=O)[O-])=C2	REAL300017617493	0	38	-1.0	-48.72	375.73	3.55	-45.17
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017617495	0	34	-1.0	-48.13	324.50	1.27	-46.86
O=C([O-])CCOCCNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017617496	0	37	-1.0	-54.63	347.09	3.52	-51.11
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017617497	0	37	-1.0	-54.96	343.77	3.32	-51.64
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=CC=CC=C12	REAL300017617498	0	41	-1.0	-50.21	349.37	5.22	-44.99
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017617499	0	39	-1.0	-50.33	348.58	2.70	-47.63
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C21	REAL300017617500	0	46	-1.0	-50.04	395.22	3.84	-46.20
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017617501	0	32	-1.0	-46.49	310.94	2.63	-43.86
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCCOCCC(=O)[O-])O1	REAL300017617502	0	38	-1.0	-58.80	354.29	-1.38	-60.18
CN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300017617503	0	42	-1.0	-50.26	357.88	3.24	-47.02
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017617504	0	38	-1.0	-50.31	359.31	-0.07	-50.38
O=C([O-])CCOCCNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017617505	0	36	-1.0	-48.18	328.95	3.58	-44.60
O=C([O-])CCOCCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017617506	0	36	-1.0	-48.09	343.83	4.12	-43.97
O=C([O-])CCOCCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017617507	0	36	-1.0	-47.75	343.83	4.13	-43.62
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017617508	0	36	-1.0	-47.18	334.45	3.63	-43.55
COC(=O)C1CCCCN1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617509	0	43	-1.0	-51.24	352.65	2.97	-48.27
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C21	REAL300017617510	0	54	-1.0	-47.41	420.22	6.50	-40.91
N#CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017617511	0	35	-1.0	-55.21	336.09	3.14	-52.07
COC1=CC=C(C=C(C)S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617512	0	43	-1.0	-48.66	363.97	3.20	-45.46
COC(=O)C=CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617513	0	42	-1.0	-51.02	377.29	4.22	-46.80
CCOC(=O)C1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=NN1	REAL300017617514	0	38	-1.0	-50.04	350.83	0.13	-49.91
COC1=CSC(S(=O)(=O)NCCOCCC(=O)[O-])=C1OC	REAL300017617515	0	37	-1.0	-50.11	339.41	0.19	-49.92
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)NCCOCCC(=O)[O-])C2	REAL300017617516	0	49	-1.0	-45.56	358.43	6.88	-38.68
O=C([O-])CCOCCNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017617517	0	44	-1.0	-46.66	351.09	2.78	-43.88
CN(CCC1=CC=CC=C1)S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617518	0	43	-1.0	-48.71	370.91	4.23	-44.48
O=C([O-])CCOCCNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017617519	0	43	-1.0	-47.13	367.08	9.04	-38.09
O=C([O-])CCOCCNC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017617520	0	49	-1.0	-46.69	386.97	8.43	-38.26
CC(C)(C)OC(=O)N1CCN(C(=O)NCCOCCC(=O)[O-])CC1	REAL300017617521	0	50	-1.0	-48.07	391.59	4.99	-43.08
COC(=O)C1CCN(C(=O)NCCOCCC(=O)[O-])CC1	REAL300017617522	0	42	-1.0	-49.13	343.42	4.86	-44.27
CN(C(=O)NCCOCCC(=O)[O-])C1CCS(=O)(=O)C1	REAL300017617523	0	39	-1.0	-53.65	328.45	0.89	-52.76
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NCCOCCC(=O)[O-]	REAL300017617524	0	51	-1.0	-49.08	405.76	5.46	-43.62
COC(=O)C1CN(C(=O)NCCOCCC(=O)[O-])CCO1	REAL300017617525	0	40	-1.0	-48.30	335.61	3.28	-45.02
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017617526	0	36	-1.0	-49.87	339.33	3.12	-46.75
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017617527	0	36	-1.0	-49.31	336.13	1.97	-47.34
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617528	0	38	-1.0	-49.68	335.05	2.27	-47.41
CC(=O)OC1CCN(C(=O)NCCOCCC(=O)[O-])CC1	REAL300017617529	0	42	-1.0	-48.94	344.57	5.11	-43.83
CN1C=CC2=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C21	REAL300017617530	0	39	-1.0	-50.97	344.35	4.09	-46.88
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017617531	0	35	-1.0	-52.74	320.17	3.88	-48.86
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017617532	0	41	-1.0	-48.17	369.51	2.81	-45.36
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017617533	0	29	-1.0	-44.97	315.71	2.43	-42.54
CN1N=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1Cl	REAL300017617534	0	32	-1.0	-47.93	301.91	0.02	-47.91
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617535	0	45	-1.0	-50.38	384.42	4.74	-45.64
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017617536	0	49	-1.0	-50.00	409.06	4.23	-45.77
O=C([O-])CCOCCNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017617537	0	35	-1.0	-47.30	346.90	3.74	-43.56
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017617538	0	37	-1.0	-51.30	342.08	2.96	-48.34
COC(=O)[C@@H]1CCCN1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617539	0	40	-1.0	-51.36	344.17	1.80	-49.56
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017617540	0	43	-1.0	-49.03	381.06	5.24	-43.79
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617541	0	38	-1.0	-52.69	327.46	4.34	-48.35
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017617542	0	37	-1.0	-50.59	345.51	0.91	-49.68
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017617543	0	33	-1.0	-49.13	325.80	1.20	-47.93
CC(=O)OC1CCCN(C(=O)NCCOCCC(=O)[O-])C1	REAL300017617544	0	42	-1.0	-53.40	344.63	5.10	-48.30
COCN1N=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617545	0	36	-1.0	-50.13	324.65	-1.47	-51.60
CC1=CC(Cl)=NC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617546	0	34	-1.0	-46.01	317.74	1.85	-44.16
C=C(C)COC1=CC=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617547	0	43	-1.0	-50.56	374.31	3.95	-46.61
CCN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C2CC2)=N1	REAL300017617548	0	42	-1.0	-50.24	355.80	2.57	-47.67
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=NSN=C2C=C1	REAL300017617549	0	36	-1.0	-50.65	328.65	1.72	-48.93
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017617550	0	38	-1.0	-47.77	353.27	5.10	-42.67
CC(=O)OC1CCN(S(=O)(=O)NCCOCCC(=O)[O-])C1	REAL300017617551	0	40	-1.0	-50.50	350.44	1.52	-48.98
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017617552	0	42	-1.0	-47.61	381.56	6.26	-41.35
CCC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1Br	REAL300017617553	0	38	-1.0	-46.37	349.68	4.19	-42.18
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617554	0	45	-1.0	-47.71	377.41	3.51	-44.20
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=CS1	REAL300017617555	0	29	-1.0	-46.42	299.44	1.84	-44.58
COCCC1=CC=C(OC)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617556	0	46	-1.0	-50.26	387.73	2.66	-47.60
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017617557	0	38	-1.0	-48.42	337.99	4.64	-43.78
CN1N=C2CCOCC2=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617558	0	40	-1.0	-48.58	341.28	-0.01	-48.59
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300017617559	0	39	-1.0	-47.78	333.55	4.56	-43.22
CC1(C)CCN(S(=O)(=O)NCCOCCC(=O)[O-])CC1	REAL300017617560	0	43	-1.0	-46.23	341.14	2.30	-43.93
CC(=O)OCC1CCN(S(=O)(=O)NCCOCCC(=O)[O-])CC1	REAL300017617561	0	46	-1.0	-51.09	385.86	3.11	-47.98
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617562	0	46	-1.0	-55.09	399.84	2.61	-52.48
O=C([O-])CCOCCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017617563	0	42	-1.0	-49.09	352.86	0.10	-48.99
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=N1	REAL300017617564	0	38	-1.0	-47.42	333.63	-0.22	-47.64
COC1=NC=C(C)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617565	0	38	-1.0	-49.24	330.43	0.16	-49.08
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017617566	0	47	-1.0	-49.05	392.52	2.71	-46.34
COC1=NC=C(Cl)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617567	0	35	-1.0	-47.23	325.72	0.01	-47.22
COC1=NC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C	REAL300017617568	0	38	-1.0	-48.58	337.95	-0.25	-48.83
CC(C)CN1C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=N1	REAL300017617569	0	41	-1.0	-50.84	353.57	2.47	-48.37
CC1=NN(C(C)C)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617570	0	41	-1.0	-49.93	354.26	2.03	-47.90
O=C([O-])CCOCCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017617571	0	31	-1.0	-51.71	317.97	0.30	-51.41
N#CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])SC=C1	REAL300017617572	0	30	-1.0	-51.55	298.43	1.52	-50.03
O=C([O-])CCOCCNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017617573	0	36	-1.0	-48.05	353.50	4.45	-43.60
CC(C)N1N=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617574	0	38	-1.0	-47.58	332.35	1.58	-46.00
COC(=O)C1=NC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C	REAL300017617575	0	40	-1.0	-49.83	357.42	1.69	-48.14
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617576	0	35	-1.0	-54.20	328.89	4.21	-49.99
O=C([O-])CCOCCNS(=O)(=O)C1=CC=NN1CC1CC1	REAL300017617577	0	39	-1.0	-47.21	339.24	2.50	-44.71
O=C([O-])CCOCCNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017617578	0	39	-1.0	-48.83	345.87	3.59	-45.24
COC1=NOC(CS(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617579	0	35	-1.0	-53.33	322.33	-1.40	-54.73
O=C([O-])CCOCCNS(=O)(=O)N1CCC2=CC=CN=C21	REAL300017617580	0	37	-1.0	-50.99	325.77	2.71	-48.28
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C=NN1C(C)C	REAL300017617581	0	41	-1.0	-48.52	353.91	2.13	-46.39
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017617582	0	39	-1.0	-48.92	350.50	4.52	-44.40
O=C([O-])CCOCCNS(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017617583	0	34	-1.0	-48.93	317.98	1.35	-47.58
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617584	0	46	-1.0	-48.85	399.43	5.89	-42.96
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017617585	0	39	-1.0	-49.74	352.16	4.56	-45.18
O=C([O-])CCOCCNC(=O)N1CCC(C(F)(F)F)CC1	REAL300017617586	0	39	-1.0	-46.06	326.19	5.14	-40.92
O=C([O-])CCOCCNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300017617587	0	36	-1.0	-49.59	334.03	2.47	-47.12
O=C([O-])CCOCCNC(=O)N1CC=C(Br)CC1	REAL300017617588	0	34	-1.0	-45.53	302.12	4.77	-40.76
O=C([O-])CCOCCNS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017617589	0	35	-1.0	-49.24	321.08	2.95	-46.29
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617590	0	40	-1.0	-56.84	348.90	-1.87	-58.71
O=C([O-])CCOCCNS(=O)(=O)N1CC2CCC(C1)O2	REAL300017617591	0	39	-1.0	-46.91	321.87	0.44	-46.47
N#CC1CCN(S(=O)(=O)NCCOCCC(=O)[O-])CC1	REAL300017617592	0	38	-1.0	-51.54	328.93	1.81	-49.73
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017617594	0	39	-1.0	-50.77	346.18	4.71	-46.06
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(Cl)=C1Cl	REAL300017617595	0	35	-1.0	-47.10	326.25	3.44	-43.66
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017617596	0	36	-1.0	-45.59	334.87	1.88	-43.71
O=C([O-])CCOCCNS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017617597	0	39	-1.0	-49.28	354.60	3.21	-46.07
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C(F)F)=C1	REAL300017617598	0	39	-1.0	-49.25	342.22	2.97	-46.28
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617599	0	38	-1.0	-47.31	347.86	0.47	-46.84
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C2=NC=CC=C12	REAL300017617600	0	40	-1.0	-53.16	340.59	3.98	-49.18
O=C([O-])CCOCCNC(=O)N1CC(OCC2=CC=CC=C2)C1	REAL300017617601	0	44	-1.0	-47.67	374.48	5.54	-42.13
CC(C)(C)OC(=O)NC1CN(C(=O)NCCOCCC(=O)[O-])C1	REAL300017617602	0	47	-1.0	-48.89	385.39	2.23	-46.66
CC(=O)OCC1CCN(C(=O)NCCOCCC(=O)[O-])CC1	REAL300017617603	0	45	-1.0	-50.90	365.97	5.81	-45.09
COC(=O)C1CCCN(C(=O)NCCOCCC(=O)[O-])C1	REAL300017617604	0	42	-1.0	-47.43	343.54	4.86	-42.57
O=C([O-])CCOCCNS(=O)(=O)N1CC=C(Br)CC1	REAL300017617605	0	35	-1.0	-46.97	322.08	2.05	-44.92
O=C([O-])CCOCCNS(=O)(=O)N1CCC(F)(F)C1	REAL300017617607	0	34	-1.0	-48.42	307.63	0.82	-47.60
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617608	0	45	-1.0	-49.24	372.28	4.36	-44.88
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C(Cl)S1	REAL300017617609	0	32	-1.0	-45.09	316.33	2.78	-42.31
O=C([O-])CCOCCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300017617610	0	39	-1.0	-50.03	356.27	2.96	-47.07
O=C([O-])CCOCCNS(=O)(=O)C1=C2CCCCN2N=C1	REAL300017617611	0	39	-1.0	-48.62	334.77	1.68	-46.94
CN1C=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=N1	REAL300017617612	0	38	-1.0	-44.06	338.54	3.19	-40.87
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617614	0	41	-1.0	-43.65	355.41	6.15	-37.50
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300017617615	0	38	-1.0	-39.54	359.25	6.09	-33.45
CC(C)(C)SC[C@H](NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21)C(=O)[O-]	REAL300017617632	0	52	-1.0	-52.57	434.43	12.37	-40.20
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300017617633	0	43	-1.0	-48.55	388.25	0.43	-48.12
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC=CC=C1C#N)C(=O)[O-]	REAL300017617634	0	42	-1.0	-49.73	376.85	6.40	-43.33
CC1=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017617635	0	46	-1.0	-43.58	397.76	7.22	-36.36
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1C	REAL300017617636	0	46	-1.0	-42.48	394.44	7.60	-34.88
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300017617637	0	44	-1.0	-46.98	380.59	4.65	-42.33
CC(C)(C)SC[C@H](NS(=O)(=O)C=CC1=CC=CC=C1)C(=O)[O-]	REAL300017617638	0	42	-1.0	-47.55	368.01	6.69	-40.86
CN1C=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(=O)N(C)C1=O	REAL300017617639	0	44	-1.0	-50.69	383.07	4.51	-46.18
CC1=NN(C)C(C)=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617640	0	44	-1.0	-48.43	372.75	4.54	-43.89
CC1=NNC(C)=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617641	0	41	-1.0	-44.39	350.07	3.30	-41.09
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300017617642	0	41	-1.0	-42.44	367.85	2.99	-39.45
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC=CC=C1)C(=O)[O-]	REAL300017617643	0	41	-1.0	-43.56	355.26	6.14	-37.42
COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617644	0	42	-1.0	-43.76	363.49	4.78	-38.98
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017617645	0	40	-1.0	-49.98	353.44	6.99	-42.99
CCOC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617646	0	45	-1.0	-44.88	387.46	5.72	-39.16
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300017617647	0	38	-1.0	-43.87	335.44	5.21	-38.66
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300017617648	0	38	-1.0	-39.86	340.42	5.54	-34.32
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1)C(=O)[O-]	REAL300017617649	0	38	-1.0	-42.01	342.52	5.56	-36.45
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1C	REAL300017617650	0	50	-1.0	-44.92	397.03	8.21	-36.71
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(C)=C1	REAL300017617651	0	47	-1.0	-44.38	383.04	7.73	-36.65
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617652	0	53	-1.0	-43.50	421.33	8.59	-34.91
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017617653	0	38	-1.0	-40.76	368.04	6.48	-34.28
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300017617654	0	38	-1.0	-41.43	348.83	5.62	-35.81
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300017617655	0	38	-1.0	-40.78	365.69	6.60	-34.18
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017617656	0	41	-1.0	-40.36	372.75	6.48	-33.88
CC1=CC=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617657	0	41	-1.0	-43.71	355.41	6.14	-37.57
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017617658	0	41	-1.0	-43.87	355.41	6.90	-36.97
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)[O-]	REAL300017617659	0	38	-1.0	-47.95	329.04	5.15	-42.80
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017617660	0	38	-1.0	-40.70	350.74	6.00	-34.70
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617661	0	43	-1.0	-45.81	374.47	5.87	-39.94
CC1=CC=C(C)C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617662	0	44	-1.0	-42.90	366.53	6.93	-35.97
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1C	REAL300017617663	0	44	-1.0	-45.29	374.17	6.74	-38.55
C=CCCCS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617664	0	41	-1.0	-41.43	354.33	5.27	-36.16
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300017617665	0	39	-1.0	-40.90	362.83	5.92	-34.98
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	REAL300017617666	0	48	-1.0	-41.06	388.68	4.72	-36.34
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])S1	REAL300017617667	0	41	-1.0	-44.13	362.53	6.02	-38.11
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300017617668	0	47	-1.0	-46.16	398.84	7.08	-39.08
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300017617669	0	39	-1.0	-47.34	356.84	4.72	-42.62
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017617670	0	44	-1.0	-42.61	387.62	7.01	-35.60
CN1C=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300017617671	0	41	-1.0	-46.50	369.74	4.32	-42.18
CC1=CC=CC(C)=C1CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617672	0	47	-1.0	-44.93	388.39	7.43	-37.50
CC(C)(C)SC[C@H](NS(=O)(=O)C1=C(F)C=CS1)C(=O)[O-]	REAL300017617673	0	35	-1.0	-42.81	327.41	4.53	-38.28
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1CCOC1)C(=O)[O-]	REAL300017617674	0	45	-1.0	-41.44	370.79	3.93	-37.51
COC(CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300017617675	0	48	-1.0	-44.43	405.24	5.94	-38.49
CC(C)(C)SC[C@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300017617676	0	47	-1.0	-46.31	388.44	6.62	-39.69
CC(C)(C)SC[C@H](NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300017617677	0	48	-1.0	-44.27	410.78	6.20	-38.07
CC(C)(C)SC[C@H](NS(=O)(=O)CC1CC(F)(F)C1)C(=O)[O-]	REAL300017617678	0	41	-1.0	-38.77	356.83	5.38	-33.39
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300017617679	0	45	-1.0	-43.78	383.22	7.57	-36.21
COC1=CC=C2C=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])CCC2=C1	REAL300017617680	0	50	-1.0	-46.24	419.94	7.19	-39.05
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300017617681	0	46	-1.0	-45.34	396.63	6.46	-38.88
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017617682	0	38	-1.0	-40.68	358.71	6.07	-34.61
CC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617683	0	43	-1.0	-49.58	376.59	5.88	-43.70
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(C)=C1	REAL300017617684	0	44	-1.0	-43.91	369.98	7.04	-36.87
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017617685	0	38	-1.0	-50.56	363.28	6.45	-44.11
COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017617686	0	44	-1.0	-44.14	391.62	6.25	-37.89
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300017617687	0	50	-1.0	-43.87	410.22	7.80	-36.07
CC(C)C1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617688	0	47	-1.0	-43.56	394.23	7.41	-36.15
CCC(C)C1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617689	0	50	-1.0	-43.38	412.68	8.07	-35.31
CC(C)(C)SC[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017617690	0	38	-1.0	-44.41	356.28	6.72	-37.69
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300017617691	0	35	-1.0	-40.76	345.07	5.11	-35.65
CCCC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617692	0	47	-1.0	-43.14	398.39	7.70	-35.44
COC1=CC=CC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617693	0	42	-1.0	-44.84	346.20	5.58	-39.26
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300017617694	0	38	-1.0	-46.81	341.71	5.28	-41.53
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300017617695	0	38	-1.0	-39.05	369.22	6.56	-32.49
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC=C1Cl)C(=O)[O-]	REAL300017617696	0	38	-1.0	-42.69	343.80	5.95	-36.74
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300017617697	0	38	-1.0	-40.68	355.29	6.10	-34.58
CC(C)(C)SC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017617698	1	38	-1.0	-47.86	344.25	5.76	-42.10
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300017617699	0	37	-1.0	-42.53	347.96	4.14	-38.39
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300017617700	0	39	-1.0	-40.50	354.85	5.87	-34.63
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300017617701	0	39	-1.0	-40.36	356.92	5.89	-34.47
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300017617702	0	38	-1.0	-43.61	346.40	5.73	-37.88
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC=C1C#N)C(=O)[O-]	REAL300017617703	0	39	-1.0	-46.53	353.87	5.78	-40.75
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300017617704	0	38	-1.0	-43.42	351.66	6.26	-37.16
CC1=C(C)C(C)=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(C)=C1C	REAL300017617705	0	53	-1.0	-46.20	410.52	8.67	-37.53
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300017617706	0	47	-1.0	-49.71	398.93	5.46	-44.25
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017617707	0	43	-1.0	-45.95	378.21	6.67	-39.28
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300017617708	0	54	-1.0	-43.57	435.86	9.30	-34.27
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300017617709	0	41	-1.0	-40.42	374.86	6.50	-33.92
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300017617710	0	48	-1.0	-46.22	398.82	7.98	-38.24
COC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617711	0	46	-1.0	-45.24	375.69	4.89	-40.35
COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1OC	REAL300017617712	0	46	-1.0	-47.17	394.84	4.70	-42.47
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300017617713	0	45	-1.0	-46.71	381.62	7.41	-39.30
CC1=NOC(C)=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617714	0	40	-1.0	-43.76	349.18	4.47	-39.29
COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(OC)=C1	REAL300017617715	0	46	-1.0	-46.04	377.85	4.81	-41.23
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300017617716	0	46	-1.0	-46.17	390.50	7.89	-38.28
CCC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617717	0	44	-1.0	-43.35	376.90	6.92	-36.43
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300017617718	0	38	-1.0	-42.18	334.16	5.21	-36.97
COC1=CC=C(C)C=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617719	0	45	-1.0	-45.16	367.63	6.24	-38.92
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300017617720	0	46	-1.0	-43.70	395.92	4.69	-39.01
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)NC2=C1)C(=O)[O-]	REAL300017617721	0	42	-1.0	-42.23	369.75	2.29	-39.94
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CC2=C1)C(=O)[O-]	REAL300017617722	0	43	-1.0	-43.54	378.12	3.95	-39.59
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300017617723	0	38	-1.0	-41.03	352.84	6.01	-35.02
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300017617724	0	38	-1.0	-41.04	357.41	6.12	-34.92
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017617725	0	40	-1.0	-38.77	362.23	6.15	-32.62
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300017617726	0	44	-1.0	-47.04	381.70	7.82	-39.22
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300017617727	0	38	-1.0	-43.14	334.00	5.48	-37.66
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617728	0	45	-1.0	-48.06	390.39	4.35	-43.71
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017617729	0	40	-1.0	-44.63	362.23	6.15	-38.48
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617730	0	43	-1.0	-41.12	373.50	6.94	-34.18
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CS1)C(=O)[O-]	REAL300017617731	0	35	-1.0	-43.37	328.03	4.49	-38.88
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017617732	0	41	-1.0	-46.33	372.29	5.94	-40.39
CC(C)(C)SC[C@H](NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300017617733	0	41	-1.0	-48.37	351.24	5.67	-42.70
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1CCCC1)C(=O)[O-]	REAL300017617734	0	47	-1.0	-41.08	381.06	6.51	-34.57
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300017617735	0	50	-1.0	-41.14	397.55	7.11	-34.03
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CNN=C1Cl)C(=O)[O-]	REAL300017617736	0	35	-1.0	-46.12	317.75	1.74	-44.38
CC1=CC2=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C2C=C1	REAL300017617737	0	47	-1.0	-46.54	401.29	8.42	-38.12
CC(C)(C)SC[C@H](NS(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300017617738	0	35	-1.0	-41.90	337.46	4.94	-36.96
CC1=CSC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617739	0	38	-1.0	-43.66	349.68	5.16	-38.50
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017617740	0	41	-1.0	-47.52	374.05	6.62	-40.90
CC(C)(C)SC[C@H](NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300017617741	0	44	-1.0	-52.12	374.05	7.41	-44.71
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300017617742	0	43	-1.0	-47.21	371.90	5.36	-41.85
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617743	0	46	-1.0	-42.76	392.48	7.54	-35.22
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300017617744	0	45	-1.0	-47.64	389.98	5.23	-42.41
COC1=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CC=C1Cl	REAL300017617745	0	42	-1.0	-41.60	379.54	5.34	-36.26
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300017617746	0	41	-1.0	-41.22	361.50	2.73	-38.49
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300017617747	0	41	-1.0	-48.70	363.07	4.84	-43.86
CC1=CC=CC(Cl)=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617748	0	41	-1.0	-42.77	357.24	6.85	-35.92
CC(C)(C)SC[C@H](NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300017617749	0	45	-1.0	-44.39	386.09	7.61	-36.78
CC(C)(C)SC[C@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300017617750	0	51	-1.0	-43.91	419.42	5.93	-37.98
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300017617751	0	43	-1.0	-48.46	358.90	5.40	-43.06
CC1=CC(F)=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(F)=C1	REAL300017617752	0	41	-1.0	-46.50	363.57	6.43	-40.07
CC(C)(C)SC[C@H](NS(=O)(=O)CCOCC1CC1)C(=O)[O-]	REAL300017617753	0	45	-1.0	-43.96	385.72	4.76	-39.20
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300017617754	0	42	-1.0	-40.66	376.12	6.54	-34.12
CN(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617755	0	48	-1.0	-47.63	406.76	5.34	-42.29
COC1=CC=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617756	0	42	-1.0	-45.82	365.61	4.80	-41.02
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017617757	0	41	-1.0	-42.18	371.83	6.65	-35.53
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017617758	0	38	-1.0	-43.01	345.78	5.67	-37.34
COC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617759	0	42	-1.0	-41.22	352.62	5.67	-35.55
CCC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017617760	0	46	-1.0	-47.62	398.66	7.34	-40.28
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300017617761	0	43	-1.0	-48.36	371.67	6.11	-42.25
CC(=O)NC1=NC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])S1	REAL300017617762	0	41	-1.0	-50.86	380.77	3.00	-47.86
COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=N1	REAL300017617763	0	41	-1.0	-43.35	362.93	2.22	-41.13
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])O1	REAL300017617764	0	38	-1.0	-47.13	340.70	4.32	-42.81
CC1C(=O)NC2=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C21	REAL300017617766	0	46	-1.0	-42.41	396.97	4.53	-37.88
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300017617767	0	44	-1.0	-45.50	386.85	2.73	-42.77
CC(C)CCC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617768	0	53	-1.0	-42.99	437.46	8.98	-34.01
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300017617769	0	43	-1.0	-45.88	372.03	5.34	-40.54
CN1C(=O)CC2=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CC=C21	REAL300017617770	0	46	-1.0	-44.53	398.93	5.93	-38.60
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300017617771	0	43	-1.0	-43.18	383.81	7.01	-36.17
CN1C(=O)OC2=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CC=C21	REAL300017617772	0	44	-1.0	-46.21	388.14	5.44	-40.77
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300017617773	0	38	-1.0	-39.21	348.57	5.67	-33.54
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])S1	REAL300017617774	0	38	-1.0	-44.41	349.93	5.29	-39.12
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017617775	0	40	-1.0	-45.41	375.80	6.68	-38.73
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])S1	REAL300017617776	0	45	-1.0	-47.00	410.34	3.70	-43.30
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617777	0	48	-1.0	-58.65	407.09	5.27	-53.38
CC(C)(C)SC[C@H](NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017617778	0	35	-1.0	-47.53	357.81	5.59	-41.94
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617779	0	44	-1.0	-43.13	388.78	6.14	-36.99
CNC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617780	0	45	-1.0	-48.64	392.55	3.78	-44.86
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300017617781	0	42	-1.0	-48.17	370.61	2.28	-45.89
CCN(CC)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617782	0	42	-1.0	-42.33	347.70	4.26	-38.07
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])S1	REAL300017617783	0	41	-1.0	-41.62	381.88	5.27	-36.35
CC(C)(C)SC[C@H](NS(=O)(=O)N1CCCCCC1)C(=O)[O-]	REAL300017617784	0	46	-1.0	-42.39	367.71	5.57	-36.82
CCOC(=O)C1=CNN=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617785	0	44	-1.0	-53.63	388.98	4.08	-49.55
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CN=C1Cl)C(=O)[O-]	REAL300017617786	0	37	-1.0	-45.23	343.78	4.22	-41.01
CC1=CC2=CC=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C2N=C1	REAL300017617787	0	46	-1.0	-52.10	382.46	7.26	-44.84
COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300017617788	0	44	-1.0	-48.15	377.39	6.19	-41.96
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617789	0	42	-1.0	-41.37	362.94	6.11	-35.26
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300017617790	0	43	-1.0	-52.99	390.36	0.47	-52.52
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017617791	0	43	-1.0	-39.09	383.48	6.81	-32.28
CC(C)(C)SC[C@H](NS(=O)(=O)N1CCOCC1)C(=O)[O-]	REAL300017617792	0	41	-1.0	-38.87	332.24	1.93	-36.94
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017617793	0	41	-1.0	-40.16	361.67	6.21	-33.95
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(Cl)=C1	REAL300017617794	0	41	-1.0	-52.57	369.00	6.67	-45.90
CC(C)(C)SC[C@H](NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300017617795	0	38	-1.0	-50.30	367.15	5.60	-44.70
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017617796	0	44	-1.0	-46.59	396.82	3.01	-43.58
CC(C)(C)SC[C@H](NS(=O)(=O)N1CCCCC1)C(=O)[O-]	REAL300017617797	0	43	-1.0	-42.42	354.33	4.76	-37.66
CC(C)(C)SC[C@H](NS(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300017617798	0	40	-1.0	-43.83	338.35	3.85	-39.98
CC1=CC(F)=CC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617799	0	41	-1.0	-40.08	354.55	6.43	-33.65
CC(C)(C)SC[C@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300017617800	0	47	-1.0	-43.53	392.50	6.85	-36.68
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C2=CC=CN=C12	REAL300017617801	0	46	-1.0	-48.01	392.09	6.81	-41.20
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1C	REAL300017617802	0	46	-1.0	-50.70	392.65	8.21	-42.49
CCOC(=O)C1CCCN(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C1	REAL300017617803	0	52	-1.0	-45.65	430.07	6.29	-39.36
CC1CCN(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])CC1	REAL300017617804	0	46	-1.0	-42.63	375.07	5.34	-37.29
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300017617805	0	38	-1.0	-47.83	353.98	6.07	-41.76
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017617806	0	40	-1.0	-45.14	370.27	7.51	-37.63
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C#N)C(=O)[O-]	REAL300017617807	0	39	-1.0	-43.57	370.12	6.34	-37.23
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017617808	0	44	-1.0	-57.00	396.82	3.03	-53.97
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300017617809	0	48	-1.0	-47.13	399.37	9.32	-37.81
CC1CC(C)CN(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C1	REAL300017617810	0	49	-1.0	-51.31	385.95	5.46	-45.85
CCOC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617811	0	47	-1.0	-46.19	412.76	7.07	-39.12
CC(C)(C)SC[C@H](NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300017617812	0	43	-1.0	-48.67	380.48	1.45	-47.22
COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(C)=C1C	REAL300017617813	0	48	-1.0	-44.48	393.81	6.29	-38.19
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300017617814	0	43	-1.0	-46.43	374.98	5.86	-40.57
COC1=CC(F)=CC(F)=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617815	0	42	-1.0	-43.27	370.87	5.95	-37.32
CC1=CC(C#N)=CC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617816	0	42	-1.0	-39.24	368.13	6.71	-32.53
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300017617817	0	39	-1.0	-43.02	350.43	5.61	-37.41
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1C	REAL300017617818	0	47	-1.0	-43.54	406.55	6.74	-36.80
COC(=O)CCN(C)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617819	0	45	-1.0	-44.82	389.81	4.41	-40.41
CN(C1CCOCC1)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617820	0	47	-1.0	-50.62	381.44	3.48	-47.14
CC(C)(C)SC[C@H](NS(=O)(=O)N1CC2CCC1C2)C(=O)[O-]	REAL300017617821	0	44	-1.0	-44.27	361.89	5.00	-39.27
CC1=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300017617822	0	47	-1.0	-50.77	404.17	6.68	-44.09
CCN1N=C(C)C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1C	REAL300017617823	0	47	-1.0	-47.70	394.22	5.43	-42.27
CC(C)N1C=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=N1	REAL300017617824	0	44	-1.0	-47.85	380.86	4.59	-43.26
CC(C)CN1C=NC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617825	0	47	-1.0	-47.82	398.55	6.42	-41.40
CC(C)N1C=NC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617826	0	44	-1.0	-50.77	379.46	5.85	-44.92
CC(C)C1=NC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CN1	REAL300017617827	0	44	-1.0	-55.40	374.36	4.44	-50.96
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300017617828	0	50	-1.0	-44.69	381.84	8.20	-36.49
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617829	0	46	-1.0	-53.23	400.49	4.90	-48.33
CC1=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(N)=NO1	REAL300017617830	0	39	-1.0	-42.03	340.44	2.88	-39.15
CC(C)(C)SC[C@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300017617831	0	51	-1.0	-41.75	432.28	6.98	-34.77
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300017617832	0	42	-1.0	-52.39	374.49	5.62	-46.77
CC(C)(C)SC[C@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300017617833	0	40	-1.0	-48.55	353.18	5.34	-43.21
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=N1	REAL300017617834	0	40	-1.0	-46.17	352.70	4.34	-41.83
CC(C)(C)SC[C@H](NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017617835	1	38	-1.0	-45.98	358.03	6.34	-39.64
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(Cl)=N1	REAL300017617836	0	40	-1.0	-44.80	360.56	4.65	-40.15
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300017617837	0	42	-1.0	-43.74	380.09	6.44	-37.30
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300017617838	0	37	-1.0	-39.02	353.84	4.17	-34.85
COC1=NC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300017617839	0	41	-1.0	-41.73	379.36	2.72	-39.01
CC(C)(C)CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617840	0	43	-1.0	-41.89	349.92	5.35	-36.54
CC1=CC(C)=CC(CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617841	0	47	-1.0	-45.40	401.26	7.50	-37.90
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617842	0	49	-1.0	-47.10	403.15	5.01	-42.09
CNC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617843	0	48	-1.0	-46.50	411.74	4.42	-42.08
CC1=CC(F)=CC=C1CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617844	0	44	-1.0	-41.32	380.61	6.83	-34.49
CC1CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])CCO1	REAL300017617845	0	45	-1.0	-40.08	359.34	3.75	-36.33
CC(COC1CCCC1)CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617846	0	54	-1.0	-40.86	435.50	6.82	-34.04
CCOCC(C)CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617847	0	47	-1.0	-40.00	387.36	4.72	-35.28
CC(CC#N)N(C)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617848	0	43	-1.0	-47.16	365.19	4.56	-42.60
COCCN(CCC#N)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617849	0	47	-1.0	-37.90	396.89	3.91	-33.99
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300017617851	0	43	-1.0	-50.10	377.29	5.88	-44.22
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017617852	0	41	-1.0	-46.30	370.05	6.27	-40.03
CCN(CC(C)C#N)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617853	0	46	-1.0	-42.68	381.54	5.07	-37.61
CC(C#N)CN(C)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617854	0	43	-1.0	-42.29	371.03	4.80	-37.49
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300017617855	0	41	-1.0	-41.98	366.99	6.01	-35.97
CC1=CC=C(CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1C	REAL300017617856	0	47	-1.0	-45.40	396.85	7.39	-38.01
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300017617857	0	41	-1.0	-38.53	373.60	4.58	-33.95
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617858	0	48	-1.0	-48.07	405.60	4.27	-43.80
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300017617859	0	49	-1.0	-44.99	415.91	6.80	-38.19
CC(C)(C)SC[C@H](NS(=O)(=O)CC1(CC#N)CC1)C(=O)[O-]	REAL300017617860	0	42	-1.0	-48.85	368.77	5.72	-43.13
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300017617861	0	46	-1.0	-43.58	405.15	4.05	-39.53
CN1N=NC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617862	0	37	-1.0	-43.90	323.06	1.64	-42.26
CC1=CC=C(CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(F)=C1	REAL300017617863	0	44	-1.0	-48.07	385.16	6.88	-41.19
CC(C(=O)N(C)C)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617864	0	44	-1.0	-60.31	367.67	3.12	-57.19
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017617865	0	51	-1.0	-43.43	423.42	8.75	-34.68
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300017617866	0	49	-1.0	-44.28	413.38	6.16	-38.12
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1CCC1)C(=O)[O-]	REAL300017617867	0	44	-1.0	-40.89	365.09	5.98	-34.91
CC(C)(C)CCCS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617868	0	49	-1.0	-41.48	396.75	6.40	-35.08
CC(C)(C)SC[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300017617869	0	47	-1.0	-47.79	392.66	2.60	-45.19
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617870	0	47	-1.0	-44.90	413.89	8.28	-36.62
CC1=C(CCS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])SC=N1	REAL300017617871	0	43	-1.0	-43.67	383.90	4.69	-38.98
COCC1(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])CC1	REAL300017617872	0	42	-1.0	-42.36	352.95	4.61	-37.75
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300017617873	0	44	-1.0	-46.83	371.76	7.69	-39.14
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017617874	0	43	-1.0	-52.64	379.12	7.37	-45.27
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017617875	0	48	-1.0	-46.69	410.30	8.90	-37.79
CC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617876	0	41	-1.0	-40.66	351.53	6.33	-34.33
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617877	0	53	-1.0	-44.00	424.45	8.27	-35.73
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300017617878	0	41	-1.0	-41.53	369.47	6.58	-34.95
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617879	0	48	-1.0	-44.89	405.37	6.34	-38.55
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300017617880	0	38	-1.0	-36.92	353.00	5.66	-31.26
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(F)=C1	REAL300017617881	0	41	-1.0	-48.05	351.09	5.90	-42.15
CC1=CC=CC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617882	0	41	-1.0	-43.20	348.58	6.38	-36.82
CC1=NC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CN1C	REAL300017617883	0	41	-1.0	-53.17	359.29	4.43	-48.74
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017617884	0	38	-1.0	-39.10	341.74	5.27	-33.83
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300017617885	0	39	-1.0	-51.48	339.87	4.58	-46.90
CC1=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CC=C1F	REAL300017617886	0	41	-1.0	-41.55	362.83	6.20	-35.35
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017617887	0	43	-1.0	-51.57	360.86	6.61	-44.96
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300017617888	0	38	-1.0	-47.53	345.32	5.66	-41.87
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617889	0	44	-1.0	-39.85	374.44	6.26	-33.59
CC1=CC=C(F)C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617890	0	41	-1.0	-47.98	350.46	5.82	-42.16
COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1F	REAL300017617891	0	42	-1.0	-46.15	371.83	4.87	-41.28
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1F	REAL300017617892	0	41	-1.0	-41.77	360.73	6.19	-35.58
CC(C)(C)SC[C@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017617893	1	38	-1.0	-41.72	350.60	5.83	-35.89
CN1C=NC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617894	0	38	-1.0	-52.61	340.12	4.60	-48.01
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CN=C1)C(=O)[O-]	REAL300017617895	0	37	-1.0	-43.30	331.11	3.71	-39.59
CC(C)(C)SC[C@H](NS(=O)(=O)CCCC#N)C(=O)[O-]	REAL300017617896	0	38	-1.0	-40.78	337.69	4.42	-36.36
CC1CCCCN1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617897	0	46	-1.0	-41.59	360.93	5.49	-36.10
CC(C)N(C)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617898	0	42	-1.0	-40.48	345.22	3.98	-36.50
CCCN(CCC)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617899	0	48	-1.0	-42.60	390.16	5.76	-36.84
CN(CCC#N)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617900	0	40	-1.0	-42.61	355.56	4.15	-38.46
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300017617901	0	42	-1.0	-43.55	376.10	6.53	-37.02
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1=CC=CC=C1)C(=O)[O-]	REAL300017617902	0	44	-1.0	-43.48	379.92	6.95	-36.53
COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C2=CC=CC=C12	REAL300017617903	0	48	-1.0	-49.43	405.69	7.23	-42.20
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1C(N)=O	REAL300017617904	0	45	-1.0	-43.42	386.34	2.98	-40.44
COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1C(N)=O	REAL300017617905	0	46	-1.0	-47.35	397.93	2.87	-44.48
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617906	0	43	-1.0	-38.24	373.48	6.93	-31.31
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(F)=C1	REAL300017617907	0	45	-1.0	-61.73	385.10	4.05	-57.68
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617908	0	43	-1.0	-42.76	370.73	6.85	-35.91
CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])CC1	REAL300017617909	0	52	-1.0	-42.30	430.70	6.29	-36.01
CN1C=NC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1Cl	REAL300017617910	0	38	-1.0	-49.51	352.97	5.03	-44.48
CCCCN(C)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617911	0	45	-1.0	-40.70	377.44	5.19	-35.51
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617912	0	46	-1.0	-41.43	392.84	7.85	-33.58
CC(C)CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617913	0	50	-1.0	-44.40	417.27	8.19	-36.21
COCCC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617914	0	48	-1.0	-44.54	412.67	6.01	-38.53
COCCN(CCOC)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617915	0	50	-1.0	-42.42	407.06	2.79	-39.63
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617916	0	41	-1.0	-40.31	361.89	6.78	-33.53
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CN1	REAL300017617917	0	42	-1.0	-49.72	379.50	3.85	-45.87
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300017617918	0	39	-1.0	-41.91	360.23	5.84	-36.07
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300017617919	0	39	-1.0	-40.87	365.54	6.11	-34.76
CC1=C(F)C=CC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617920	0	41	-1.0	-42.40	353.75	6.40	-36.00
COC(=O)CN1C=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=N1	REAL300017617921	0	44	-1.0	-52.34	395.48	4.29	-48.05
CCC1=NC2=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CC=C2O1	REAL300017617922	0	46	-1.0	-47.14	401.25	3.91	-43.23
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617923	0	44	-1.0	-43.36	397.30	6.21	-37.15
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617924	0	53	-1.0	-48.15	428.83	6.52	-41.63
CC1=CC=C(CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1F	REAL300017617925	0	44	-1.0	-43.03	385.16	6.88	-36.15
COCCC(C)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617926	0	44	-1.0	-52.76	363.77	3.63	-49.13
CCC(C)CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617927	0	43	-1.0	-41.68	353.98	5.32	-36.36
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300017617928	0	42	-1.0	-45.52	376.26	6.65	-38.87
CC(C)(C)SC[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300017617929	0	56	-1.0	-43.22	423.23	7.19	-36.03
CC1=NC2=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=CC=C2C=C1	REAL300017617930	0	46	-1.0	-51.93	380.27	7.09	-44.84
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017617931	0	46	-1.0	-52.04	396.27	7.32	-44.72
CCN(CC1CC1)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617932	0	46	-1.0	-40.92	381.70	5.91	-35.01
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300017617933	0	49	-1.0	-46.51	413.26	4.04	-42.47
CCCN1C=NC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617934	0	44	-1.0	-49.95	381.33	6.21	-43.74
CC(C)(C)SC[C@H](NS(=O)(=O)C1=C(C#N)SC=C1)C(=O)[O-]	REAL300017617935	0	36	-1.0	-46.35	328.19	4.19	-42.16
CC(C)(C)SC[C@H](NS(=O)(=O)CC1CCC(F)CC1)C(=O)[O-]	REAL300017617936	0	47	-1.0	-42.79	379.15	6.59	-36.20
CC1=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CC=C1Cl	REAL300017617937	0	41	-1.0	-40.66	369.47	6.57	-34.09
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300017617938	0	44	-1.0	-51.92	382.12	6.46	-45.46
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017617939	0	41	-1.0	-42.34	375.31	6.66	-35.68
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617940	0	45	-1.0	-51.12	392.03	2.94	-48.18
CCC1(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])CC1	REAL300017617941	0	41	-1.0	-40.81	338.14	5.15	-35.66
CCC1CCN(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])CC1	REAL300017617942	0	49	-1.0	-42.76	393.59	5.99	-36.77
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017617943	0	44	-1.0	-41.14	383.17	6.99	-34.15
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300017617944	0	44	-1.0	-46.89	385.50	6.99	-39.90
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017617945	0	44	-1.0	-44.14	389.43	7.30	-36.84
COC1CCN(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])CC1	REAL300017617946	0	47	-1.0	-40.30	386.10	3.76	-36.54
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617947	0	51	-1.0	-43.87	424.03	7.15	-36.72
CC(CC(F)(F)F)CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617948	0	43	-1.0	-38.46	366.69	5.63	-32.83
COC1=CC(F)=CC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617949	0	42	-1.0	-41.54	354.80	5.58	-35.96
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])O1	REAL300017617950	0	44	-1.0	-47.11	393.54	4.87	-42.24
CCC1=NC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CN1CC1CC1	REAL300017617951	0	51	-1.0	-54.99	425.98	8.20	-46.79
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300017617952	0	41	-1.0	-44.31	375.85	5.01	-39.30
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017617953	0	46	-1.0	-44.71	396.77	7.91	-36.80
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617954	0	45	-1.0	-43.14	380.42	5.34	-37.80
COC(CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300017617955	0	48	-1.0	-42.50	414.60	6.15	-36.35
CC(C)(C)SC[C@H](NS(=O)(=O)CC1(C(F)F)CCCC1)C(=O)[O-]	REAL300017617956	0	47	-1.0	-45.39	378.03	6.77	-38.62
CCOC1(CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])CCOCC1	REAL300017617957	0	52	-1.0	-41.66	409.09	4.19	-37.47
CCOC(CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C1CC1	REAL300017617958	0	48	-1.0	-44.11	398.72	5.78	-38.33
CC1=NC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])N1C	REAL300017617959	0	41	-1.0	-45.07	353.19	4.49	-40.58
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617960	0	41	-1.0	-41.84	376.70	4.16	-37.68
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617961	0	44	-1.0	-46.84	389.88	7.16	-39.68
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300017617962	0	46	-1.0	-43.80	394.16	3.26	-40.54
COC1=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017617963	0	44	-1.0	-42.27	391.65	6.24	-36.03
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617964	0	44	-1.0	-40.15	383.86	7.26	-32.89
COCCN1C=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=N1	REAL300017617965	0	45	-1.0	-46.48	395.86	3.12	-43.36
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617966	0	51	-1.0	-48.27	426.18	6.95	-41.32
CC(C)(C)CCS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617967	0	46	-1.0	-42.16	375.25	5.64	-36.52
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300017617968	0	45	-1.0	-48.96	400.47	6.04	-42.92
CC(C)(C)SC[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017617969	0	46	-1.0	-43.35	408.15	7.62	-35.73
CC(C)(C)SC[C@H](NS(=O)(=O)CC1CCOCC1)C(=O)[O-]	REAL300017617970	0	45	-1.0	-41.87	368.55	4.17	-37.70
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300017617971	0	41	-1.0	-42.53	366.98	6.24	-36.29
CC1CCN(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C1	REAL300017617972	0	43	-1.0	-42.65	358.63	4.50	-38.15
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617973	0	45	-1.0	-44.03	378.22	5.53	-38.50
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300017617974	0	41	-1.0	-47.35	380.07	4.56	-42.79
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300017617975	0	49	-1.0	-46.67	413.54	6.76	-39.91
COC(=O)C(C)CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617976	0	43	-1.0	-47.24	369.46	4.70	-42.54
CCC1=CC=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617977	0	44	-1.0	-44.70	378.99	6.92	-37.78
CCC1=CC=C(CS(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617978	0	47	-1.0	-44.44	401.42	7.63	-36.81
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617979	0	43	-1.0	-48.06	386.61	6.44	-41.62
CC(C)CN(C)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617980	0	45	-1.0	-40.50	370.93	5.23	-35.27
CN(C1CCCC1)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617981	0	46	-1.0	-41.65	365.20	5.10	-36.55
CCCN(C)S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617982	0	42	-1.0	-41.41	356.20	4.41	-37.00
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017617983	0	41	-1.0	-50.13	369.06	6.23	-43.90
CC(C)(C)SC[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300017617984	0	47	-1.0	-42.42	381.70	3.79	-38.63
COC1=C(C)C=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1C	REAL300017617985	0	48	-1.0	-46.24	409.68	6.37	-39.87
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617986	0	51	-1.0	-44.84	429.06	7.22	-37.62
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617987	0	48	-1.0	-43.40	406.85	6.50	-36.90
COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300017617988	0	42	-1.0	-43.70	379.54	5.34	-38.36
COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1C	REAL300017617989	0	45	-1.0	-43.96	383.58	5.52	-38.44
CC1=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CC=C1OC(C)C	REAL300017617990	0	51	-1.0	-45.51	425.46	7.09	-38.42
COC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C(C)=C1	REAL300017617991	0	45	-1.0	-43.08	374.19	5.55	-37.53
COCCOC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1	REAL300017617992	0	49	-1.0	-48.21	421.08	5.00	-43.21
CC(C)(C)SC[C@H](NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300017617993	0	41	-1.0	-46.11	360.59	6.18	-39.93
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617994	0	48	-1.0	-43.32	408.66	5.33	-37.99
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300017617995	0	39	-1.0	-38.95	370.21	6.28	-32.67
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1C	REAL300017617996	0	46	-1.0	-48.10	382.76	8.34	-39.76
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300017617997	0	39	-1.0	-41.03	372.36	6.31	-34.72
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])O1	REAL300017617998	0	41	-1.0	-46.21	375.65	4.29	-41.92
CC1=NC(C)=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])S1	REAL300017617999	0	40	-1.0	-43.71	360.98	4.11	-39.60
CC(C)(C)SC[C@H](NS(=O)(=O)CC1CCCC1)C(=O)[O-]	REAL300017618000	0	44	-1.0	-41.99	361.65	5.89	-36.10
CC1=CC=C(CS(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017619609	0	38	-1.0	-43.09	328.54	5.65	-37.44
N#CCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619610	0	36	-1.0	-45.05	321.46	5.39	-39.66
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC(F)=C1F	REAL300017619611	0	38	-1.0	-41.10	334.66	5.39	-35.71
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C1CC1	REAL300017619612	0	44	-1.0	-45.08	360.13	5.54	-39.54
O=C([O-])C[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C1CC1	REAL300017619613	0	50	-1.0	-40.91	365.94	6.24	-34.67
CC1=NC2=C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)C=CC=C2C=C1	REAL300017619614	0	40	-1.0	-50.40	338.81	5.49	-44.91
O=C([O-])C[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300017619615	0	40	-1.0	-47.95	342.97	6.13	-41.82
O=C([O-])C[C@@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C1CC1	REAL300017619616	0	43	-1.0	-43.69	358.12	2.76	-40.93
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619617	0	46	-1.0	-42.82	399.52	5.77	-37.05
CCCN1C=NC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619618	0	38	-1.0	-46.24	328.85	4.96	-41.28
N#CC1=CC(F)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300017619619	0	33	-1.0	-50.48	316.84	5.66	-44.82
N#CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=CS1	REAL300017619620	0	30	-1.0	-57.05	282.03	4.13	-52.92
O=C([O-])C[C@@H](NS(=O)(=O)CC1CCC(F)CC1)C1CC1	REAL300017619621	0	41	-1.0	-39.32	327.12	5.43	-33.89
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1Cl	REAL300017619622	0	35	-1.0	-40.71	315.68	5.36	-35.35
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C1CC1	REAL300017619623	0	38	-1.0	-47.09	328.34	5.23	-41.86
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)C=C2)=N1	REAL300017619624	0	41	-1.0	-43.20	355.24	6.12	-37.08
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1F	REAL300017619625	0	38	-1.0	-53.93	346.04	5.87	-48.06
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619626	0	41	-1.0	-44.22	342.82	5.85	-38.37
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619627	0	38	-1.0	-41.74	334.25	6.12	-35.62
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C1CC1	REAL300017619628	0	35	-1.0	-42.06	321.68	5.46	-36.60
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C1CC1	REAL300017619629	0	32	-1.0	-37.19	307.10	5.76	-31.43
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619630	0	39	-1.0	-46.79	324.93	2.08	-44.71
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619631	0	57	-1.0	-43.39	459.54	9.14	-34.25
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619632	0	47	-1.0	-46.91	389.08	6.56	-40.35
CCC1CCN(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CC1	REAL300017619633	0	43	-1.0	-40.72	335.98	5.01	-35.71
O=C([O-])C[C@@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C1CC1	REAL300017619634	0	38	-1.0	-41.12	329.73	5.79	-35.33
O=C([O-])C[C@@H](NS(=O)(=O)CCC1=CC=CC=C1F)C1CC1	REAL300017619635	0	38	-1.0	-43.82	328.88	5.76	-38.06
O=C([O-])C[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C1CC1	REAL300017619636	0	38	-1.0	-42.65	336.00	6.10	-36.55
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619637	0	36	-1.0	-39.15	333.37	5.12	-34.03
COC1=CC2=C(C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1)C(=O)NCCC2	REAL300017619638	0	47	-1.0	-50.46	382.50	3.54	-46.92
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)S2)C1	REAL300017619639	0	43	-1.0	-42.69	358.91	5.13	-37.56
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)SC2=CC=C(C#N)C=C12	REAL300017619640	0	39	-1.0	-41.72	352.50	6.79	-34.93
COC1CCN(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CC1	REAL300017619641	0	41	-1.0	-53.87	319.82	2.11	-51.76
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C1CC1	REAL300017619642	0	35	-1.0	-41.84	324.92	5.57	-36.27
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619643	0	45	-1.0	-46.65	370.25	5.92	-40.73
CC(CC(F)(F)F)CS(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619644	0	37	-1.0	-38.13	309.53	4.34	-33.79
O=C([O-])C[C@@H](NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C1CC1	REAL300017619645	0	39	-1.0	-49.72	341.94	6.21	-43.51
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)=C2)=N1	REAL300017619646	0	44	-1.0	-43.56	368.56	3.96	-39.60
COC1=CC(F)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619647	0	36	-1.0	-54.06	318.96	4.33	-49.73
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)O1	REAL300017619648	0	38	-1.0	-43.62	330.72	3.95	-39.67
CCC1=NC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CN1CC1CC1	REAL300017619649	0	45	-1.0	-51.10	369.38	6.34	-44.76
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)C=C2C1	REAL300017619650	0	43	-1.0	-45.75	354.02	5.21	-40.54
O=C([O-])C[C@@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C1CC1	REAL300017619651	0	35	-1.0	-43.06	309.45	4.18	-38.88
O=C([O-])C[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C1CC1	REAL300017619652	0	35	-1.0	-49.41	324.06	3.82	-45.59
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300017619653	0	51	-1.0	-42.48	400.47	7.70	-34.78
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(C)=C1[N+](=O)[O-]	REAL300017619654	0	40	-1.0	-46.47	340.16	6.59	-39.88
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619655	0	39	-1.0	-43.93	320.66	3.92	-40.01
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C1CC1	REAL300017619656	0	45	-1.0	-55.85	379.48	6.38	-49.47
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C1CC1	REAL300017619657	0	46	-1.0	-46.46	397.99	7.63	-38.83
COC(CS(=O)(=O)N[C@H](CC(=O)[O-])C1CC1)C1=CC=C(F)C=C1	REAL300017619658	0	42	-1.0	-42.53	348.91	5.56	-36.97
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C1CC1	REAL300017619659	0	44	-1.0	-45.82	363.34	5.65	-40.17
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017619660	0	40	-1.0	-43.37	349.84	3.51	-39.86
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)C=CC=C12	REAL300017619661	0	44	-1.0	-44.68	368.30	6.96	-37.72
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017619662	0	43	-1.0	-45.39	364.85	3.35	-42.04
O=C([O-])C[C@@H](NS(=O)(=O)CC1(C(F)F)CCCC1)C1CC1	REAL300017619663	0	41	-1.0	-38.54	327.28	5.41	-33.13
CCOC1(CS(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CCOCC1	REAL300017619664	0	46	-1.0	-41.22	351.86	2.88	-38.34
CCOC(CS(=O)(=O)N[C@H](CC(=O)[O-])C1CC1)C1CC1	REAL300017619665	0	42	-1.0	-41.73	342.14	4.53	-37.20
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1F	REAL300017619666	0	38	-1.0	-54.02	335.72	5.44	-48.58
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)=C(Cl)C=C21	REAL300017619667	0	43	-1.0	-51.76	354.34	6.13	-45.63
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619668	0	35	-1.0	-40.87	318.98	2.79	-38.08
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C1CC1	REAL300017619669	0	43	-1.0	-46.10	380.45	8.34	-37.76
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619670	0	35	-1.0	-36.33	317.62	5.51	-30.82
CC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1Br	REAL300017619671	0	35	-1.0	-40.38	301.83	5.93	-34.45
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619672	0	38	-1.0	-47.05	335.53	5.55	-41.50
O=C([O-])C[C@@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1CC1	REAL300017619673	0	40	-1.0	-43.04	327.70	2.34	-40.70
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619674	0	36	-1.0	-40.72	319.80	4.56	-36.16
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300017619675	0	38	-1.0	-41.55	324.53	5.39	-36.16
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619676	0	38	-1.0	-37.49	326.63	5.91	-31.58
COCCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=N1	REAL300017619677	0	39	-1.0	-43.33	334.40	2.16	-41.17
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619678	0	45	-1.0	-46.66	366.82	5.61	-41.05
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C1CC1	REAL300017619679	0	39	-1.0	-47.97	343.56	4.76	-43.21
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1C	REAL300017619680	0	59	-1.0	-46.53	459.81	8.49	-38.04
O=C([O-])C[C@@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300017619681	0	40	-1.0	-42.40	351.53	6.40	-36.00
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C1CC1	REAL300017619682	0	32	-1.0	-40.18	307.52	4.94	-35.24
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C1CC1	REAL300017619683	0	35	-1.0	-40.87	313.54	5.04	-35.83
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C1CC1	REAL300017619684	0	39	-1.0	-55.60	336.44	2.23	-53.37
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300017619685	0	41	-1.0	-42.05	344.93	5.61	-36.44
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619686	0	35	-1.0	-40.35	309.19	5.51	-34.84
COCC1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619687	0	39	-1.0	-42.94	323.33	4.21	-38.73
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1Br	REAL300017619688	0	36	-1.0	-41.95	330.43	4.25	-37.70
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C(Cl)S1	REAL300017619689	0	35	-1.0	-58.64	332.23	2.09	-56.55
O=C([O-])C[C@@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C1CC1	REAL300017619690	0	35	-1.0	-49.58	324.86	3.29	-46.29
CC1(C)CC2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)=CC=C2O1	REAL300017619691	0	43	-1.0	-45.16	357.98	5.54	-39.62
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017619692	0	40	-1.0	-42.19	359.46	1.06	-41.13
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017619693	0	43	-1.0	-41.49	380.93	1.95	-39.54
CCC(=O)NCC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1OC	REAL300017619694	0	49	-1.0	-46.09	399.93	3.80	-42.29
CCC1=CC=C(CS(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619695	0	41	-1.0	-43.20	344.70	6.38	-36.82
COC1=CC=C(Br)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619696	0	36	-1.0	-57.34	316.65	4.83	-52.51
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C1CC1	REAL300017619697	0	47	-1.0	-42.94	394.26	4.72	-38.22
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619698	0	41	-1.0	-53.01	353.94	2.76	-50.25
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C1CC1	REAL300017619699	0	34	-1.0	-40.37	320.04	4.26	-36.11
CC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1Br	REAL300017619700	0	37	-1.0	-40.24	325.79	5.66	-34.58
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619701	0	37	-1.0	-66.00	326.15	5.77	-60.23
N#CC1=CC(Br)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619702	0	33	-1.0	-37.06	311.19	5.63	-31.43
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300017619703	0	39	-1.0	-43.78	352.28	5.17	-38.61
O=C([O-])C[C@@H](NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C1CC1	REAL300017619704	0	46	-1.0	-42.25	395.31	3.66	-38.59
O=C([O-])C[C@@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C1CC1	REAL300017619705	0	35	-1.0	-48.52	312.44	5.00	-43.52
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619706	0	45	-1.0	-44.29	389.12	6.26	-38.03
CC1(C)CN(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CCO1	REAL300017619707	0	41	-1.0	-41.75	321.38	2.65	-39.10
COC1=C(C)C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017619708	0	42	-1.0	-44.76	353.01	5.11	-39.65
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619709	0	48	-1.0	-43.45	391.11	6.54	-36.91
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C1CC1	REAL300017619710	0	46	-1.0	-42.20	363.38	6.83	-35.37
CC(C)COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619711	0	45	-1.0	-43.58	372.15	5.93	-37.65
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619712	0	42	-1.0	-43.54	352.04	5.24	-38.30
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017619713	0	36	-1.0	-43.91	326.03	4.13	-39.78
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C1CC1	REAL300017619714	0	36	-1.0	-44.07	335.79	4.40	-39.67
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017619715	0	39	-1.0	-42.70	318.58	4.68	-38.02
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1OC(C)C	REAL300017619716	0	45	-1.0	-42.84	358.46	6.24	-36.60
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(C)=C1	REAL300017619717	0	39	-1.0	-42.65	321.18	4.32	-38.33
COCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619718	0	43	-1.0	-45.69	364.17	3.71	-41.98
COCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017619719	0	46	-1.0	-46.67	385.29	4.49	-42.18
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC=CC=C1F)C1CC1	REAL300017619720	0	35	-1.0	-47.10	307.13	4.98	-42.12
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619721	0	43	-1.0	-52.25	371.01	3.92	-48.33
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C1CC1	REAL300017619722	0	47	-1.0	-46.92	373.38	4.04	-42.88
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619723	0	42	-1.0	-55.49	352.52	4.12	-51.37
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(Br)=C1	REAL300017619724	0	35	-1.0	-40.44	304.34	6.01	-34.43
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619725	0	38	-1.0	-63.53	344.14	2.81	-60.72
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619726	0	38	-1.0	-43.27	332.33	6.11	-37.16
N#CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017619727	0	33	-1.0	-38.09	305.21	5.44	-32.65
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619728	0	35	-1.0	-38.31	308.72	5.51	-32.80
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1C	REAL300017619729	0	40	-1.0	-49.95	325.13	6.89	-43.06
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619730	0	38	-1.0	-60.45	338.16	5.95	-54.50
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619731	0	41	-1.0	-44.55	348.13	2.42	-42.13
N#CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(C(F)(F)F)=C1	REAL300017619732	0	36	-1.0	-40.76	322.12	5.98	-34.78
N#CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1Cl	REAL300017619733	0	33	-1.0	-38.68	305.24	5.43	-33.25
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619734	0	48	-1.0	-49.91	390.43	5.96	-43.95
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1CC1	REAL300017619735	0	44	-1.0	-46.90	378.08	2.50	-44.40
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619736	0	40	-1.0	-48.79	355.82	0.38	-48.41
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)S1	REAL300017619737	0	42	-1.0	-48.08	376.95	3.23	-44.85
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)O1	REAL300017619738	0	35	-1.0	-43.55	321.07	3.14	-40.41
CC1=NC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)S1	REAL300017619739	0	34	-1.0	-42.22	297.81	2.94	-39.28
O=C([O-])C[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1CC1	REAL300017619740	1	34	-1.0	-45.38	301.52	5.76	-39.62
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C1CC1	REAL300017619741	0	35	-1.0	-38.91	335.28	5.95	-32.96
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C(C)N1	REAL300017619742	0	45	-1.0	-43.80	373.14	4.78	-39.02
O=C([O-])C[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C1CC1	REAL300017619743	0	32	-1.0	-41.86	283.80	5.43	-36.43
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)S2)=CS1	REAL300017619744	0	38	-1.0	-46.12	360.30	4.85	-41.27
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C1CC1	REAL300017619745	0	52	-1.0	-43.75	413.77	7.83	-35.92
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C1CC1	REAL300017619746	0	42	-1.0	-48.57	377.52	3.83	-44.74
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619747	0	41	-1.0	-41.67	342.29	5.55	-36.12
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1CC1	REAL300017619748	0	34	-1.0	-46.30	311.68	6.29	-40.01
COC1=CC(F)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1OC	REAL300017619749	0	40	-1.0	-43.62	326.49	3.79	-39.83
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1OC	REAL300017619750	0	43	-1.0	-42.94	350.39	4.22	-38.72
O=C([O-])C[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C1CC1	REAL300017619751	1	34	-1.0	-42.24	325.74	6.76	-35.48
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619752	0	40	-1.0	-62.31	345.40	5.83	-56.48
O=C([O-])C[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C1CC1	REAL300017619753	0	35	-1.0	-48.72	314.71	4.98	-43.74
CN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C(N)=O	REAL300017619754	0	37	-1.0	-46.15	322.38	0.38	-45.77
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619755	0	35	-1.0	-38.34	304.16	5.40	-32.94
CCOC(=O)C1CCCN1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619756	0	43	-1.0	-43.47	350.84	5.16	-38.31
CNC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CN1C	REAL300017619757	0	40	-1.0	-46.12	340.46	1.77	-44.35
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(C)=C1	REAL300017619758	0	42	-1.0	-42.88	330.04	4.85	-38.03
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C1CC1	REAL300017619759	0	40	-1.0	-59.06	336.69	4.64	-54.42
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619760	0	41	-1.0	-42.90	356.63	5.61	-37.29
COC(=O)C1CCN(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CC1	REAL300017619761	0	43	-1.0	-55.62	342.02	3.73	-51.89
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C1CC1	REAL300017619762	0	43	-1.0	-45.53	355.83	4.38	-41.15
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619763	0	41	-1.0	-46.05	356.63	5.60	-40.45
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)O1	REAL300017619764	0	38	-1.0	-43.63	342.94	4.07	-39.56
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619765	0	45	-1.0	-45.82	386.01	5.29	-40.53
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C	REAL300017619766	0	42	-1.0	-41.61	340.15	4.89	-36.72
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C1CC1	REAL300017619767	0	36	-1.0	-50.78	318.59	4.62	-46.16
CCOC(=O)CCCS(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619768	0	40	-1.0	-41.68	336.96	4.32	-37.36
O=C([O-])C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C1CC1	REAL300017619769	0	35	-1.0	-42.48	311.62	6.17	-36.31
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C1CC1	REAL300017619770	0	34	-1.0	-46.16	316.26	6.40	-39.76
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619771	0	37	-1.0	-49.67	308.46	6.41	-43.26
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C1CC1	REAL300017619772	0	34	-1.0	-37.29	311.15	6.00	-31.29
O=C([O-])C[C@@H](NS(=O)(=O)C1=C(Br)C=CS1)C1CC1	REAL300017619773	0	29	-1.0	-59.60	274.55	3.88	-55.72
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC2=C1COC2=O)C1CC1	REAL300017619774	0	36	-1.0	-43.54	313.81	4.51	-39.03
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C2=CC=CN=C2C=C1	REAL300017619775	0	40	-1.0	-45.67	321.10	5.26	-40.41
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C1CC1	REAL300017619776	0	34	-1.0	-40.70	313.52	3.58	-37.12
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C1CC1	REAL300017619777	0	40	-1.0	-55.64	328.92	4.13	-51.51
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C1CC1	REAL300017619778	0	31	-1.0	-49.40	293.49	4.13	-45.27
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C1CC1	REAL300017619779	0	34	-1.0	-49.00	299.15	5.75	-43.25
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C1CC1	REAL300017619780	0	34	-1.0	-38.61	313.41	5.77	-32.84
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619781	0	41	-1.0	-49.06	361.62	2.74	-46.32
CCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300017619782	0	37	-1.0	-55.18	328.38	4.74	-50.44
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C1CC1	REAL300017619783	0	34	-1.0	-53.62	308.72	5.78	-47.84
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O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C1CC1	REAL300017619786	0	34	-1.0	-44.67	315.61	6.44	-38.23
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1CC1	REAL300017619787	0	46	-1.0	-45.11	390.46	7.49	-37.62
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017619788	0	40	-1.0	-60.04	344.35	1.73	-58.31
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619789	0	40	-1.0	-50.91	343.31	5.52	-45.39
CCOC(=O)N1CCN(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CC1	REAL300017619790	0	45	-1.0	-55.37	362.10	2.94	-52.43
COC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C2=CC=C(Cl)N=C2C=C1	REAL300017619791	0	41	-1.0	-46.55	348.26	5.09	-41.46
O=C([O-])C[C@@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1CC1	REAL300017619792	0	42	-1.0	-47.20	366.89	5.79	-41.41
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CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619794	0	54	-1.0	-39.72	406.35	6.99	-32.73
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619795	0	40	-1.0	-47.44	353.13	0.96	-46.48
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CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1F	REAL300017619797	0	38	-1.0	-43.33	345.61	1.83	-41.50
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300017619798	0	45	-1.0	-45.97	368.78	6.74	-39.23
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619799	0	42	-1.0	-44.71	349.04	6.04	-38.67
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C1CC1	REAL300017619800	0	37	-1.0	-51.92	328.49	4.43	-47.49
O=C([O-])C[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C1CC1	REAL300017619801	0	39	-1.0	-46.98	341.52	5.34	-41.64
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C1CC1	REAL300017619802	0	34	-1.0	-39.21	324.92	5.41	-33.80
N#CC1=C(F)C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619803	0	33	-1.0	-45.73	291.36	4.86	-40.87
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619804	0	46	-1.0	-45.80	386.03	4.67	-41.13
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619805	0	48	-1.0	-43.40	395.04	6.80	-36.60
O=C([O-])C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1CC1	REAL300017619806	0	34	-1.0	-43.05	310.21	6.29	-36.76
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1F	REAL300017619807	0	38	-1.0	-44.23	339.83	4.96	-39.27
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C(Cl)C=C1Cl	REAL300017619808	0	38	-1.0	-39.77	340.92	6.04	-33.73
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619809	0	42	-1.0	-64.08	366.83	5.05	-59.03
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)S1	REAL300017619810	0	38	-1.0	-43.48	341.74	5.03	-38.45
COC(=O)C1=CSC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619811	0	35	-1.0	-43.87	317.70	4.40	-39.47
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619812	0	44	-1.0	-42.01	363.22	6.07	-35.94
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1Cl	REAL300017619813	0	38	-1.0	-43.23	347.82	5.32	-37.91
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1C	REAL300017619814	0	41	-1.0	-42.74	350.49	5.41	-37.33
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619815	0	38	-1.0	-61.20	331.14	5.41	-55.79
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C1CC1	REAL300017619816	0	42	-1.0	-42.22	331.51	6.72	-35.50
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C1CC1	REAL300017619817	0	38	-1.0	-46.96	326.52	6.03	-40.93
O=C([O-])C[C@@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C1CC1	REAL300017619818	0	31	-1.0	-38.54	285.39	3.41	-35.13
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C1CC1	REAL300017619819	0	36	-1.0	-39.63	335.59	5.69	-33.94
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C2COCC2=C1)C1CC1	REAL300017619820	0	37	-1.0	-44.06	309.81	3.86	-40.20
O=C([O-])C[C@@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C1CC1	REAL300017619821	0	37	-1.0	-39.44	319.78	0.07	-39.37
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)C=C2S1	REAL300017619822	0	46	-1.0	-44.98	384.75	6.29	-38.69
COC(=O)CC1(CS(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CC1	REAL300017619823	0	41	-1.0	-48.20	339.34	4.67	-43.53
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619824	0	37	-1.0	-46.73	332.56	4.21	-42.52
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C(F)C=C1F	REAL300017619825	0	35	-1.0	-51.50	303.09	5.46	-46.04
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619826	0	39	-1.0	-42.16	345.94	5.65	-36.51
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300017619827	0	44	-1.0	-44.40	359.70	6.16	-38.24
CCCCCCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(=O)NC1=O	REAL300017619828	0	50	-1.0	-44.45	402.55	5.12	-39.33
CC1=CN(C2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)C=C2F)N=C1	REAL300017619829	0	42	-1.0	-45.58	353.63	6.68	-38.90
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)S1	REAL300017619830	0	39	-1.0	-62.60	340.97	3.48	-59.12
CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619831	0	39	-1.0	-47.93	338.14	-1.14	-49.07
CC1=CC(F)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017619832	0	35	-1.0	-54.94	303.08	5.48	-49.46
CC1=CC(Cl)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017619833	0	37	-1.0	-56.93	327.58	6.53	-50.40
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CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)OC2=CC=C(F)C=C12	REAL300017619835	0	38	-1.0	-43.45	327.04	5.75	-37.70
O=C([O-])C[C@@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C1CC1	REAL300017619836	0	29	-1.0	-50.95	299.30	5.05	-45.90
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CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C2=CC(Cl)=CC=C2S1	REAL300017619839	0	38	-1.0	-43.17	338.25	6.88	-36.29
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CN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C(=O)NCC(F)(F)F	REAL300017619843	0	43	-1.0	-44.36	381.27	3.07	-41.29
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CN1C	REAL300017619844	0	42	-1.0	-48.47	355.54	5.38	-43.09
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)=CC=C2O1	REAL300017619845	0	46	-1.0	-47.19	382.52	6.89	-40.30
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CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619848	0	45	-1.0	-47.36	375.55	6.17	-41.19
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)SC2=CC=CC(F)=C12	REAL300017619849	0	38	-1.0	-41.47	317.42	6.55	-34.92
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CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1N(C)C	REAL300017619852	0	43	-1.0	-42.22	343.62	5.30	-36.92
CN1C(Cl)=NC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619853	0	32	-1.0	-41.38	293.47	3.08	-38.30
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619854	0	37	-1.0	-36.25	332.36	6.08	-30.17
CSC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017619855	0	36	-1.0	-43.69	335.72	5.74	-37.95
CN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)N=C1Cl	REAL300017619856	0	32	-1.0	-44.87	301.71	3.04	-41.83
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619857	0	35	-1.0	-54.61	319.71	4.76	-49.85
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CN(C)C1=CC=C(Br)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619859	0	40	-1.0	-56.35	339.11	5.85	-50.50
CC1=NN2C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)C=NC2=C1Cl	REAL300017619860	0	37	-1.0	-44.85	337.37	4.00	-40.85
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619861	0	38	-1.0	-43.78	336.73	6.21	-37.57
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619862	0	44	-1.0	-47.15	348.71	4.50	-42.65
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)C=C12	REAL300017619863	0	39	-1.0	-43.77	335.11	2.25	-41.52
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC([N+](=O)[O-])=C1F	REAL300017619864	0	37	-1.0	-38.97	322.05	5.97	-33.00
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C1CC1	REAL300017619865	0	38	-1.0	-42.37	347.37	7.12	-35.25
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619866	0	38	-1.0	-43.83	326.42	5.77	-38.06
O=C([O-])C[C@@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C1CC1	REAL300017619867	0	35	-1.0	-53.69	315.47	3.99	-49.70
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C1CC1	REAL300017619868	0	35	-1.0	-39.95	335.25	6.02	-33.93
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619869	0	40	-1.0	-49.20	361.08	2.78	-46.42
O=C([O-])C[C@@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C1CC1	REAL300017619870	0	31	-1.0	-49.04	288.91	4.08	-44.96
COC(=O)C1CCCCC1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619871	0	44	-1.0	-61.95	342.94	5.88	-56.07
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)C=C2)CC1	REAL300017619872	0	45	-1.0	-44.68	367.37	7.28	-37.40
O=C([O-])C[C@@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C1CC1	REAL300017619873	0	39	-1.0	-51.59	310.47	5.80	-45.79
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619874	0	36	-1.0	-42.56	336.92	5.69	-36.87
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C1CC1	REAL300017619875	0	38	-1.0	-40.95	348.88	2.31	-38.64
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619876	0	36	-1.0	-39.19	333.40	5.12	-34.07
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C1CC1	REAL300017619877	0	41	-1.0	-42.42	344.68	7.85	-34.57
CCC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C(C(=O)OC)O1	REAL300017619878	0	41	-1.0	-41.42	357.24	4.47	-36.95
O=C([O-])C[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C1CC1	REAL300017619879	0	49	-1.0	-59.60	391.97	6.29	-53.31
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(C)=C1F	REAL300017619880	0	39	-1.0	-45.14	326.19	4.34	-40.80
O=C([O-])C[C@@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C1CC1	REAL300017619881	0	52	-1.0	-57.44	385.90	5.94	-51.50
O=C([O-])C[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C1CC1	REAL300017619882	0	46	-1.0	-42.24	365.44	4.15	-38.09
O=C([O-])C[C@@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C1CC1	REAL300017619883	0	43	-1.0	-42.39	374.05	4.86	-37.53
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619884	0	40	-1.0	-43.08	348.21	6.37	-36.71
N#CC1(CS(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CCCCC1	REAL300017619885	0	42	-1.0	-43.22	333.07	5.12	-38.10
CC1(CS(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)CCCCC1	REAL300017619886	0	44	-1.0	-40.97	324.11	5.62	-35.35
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C1CC1	REAL300017619887	0	41	-1.0	-43.33	336.15	5.60	-37.73
O=C([O-])C[C@@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C1CC1	REAL300017619888	0	35	-1.0	-43.79	312.57	3.44	-40.35
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1F	REAL300017619889	0	36	-1.0	-42.65	316.23	3.65	-39.00
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619890	0	43	-1.0	-42.42	367.56	4.66	-37.76
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619891	0	46	-1.0	-42.39	394.50	5.81	-36.58
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619892	0	41	-1.0	-39.87	325.28	6.03	-33.84
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C1CC1	REAL300017619893	0	46	-1.0	-57.88	399.32	7.86	-50.02
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)=CC=C2O1	REAL300017619894	0	47	-1.0	-42.76	392.67	7.32	-35.44
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619895	0	44	-1.0	-41.53	364.15	6.47	-35.06
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C1CC1	REAL300017619896	0	32	-1.0	-49.22	305.55	5.84	-43.38
CC1=C(Cl)SC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619897	0	32	-1.0	-38.24	298.66	4.95	-33.29
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017619898	0	36	-1.0	-54.60	300.41	4.36	-50.24
CC1=CC=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1[N+](=O)[O-]	REAL300017619899	0	40	-1.0	-51.03	330.27	7.01	-44.02
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C1CC1	REAL300017619900	0	38	-1.0	-42.14	340.20	6.00	-36.14
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(C)=C1[N+](=O)[O-]	REAL300017619901	0	42	-1.0	-38.33	362.84	7.08	-31.25
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619902	0	40	-1.0	-46.64	346.84	2.45	-44.19
CN(C)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619903	0	40	-1.0	-45.85	332.78	4.67	-41.18
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1CC1	REAL300017619904	0	38	-1.0	-45.83	324.47	4.68	-41.15
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C1CC1	REAL300017619906	0	35	-1.0	-47.18	314.44	5.19	-41.99
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C1CC1	REAL300017619907	0	35	-1.0	-37.16	327.24	5.86	-31.30
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C1CC1	REAL300017619908	0	35	-1.0	-50.73	309.66	6.08	-44.65
CC1=CC(Br)=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619909	0	35	-1.0	-39.27	311.73	5.92	-33.35
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619910	0	43	-1.0	-43.39	344.33	2.09	-41.30
CSC1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619911	0	36	-1.0	-43.27	313.26	5.24	-38.03
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619912	0	43	-1.0	-45.84	349.19	3.77	-42.07
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C1CC1	REAL300017619913	0	44	-1.0	-49.00	365.76	4.57	-44.43
COC1=C(F)C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017619914	0	38	-1.0	-42.59	343.71	5.09	-37.50
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017619915	0	42	-1.0	-41.05	370.32	3.52	-37.53
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C1CC1	REAL300017619916	0	43	-1.0	-50.07	379.10	6.07	-44.00
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(OC)=C1	REAL300017619917	0	42	-1.0	-55.12	367.29	4.93	-50.19
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619918	0	35	-1.0	-36.35	317.61	5.52	-30.83
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300017619919	0	40	-1.0	-38.12	335.49	6.08	-32.04
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C1CC1	REAL300017619920	0	40	-1.0	-53.89	341.70	5.48	-48.41
O=C([O-])C[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C1CC1	REAL300017619921	0	38	-1.0	-65.75	306.70	0.71	-65.04
CN1C(=O)N(C)C2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)=CC=C21	REAL300017619922	0	42	-1.0	-44.79	360.47	5.17	-39.62
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C1CC1	REAL300017619923	0	37	-1.0	-41.77	317.28	4.83	-36.94
COC1=CC(F)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017619924	0	36	-1.0	-42.56	305.19	4.17	-38.39
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(C)=C1	REAL300017619925	0	42	-1.0	-42.62	343.05	5.23	-37.39
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619926	0	40	-1.0	-46.80	348.39	0.53	-46.27
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619927	0	41	-1.0	-46.44	341.65	6.16	-40.28
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C1CC1	REAL300017619928	0	36	-1.0	-44.56	316.16	4.73	-39.83
CSC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619929	0	36	-1.0	-43.69	319.40	5.25	-38.44
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619930	0	44	-1.0	-43.55	377.32	6.60	-36.95
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619931	0	42	-1.0	-49.51	356.24	3.94	-45.57
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300017619932	0	38	-1.0	-41.20	340.87	5.96	-35.24
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619933	0	43	-1.0	-41.34	348.51	6.31	-35.03
CCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)N=C1C	REAL300017619934	0	38	-1.0	-51.71	327.22	4.05	-47.66
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C1CC1	REAL300017619935	0	31	-1.0	-49.15	289.01	3.95	-45.20
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C1CC1	REAL300017619936	0	38	-1.0	-57.46	327.36	4.17	-53.29
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C1CC1	REAL300017619937	0	37	-1.0	-44.80	309.59	4.44	-40.36
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C1CC1	REAL300017619938	0	44	-1.0	-46.00	372.53	6.18	-39.82
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1F)C1CC1	REAL300017619939	0	32	-1.0	-55.31	280.78	5.27	-50.04
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C1CC1	REAL300017619940	0	32	-1.0	-54.72	297.67	5.37	-49.35
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300017619941	0	38	-1.0	-40.70	334.95	5.80	-34.90
O=C([O-])C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C1CC1	REAL300017619942	0	38	-1.0	-42.68	354.34	5.00	-37.68
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)C=C12	REAL300017619943	0	40	-1.0	-46.96	340.16	4.25	-42.71
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C1CC1	REAL300017619944	0	35	-1.0	-40.98	328.43	5.60	-35.38
CC1=NOC2=NC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)C=C12	REAL300017619945	0	36	-1.0	-46.30	311.56	1.29	-45.01
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C1CC1	REAL300017619946	0	41	-1.0	-43.35	360.76	7.06	-36.29
COCC1=CC=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619947	0	39	-1.0	-43.86	335.34	3.98	-39.88
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C1CC1	REAL300017619948	0	34	-1.0	-56.23	314.85	6.11	-50.12
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C(C(=O)OC)S1	REAL300017619949	0	41	-1.0	-43.82	368.34	5.30	-38.52
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619950	0	38	-1.0	-43.13	322.00	5.66	-37.47
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C1CC1	REAL300017619951	0	35	-1.0	-45.13	315.21	5.40	-39.73
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C1CC1	REAL300017619952	0	44	-1.0	-55.54	375.80	2.73	-52.81
O=C([O-])C[C@@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C1CC1	REAL300017619953	0	39	-1.0	-40.12	347.81	4.74	-35.38
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C1CC1	REAL300017619954	0	32	-1.0	-53.86	304.73	5.91	-47.95
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)=CN=C21	REAL300017619955	0	40	-1.0	-41.68	341.17	1.80	-39.88
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1F	REAL300017619988	0	41	-1.0	-44.50	361.70	5.87	-38.63
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1CC1	REAL300017619989	0	40	-1.0	-50.04	338.89	4.97	-45.07
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C1CC1	REAL300017619990	0	32	-1.0	-54.55	289.84	5.36	-49.19
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619991	0	51	-1.0	-52.57	405.34	8.03	-44.54
O=C([O-])C[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C1CC1	REAL300017619992	0	35	-1.0	-45.52	328.72	5.86	-39.66
N#CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(Cl)=C1	REAL300017619993	0	33	-1.0	-51.62	296.50	5.80	-45.82
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017619994	0	39	-1.0	-56.67	341.28	4.56	-52.11
CC1CC2=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C3CC3)=CC=C2O1	REAL300017619995	0	40	-1.0	-45.03	337.17	4.85	-40.18
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017619996	0	36	-1.0	-53.27	322.38	5.30	-47.97
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619997	0	44	-1.0	-40.27	325.69	7.08	-33.19
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619998	0	44	-1.0	-39.83	364.35	3.09	-36.74
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CS1	REAL300017619999	0	35	-1.0	-46.20	327.74	3.94	-42.26
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017620000	0	41	-1.0	-42.13	358.68	6.64	-35.49
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017626406	0	35	-1.0	-46.69	313.87	2.83	-43.86
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017626407	0	35	-1.0	-39.14	337.12	3.44	-35.70
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017626408	0	35	-1.0	-40.53	319.33	2.87	-37.66
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300017626409	0	35	-1.0	-43.11	324.04	3.19	-39.92
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300017626410	0	43	-1.0	-52.90	351.75	0.83	-52.07
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1SC	REAL300017626411	0	36	-1.0	-59.71	318.33	3.90	-55.81
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300017626412	0	43	-1.0	-58.89	357.39	1.79	-57.10
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017626413	0	44	-1.0	-41.92	367.00	1.78	-40.14
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1	REAL300017626414	0	38	-1.0	-44.02	345.18	2.76	-41.26
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300017626415	0	42	-1.0	-46.90	373.00	1.35	-45.55
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300017626416	0	42	-1.0	-46.36	358.04	2.75	-43.61
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(F)C=C1C	REAL300017626417	0	35	-1.0	-51.88	324.03	4.35	-47.53
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300017626418	0	40	-1.0	-58.93	341.73	4.77	-54.16
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017626419	0	40	-1.0	-54.88	343.76	3.19	-51.69
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017626420	0	38	-1.0	-54.53	321.83	-0.59	-55.12
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300017626421	0	42	-1.0	-45.53	361.95	2.85	-42.68
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017626422	0	37	-1.0	-48.25	329.98	2.10	-46.15
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300017626423	0	36	-1.0	-45.20	319.11	1.50	-43.70
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C(C)=C1	REAL300017626424	0	42	-1.0	-54.39	348.91	3.77	-50.62
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626425	0	40	-1.0	-48.03	358.30	-1.88	-49.91
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O	REAL300017626426	0	34	-1.0	-55.79	307.03	-2.84	-58.63
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC	REAL300017626427	0	41	-1.0	-60.87	338.66	4.90	-55.97
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017626428	0	36	-1.0	-47.32	313.37	2.36	-44.96
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC)C=C1	REAL300017626429	0	36	-1.0	-44.34	321.55	2.94	-41.40
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1	REAL300017626430	0	44	-1.0	-43.01	379.82	4.32	-38.69
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1	REAL300017626431	0	42	-1.0	-50.25	358.02	1.62	-48.63
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017626432	0	38	-1.0	-42.22	342.33	3.65	-38.57
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300017626433	0	43	-1.0	-55.97	355.43	4.45	-51.52
CCN1C=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])N=C1C	REAL300017626434	0	38	-1.0	-49.03	327.98	1.69	-47.34
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017626435	0	31	-1.0	-49.77	308.58	1.85	-47.92
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017626436	0	38	-1.0	-58.69	325.56	2.40	-56.29
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017626437	0	37	-1.0	-55.88	318.34	3.30	-52.58
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017626438	0	44	-1.0	-46.79	373.84	3.91	-42.88
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1F	REAL300017626439	0	32	-1.0	-44.02	286.47	1.97	-42.05
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017626440	0	32	-1.0	-41.63	301.87	2.49	-39.14
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300017626441	0	38	-1.0	-44.50	336.11	3.49	-41.01
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017626442	0	38	-1.0	-47.35	355.30	2.77	-44.58
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300017626443	0	40	-1.0	-48.31	348.03	1.62	-46.69
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017626444	0	35	-1.0	-44.42	330.49	3.31	-41.11
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300017626445	0	36	-1.0	-44.68	321.48	-1.07	-45.75
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017626446	0	41	-1.0	-44.10	363.25	4.77	-39.33
COCC1=CC=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626447	0	39	-1.0	-44.86	336.75	1.67	-43.19
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017626448	0	34	-1.0	-55.30	326.94	4.21	-51.09
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1	REAL300017626449	0	41	-1.0	-60.97	377.47	4.00	-56.97
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC	REAL300017626450	0	38	-1.0	-60.93	332.11	4.31	-56.62
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017626451	0	35	-1.0	-46.30	317.25	3.12	-43.18
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017626452	0	44	-1.0	-55.78	378.34	0.43	-55.35
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017626453	0	39	-1.0	-41.48	349.30	2.43	-39.05
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017626454	0	32	-1.0	-53.63	316.66	4.01	-49.62
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017626455	0	40	-1.0	-44.78	351.41	-0.67	-45.45
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=CC=C1F	REAL300017626485	0	41	-1.0	-42.99	362.86	3.57	-39.42
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017626486	0	40	-1.0	-50.53	335.26	2.76	-47.77
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017626487	0	32	-1.0	-54.21	301.77	3.45	-50.76
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300017626488	0	51	-1.0	-52.79	406.09	5.19	-47.60
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017626489	0	35	-1.0	-46.45	330.46	3.53	-42.92
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017626490	0	33	-1.0	-52.36	316.17	3.73	-48.63
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300017626491	0	39	-1.0	-56.88	360.02	1.64	-55.24
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300017626492	0	40	-1.0	-45.99	338.64	2.53	-43.46
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl	REAL300017626493	0	36	-1.0	-53.55	340.87	3.24	-50.31
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300017626494	0	44	-1.0	-52.90	337.90	6.09	-46.81
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300017626495	0	44	-1.0	-57.61	365.66	1.54	-56.07
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300017626496	0	35	-1.0	-42.50	329.21	1.67	-40.83
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC	REAL300017626497	0	41	-1.0	-60.68	364.39	5.24	-55.44
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017626498	0	43	-1.0	-45.21	387.27	5.30	-39.91
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017626499	0	38	-1.0	-50.68	348.90	2.70	-47.98
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017626500	0	38	-1.0	-47.28	365.62	3.22	-44.06
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300017626501	0	41	-1.0	-55.74	346.25	4.07	-51.67
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017626502	0	34	-1.0	-38.76	330.84	3.21	-35.55
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300017626503	0	44	-1.0	-45.53	359.41	2.50	-43.03
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])CC1	REAL300017626504	0	46	-1.0	-52.19	373.12	2.93	-49.26
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300017626505	0	41	-1.0	-50.89	358.07	1.01	-49.88
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017626506	0	31	-1.0	-40.45	308.81	0.98	-39.47
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017626507	0	35	-1.0	-47.61	312.58	2.42	-45.19
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017626508	0	35	-1.0	-47.02	307.75	0.58	-46.44
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCN12	REAL300017626509	0	36	-1.0	-52.48	299.80	1.08	-51.40
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017626510	0	40	-1.0	-45.00	335.39	2.58	-42.42
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300017626511	0	36	-1.0	-57.09	324.88	2.63	-54.46
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21	REAL300017626512	0	41	-1.0	-49.43	359.83	4.84	-44.59
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1	REAL300017626513	0	41	-1.0	-47.12	358.31	3.37	-43.75
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017626514	0	39	-1.0	-43.39	316.65	3.59	-39.80
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300017626515	0	42	-1.0	-49.46	364.17	3.71	-45.75
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017626516	0	47	-1.0	-45.41	399.69	3.12	-42.29
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300017626517	0	34	-1.0	-43.99	320.01	2.32	-41.67
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300017626518	0	43	-1.0	-55.04	360.49	2.98	-52.06
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017626519	0	32	-1.0	-53.40	313.58	3.95	-49.45
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017626520	0	32	-1.0	-39.19	317.81	3.03	-36.16
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300017626521	0	42	-1.0	-46.14	345.78	3.73	-42.41
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300017626522	0	36	-1.0	-41.21	321.70	2.83	-38.38
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300017626523	0	38	-1.0	-42.99	340.98	2.64	-40.35
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300017626524	0	36	-1.0	-44.97	320.30	2.60	-42.37
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC=C1C	REAL300017626525	0	39	-1.0	-58.40	327.08	2.84	-55.56
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017626526	0	33	-1.0	-38.74	322.15	2.85	-35.89
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300017626527	0	39	-1.0	-55.96	342.52	3.53	-52.43
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1	REAL300017626528	0	38	-1.0	-43.72	349.84	3.76	-39.96
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1	REAL300017626529	0	39	-1.0	-46.44	344.11	0.97	-45.47
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300017626530	0	40	-1.0	-54.38	354.06	2.59	-51.79
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017626531	0	36	-1.0	-44.50	327.15	1.60	-42.90
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017626532	0	35	-1.0	-42.14	326.01	3.01	-39.13
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1C	REAL300017626533	0	43	-1.0	-45.80	372.99	-0.99	-46.79
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017626534	0	36	-1.0	-44.44	323.92	3.09	-41.35
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1Br	REAL300017626535	0	36	-1.0	-53.90	328.23	2.80	-51.10
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017626536	0	37	-1.0	-53.63	338.59	-2.49	-56.12
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300017626537	0	38	-1.0	-55.22	323.60	2.20	-53.02
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300017626538	0	38	-1.0	-45.46	325.66	3.31	-42.15
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017626539	0	32	-1.0	-50.89	313.74	3.18	-47.71
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300017626540	0	38	-1.0	-41.98	313.01	3.49	-38.49
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017626541	0	32	-1.0	-53.40	315.45	4.07	-49.33
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2	REAL300017626542	0	42	-1.0	-47.91	354.34	-0.69	-48.60
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)S1	REAL300017626543	0	30	-1.0	-38.98	294.80	1.53	-37.45
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017626544	0	33	-1.0	-46.84	299.39	0.44	-46.40
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(OC)=C1	REAL300017626545	0	35	-1.0	-44.86	306.31	-0.57	-45.43
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017626546	0	32	-1.0	-43.00	300.77	2.52	-40.48
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300017626547	0	42	-1.0	-45.80	363.73	2.67	-43.13
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017626548	0	36	-1.0	-48.07	332.56	-0.79	-48.86
CCOC1=CC=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626549	0	39	-1.0	-47.31	333.04	2.19	-45.12
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017626550	0	43	-1.0	-52.73	349.57	3.59	-49.14
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017626551	0	36	-1.0	-42.69	338.34	3.15	-39.54
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017626588	0	33	-1.0	-58.09	316.81	3.42	-54.67
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300017626589	0	36	-1.0	-57.44	318.41	3.91	-53.53
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1	REAL300017626590	0	46	-1.0	-46.99	379.75	2.09	-44.90
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300017626591	0	40	-1.0	-46.61	355.50	3.06	-43.55
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300017626592	0	37	-1.0	-42.19	324.68	3.13	-39.06
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC=C1Br	REAL300017626593	0	35	-1.0	-55.70	320.15	4.21	-51.49
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300017626594	0	35	-1.0	-48.35	322.61	0.77	-47.58
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300017626595	0	43	-1.0	-51.22	370.24	2.68	-48.54
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017626596	0	34	-1.0	-47.14	313.74	1.41	-45.73
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300017626597	0	42	-1.0	-51.90	348.40	2.18	-49.72
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CS1	REAL300017626598	0	33	-1.0	-51.89	293.45	1.29	-50.60
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300017626599	0	42	-1.0	-59.00	355.52	1.77	-57.23
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCC(F)(F)F	REAL300017626600	0	34	-1.0	-40.12	304.52	1.55	-38.57
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017626601	0	37	-1.0	-46.31	326.29	2.06	-44.25
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017626602	0	38	-1.0	-58.43	328.53	0.46	-57.97
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017626603	0	44	-1.0	-48.62	355.46	2.48	-46.14
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017626604	0	34	-1.0	-40.30	317.25	1.22	-39.08
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300017626605	0	35	-1.0	-55.28	318.68	3.26	-52.02
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300017626606	0	40	-1.0	-49.95	334.93	2.49	-47.46
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300017626607	0	34	-1.0	-44.12	312.40	1.12	-43.00
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017626608	0	38	-1.0	-45.44	333.00	1.02	-44.42
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017626609	0	31	-1.0	-38.71	303.11	1.77	-36.94
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017626610	0	41	-1.0	-43.31	355.28	3.68	-39.63
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300017626611	0	36	-1.0	-60.79	319.52	3.61	-57.18
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300017626612	0	40	-1.0	-47.38	340.67	0.56	-46.82
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017626613	0	33	-1.0	-56.04	316.19	3.73	-52.31
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017626614	0	38	-1.0	-53.95	329.53	3.28	-50.67
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300017626615	0	40	-1.0	-49.49	335.91	3.77	-45.72
CCC1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1CC	REAL300017626616	0	44	-1.0	-44.78	358.87	4.50	-40.28
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300017626617	0	40	-1.0	-41.69	334.89	4.08	-37.61
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300017626618	0	35	-1.0	-56.36	314.12	3.96	-52.40
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1	REAL300017626619	0	38	-1.0	-55.90	340.22	2.37	-53.53
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C)S1	REAL300017626620	0	35	-1.0	-43.49	314.50	2.39	-41.10
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC=C1F	REAL300017626621	0	35	-1.0	-42.68	301.60	2.90	-39.78
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017626622	0	33	-1.0	-51.02	304.41	0.59	-50.43
CCC1=NC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])S1	REAL300017626623	0	34	-1.0	-44.09	312.30	0.57	-43.52
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017626624	0	38	-1.0	-63.70	329.01	4.70	-59.00
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSN=C1C(=O)OC	REAL300017626625	0	34	-1.0	-57.74	314.03	1.61	-56.13
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300017626626	1	34	-1.0	-50.00	316.14	0.27	-49.73
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300017626627	0	38	-1.0	-42.47	328.74	3.26	-39.21
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017626628	0	40	-1.0	-50.44	341.31	0.40	-50.04
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017626629	0	43	-1.0	-44.34	344.28	0.39	-43.95
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1	REAL300017626630	0	39	-1.0	-52.34	343.51	2.08	-50.26
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017626631	0	31	-1.0	-40.76	293.49	0.65	-40.11
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C)=C1F	REAL300017626632	0	35	-1.0	-44.85	300.92	2.50	-42.35
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300017626633	0	43	-1.0	-46.54	363.95	3.77	-42.77
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017626634	0	35	-1.0	-43.56	325.91	3.19	-40.37
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017626635	0	35	-1.0	-40.10	326.21	3.21	-36.89
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017626636	0	32	-1.0	-43.37	298.01	2.76	-40.61
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300017626637	0	35	-1.0	-44.04	309.15	2.65	-41.39
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1	REAL300017626638	0	35	-1.0	-44.29	322.57	-0.14	-44.43
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017626639	0	36	-1.0	-45.00	330.06	3.06	-41.94
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1	REAL300017626640	0	37	-1.0	-45.11	332.48	0.72	-44.39
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017626641	0	31	-1.0	-41.48	298.32	1.33	-40.15
COCC1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1	REAL300017626642	0	39	-1.0	-44.05	336.43	1.65	-42.40
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300017626643	0	37	-1.0	-43.25	324.10	2.49	-40.76
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1	REAL300017626644	0	38	-1.0	-42.47	352.83	3.07	-39.40
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017626645	0	35	-1.0	-54.73	327.06	0.90	-53.83
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=N1	REAL300017626646	0	38	-1.0	-42.98	330.76	-0.43	-43.41
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017626647	0	41	-1.0	-54.60	366.75	0.13	-54.47
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1	REAL300017626648	0	39	-1.0	-46.99	342.50	1.02	-45.97
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1	REAL300017626649	0	46	-1.0	-55.64	374.62	3.52	-52.12
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017626650	0	35	-1.0	-58.09	309.21	1.40	-56.69
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300017626651	0	38	-1.0	-51.56	336.39	4.53	-47.03
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300017626652	0	42	-1.0	-57.62	364.31	-0.39	-58.01
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1	REAL300017626653	0	49	-1.0	-49.28	394.01	3.86	-45.42
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1	REAL300017626654	0	41	-1.0	-41.97	366.60	3.42	-38.55
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300017626655	0	41	-1.0	-55.75	355.59	5.31	-50.44
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017626656	0	35	-1.0	-53.97	320.73	3.45	-50.52
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017626657	0	35	-1.0	-54.57	319.48	4.83	-49.74
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626658	0	46	-1.0	-55.78	393.24	0.13	-55.65
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626659	0	45	-1.0	-50.18	380.13	3.69	-46.49
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=CC=C1C	REAL300017626660	0	44	-1.0	-46.05	373.17	4.05	-42.00
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626661	0	44	-1.0	-46.68	380.53	4.28	-42.40
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1OC	REAL300017626662	0	43	-1.0	-46.24	366.87	1.92	-44.32
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C(F)C=C1C	REAL300017626663	0	44	-1.0	-43.84	373.34	4.09	-39.75
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017626664	0	38	-1.0	-43.31	341.53	3.92	-39.39
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626665	0	41	-1.0	-45.91	357.20	3.44	-42.47
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017626666	0	42	-1.0	-47.74	355.88	5.38	-42.36
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1	REAL300017626667	0	46	-1.0	-48.93	400.86	-0.28	-49.21
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300017626668	0	35	-1.0	-45.94	320.49	3.23	-42.71
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=CN1C	REAL300017626669	0	44	-1.0	-49.98	384.35	3.20	-46.78
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017626670	0	36	-1.0	-44.34	327.86	2.85	-41.49
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017626671	0	35	-1.0	-44.71	313.89	2.79	-41.92
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300017626672	0	34	-1.0	-50.04	309.77	2.19	-47.85
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300017626673	0	35	-1.0	-51.15	320.97	1.29	-49.86
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017626674	0	33	-1.0	-42.42	305.12	0.82	-41.60
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC(C)(C)C(=O)OC	REAL300017626675	0	40	-1.0	-47.43	328.64	1.85	-45.58
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626676	0	45	-1.0	-57.93	375.21	2.83	-55.10
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F	REAL300017626677	0	38	-1.0	-53.90	342.83	3.49	-50.41
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC	REAL300017626678	0	43	-1.0	-52.66	375.15	1.65	-51.01
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1	REAL300017626679	0	47	-1.0	-47.28	393.42	4.74	-42.54
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C)C=C1	REAL300017626680	0	38	-1.0	-44.53	324.71	3.31	-41.22
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1	REAL300017626681	0	44	-1.0	-52.58	385.02	1.14	-51.44
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C(=O)OC)CCCC1	REAL300017626682	0	44	-1.0	-41.99	349.59	3.58	-38.41
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626683	0	39	-1.0	-42.99	353.13	2.14	-40.85
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300017626684	0	38	-1.0	-41.19	336.11	3.48	-37.71
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017626685	0	43	-1.0	-43.41	386.80	5.32	-38.09
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1	REAL300017626686	0	41	-1.0	-46.77	358.64	3.40	-43.37
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300017626687	0	42	-1.0	-42.71	328.46	3.32	-39.39
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300017626688	0	38	-1.0	-43.53	340.99	3.86	-39.67
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C(=O)OC)CCC1	REAL300017626689	0	41	-1.0	-42.10	338.72	2.88	-39.22
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017626690	0	32	-1.0	-39.13	314.37	2.18	-36.95
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626691	0	45	-1.0	-48.43	391.17	2.28	-46.15
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626692	0	48	-1.0	-48.43	413.03	3.21	-45.22
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1(C(=O)OC)CCCCC1	REAL300017626693	0	47	-1.0	-42.07	360.08	4.08	-37.99
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F	REAL300017626694	0	40	-1.0	-47.94	351.26	2.93	-45.01
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017626695	1	34	-1.0	-50.71	309.88	0.81	-49.90
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017626696	0	36	-1.0	-57.49	318.00	1.98	-55.51
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300017626697	0	45	-1.0	-52.02	381.47	5.79	-46.23
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017626698	0	35	-1.0	-46.14	325.90	3.22	-42.92
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C	REAL300017626699	0	42	-1.0	-41.81	354.25	4.26	-37.55
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC(C)(C)C1CC1	REAL300017626700	0	44	-1.0	-41.59	343.82	3.37	-38.22
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017626701	0	36	-1.0	-44.98	329.91	3.66	-41.32
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCC(C)(F)F	REAL300017626702	0	37	-1.0	-41.95	319.01	2.08	-39.87
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCCC1=CC=CC=C1	REAL300017626703	0	41	-1.0	-42.58	346.30	4.19	-38.39
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300017626705	0	36	-1.0	-58.83	324.26	-1.62	-60.45
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300017626709	0	41	-1.0	-44.28	326.97	4.56	-39.72
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017626710	0	41	-1.0	-46.63	342.18	2.66	-43.97
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)F	REAL300017626711	0	32	-1.0	-40.04	289.26	2.14	-37.90
COC[C@@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017626712	0	38	-1.0	-44.03	331.21	3.48	-40.55
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300017626713	0	48	-1.0	-45.55	394.85	4.67	-40.88
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017626714	0	37	-1.0	-59.17	318.45	3.37	-55.80
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O	REAL300017626715	0	52	-1.0	-58.69	408.44	4.39	-54.30
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=CN1C	REAL300017626716	0	39	-1.0	-44.96	344.89	2.32	-42.64
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017626717	0	46	-1.0	-44.29	377.25	2.03	-42.26
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017626718	0	47	-1.0	-61.94	392.37	4.59	-57.35
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C21	REAL300017626719	0	46	-1.0	-54.99	382.52	3.86	-51.13
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017626720	0	39	-1.0	-45.55	332.21	1.62	-43.93
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300017626721	0	39	-1.0	-45.42	324.65	1.51	-43.91
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017626722	0	42	-1.0	-43.58	344.51	2.68	-40.90
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017626730	0	38	-1.0	-47.13	349.46	2.87	-44.26
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017626731	0	38	-1.0	-46.71	332.39	-0.81	-47.52
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CO1	REAL300017626732	1	29	-1.0	-43.39	283.70	0.77	-42.62
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCCN12	REAL300017626733	0	39	-1.0	-50.63	316.10	1.67	-48.96
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300017626734	0	36	-1.0	-42.63	327.22	1.47	-41.16
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(OC)C=C1F	REAL300017626735	0	36	-1.0	-43.09	316.27	1.25	-41.84
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300017626736	0	48	-1.0	-56.51	383.31	4.66	-51.85
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300017626737	0	42	-1.0	-59.02	356.38	4.06	-54.96
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC=C1C	REAL300017626738	0	35	-1.0	-42.01	300.70	2.51	-39.50
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300017626739	0	40	-1.0	-51.06	328.38	2.87	-48.19
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300017626740	0	40	-1.0	-45.12	350.94	1.64	-43.48
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300017626741	0	40	-1.0	-46.38	348.91	4.18	-42.20
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300017626742	0	36	-1.0	-46.11	317.11	2.58	-43.53
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC(C)=C1Br	REAL300017626743	0	35	-1.0	-40.43	324.91	3.30	-37.13
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C	REAL300017626744	0	49	-1.0	-57.29	390.95	4.00	-53.29
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017626745	0	38	-1.0	-47.58	332.05	2.47	-45.11
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C	REAL300017626746	0	46	-1.0	-60.02	380.57	3.56	-56.46
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC=C1Cl	REAL300017626747	0	29	-1.0	-53.50	288.47	2.19	-51.31
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=NN1C	REAL300017626748	0	32	-1.0	-41.93	305.44	0.19	-41.74
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017626749	0	34	-1.0	-40.95	315.65	1.07	-39.88
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300017626750	0	37	-1.0	-55.65	324.20	1.53	-54.12
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017626751	0	41	-1.0	-54.89	327.76	2.77	-52.12
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017626752	0	36	-1.0	-55.27	337.84	3.35	-51.92
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017626753	0	33	-1.0	-39.86	296.43	0.75	-39.11
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017626754	0	35	-1.0	-45.31	321.21	3.45	-41.86
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017626755	0	36	-1.0	-54.87	337.34	3.37	-51.50
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017626756	0	35	-1.0	-51.07	326.35	1.62	-49.45
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300017626757	0	39	-1.0	-46.84	329.60	1.53	-45.31
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300017626758	0	41	-1.0	-41.21	333.25	4.18	-37.03
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300017626759	0	40	-1.0	-46.32	328.75	1.95	-44.37
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017626760	0	41	-1.0	-49.14	350.00	-0.83	-49.97
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300017626761	0	33	-1.0	-38.56	322.19	2.85	-35.71
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300017626762	0	35	-1.0	-47.13	304.75	1.95	-45.18
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC(OC)=C1OC	REAL300017626763	0	40	-1.0	-49.04	340.12	2.25	-46.79
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300017626764	0	45	-1.0	-55.13	366.04	3.41	-51.72
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300017626765	0	36	-1.0	-46.99	331.43	3.82	-43.17
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300017626766	0	39	-1.0	-55.59	337.27	2.67	-52.92
COC[C@@H](CC(=O)[O-])NC(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017626767	0	34	-1.0	-48.54	320.35	6.13	-42.41
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017626768	0	36	-1.0	-45.42	320.95	1.50	-43.92
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017626769	0	36	-1.0	-57.84	338.01	3.37	-54.47
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017626770	0	35	-1.0	-48.23	308.47	1.19	-47.04
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300017626771	0	37	-1.0	-52.11	319.43	0.44	-51.67
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300017626773	0	38	-1.0	-54.78	338.53	4.67	-50.11
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCC(C)(C)C1	REAL300017626774	0	43	-1.0	-41.93	335.66	2.60	-39.33
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017626775	0	38	-1.0	-42.28	348.62	3.06	-39.22
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017626776	0	35	-1.0	-53.36	317.84	2.40	-50.96
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300017626777	0	42	-1.0	-55.34	351.97	3.06	-52.28
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300017626778	0	50	-1.0	-57.89	389.01	6.60	-51.29
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017626779	0	38	-1.0	-43.59	352.90	3.84	-39.75
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC=C1	REAL300017626780	0	29	-1.0	-41.15	280.25	1.33	-39.82
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017626781	0	42	-1.0	-49.94	356.41	2.58	-47.36
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017626782	0	36	-1.0	-48.92	307.38	3.92	-45.00
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017626783	0	43	-1.0	-44.87	373.93	5.12	-39.75
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300017626784	0	45	-1.0	-55.07	371.50	0.33	-54.74
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300017626785	0	41	-1.0	-56.74	345.47	3.14	-53.60
CCCC1=CC=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626786	0	41	-1.0	-44.12	346.08	4.17	-39.95
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=NN1C	REAL300017626787	0	38	-1.0	-44.26	339.77	0.43	-43.83
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300017626788	0	33	-1.0	-57.91	306.77	3.17	-54.74
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COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017626800	0	32	-1.0	-38.55	313.66	2.11	-36.44
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(F)(F)CC1	REAL300017626801	0	37	-1.0	-52.55	304.45	1.69	-50.86
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COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C)=C1C	REAL300017626803	0	38	-1.0	-56.25	314.67	4.07	-52.18
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017626804	0	35	-1.0	-62.76	300.84	4.17	-58.59
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626805	0	43	-1.0	-52.42	366.26	4.00	-48.42
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017626806	0	43	-1.0	-44.73	351.30	5.03	-39.70
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COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017626808	0	38	-1.0	-42.93	342.77	2.96	-39.97
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017626809	0	38	-1.0	-44.34	323.91	2.66	-41.68
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COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017626811	0	41	-1.0	-57.70	355.80	1.88	-55.82
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017626812	0	32	-1.0	-55.06	302.41	3.08	-51.98
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COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017626815	0	35	-1.0	-54.88	309.13	4.38	-50.50
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)OC)=C(C)S1	REAL300017626816	0	38	-1.0	-43.99	346.76	2.31	-41.68
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017626817	0	39	-1.0	-44.54	329.79	3.97	-40.57
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017626818	0	42	-1.0	-45.47	342.77	2.25	-43.22
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H](COC)CC(=O)[O-]	REAL300017626819	0	41	-1.0	-43.54	340.52	1.78	-41.76
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1	REAL300017626820	0	41	-1.0	-51.18	352.62	-0.55	-51.73
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COC[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)C1CCCCCC1	REAL300017626822	0	46	-1.0	-55.30	349.81	3.67	-51.63
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(F)C=C1OC	REAL300017626823	0	36	-1.0	-43.34	316.08	2.19	-41.15
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300017626824	0	46	-1.0	-55.42	376.23	1.78	-53.64
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300017626825	0	38	-1.0	-47.18	334.90	3.48	-43.70
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017626826	0	36	-1.0	-46.81	320.97	1.50	-45.31
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017626827	0	47	-1.0	-42.21	376.34	4.83	-37.38
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)S1	REAL300017626828	0	33	-1.0	-42.98	305.04	0.49	-42.49
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300017626829	0	43	-1.0	-50.48	353.03	4.25	-46.23
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017626830	0	40	-1.0	-39.44	337.21	2.30	-37.14
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CCF)N=C1	REAL300017626831	0	35	-1.0	-45.62	315.01	0.64	-44.98
CCOCC1=CC=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626832	0	42	-1.0	-44.98	358.61	2.65	-42.33
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300017626835	0	42	-1.0	-47.53	363.16	3.28	-44.25
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017626836	0	45	-1.0	-45.66	368.91	2.87	-42.79
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017626837	0	43	-1.0	-45.49	370.93	4.81	-40.68
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CF	REAL300017626838	0	35	-1.0	-56.08	299.55	3.80	-52.28
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300017626839	0	38	-1.0	-42.52	339.41	3.67	-38.85
CCN1N=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1Cl	REAL300017626840	0	35	-1.0	-52.99	324.38	1.68	-51.31
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017626841	0	36	-1.0	-44.92	333.93	3.75	-41.17
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1	REAL300017626842	0	38	-1.0	-43.41	367.47	3.20	-40.21
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017626844	0	34	-1.0	-42.79	316.09	1.02	-41.77
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017626845	0	37	-1.0	-48.46	338.02	3.13	-45.33
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017626846	0	37	-1.0	-60.04	335.39	3.81	-56.23
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300017626847	0	41	-1.0	-59.22	340.94	5.72	-53.50
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017626848	0	39	-1.0	-46.01	339.29	2.29	-43.72
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300017626849	0	46	-1.0	-44.98	385.93	3.42	-41.56
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017626850	0	32	-1.0	-40.77	302.46	2.41	-38.36
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1	REAL300017626851	0	38	-1.0	-60.06	345.99	-1.68	-61.74
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COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017626853	0	38	-1.0	-44.39	347.43	0.38	-44.01
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017626854	0	36	-1.0	-42.81	322.08	3.30	-39.51
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017626855	0	36	-1.0	-42.56	336.96	3.84	-38.72
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017626856	0	36	-1.0	-42.58	336.96	3.86	-38.72
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017626857	0	36	-1.0	-43.27	326.08	3.34	-39.93
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N1CCCCC1C(=O)OC	REAL300017626858	0	43	-1.0	-43.67	336.16	2.80	-40.87
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300017626859	0	54	-1.0	-45.94	411.48	6.12	-39.82
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300017626860	0	35	-1.0	-39.93	327.11	2.76	-37.17
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300017626861	0	43	-1.0	-43.89	351.86	2.91	-40.98
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C=CC(=O)OC)C=C1	REAL300017626862	0	42	-1.0	-45.38	368.00	3.83	-41.55
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=NN1	REAL300017626863	0	38	-1.0	-44.90	336.83	0.32	-44.58
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300017626864	0	37	-1.0	-48.58	324.95	0.90	-47.68
COC[C@@H](CC(=O)[O-])NC(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300017626865	0	49	-1.0	-52.89	350.84	6.65	-46.24
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017626866	0	44	-1.0	-55.05	339.96	3.20	-51.85
COC[C@@H](CC(=O)[O-])NS(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300017626867	0	43	-1.0	-56.00	359.47	4.45	-51.55
COC[C@@H](CC(=O)[O-])NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017626868	0	43	-1.0	-61.04	355.07	9.45	-51.59
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COC[C@@H](CC(=O)[O-])NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	REAL300017626870	0	50	-1.0	-57.00	380.69	5.54	-51.46
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COC[C@@H](CC(=O)[O-])NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300017626873	0	51	-1.0	-53.74	398.72	5.22	-48.52
COC[C@@H](CC(=O)[O-])NC(=O)N1CCOC(C(=O)OC)C1	REAL300017626874	0	40	-1.0	-53.88	328.90	3.08	-50.80
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017626875	0	36	-1.0	-42.74	315.19	2.70	-40.04
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017626876	0	36	-1.0	-44.14	327.16	1.61	-42.53
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300017626877	0	38	-1.0	-47.84	326.42	2.09	-45.75
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COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017626880	0	35	-1.0	-42.23	304.74	3.43	-38.80
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017626881	0	41	-1.0	-42.55	360.19	2.42	-40.13
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017626882	0	29	-1.0	-38.65	307.34	2.12	-36.53
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COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300017626884	0	45	-1.0	-52.10	372.05	4.23	-47.87
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COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300017626890	0	38	-1.0	-63.62	318.20	4.72	-58.90
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017626891	0	37	-1.0	-46.10	336.20	0.50	-45.60
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017626892	0	33	-1.0	-44.64	315.82	0.94	-43.70
COC[C@@H](CC(=O)[O-])NC(=O)N1CCCC(OC(C)=O)C1	REAL300017626893	0	42	-1.0	-69.24	333.75	5.66	-63.58
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O=C([O-])C[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1=CC=CC=C1	REAL300017626996	0	35	-1.0	-49.33	305.32	5.65	-43.68
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CCOC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=C1	REAL300017626999	0	39	-1.0	-47.27	330.98	5.06	-42.21
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CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300017634858	0	38	-1.0	-60.44	317.56	6.23	-54.21
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1	REAL300017634859	0	40	-1.0	-47.74	340.51	5.82	-41.92
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017634860	0	46	-1.0	-58.83	355.36	7.31	-51.52
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017634861	0	52	-1.0	-44.25	362.82	6.72	-37.53
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300017634862	0	42	-1.0	-70.49	340.33	6.93	-63.56
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017634863	0	42	-1.0	-64.18	349.38	7.44	-56.74
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017634864	0	45	-1.0	-53.57	356.24	3.82	-49.75
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300017634865	0	48	-1.0	-47.63	398.59	6.55	-41.08
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CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C#N)SC=C1	REAL300017634868	0	32	-1.0	-42.13	273.51	4.89	-37.24
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1CCC(F)CC1	REAL300017634869	0	43	-1.0	-58.92	326.54	6.46	-52.46
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300017634870	0	37	-1.0	-49.56	311.08	6.23	-43.33
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017634871	0	40	-1.0	-69.01	332.30	6.35	-62.66
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300017634872	0	43	-1.0	-52.52	361.85	6.60	-45.92
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300017634873	0	40	-1.0	-46.18	350.69	6.33	-39.85
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F	REAL300017634874	0	43	-1.0	-48.28	356.57	6.57	-41.71
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=CC(Br)=C1C	REAL300017634875	0	40	-1.0	-61.22	340.25	7.47	-53.75
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017634876	0	37	-1.0	-59.68	327.69	6.82	-52.86
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017634877	0	34	-1.0	-47.64	313.08	6.30	-41.34
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300017634878	0	41	-1.0	-59.46	330.84	2.52	-56.94
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1	REAL300017634879	0	59	-1.0	-51.56	455.84	10.04	-41.52
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1	REAL300017634880	0	49	-1.0	-54.29	385.18	7.41	-46.88
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC(CC)CC1	REAL300017634881	0	45	-1.0	-42.55	338.57	5.83	-36.72
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017634882	0	40	-1.0	-55.43	326.40	6.73	-48.70
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=CC=C1F	REAL300017634883	0	40	-1.0	-57.54	329.89	6.84	-50.70
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017634884	0	40	-1.0	-56.77	337.00	7.17	-49.60
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=C(F)C=C1OC	REAL300017634885	0	38	-1.0	-42.69	332.41	5.96	-36.73
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O	REAL300017634886	0	49	-1.0	-53.70	381.04	4.28	-49.42
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1	REAL300017634887	0	45	-1.0	-56.50	368.05	5.72	-50.78
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1	REAL300017634888	0	41	-1.0	-46.76	352.02	8.49	-38.27
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC(OC)CC1	REAL300017634889	0	43	-1.0	-46.46	330.95	3.52	-42.94
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017634890	0	37	-1.0	-58.85	330.92	6.93	-51.92
CCC(C)OC1=CC=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300017634891	0	47	-1.0	-52.66	371.05	6.95	-45.71
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC(C)CC(F)(F)F	REAL300017634892	0	39	-1.0	-40.84	311.72	5.36	-35.48
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017634893	0	41	-1.0	-50.30	339.07	6.92	-43.38
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C	REAL300017634894	0	46	-1.0	-48.44	366.10	4.85	-43.59
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(F)C=C1OC	REAL300017634895	0	38	-1.0	-44.80	309.68	5.25	-39.55
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300017634896	0	40	-1.0	-52.08	332.51	6.00	-46.08
CCC1=NC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=CN1CC1CC1	REAL300017634897	0	47	-1.0	-55.77	370.02	7.64	-48.13
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1	REAL300017634898	0	45	-1.0	-53.26	364.85	5.87	-47.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017634899	0	37	-1.0	-44.28	321.28	4.93	-39.35
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017634900	0	37	-1.0	-68.04	320.20	5.64	-62.40
CCCOC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1C(C)C	REAL300017634901	0	53	-1.0	-51.85	406.17	8.10	-43.75
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300017634902	0	42	-1.0	-45.27	336.65	7.32	-37.95
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300017634903	0	41	-1.0	-54.85	327.45	5.13	-49.72
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017634904	0	47	-1.0	-44.44	378.94	7.85	-36.59
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017634905	0	48	-1.0	-51.96	393.07	8.48	-43.48
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC(OC)C1=CC=C(F)C=C1	REAL300017634906	0	44	-1.0	-55.56	356.55	6.27	-49.29
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017634907	0	46	-1.0	-46.64	362.37	6.92	-39.72
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1	REAL300017634908	0	42	-1.0	-50.96	356.64	4.04	-46.92
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12	REAL300017634909	0	46	-1.0	-47.96	367.68	7.99	-39.97
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1	REAL300017634910	0	45	-1.0	-56.35	360.94	4.32	-52.03
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017634911	0	43	-1.0	-41.34	329.47	6.61	-34.73
CCOC1(CS(=O)(=O)N(CC)C(CC)C(=O)[O-])CCOCC1	REAL300017634912	0	48	-1.0	-58.37	351.07	3.85	-54.52
CCOC(CS(=O)(=O)N(CC)C(CC)C(=O)[O-])C1CC1	REAL300017634913	0	44	-1.0	-42.51	344.61	5.70	-36.81
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300017634914	0	40	-1.0	-45.98	340.37	5.89	-40.09
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2	REAL300017634915	0	45	-1.0	-55.36	368.52	6.76	-48.60
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300017634916	0	37	-1.0	-45.02	313.60	3.78	-41.24
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017634917	0	45	-1.0	-57.34	385.14	9.51	-47.83
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=C(Br)C=C1C	REAL300017634918	0	37	-1.0	-39.98	316.32	6.50	-33.48
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C)=C1Br	REAL300017634919	0	37	-1.0	-44.52	308.78	6.38	-38.14
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(F)=C1C(=O)OC	REAL300017634920	0	40	-1.0	-55.76	325.64	6.35	-49.41
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017634921	0	42	-1.0	-46.38	338.95	3.05	-43.33
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300017634922	0	38	-1.0	-52.18	329.88	5.20	-46.98
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300017634923	0	40	-1.0	-48.75	330.82	5.80	-42.95
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300017634924	0	40	-1.0	-56.84	326.11	6.63	-50.21
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(CCOC)N=C1	REAL300017634925	0	41	-1.0	-52.89	338.84	2.90	-49.99
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)N(CC2CC2)N=C1C	REAL300017634926	0	47	-1.0	-48.50	370.00	6.82	-41.68
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017634927	0	41	-1.0	-56.76	339.87	5.66	-51.10
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017634928	0	42	-1.0	-58.12	347.77	7.27	-50.85
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017634929	0	34	-1.0	-47.53	302.30	5.72	-41.81
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017634930	0	37	-1.0	-41.65	315.81	6.16	-35.49
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017634931	0	41	-1.0	-75.60	334.99	3.77	-71.83
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC	REAL300017634932	0	43	-1.0	-43.91	356.84	6.26	-37.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300017634933	0	37	-1.0	-42.53	309.76	6.39	-36.14
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1COC	REAL300017634934	0	41	-1.0	-43.42	325.61	5.38	-38.04
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300017634935	0	38	-1.0	-49.25	325.44	5.08	-44.17
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017634936	0	37	-1.0	-47.80	343.65	3.22	-44.58
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017634937	0	37	-1.0	-61.36	328.38	4.46	-56.90
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017634938	0	45	-1.0	-58.01	361.89	6.62	-51.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300017634939	0	42	-1.0	-55.30	354.29	1.85	-53.45
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300017634940	0	45	-1.0	-54.18	375.77	2.74	-51.44
CCC(=O)NCC1=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=CC=C1OC	REAL300017634941	0	51	-1.0	-57.84	406.42	4.29	-53.55
CCC1=CC=C(CS(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1	REAL300017634942	0	43	-1.0	-44.18	346.97	7.50	-36.68
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(OC)=CC=C1Br	REAL300017634943	0	38	-1.0	-40.87	308.00	5.55	-35.32
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017634944	0	49	-1.0	-54.50	389.04	5.50	-49.00
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300017634945	0	43	-1.0	-61.36	365.49	3.89	-57.47
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017634946	0	36	-1.0	-48.73	323.32	5.08	-43.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1	REAL300017634947	0	39	-1.0	-49.07	333.07	6.15	-42.92
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl	REAL300017634948	0	39	-1.0	-44.03	314.18	6.43	-37.60
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300017634949	0	35	-1.0	-49.60	317.16	6.17	-43.43
CCOC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1Br	REAL300017634950	0	41	-1.0	-50.51	347.27	6.01	-44.50
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017634951	0	48	-1.0	-63.32	388.79	5.53	-57.79
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017634952	0	37	-1.0	-63.42	305.93	6.87	-56.55
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300017634953	0	47	-1.0	-46.02	387.28	7.11	-38.91
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCOC(C)(C)C1	REAL300017634954	0	43	-1.0	-43.17	327.61	3.57	-39.60
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300017634955	0	44	-1.0	-56.76	357.10	6.16	-50.60
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300017634956	0	50	-1.0	-51.43	387.11	7.39	-44.04
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017634957	0	48	-1.0	-51.38	369.78	7.37	-44.01
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300017634958	0	47	-1.0	-51.76	368.46	6.83	-44.93
CCCOC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1	REAL300017634959	0	44	-1.0	-51.80	348.35	6.14	-45.66
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300017634960	0	38	-1.0	-50.88	321.11	4.98	-45.90
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017634961	0	38	-1.0	-50.84	330.46	5.19	-45.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300017634962	0	41	-1.0	-52.59	325.17	5.17	-47.42
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300017634963	0	47	-1.0	-52.06	364.15	6.68	-45.38
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300017634964	0	41	-1.0	-44.81	318.21	5.01	-39.80
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300017634965	0	45	-1.0	-54.11	360.48	4.61	-49.50
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCCOC)C(C)=C1	REAL300017634966	0	48	-1.0	-54.00	380.65	5.36	-48.64
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=CC=C1F	REAL300017634967	0	37	-1.0	-48.63	309.39	6.09	-42.54
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300017634968	0	45	-1.0	-63.03	375.42	5.13	-57.90
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017634969	0	49	-1.0	-53.13	379.16	4.57	-48.56
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300017634970	0	44	-1.0	-64.63	350.78	5.08	-59.55
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C)C=C1Br	REAL300017634971	0	37	-1.0	-44.51	311.93	6.34	-38.17
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300017634972	0	40	-1.0	-45.59	333.64	3.54	-42.05
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC	REAL300017634973	0	40	-1.0	-45.76	338.24	6.91	-38.85
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017634974	0	35	-1.0	-48.92	311.78	5.93	-42.99
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300017634975	0	37	-1.0	-40.96	310.45	6.40	-34.56
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300017634976	0	42	-1.0	-42.31	313.19	7.12	-35.19
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl	REAL300017634977	0	40	-1.0	-40.59	331.36	6.86	-33.73
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300017634978	0	43	-1.0	-47.85	348.82	3.27	-44.58
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300017634979	0	38	-1.0	-37.39	326.60	7.10	-30.29
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300017634980	0	35	-1.0	-51.12	311.83	5.92	-45.20
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1	REAL300017634981	0	50	-1.0	-52.78	386.54	6.84	-45.94
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017634982	0	46	-1.0	-54.06	384.62	2.97	-51.09
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300017634983	0	42	-1.0	-54.66	352.22	1.29	-53.37
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(CCNC(C)=O)S1	REAL300017634984	0	44	-1.0	-51.30	377.65	4.36	-46.94
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300017634985	0	37	-1.0	-52.45	323.06	4.07	-48.38
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)N=C(C)S1	REAL300017634986	0	36	-1.0	-56.22	305.11	3.77	-52.45
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017634987	0	36	-1.0	-66.43	310.03	6.96	-59.47
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017634988	0	37	-1.0	-54.73	331.51	6.83	-47.90
CCOC(=O)C1=C(C)C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C(C)N1	REAL300017634989	0	47	-1.0	-52.06	364.36	5.62	-46.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017634990	0	34	-1.0	-48.56	296.27	6.11	-42.45
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300017634991	0	40	-1.0	-45.80	358.20	6.02	-39.78
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017634992	0	54	-1.0	-51.18	410.20	8.74	-42.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017634993	0	44	-1.0	-61.33	381.93	5.04	-56.29
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)OC)=CC=C1C	REAL300017634994	0	43	-1.0	-61.56	341.85	6.31	-55.25
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017634995	0	36	-1.0	-43.14	314.21	7.40	-35.74
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(OC)=C(OC)C=C1F	REAL300017634996	0	42	-1.0	-54.41	330.72	4.17	-50.24
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300017634997	0	45	-1.0	-46.73	347.46	4.97	-41.76
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017634998	0	36	-1.0	-50.71	304.66	6.89	-43.82
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300017634999	0	42	-1.0	-55.30	328.15	7.37	-47.93
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017635000	0	37	-1.0	-53.31	316.84	6.44	-46.87
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017635152	0	37	-1.0	-56.99	316.82	6.29	-50.70
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017635153	0	37	-1.0	-47.58	330.38	6.58	-41.00
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017635154	0	37	-1.0	-41.58	320.29	6.30	-35.28
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300017635155	0	37	-1.0	-50.27	317.76	6.46	-43.81
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC)C(CC)C(=O)[O-]	REAL300017635156	0	45	-1.0	-47.26	358.80	4.19	-43.07
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1SC	REAL300017635157	0	38	-1.0	-47.00	311.21	6.05	-40.95
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300017635158	0	45	-1.0	-58.55	363.07	5.17	-53.38
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017635159	0	46	-1.0	-47.47	371.00	5.10	-42.37
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1	REAL300017635160	0	40	-1.0	-50.28	342.56	6.11	-44.17
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300017635161	0	44	-1.0	-51.60	365.71	4.50	-47.10
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300017635162	0	44	-1.0	-47.19	357.96	5.84	-41.35
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=C(F)C=C1C	REAL300017635163	0	37	-1.0	-39.78	316.32	6.51	-33.27
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300017635164	0	42	-1.0	-42.90	336.13	7.14	-35.76
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017635165	0	42	-1.0	-54.65	339.50	6.42	-48.23
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017635166	0	40	-1.0	-57.40	311.51	2.60	-54.80
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300017635167	0	44	-1.0	-55.06	355.28	6.08	-48.98
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017635168	0	39	-1.0	-55.29	323.67	5.25	-50.04
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300017635169	0	38	-1.0	-56.63	317.22	4.90	-51.73
CCOC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C(C)=C1	REAL300017635170	0	44	-1.0	-44.81	340.03	5.93	-38.88
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300017635171	0	42	-1.0	-60.40	361.03	1.53	-58.87
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCS(C)(=O)=O	REAL300017635172	0	36	-1.0	-63.86	299.02	1.34	-62.52
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C)=C1C(=O)OC	REAL300017635173	0	43	-1.0	-58.26	338.46	6.91	-51.35
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017635174	0	38	-1.0	-48.49	313.15	5.45	-43.04
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(SC)C=C1	REAL300017635175	0	38	-1.0	-51.82	315.40	6.08	-45.74
CCCOC(=O)C1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1	REAL300017635176	0	46	-1.0	-51.09	373.64	7.49	-43.60
CCC(=O)NC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1	REAL300017635177	0	44	-1.0	-56.64	351.17	4.80	-51.84
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017635178	0	40	-1.0	-62.11	334.36	7.83	-54.28
CCC(C(=O)[O-])N(CC)S(=O)(=O)N(CC)CC1=CC=CC=C1	REAL300017635179	0	45	-1.0	-44.24	349.35	7.04	-37.20
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(CC)C(C)=N1	REAL300017635180	0	40	-1.0	-55.72	326.45	5.11	-50.61
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017635181	0	33	-1.0	-45.70	295.38	4.07	-41.63
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017635182	0	40	-1.0	-48.57	319.92	5.07	-43.50
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017635183	0	39	-1.0	-44.64	307.89	5.51	-39.13
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017635184	0	46	-1.0	-54.93	365.67	7.01	-47.92
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017635185	0	34	-1.0	-57.40	278.47	5.03	-52.37
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017635186	0	34	-1.0	-53.35	293.65	5.64	-47.71
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300017635187	0	40	-1.0	-52.32	329.71	6.57	-45.75
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017635188	0	40	-1.0	-44.76	353.74	6.06	-38.70
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300017635189	0	42	-1.0	-47.91	347.23	5.03	-42.88
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017635190	0	37	-1.0	-41.69	330.70	6.71	-34.98
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300017635191	0	38	-1.0	-54.89	310.11	2.80	-52.09
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017635192	0	43	-1.0	-54.72	356.96	7.92	-46.80
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(COC)=C1	REAL300017635193	0	41	-1.0	-59.49	339.74	5.19	-54.30
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017635194	0	36	-1.0	-35.83	312.07	7.14	-28.69
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1	REAL300017635195	0	43	-1.0	-64.72	375.34	6.20	-58.52
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=CC=C1C(=O)OC	REAL300017635196	0	40	-1.0	-45.30	327.32	6.54	-38.76
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017635197	0	37	-1.0	-46.68	317.63	6.49	-40.19
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017635198	0	46	-1.0	-66.35	371.99	3.57	-62.78
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017635199	0	41	-1.0	-41.79	350.08	5.85	-35.94
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017635200	0	34	-1.0	-37.56	297.95	6.82	-30.74
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017635201	0	42	-1.0	-48.82	344.86	2.53	-46.29
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=CC=C1F	REAL300017635232	0	43	-1.0	-51.42	356.70	6.73	-44.69
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017635233	0	42	-1.0	-47.69	341.92	6.25	-41.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017635234	0	34	-1.0	-37.59	279.34	6.09	-31.50
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(CC)C(CC)C(=O)[O-]	REAL300017635235	0	53	-1.0	-55.54	409.97	8.31	-47.23
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017635236	0	37	-1.0	-45.87	328.70	7.09	-38.78
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017635237	0	35	-1.0	-40.60	308.70	6.04	-34.56
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300017635238	0	41	-1.0	-56.52	342.45	4.47	-52.05
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300017635239	0	42	-1.0	-46.08	337.96	5.92	-40.16
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl	REAL300017635240	0	38	-1.0	-40.11	329.71	6.27	-33.84
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CC)C(CC)C(=O)[O-]	REAL300017635241	0	46	-1.0	-42.57	324.98	7.80	-34.77
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300017635242	0	46	-1.0	-51.99	357.87	3.89	-48.10
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300017635243	0	37	-1.0	-43.84	328.74	5.05	-38.79
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC	REAL300017635244	0	43	-1.0	-43.87	359.53	7.40	-36.47
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017635245	0	45	-1.0	-51.94	381.93	8.52	-43.42
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017635246	0	40	-1.0	-52.26	347.83	6.09	-46.17
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017635247	0	40	-1.0	-44.49	364.55	6.61	-37.88
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300017635248	0	43	-1.0	-46.85	341.38	6.47	-40.38
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017635249	0	36	-1.0	-50.55	328.59	6.58	-43.97
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=CC(F)=C1OC	REAL300017635250	0	38	-1.0	-44.20	331.27	6.10	-38.10
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300017635251	0	46	-1.0	-49.62	356.62	5.87	-43.75
CCOC(=O)N1CCC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])CC1	REAL300017635252	0	48	-1.0	-43.03	373.28	5.29	-37.74
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300017635253	0	43	-1.0	-54.96	351.92	4.15	-50.81
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017635254	0	33	-1.0	-50.01	311.76	4.55	-45.46
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017635255	0	37	-1.0	-53.03	307.32	5.61	-47.42
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017635256	0	37	-1.0	-58.56	310.48	4.03	-54.53
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C2CCCN12	REAL300017635257	0	38	-1.0	-54.13	302.41	4.63	-49.50
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017635258	0	42	-1.0	-46.70	334.58	5.92	-40.78
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300017635259	0	38	-1.0	-41.56	306.13	5.51	-36.05
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21	REAL300017635260	0	43	-1.0	-50.16	362.56	7.81	-42.35
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(CC(=O)OC)C=C1	REAL300017635261	0	43	-1.0	-58.36	352.67	6.57	-51.79
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017635262	0	41	-1.0	-44.44	325.51	7.28	-37.16
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300017635263	0	44	-1.0	-52.48	357.97	6.94	-45.54
CCC(C(=O)[O-])N(CC)S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017635264	0	52	-1.0	-49.07	419.57	7.45	-41.62
CCC(C(=O)[O-])N(CC)S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017635265	0	52	-1.0	-66.80	420.77	7.54	-59.26
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017635266	0	49	-1.0	-44.54	398.33	6.58	-37.96
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300017635267	0	36	-1.0	-58.44	323.72	5.77	-52.67
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300017635268	0	45	-1.0	-57.79	360.22	6.42	-51.37
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017635269	0	34	-1.0	-43.41	304.83	6.17	-37.24
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017635270	0	34	-1.0	-47.64	311.73	6.20	-41.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300017635271	0	44	-1.0	-57.00	330.97	6.63	-50.37
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300017635272	0	38	-1.0	-50.35	315.14	5.96	-44.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300017635273	0	40	-1.0	-52.66	334.58	5.75	-46.91
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300017635274	0	38	-1.0	-46.22	321.58	5.76	-40.46
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(OC)=CC=C1C	REAL300017635275	0	41	-1.0	-59.66	316.63	4.98	-54.68
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017635276	0	35	-1.0	-48.73	316.07	6.02	-42.71
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300017635277	0	41	-1.0	-43.40	337.07	5.70	-37.70
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1	REAL300017635278	0	40	-1.0	-44.61	350.32	6.68	-37.93
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1	REAL300017635279	0	41	-1.0	-54.23	336.21	4.17	-50.06
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300017635280	0	42	-1.0	-46.33	344.78	5.46	-40.87
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017635281	0	38	-1.0	-50.85	320.98	4.76	-46.09
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017635282	0	37	-1.0	-48.55	319.63	6.12	-42.43
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300017635283	0	45	-1.0	-54.51	364.79	2.14	-52.37
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=CC=C2S1	REAL300017635284	0	46	-1.0	-51.61	389.90	8.12	-43.49
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017635285	0	38	-1.0	-66.59	313.65	7.05	-59.54
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)C=C1Br	REAL300017635286	0	38	-1.0	-44.32	319.96	4.98	-39.34
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017635287	0	39	-1.0	-59.48	335.86	0.89	-58.59
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300017635288	0	40	-1.0	-50.82	309.43	4.39	-46.43
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300017635289	0	40	-1.0	-45.83	318.55	7.37	-38.46
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017635290	0	34	-1.0	-40.73	304.68	6.16	-34.57
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300017635291	0	40	-1.0	-50.64	306.59	6.60	-44.04
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017635292	0	34	-1.0	-36.61	298.96	6.92	-29.69
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2	REAL300017635293	0	44	-1.0	-48.65	355.50	2.49	-46.16
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C#N)S1	REAL300017635294	0	32	-1.0	-41.87	293.41	4.85	-37.02
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017635295	0	35	-1.0	-48.75	302.05	3.87	-44.88
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=CC(OC)=C1	REAL300017635296	0	37	-1.0	-50.47	300.11	2.53	-47.94
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017635297	0	34	-1.0	-56.08	293.02	5.64	-50.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300017635298	0	44	-1.0	-52.49	357.55	5.84	-46.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017635299	0	38	-1.0	-64.43	335.68	2.66	-61.77
CCOC1=CC=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300017635300	0	41	-1.0	-58.04	336.03	5.69	-52.35
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017635301	0	45	-1.0	-56.06	353.22	6.64	-49.42
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017635302	0	38	-1.0	-50.94	332.25	6.30	-44.64
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017635340	0	35	-1.0	-46.13	306.62	5.89	-40.24
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300017635341	0	38	-1.0	-58.70	308.66	6.08	-52.62
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1	REAL300017635342	0	48	-1.0	-54.47	378.33	4.63	-49.84
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300017635343	0	42	-1.0	-42.90	352.18	6.58	-36.32
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300017635344	0	39	-1.0	-48.20	319.21	6.33	-41.87
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CC=C1Br	REAL300017635345	0	37	-1.0	-42.47	310.18	7.29	-35.18
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300017635346	0	37	-1.0	-48.76	321.28	4.14	-44.62
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300017635347	0	45	-1.0	-51.19	369.13	6.16	-45.03
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017635348	0	36	-1.0	-56.14	316.43	4.86	-51.28
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300017635349	0	44	-1.0	-57.86	340.41	5.26	-52.60
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(OC)C=CS1	REAL300017635350	0	35	-1.0	-45.59	291.84	3.25	-42.34
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300017635351	0	44	-1.0	-66.51	349.38	4.90	-61.61
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCCC(F)(F)F	REAL300017635352	0	36	-1.0	-40.99	305.30	4.97	-36.02
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017635353	0	39	-1.0	-58.26	321.40	5.16	-53.10
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017635354	0	40	-1.0	-64.81	326.01	3.11	-61.70
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017635355	0	46	-1.0	-54.47	347.76	5.63	-48.84
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017635356	0	36	-1.0	-48.96	313.82	4.52	-44.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300017635357	0	37	-1.0	-43.38	305.97	7.08	-36.30
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300017635358	0	42	-1.0	-52.83	334.20	5.79	-47.04
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300017635359	0	36	-1.0	-52.02	315.33	4.69	-47.33
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017635360	0	40	-1.0	-53.95	326.54	4.11	-49.84
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017635361	0	33	-1.0	-39.36	302.06	5.06	-34.30
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017635362	0	43	-1.0	-45.73	354.53	7.08	-38.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300017635363	0	38	-1.0	-47.72	310.39	5.99	-41.73
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300017635364	0	42	-1.0	-60.16	343.41	3.98	-56.18
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017635365	0	35	-1.0	-36.80	297.43	6.59	-30.21
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017635366	0	40	-1.0	-65.76	318.58	7.25	-58.51
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300017635367	0	42	-1.0	-61.53	318.78	6.47	-55.06
CCC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1CC	REAL300017635368	0	46	-1.0	-52.47	352.27	7.64	-44.83
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300017635369	0	42	-1.0	-50.97	334.25	7.64	-43.33
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300017635370	0	37	-1.0	-43.67	303.59	7.02	-36.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)OC(C(=O)OC)=C1	REAL300017635371	0	40	-1.0	-38.07	328.91	4.74	-33.33
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=C(C)S1	REAL300017635372	0	37	-1.0	-57.66	317.39	5.78	-51.88
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C=CC=C1F	REAL300017635373	0	37	-1.0	-64.47	297.41	6.14	-58.33
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017635374	0	35	-1.0	-37.67	294.23	3.54	-34.13
CCC1=NC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])S1	REAL300017635375	0	36	-1.0	-49.96	305.92	3.67	-46.29
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017635376	0	40	-1.0	-62.17	306.18	6.51	-55.66
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSN=C1C(=O)OC	REAL300017635377	0	36	-1.0	-43.77	313.66	3.94	-39.83
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300017635378	0	36	-1.0	-66.21	314.95	3.46	-62.75
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300017635379	0	40	-1.0	-54.51	330.54	6.62	-47.89
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017635380	0	42	-1.0	-60.83	334.88	3.53	-57.30
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017635381	0	45	-1.0	-52.86	337.17	3.21	-49.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C)C(C(=O)OC)=C1	REAL300017635382	0	41	-1.0	-58.33	337.78	5.19	-53.14
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017635383	0	33	-1.0	-47.69	287.58	3.81	-43.88
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C)=C1F	REAL300017635384	0	37	-1.0	-57.80	292.75	5.67	-52.13
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300017635385	0	45	-1.0	-52.35	358.03	6.95	-45.40
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017635386	0	37	-1.0	-61.88	329.87	6.85	-55.03
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017635387	0	37	-1.0	-60.26	317.89	7.37	-52.89
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017635388	0	34	-1.0	-48.61	293.64	5.98	-42.63
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300017635389	0	37	-1.0	-50.36	302.87	5.91	-44.45
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C(Cl)C(OC)=C1	REAL300017635390	0	37	-1.0	-51.07	325.49	3.39	-47.68
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017635391	0	38	-1.0	-63.70	334.00	6.72	-56.98
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)OC)N=C1	REAL300017635392	0	39	-1.0	-53.78	335.17	4.21	-49.57
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017635393	0	33	-1.0	-43.94	295.17	4.59	-39.35
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(COC)C=C1	REAL300017635394	0	41	-1.0	-53.35	330.67	4.86	-48.49
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300017635395	0	39	-1.0	-44.46	324.01	5.58	-38.88
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1	REAL300017635396	0	40	-1.0	-50.74	346.56	6.33	-44.41
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017635397	0	37	-1.0	-50.90	316.79	3.28	-47.62
CCOC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=N1	REAL300017635398	0	40	-1.0	-51.68	328.11	2.90	-48.78
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017635399	0	43	-1.0	-65.48	360.44	3.28	-62.20
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1	REAL300017635400	0	41	-1.0	-60.56	336.71	4.15	-56.41
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1	REAL300017635401	0	48	-1.0	-68.73	367.68	6.72	-62.01
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017635402	0	37	-1.0	-53.53	301.88	4.08	-49.45
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300017635403	0	40	-1.0	-40.91	327.47	6.70	-34.21
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300017635404	0	44	-1.0	-50.89	366.29	2.77	-48.12
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1	REAL300017635405	0	51	-1.0	-57.38	388.87	7.13	-50.25
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1	REAL300017635406	0	43	-1.0	-50.20	360.11	6.52	-43.68
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300017635407	0	43	-1.0	-41.51	336.88	8.13	-33.38
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017635408	0	37	-1.0	-46.25	311.10	6.49	-39.76
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017635409	0	37	-1.0	-58.85	314.13	6.87	-51.98
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1	REAL300017635410	0	48	-1.0	-63.41	396.18	3.61	-59.80
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300017635411	0	47	-1.0	-51.31	381.36	6.83	-44.48
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=CC=C1C	REAL300017635412	0	46	-1.0	-51.30	368.43	7.22	-44.08
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300017635413	0	46	-1.0	-64.68	370.21	8.24	-56.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC	REAL300017635414	0	45	-1.0	-54.86	371.03	5.13	-49.73
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C(F)C=C1C	REAL300017635415	0	46	-1.0	-52.86	365.46	7.14	-45.72
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017635416	0	40	-1.0	-57.65	341.05	7.31	-50.34
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300017635417	0	43	-1.0	-56.72	348.48	6.52	-50.20
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017635418	0	44	-1.0	-61.29	345.59	9.32	-51.97
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1	REAL300017635419	0	48	-1.0	-53.91	394.74	2.92	-50.99
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=CC=C1Br	REAL300017635420	0	37	-1.0	-46.26	320.87	6.61	-39.65
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=CN1C	REAL300017635421	0	46	-1.0	-56.20	378.95	6.34	-49.86
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017635422	0	38	-1.0	-58.20	326.56	6.19	-52.01
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017635423	0	37	-1.0	-51.59	307.61	5.94	-45.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300017635424	0	36	-1.0	-47.55	294.02	4.16	-43.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300017635425	0	37	-1.0	-57.87	315.09	4.55	-53.32
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017635426	0	35	-1.0	-46.36	298.92	3.92	-42.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC(C)(C)C(=O)OC	REAL300017635427	0	42	-1.0	-55.48	320.45	5.97	-49.51
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1	REAL300017635428	0	47	-1.0	-63.42	377.77	6.33	-57.09
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)OC)C=C1F	REAL300017635429	0	40	-1.0	-45.12	335.76	5.86	-39.26
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC	REAL300017635430	0	45	-1.0	-49.75	374.88	4.79	-44.96
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1	REAL300017635431	0	49	-1.0	-52.72	388.06	7.93	-44.79
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1	REAL300017635432	0	46	-1.0	-55.82	379.09	4.29	-51.53
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1(C(=O)OC)CCCC1	REAL300017635433	0	46	-1.0	-46.56	347.51	6.82	-39.74
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300017635434	0	41	-1.0	-52.76	350.88	5.51	-47.25
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300017635435	0	40	-1.0	-48.83	330.05	6.64	-42.19
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017635436	0	45	-1.0	-51.49	380.65	8.48	-43.01
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(CC(=O)OC)=C1	REAL300017635437	0	43	-1.0	-65.13	348.35	7.33	-57.80
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC12CCC(CC1)C2	REAL300017635438	0	44	-1.0	-61.40	316.21	7.54	-53.86
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017635439	0	40	-1.0	-56.55	340.51	7.25	-49.30
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1(C(=O)OC)CCC1	REAL300017635440	0	43	-1.0	-66.48	341.49	5.76	-60.72
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017635441	0	34	-1.0	-41.60	314.11	5.63	-35.97
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1	REAL300017635442	0	47	-1.0	-56.17	388.93	5.65	-50.52
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300017635443	0	50	-1.0	-59.19	416.14	6.66	-52.53
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1(C(=O)OC)CCCCC1	REAL300017635444	0	49	-1.0	-64.63	365.48	7.69	-56.94
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F	REAL300017635445	0	42	-1.0	-48.86	350.24	6.47	-42.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017635446	0	36	-1.0	-64.64	299.21	5.08	-59.56
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017635447	0	38	-1.0	-45.59	298.55	5.47	-40.12
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300017635448	0	47	-1.0	-56.74	378.89	9.12	-47.62
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017635449	0	37	-1.0	-58.88	339.36	7.32	-51.56
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017635450	0	37	-1.0	-59.29	330.24	6.92	-52.37
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Br)C=CC(OC)=C1F	REAL300017635451	0	38	-1.0	-64.02	310.04	5.72	-58.30
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=C(C)C=C(C#N)C=C1C	REAL300017635452	0	44	-1.0	-41.90	355.40	7.73	-34.17
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC(C)(C)C1CC1	REAL300017635453	0	46	-1.0	-60.58	347.63	6.92	-53.66
CCC(C(=O)[O-])N(CC)S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017635454	0	38	-1.0	-45.55	327.54	7.01	-38.54
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCCC(C)(F)F	REAL300017635455	0	39	-1.0	-42.27	320.42	5.62	-36.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCCC1=CC=CC=C1	REAL300017635456	0	43	-1.0	-61.40	338.29	8.39	-53.01
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300017635458	0	38	-1.0	-40.06	313.76	0.65	-39.41
CCCC1=CC=CC=C1S(=O)(=O)N(CC)C(CC)C(=O)[O-]	REAL300017635462	0	43	-1.0	-45.48	332.30	7.81	-37.67
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017635463	0	43	-1.0	-62.40	346.19	6.30	-56.10
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSC=C1C(F)F	REAL300017635464	0	34	-1.0	-42.82	292.57	5.17	-37.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017635465	0	40	-1.0	-58.33	330.73	6.87	-51.46
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300017635466	0	50	-1.0	-50.06	395.05	8.08	-41.98
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017635467	0	39	-1.0	-49.59	312.73	5.69	-43.90
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O	REAL300017635468	0	54	-1.0	-59.26	401.83	7.57	-51.69
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)OC)=CN1C	REAL300017635469	0	41	-1.0	-54.33	325.08	5.84	-48.49
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017635470	0	48	-1.0	-53.63	369.85	5.11	-48.52
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017635471	0	49	-1.0	-76.76	381.00	8.56	-68.20
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C21	REAL300017635472	0	48	-1.0	-57.07	377.62	7.05	-50.02
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017635473	0	41	-1.0	-45.64	331.29	5.07	-40.57
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=NN1C1CCC1	REAL300017635474	0	41	-1.0	-48.18	323.24	5.62	-42.56
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017635475	0	44	-1.0	-43.19	347.99	5.81	-37.38
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017635483	0	40	-1.0	-57.11	350.89	6.27	-50.84
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017635484	0	40	-1.0	-52.85	325.99	2.30	-50.55
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Br)C=CO1	REAL300017635485	0	31	-1.0	-52.74	272.43	3.84	-48.90
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C2CCCCN12	REAL300017635486	0	41	-1.0	-50.35	320.29	5.26	-45.09
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300017635487	0	38	-1.0	-49.39	325.30	4.86	-44.53
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=C(OC)C=C1F	REAL300017635488	0	38	-1.0	-52.57	307.99	4.40	-48.17
CCCCCOC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1C(C)C	REAL300017635489	0	59	-1.0	-51.85	449.33	9.71	-42.14
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300017635490	0	50	-1.0	-50.92	376.55	7.77	-43.15
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300017635491	0	44	-1.0	-46.53	351.32	6.79	-39.74
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)SC=C1C	REAL300017635492	0	37	-1.0	-50.65	286.63	5.45	-45.20
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300017635493	0	42	-1.0	-50.03	333.87	6.00	-44.03
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300017635494	0	42	-1.0	-50.00	344.67	4.81	-45.19
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300017635495	0	42	-1.0	-59.48	347.67	7.52	-51.96
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300017635496	0	38	-1.0	-48.07	314.15	5.93	-42.14
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)SC(C)=C1Br	REAL300017635497	0	37	-1.0	-52.45	310.91	6.25	-46.20
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Cl)C=C(C)C=C1Br	REAL300017635498	0	37	-1.0	-55.00	321.24	7.20	-47.80
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C	REAL300017635499	0	51	-1.0	-63.18	384.74	7.21	-55.97
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017635500	0	40	-1.0	-47.34	325.88	5.67	-41.67
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C	REAL300017635501	0	48	-1.0	-45.45	378.56	6.87	-38.58
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSC=C1Cl	REAL300017635502	0	31	-1.0	-42.14	280.76	4.57	-37.57
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=NN1C	REAL300017635503	0	34	-1.0	-51.26	302.16	3.37	-47.89
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017635504	0	36	-1.0	-47.16	309.88	4.30	-42.86
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300017635505	0	39	-1.0	-57.67	321.60	4.92	-52.75
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017635506	0	43	-1.0	-52.64	316.72	5.03	-47.61
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017635507	0	38	-1.0	-43.90	317.63	5.98	-37.92
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017635508	0	35	-1.0	-39.74	296.28	4.19	-35.55
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017635509	0	37	-1.0	-57.47	323.28	6.82	-50.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017635510	0	38	-1.0	-41.80	319.83	6.09	-35.71
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017635511	0	37	-1.0	-68.60	315.67	5.53	-63.07
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300017635512	0	41	-1.0	-43.75	331.43	5.36	-38.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300017635513	0	43	-1.0	-41.98	326.09	7.48	-34.50
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300017635514	0	42	-1.0	-48.07	317.75	6.04	-42.03
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017635515	0	43	-1.0	-58.43	346.70	2.68	-55.75
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300017635516	0	35	-1.0	-50.73	316.13	6.01	-44.72
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=COC2=CC=CC=C12	REAL300017635517	0	37	-1.0	-48.25	307.36	5.56	-42.69
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(F)C=CC(OC)=C1OC	REAL300017635518	0	42	-1.0	-51.28	337.15	5.60	-45.68
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1	REAL300017635519	0	37	-1.0	-48.30	333.63	5.97	-42.33
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300017635520	0	47	-1.0	-50.89	360.77	6.03	-44.86
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300017635521	0	38	-1.0	-45.25	330.25	7.25	-38.00
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300017635523	0	41	-1.0	-57.61	320.05	5.48	-52.13
CCC(C(=O)[O-])N(CC)C(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017635524	0	36	-1.0	-55.39	313.40	10.34	-45.05
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017635525	0	38	-1.0	-53.54	314.58	4.65	-48.89
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017635526	0	38	-1.0	-45.28	320.16	6.10	-39.18
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017635527	0	37	-1.0	-57.48	301.00	4.16	-53.32
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300017635528	0	39	-1.0	-55.50	322.05	3.92	-51.58
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300017635530	0	40	-1.0	-42.99	328.04	6.99	-36.00
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCCC(C)(C)C1	REAL300017635531	0	45	-1.0	-43.60	335.34	5.67	-37.93
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017635532	0	40	-1.0	-49.17	339.76	6.18	-42.99
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017635533	0	37	-1.0	-45.88	309.46	5.55	-40.33
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300017635534	0	44	-1.0	-50.94	346.66	5.77	-45.17
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300017635535	0	52	-1.0	-49.70	386.61	9.85	-39.85
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017635536	0	40	-1.0	-54.73	355.88	7.34	-47.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Cl)SC=C1	REAL300017635537	0	31	-1.0	-49.35	278.29	4.75	-44.60
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017635538	0	44	-1.0	-59.76	358.42	6.04	-53.72
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017635539	0	38	-1.0	-61.90	302.79	6.80	-55.10
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017635540	0	45	-1.0	-46.56	374.49	8.24	-38.32
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300017635541	0	47	-1.0	-59.66	365.21	3.47	-56.19
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300017635542	0	43	-1.0	-76.21	348.40	6.60	-69.61
CCCC1=CC=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300017635543	0	43	-1.0	-43.73	342.79	7.67	-36.06
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)OC)=NN1C	REAL300017635544	0	40	-1.0	-55.98	336.21	3.60	-52.38
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300017635545	0	35	-1.0	-41.05	286.18	5.86	-35.19
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C2CCCC2=NN1C	REAL300017635546	0	41	-1.0	-51.06	322.05	4.78	-46.28
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017635547	0	38	-1.0	-51.21	340.88	6.71	-44.50
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1	REAL300017635548	0	46	-1.0	-53.76	375.90	7.96	-45.80
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300017635549	0	43	-1.0	-43.72	327.99	5.02	-38.70
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300017635550	0	43	-1.0	-52.75	341.15	4.80	-47.95
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CNN=C1C1CCC1	REAL300017635551	0	41	-1.0	-49.86	317.92	4.20	-45.66
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300017635552	0	39	-1.0	-51.17	335.56	5.23	-45.94
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017635553	0	37	-1.0	-47.58	320.07	6.14	-41.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(CF)C=C1	REAL300017635554	0	37	-1.0	-53.46	303.41	5.89	-47.57
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017635555	0	34	-1.0	-38.67	284.85	5.41	-33.26
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017635556	0	34	-1.0	-51.62	300.42	6.02	-45.60
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC(F)(F)CC1	REAL300017635557	0	39	-1.0	-40.47	310.38	4.58	-35.89
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017635558	0	37	-1.0	-48.30	327.51	6.53	-41.77
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017635559	0	37	-1.0	-50.27	301.50	6.55	-43.72
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300017635560	0	45	-1.0	-62.95	369.26	7.50	-55.45
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017635561	0	45	-1.0	-46.62	349.59	8.38	-38.24
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300017635562	0	44	-1.0	-54.34	361.64	7.09	-47.25
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017635563	0	40	-1.0	-50.54	334.34	6.10	-44.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017635564	0	40	-1.0	-56.08	327.07	5.99	-50.09
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300017635565	0	39	-1.0	-44.64	335.96	5.98	-38.66
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017635566	0	43	-1.0	-61.81	355.48	5.42	-56.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017635567	0	34	-1.0	-40.73	301.62	5.47	-35.26
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300017635568	0	41	-1.0	-52.49	324.64	7.18	-45.31
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(OC)SC=C1	REAL300017635569	0	35	-1.0	-48.67	290.52	4.33	-44.34
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017635570	0	37	-1.0	-59.12	302.94	6.35	-52.77
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)OC)=C(C)S1	REAL300017635571	0	40	-1.0	-56.33	350.60	5.73	-50.60
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017635572	0	41	-1.0	-46.28	330.28	7.32	-38.96
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017635573	0	44	-1.0	-48.44	340.77	6.34	-42.10
CCC(C)N1N=CC=C1S(=O)(=O)N(CC)C(CC)C(=O)[O-]	REAL300017635574	0	43	-1.0	-42.75	331.29	4.83	-37.92
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(NC(=O)NC)C=C1	REAL300017635575	0	43	-1.0	-57.36	345.69	2.70	-54.66
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300017635576	0	37	-1.0	-57.61	329.82	1.66	-55.95
CCC(C(=O)[O-])N(CC)S(=O)(=O)N(C)C1CCCCCC1	REAL300017635577	0	48	-1.0	-46.13	336.42	6.54	-39.59
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=C(F)C=C1OC	REAL300017635578	0	38	-1.0	-43.29	317.52	5.36	-37.93
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300017635579	0	48	-1.0	-46.70	369.49	4.20	-42.50
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300017635580	0	40	-1.0	-56.06	337.89	7.00	-49.06
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017635581	0	38	-1.0	-44.83	317.65	5.04	-39.79
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017635582	0	49	-1.0	-43.08	376.36	7.96	-35.12
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)S1	REAL300017635583	0	35	-1.0	-44.47	304.70	3.75	-40.72
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300017635584	0	45	-1.0	-57.36	347.21	7.36	-50.00
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017635585	0	42	-1.0	-44.70	336.42	5.42	-39.28
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(CCF)N=C1	REAL300017635586	0	37	-1.0	-55.58	317.10	4.08	-51.50
CCOCC1=CC=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300017635587	0	44	-1.0	-59.50	361.60	6.15	-53.35
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300017635590	0	44	-1.0	-54.87	359.84	6.43	-48.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017635591	0	47	-1.0	-52.14	365.48	6.23	-45.91
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017635592	0	45	-1.0	-51.21	364.44	7.99	-43.22
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1CF	REAL300017635593	0	37	-1.0	-46.53	296.95	6.18	-40.35
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300017635594	0	40	-1.0	-51.41	337.11	7.06	-44.35
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Cl)N(CC)N=C1	REAL300017635595	0	37	-1.0	-44.84	316.38	4.02	-40.82
CCC(C(=O)[O-])N(CC)S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017635596	0	38	-1.0	-45.46	331.56	7.10	-38.36
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1	REAL300017635597	0	40	-1.0	-51.98	364.17	6.50	-45.48
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017635598	0	34	-1.0	-56.73	313.02	6.16	-50.57
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017635599	0	36	-1.0	-38.53	307.64	4.67	-33.86
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017635600	0	39	-1.0	-60.10	325.37	6.03	-54.07
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017635601	0	39	-1.0	-50.07	318.81	5.77	-44.30
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300017635602	0	43	-1.0	-47.53	324.92	7.69	-39.84
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(OC)C=CC(Br)=C1F	REAL300017635603	0	38	-1.0	-53.09	325.81	6.08	-47.01
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017635604	0	41	-1.0	-54.38	333.12	5.43	-48.95
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300017635605	0	48	-1.0	-52.85	379.98	6.59	-46.26
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017635606	0	34	-1.0	-52.46	294.35	5.57	-46.89
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1	REAL300017635607	0	40	-1.0	-59.11	338.90	2.90	-56.21
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300017635608	0	44	-1.0	-44.92	356.71	6.53	-38.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017635609	0	40	-1.0	-61.82	341.51	4.68	-57.14
CCC(C(=O)[O-])N(CC)S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017635610	0	38	-1.0	-52.56	317.72	6.57	-45.99
CCC(C(=O)[O-])N(CC)S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017635611	0	38	-1.0	-45.46	327.04	7.64	-37.82
CCC(C(=O)[O-])N(CC)S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017635612	0	38	-1.0	-51.88	332.60	7.12	-44.76
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017635613	0	38	-1.0	-52.67	319.39	6.47	-46.20
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCCCC1C(=O)OC	REAL300017635614	0	45	-1.0	-44.58	339.75	5.97	-38.61
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300017635615	0	56	-1.0	-53.16	404.48	9.26	-43.90
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300017635616	0	37	-1.0	-50.46	320.72	5.87	-44.59
CCC(C(=O)[O-])N(CC)S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300017635617	0	45	-1.0	-53.68	350.35	6.18	-47.50
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C=CC(=O)OC)C=C1	REAL300017635618	0	44	-1.0	-54.81	361.86	6.95	-47.86
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=NN1	REAL300017635619	0	40	-1.0	-48.39	336.40	3.70	-44.69
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300017635620	0	39	-1.0	-47.11	324.74	3.91	-43.20
CCC(C(=O)[O-])N(CC)C(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300017635621	0	51	-1.0	-53.61	332.97	9.28	-44.33
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017635622	0	46	-1.0	-57.75	317.96	6.31	-51.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300017635623	0	45	-1.0	-44.06	362.23	7.28	-36.78
CCC(C(=O)[O-])N(CC)C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017635624	0	45	-1.0	-55.66	335.78	11.29	-44.37
CCC(C(=O)[O-])N(CC)C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017635625	0	51	-1.0	-51.86	367.66	11.00	-40.86
CCC(C(=O)[O-])N(CC)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	REAL300017635626	0	52	-1.0	-51.79	374.49	8.10	-43.69
CCC(C(=O)[O-])N(CC)C(=O)N1CCC(C(=O)OC)CC1	REAL300017635627	0	44	-1.0	-54.75	322.38	7.49	-47.26
CCC(C(=O)[O-])N(CC)C(=O)N(C)C1CCS(=O)(=O)C1	REAL300017635628	0	41	-1.0	-60.08	306.75	3.59	-56.49
CCC(C(=O)[O-])N(CC)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C	REAL300017635629	0	53	-1.0	-55.65	387.28	8.54	-47.11
CCC(C(=O)[O-])N(CC)C(=O)N1CCOC(C(=O)OC)C1	REAL300017635630	0	42	-1.0	-52.88	314.05	6.06	-46.82
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(F)C=CC(Br)=C1OC	REAL300017635631	0	38	-1.0	-58.13	317.68	6.94	-51.19
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017635632	0	38	-1.0	-53.04	319.62	6.25	-46.79
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017635633	0	38	-1.0	-53.96	318.28	4.68	-49.28
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300017635634	0	40	-1.0	-49.79	315.74	4.93	-44.86
CCC(C(=O)[O-])N(CC)C(=O)N1CCC(OC(C)=O)CC1	REAL300017635635	0	44	-1.0	-53.14	323.55	7.73	-45.41
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300017635636	0	41	-1.0	-61.65	338.14	7.15	-54.50
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017635637	0	37	-1.0	-39.13	308.93	6.60	-32.53
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017635638	0	43	-1.0	-56.34	363.30	5.87	-50.47
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017635639	0	31	-1.0	-47.81	304.15	5.38	-42.43
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300017635640	0	34	-1.0	-44.45	294.56	3.16	-41.29
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300017635641	0	47	-1.0	-48.40	371.91	7.72	-40.68
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C	REAL300017635642	0	51	-1.0	-52.53	393.59	7.08	-45.45
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017635643	0	37	-1.0	-48.51	337.78	6.86	-41.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017635644	0	39	-1.0	-54.06	326.94	5.75	-48.31
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC[C@H]1C(=O)OC	REAL300017635645	0	42	-1.0	-46.81	336.61	5.06	-41.75
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017635646	0	45	-1.0	-57.47	373.94	8.35	-49.12
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300017635647	0	40	-1.0	-51.29	318.42	7.08	-44.21
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017635648	0	39	-1.0	-55.97	330.36	3.77	-52.20
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017635649	0	35	-1.0	-44.16	309.58	4.66	-39.50
CCC(C(=O)[O-])N(CC)C(=O)N1CCCC(OC(C)=O)C1	REAL300017635650	0	44	-1.0	-61.47	323.50	7.77	-53.70
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=NN1COC	REAL300017635651	0	38	-1.0	-44.17	311.98	1.73	-42.44
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300017635652	0	36	-1.0	-47.57	294.41	4.27	-43.30
C=C(C)COC1=CC=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300017635653	0	45	-1.0	-58.29	368.34	7.09	-51.20
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300017635654	0	44	-1.0	-45.83	353.64	5.82	-40.01
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300017635655	0	38	-1.0	-44.85	309.18	4.34	-40.51
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017635656	0	40	-1.0	-51.37	337.86	7.83	-43.54
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC(OC(C)=O)C1	REAL300017635657	0	42	-1.0	-59.10	344.21	4.71	-54.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017635658	0	44	-1.0	-56.81	375.35	9.30	-47.51
CCC1=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=CC=C1Br	REAL300017635659	0	40	-1.0	-49.47	334.65	7.00	-42.47
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300017635660	0	47	-1.0	-46.04	365.23	6.47	-39.57
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CS1	REAL300017635661	0	31	-1.0	-48.98	284.48	4.62	-44.36
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300017635662	0	48	-1.0	-48.55	382.00	5.80	-42.75
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017635663	0	40	-1.0	-46.88	329.20	7.89	-38.99
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C2COCCC2=NN1C	REAL300017635664	0	42	-1.0	-47.38	319.82	2.64	-44.74
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300017635665	0	41	-1.0	-55.17	308.73	6.82	-48.35
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC(C)(C)CC1	REAL300017635666	0	45	-1.0	-44.16	332.67	5.42	-38.74
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC(COC(C)=O)CC1	REAL300017635667	0	48	-1.0	-45.91	376.05	6.07	-39.84
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC	REAL300017635668	0	48	-1.0	-63.59	381.65	5.72	-57.87
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017635669	0	44	-1.0	-59.51	347.77	3.15	-56.36
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)N=C1C	REAL300017635670	0	40	-1.0	-48.96	310.09	2.33	-46.63
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CN=C1OC	REAL300017635671	0	40	-1.0	-45.22	316.25	3.54	-41.68
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017635672	0	49	-1.0	-52.32	376.72	5.48	-46.84
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300017635673	0	37	-1.0	-40.90	317.77	3.52	-37.38
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300017635674	0	40	-1.0	-54.12	331.96	2.83	-51.29
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300017635675	0	43	-1.0	-56.37	351.84	5.48	-50.89
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300017635676	0	43	-1.0	-47.14	340.79	4.79	-42.35
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017635677	0	33	-1.0	-58.58	300.96	4.47	-54.11
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C#N)C=CS1	REAL300017635678	0	32	-1.0	-39.51	281.42	4.35	-35.16
CCC(C(=O)[O-])N(CC)S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017635679	0	38	-1.0	-42.06	344.26	7.52	-34.54
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=NN1C(C)C	REAL300017635680	0	40	-1.0	-42.46	313.08	4.21	-38.25
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1	REAL300017635681	0	42	-1.0	-50.34	349.78	4.79	-45.55
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300017635682	0	37	-1.0	-54.51	314.38	7.94	-46.57
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=NN1CC1CC1	REAL300017635683	0	41	-1.0	-47.40	321.24	5.16	-42.24
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017635684	0	41	-1.0	-47.83	336.77	6.66	-41.17
CCC(C(=O)[O-])N(CC)S(=O)(=O)CC1=CC(OC)=NO1	REAL300017635685	0	37	-1.0	-56.47	306.08	1.41	-55.06
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC2=CC=CN=C21	REAL300017635686	0	39	-1.0	-60.02	307.96	5.44	-54.58
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300017635687	0	43	-1.0	-42.34	336.21	5.00	-37.34
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017635688	0	41	-1.0	-53.97	335.48	7.35	-46.62
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017635689	0	36	-1.0	-49.81	303.06	4.14	-45.67
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300017635690	0	48	-1.0	-52.25	384.73	8.72	-43.53
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017635691	0	41	-1.0	-54.96	337.17	7.36	-47.60
CCC(C(=O)[O-])N(CC)C(=O)N1CCC(C(F)(F)F)CC1	REAL300017635692	0	41	-1.0	-49.16	313.35	8.19	-40.97
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017635693	0	38	-1.0	-43.79	313.10	5.88	-37.91
CCC(C(=O)[O-])N(CC)C(=O)N1CC=C(Br)CC1	REAL300017635694	0	36	-1.0	-48.58	282.93	7.43	-41.15
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017635695	0	37	-1.0	-55.58	304.08	5.82	-49.76
CCC(C(=O)[O-])N(CC)S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300017635696	0	42	-1.0	-59.15	322.60	0.70	-58.45
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CC2CCC(C1)O2	REAL300017635697	0	41	-1.0	-43.95	313.37	3.46	-40.49
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC(C#N)CC1	REAL300017635698	0	40	-1.0	-42.75	319.14	4.78	-37.97
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017635700	0	41	-1.0	-48.68	332.13	7.58	-41.10
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl	REAL300017635701	0	37	-1.0	-54.11	311.95	6.42	-47.69
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017635702	0	38	-1.0	-41.45	327.02	4.99	-36.46
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017635703	0	41	-1.0	-48.15	346.38	6.27	-41.88
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300017635704	0	41	-1.0	-41.89	329.58	5.81	-36.08
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300017635705	0	40	-1.0	-39.88	340.15	4.01	-35.87
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300017635706	0	42	-1.0	-54.09	334.66	6.91	-47.18
CCC(C(=O)[O-])N(CC)C(=O)N1CC(OCC2=CC=CC=C2)C1	REAL300017635707	0	46	-1.0	-52.42	355.53	8.80	-43.62
CCC(C(=O)[O-])N(CC)C(=O)N1CC(NC(=O)OC(C)(C)C)C1	REAL300017635708	0	49	-1.0	-53.26	366.86	5.43	-47.83
CCC(C(=O)[O-])N(CC)C(=O)N1CCC(COC(C)=O)CC1	REAL300017635709	0	47	-1.0	-54.50	346.65	8.37	-46.13
CCC(C(=O)[O-])N(CC)C(=O)N1CCCC(C(=O)OC)C1	REAL300017635710	0	44	-1.0	-51.72	321.98	7.41	-44.31
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CC=C(Br)CC1	REAL300017635711	0	37	-1.0	-55.72	296.99	5.71	-50.01
CCC(C(=O)[O-])N(CC)S(=O)(=O)N1CCC(F)(F)C1	REAL300017635713	0	36	-1.0	-55.82	301.40	3.83	-51.99
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300017635714	0	47	-1.0	-48.47	366.86	7.48	-40.99
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300017635715	0	34	-1.0	-53.90	299.78	5.43	-48.47
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017635716	0	41	-1.0	-42.77	337.55	6.48	-36.29
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C2CCCCN2N=C1	REAL300017635717	0	41	-1.0	-41.07	317.78	4.47	-36.60
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=N1	REAL300017635718	0	32	-1.0	-55.91	323.69	3.53	-52.38
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=C1	REAL300017635719	0	35	-1.0	-45.45	340.40	6.58	-38.87
CN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635720	0	30	-1.0	-50.99	293.23	2.94	-48.05
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635721	0	36	-1.0	-47.04	348.61	7.07	-39.97
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635722	0	38	-1.0	-55.44	352.71	4.79	-50.65
CC1=NNC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635723	0	35	-1.0	-43.45	332.50	3.66	-39.79
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635724	0	35	-1.0	-44.90	341.30	6.59	-38.31
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=C1	REAL300017635725	0	36	-1.0	-44.05	346.28	5.19	-38.86
O=C([O-])C(NS(=O)(=O)C1=CC=C(F)C=C1F)C1=CC=C(F)C(Cl)=C1F	REAL300017635726	0	32	-1.0	-49.40	321.26	5.68	-43.72
O=C([O-])C(NS(=O)(=O)C1=CC=C(F)C=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635727	0	32	-1.0	-42.13	325.37	5.99	-36.14
O=C([O-])C(NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635728	0	32	-1.0	-49.71	324.68	5.87	-43.84
O=C([O-])C(NS(=O)(=O)C1=CC=C(F)C(F)=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635729	0	32	-1.0	-46.90	330.98	5.94	-40.96
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635730	0	35	-1.0	-52.88	339.45	6.51	-46.37
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1F)C1=CC=C(F)C(Cl)=C1F	REAL300017635731	0	32	-1.0	-52.70	313.36	5.56	-47.14
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Cl)=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635732	0	32	-1.0	-49.53	334.77	6.36	-43.17
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635733	0	38	-1.0	-43.66	349.88	7.35	-36.31
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=C1C	REAL300017635734	0	38	-1.0	-53.75	356.46	7.05	-46.70
C=CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635735	0	35	-1.0	-53.06	337.63	5.66	-47.40
O=C([O-])C(NS(=O)(=O)CCC1CCOCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635736	0	42	-1.0	-54.42	375.16	5.13	-49.29
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)S1	REAL300017635737	0	35	-1.0	-53.97	349.10	6.17	-47.80
O=C([O-])C(NS(=O)(=O)C1=C(F)C=CS1)C1=CC=C(F)C(Cl)=C1F	REAL300017635738	0	29	-1.0	-39.18	304.52	4.60	-34.58
O=C([O-])C(NS(=O)(=O)CCC1CCOC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635739	0	39	-1.0	-53.89	357.51	4.31	-49.58
O=C([O-])C(NS(=O)(=O)CC1CC(F)(F)C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635740	0	35	-1.0	-54.17	343.49	5.76	-48.41
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C(C)=C1	REAL300017635741	0	38	-1.0	-52.56	355.43	7.46	-45.10
COC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635742	0	36	-1.0	-50.79	331.18	5.74	-45.05
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1Cl)C1=CC=C(F)C(Cl)=C1F	REAL300017635743	0	32	-1.0	-50.86	316.60	5.93	-44.93
O=C([O-])C(NS(=O)(=O)C1=C(F)C=CC=C1F)C1=CC=C(F)C(Cl)=C1F	REAL300017635744	0	32	-1.0	-48.05	327.13	6.17	-41.88
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)N=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635745	0	31	-1.0	-51.17	330.17	4.44	-46.73
N#CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635746	0	33	-1.0	-50.48	338.87	6.23	-44.25
N#CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=C1	REAL300017635747	0	33	-1.0	-40.78	337.60	6.28	-34.50
N#CC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635748	0	33	-1.0	-51.37	337.90	6.24	-45.13
CC1=NOC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635749	0	34	-1.0	-44.49	329.78	4.83	-39.66
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=C1	REAL300017635750	0	38	-1.0	-45.17	361.86	7.36	-37.81
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC=C1F)C1=CC=C(F)C(Cl)=C1F	REAL300017635751	0	32	-1.0	-43.23	316.89	5.61	-37.62
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635752	0	32	-1.0	-42.12	335.70	6.45	-35.67
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635753	0	32	-1.0	-44.92	318.99	5.92	-39.00
O=C([O-])C(NS(=O)(=O)C1=CC=CS1)C1=CC=C(F)C(Cl)=C1F	REAL300017635754	0	29	-1.0	-44.18	310.91	4.91	-39.27
O=C([O-])C(NS(=O)(=O)CCC1CCCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635755	0	41	-1.0	-52.49	368.44	6.95	-45.54
O=C([O-])C(NS(=O)(=O)CCC1CCCCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635756	0	44	-1.0	-52.76	384.25	7.47	-45.29
O=C([O-])C(NS(=O)(=O)C1=CNN=C1Cl)C1=CC=C(F)C(Cl)=C1F	REAL300017635757	0	29	-1.0	-47.89	300.46	2.14	-45.75
CC1=CSC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635758	0	32	-1.0	-43.56	330.29	5.54	-38.02
O=C([O-])C(NS(=O)(=O)CCOCC1CC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635759	0	39	-1.0	-44.80	368.60	5.19	-39.61
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635760	0	36	-1.0	-52.50	347.53	5.14	-47.36
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=N1	REAL300017635761	0	35	-1.0	-45.47	346.15	2.60	-42.87
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)O1	REAL300017635762	0	32	-1.0	-48.34	323.58	4.74	-43.60
C=C(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635763	0	32	-1.0	-52.96	314.28	4.78	-48.18
CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635764	0	31	-1.0	-41.05	299.56	4.29	-36.76
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC(F)=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635765	0	32	-1.0	-41.24	331.79	6.04	-35.20
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)S1	REAL300017635766	0	32	-1.0	-53.67	332.63	5.67	-48.00
CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635767	0	34	-1.0	-52.85	324.82	5.10	-47.75
CCN(CC)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635768	0	36	-1.0	-42.29	331.68	4.65	-37.64
O=C([O-])C(NS(=O)(=O)N1CCCCCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635769	0	40	-1.0	-41.65	349.32	5.99	-35.66
O=C([O-])C(NS(=O)(=O)C1=CC=CN=C1Cl)C1=CC=C(F)C(Cl)=C1F	REAL300017635770	0	31	-1.0	-44.30	321.99	4.45	-39.85
O=C([O-])C(NS(=O)(=O)N1CCOCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635771	0	35	-1.0	-39.57	315.11	2.34	-37.23
O=C([O-])C(NS(=O)(=O)CC1=CC=C(F)C=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635772	0	35	-1.0	-53.37	348.15	6.62	-46.75
O=C([O-])C(NS(=O)(=O)N1CCCCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635773	0	37	-1.0	-51.51	334.87	4.92	-46.59
O=C([O-])C(NS(=O)(=O)N1CCCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635774	0	34	-1.0	-52.16	320.32	4.12	-48.04
CC1=CC(F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635775	0	35	-1.0	-41.47	338.46	6.85	-34.62
CC1CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CC1	REAL300017635776	0	40	-1.0	-42.90	357.94	5.73	-37.17
CC1CC(C)CN(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C1	REAL300017635777	0	43	-1.0	-39.91	364.20	5.89	-34.02
CN(C1CCOCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635778	0	41	-1.0	-51.45	362.59	3.77	-47.68
O=C([O-])C(NS(=O)(=O)N1CC2CCC1C2)C1=CC=C(F)C(Cl)=C1F	REAL300017635779	0	38	-1.0	-53.05	344.36	5.35	-47.70
CC(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=N1	REAL300017635780	0	38	-1.0	-50.62	363.58	4.95	-45.67
CC(C)N1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635781	0	38	-1.0	-53.58	364.43	6.30	-47.28
CC(C)C1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=CN1	REAL300017635782	0	38	-1.0	-54.50	353.79	5.08	-49.42
CC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CC1	REAL300017635783	0	32	-1.0	-54.70	304.13	4.69	-50.01
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C(N)=NO1	REAL300017635784	0	33	-1.0	-45.85	326.52	3.28	-42.57
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=N1	REAL300017635785	0	34	-1.0	-53.94	334.65	4.63	-49.31
CC(C)(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635786	0	37	-1.0	-53.11	333.46	5.69	-47.42
CC1CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CCO1	REAL300017635787	0	39	-1.0	-52.98	355.74	4.57	-48.41
CCOCC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635788	0	41	-1.0	-41.74	373.42	5.18	-36.56
CC(CC#N)N(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635789	0	37	-1.0	-47.33	349.86	4.93	-42.40
CCN(CC(C)C#N)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635790	0	40	-1.0	-51.53	366.75	5.95	-45.58
CC(C#N)CN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635791	0	37	-1.0	-61.48	351.16	5.03	-56.45
O=C([O-])C(NS(=O)(=O)CCC1=CC=CS1)C1=CC=C(F)C(Cl)=C1F	REAL300017635792	0	35	-1.0	-53.37	353.46	6.43	-46.94
N#CCC1(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CC1	REAL300017635793	0	36	-1.0	-48.81	347.94	6.07	-42.74
CN1N=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635794	0	31	-1.0	-49.90	313.63	2.25	-47.65
CC(C(=O)N(C)C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635795	0	38	-1.0	-60.18	354.28	3.84	-56.34
O=C([O-])C(NS(=O)(=O)CCC1CCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635796	0	38	-1.0	-52.91	351.80	6.36	-46.55
CC(C)(C)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635797	0	43	-1.0	-53.09	380.29	6.75	-46.34
COCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CC1	REAL300017635798	0	36	-1.0	-52.51	343.14	4.84	-47.67
CC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635799	0	35	-1.0	-53.00	340.93	6.86	-46.14
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C(F)=C1	REAL300017635800	0	35	-1.0	-52.27	335.28	6.28	-45.99
CC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635801	0	35	-1.0	-52.46	332.76	6.64	-45.82
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=CN1C	REAL300017635802	0	35	-1.0	-53.64	340.26	4.74	-48.90
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=CC=C1F	REAL300017635803	0	35	-1.0	-49.49	344.75	6.54	-42.95
CC1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635804	0	35	-1.0	-48.21	331.89	6.21	-42.00
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=C1F	REAL300017635805	0	35	-1.0	-54.53	345.00	6.53	-48.00
CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635806	0	32	-1.0	-53.85	323.00	5.00	-48.85
O=C([O-])C(NS(=O)(=O)C1=CC=CN=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635807	0	31	-1.0	-43.44	313.61	4.16	-39.28
N#CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635808	0	32	-1.0	-59.12	324.18	4.83	-54.29
CC1CCCCN1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635809	0	40	-1.0	-42.32	347.15	5.94	-36.38
CC(C)N(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635810	0	36	-1.0	-51.85	330.43	4.23	-47.62
CCCN(CCC)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635811	0	42	-1.0	-42.54	375.39	6.17	-36.37
CN(CCC#N)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635812	0	34	-1.0	-50.37	339.33	4.56	-45.81
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635813	0	38	-1.0	-53.33	363.23	7.34	-45.99
CCCCN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635814	0	39	-1.0	-41.94	358.81	5.53	-36.41
O=C([O-])C(NS(=O)(=O)C1CC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635815	0	29	-1.0	-42.23	288.79	4.40	-37.83
CC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635816	0	35	-1.0	-47.66	339.01	6.84	-40.82
COCCC(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635817	0	38	-1.0	-41.30	353.62	4.26	-37.04
CCC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635818	0	37	-1.0	-41.07	333.52	5.69	-35.38
CCN(CC1CC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635819	0	40	-1.0	-42.34	364.63	6.26	-36.08
CCCN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635820	0	38	-1.0	-51.06	364.05	6.61	-44.45
N#CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=CS1	REAL300017635821	0	30	-1.0	-49.59	330.26	5.33	-44.26
O=C([O-])C(NS(=O)(=O)CC1CCC(F)CC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635822	0	41	-1.0	-43.97	365.03	7.04	-36.93
CCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CC1	REAL300017635823	0	35	-1.0	-42.33	326.06	5.72	-36.61
CCC1CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CC1	REAL300017635824	0	43	-1.0	-42.45	376.24	6.40	-36.05
COC1CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CC1	REAL300017635825	0	41	-1.0	-41.40	369.62	4.15	-37.25
CCOC(CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F)C1CC1	REAL300017635826	0	42	-1.0	-43.47	378.31	6.13	-37.34
CC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)N1C	REAL300017635827	0	35	-1.0	-55.29	338.20	4.88	-50.41
CC(C)(C)CCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635828	0	40	-1.0	-52.65	358.55	6.03	-46.62
O=C([O-])C(NS(=O)(=O)CC1CCOCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635829	0	39	-1.0	-52.84	351.85	4.56	-48.28
CC1CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C1	REAL300017635830	0	37	-1.0	-51.64	341.47	4.69	-46.95
COC(=O)C(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635831	0	37	-1.0	-53.42	353.00	5.05	-48.37
CCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635832	0	38	-1.0	-43.93	359.62	7.30	-36.63
CC(C)CN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635833	0	39	-1.0	-48.93	356.10	5.52	-43.41
CCN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635834	0	33	-1.0	-41.25	315.53	4.03	-37.22
CN(C1CCCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635835	0	40	-1.0	-50.56	355.18	5.67	-44.89
CCCN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635836	0	36	-1.0	-48.18	339.97	4.82	-43.36
CC1(C)CN(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CCO1	REAL300017635837	0	41	-1.0	-43.83	365.17	4.12	-39.71
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1F)C1=CC=C(F)C(Cl)=C1F	REAL300017635838	0	35	-1.0	-46.68	346.61	6.62	-40.06
CC1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)S1	REAL300017635839	0	34	-1.0	-44.22	341.95	4.46	-39.76
O=C([O-])C(NS(=O)(=O)CC1CCCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635840	0	38	-1.0	-53.31	345.23	6.24	-47.07
O=C([O-])C(NS(=O)(=O)CC1CCCCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635841	0	41	-1.0	-53.45	360.96	6.94	-46.51
COC(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635842	0	37	-1.0	-58.57	358.78	5.13	-53.44
CCOC(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635843	0	40	-1.0	-58.34	380.65	6.04	-52.30
CC1=NNC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635844	0	32	-1.0	-49.27	322.38	2.91	-46.36
CN(C1CC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635845	0	34	-1.0	-41.56	317.76	4.37	-37.19
CCOC(=O)CCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635846	0	37	-1.0	-47.62	355.38	5.26	-42.36
CC1=CC=CC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635847	0	38	-1.0	-55.04	363.15	7.22	-47.82
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(F)=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635848	0	35	-1.0	-43.45	344.40	6.61	-36.84
CC1=CC=CC=C1CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635849	0	38	-1.0	-44.05	353.78	7.12	-36.93
COCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635850	0	32	-1.0	-44.32	315.07	2.64	-41.68
O=C([O-])C(NS(=O)(=O)C1=CN=CC(F)=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635851	0	31	-1.0	-48.56	319.50	4.11	-44.45
O=C([O-])C(NS(=O)(=O)CCC1CCCO1)C1=CC=C(F)C(Cl)=C1F	REAL300017635853	0	39	-1.0	-47.36	359.41	4.68	-42.68
N#CC1(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CC1	REAL300017635854	0	33	-1.0	-45.63	329.96	5.28	-40.35
CC1(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CCCCC1	REAL300017635855	0	44	-1.0	-52.95	367.81	7.34	-45.61
CCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635856	0	38	-1.0	-51.76	349.04	7.63	-44.13
O=C([O-])C(NS(=O)(=O)C1=CC=CO1)C1=CC=C(F)C(Cl)=C1F	REAL300017635857	0	29	-1.0	-45.65	299.41	3.89	-41.76
CCOCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635858	0	35	-1.0	-43.43	333.58	3.55	-39.88
CS(=O)(=O)CCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635859	0	34	-1.0	-56.75	345.04	1.14	-55.61
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)N=C1C	REAL300017635860	0	38	-1.0	-56.18	359.03	6.20	-49.98
O=C([O-])C(NS(=O)(=O)C1=CC=CC(F)=C1F)C1=CC=C(F)C(Cl)=C1F	REAL300017635861	0	32	-1.0	-51.99	318.31	5.63	-46.36
O=C([O-])C(NS(=O)(=O)CC1CCCO1)C1=CC=C(F)C(Cl)=C1F	REAL300017635862	0	36	-1.0	-56.07	337.67	4.12	-51.95
O=C([O-])C(NS(=O)(=O)CC1CCCCO1)C1=CC=C(F)C(Cl)=C1F	REAL300017635863	0	39	-1.0	-56.78	355.91	4.86	-51.92
CC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635864	0	34	-1.0	-40.95	315.28	5.05	-35.90
O=C([O-])C(NS(=O)(=O)CC1CC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635865	0	32	-1.0	-53.37	313.42	5.09	-48.28
N#CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=N1	REAL300017635866	0	32	-1.0	-52.09	334.24	4.31	-47.78
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=N1	REAL300017635867	0	35	-1.0	-55.55	344.98	4.42	-51.13
CC(C)CCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635868	0	37	-1.0	-42.28	341.97	5.65	-36.63
CC(C1CC1)N(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635869	0	40	-1.0	-42.89	364.49	5.98	-36.91
CN1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635870	0	32	-1.0	-48.80	314.75	3.43	-45.37
O=C([O-])C(NS(=O)(=O)CC1CCOC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635871	0	36	-1.0	-53.98	336.30	3.68	-50.30
CCCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635872	0	37	-1.0	-52.78	346.32	5.88	-46.90
COCCN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635873	0	37	-1.0	-49.86	349.00	3.21	-46.65
CN(CC1CC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635874	0	37	-1.0	-42.06	349.29	5.54	-36.52
CCC(CC)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635875	0	37	-1.0	-41.23	324.66	5.96	-35.27
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C(C)O1	REAL300017635876	0	35	-1.0	-45.60	342.21	5.48	-40.12
O=C([O-])C(NS(=O)(=O)C1=CN=C2CCCN12)C1=CC=C(F)C(Cl)=C1F	REAL300017635877	0	36	-1.0	-52.97	345.48	5.21	-47.76
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)SC=C1	REAL300017635878	0	32	-1.0	-53.20	327.00	5.38	-47.82
O=C([O-])C(NS(=O)(=O)C1CCOC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635879	0	33	-1.0	-41.96	313.15	2.92	-39.04
C=CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635880	0	32	-1.0	-41.11	312.37	4.86	-36.25
CC(C)CC(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635881	0	40	-1.0	-41.85	358.87	6.48	-35.37
N#CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)S1	REAL300017635882	0	30	-1.0	-40.62	329.22	5.44	-35.18
COC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635883	0	35	-1.0	-51.74	342.67	3.30	-48.44
COCC(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635884	0	35	-1.0	-51.72	334.42	3.46	-48.26
O=C([O-])C(NS(=O)(=O)CCCF)C1=CC=C(F)C(Cl)=C1F	REAL300017635885	0	31	-1.0	-53.98	309.91	4.45	-49.53
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)SC=C1	REAL300017635886	0	33	-1.0	-57.39	339.07	4.91	-52.48
O=C([O-])C(NS(=O)(=O)CC1CCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635887	0	35	-1.0	-41.36	326.30	5.61	-35.75
O=C([O-])C(NS(=O)(=O)CCCC(F)(F)F)C1=CC=C(F)C(Cl)=C1F	REAL300017635888	0	34	-1.0	-54.54	342.95	5.48	-49.06
O=C([O-])C(NS(=O)(=O)NC1CC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635889	0	31	-1.0	-50.61	310.05	2.97	-47.64
CC1=C(C)SC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635890	0	35	-1.0	-45.98	351.94	6.30	-39.68
CC1=CC=CC(F)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635891	0	35	-1.0	-52.87	332.65	6.63	-46.24
CC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)S1	REAL300017635892	0	31	-1.0	-51.12	327.75	3.69	-47.43
CCC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)S1	REAL300017635893	0	34	-1.0	-50.65	349.23	4.44	-46.21
O=C([O-])C(NS(=O)(=O)C1=CN=CC(Cl)=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635894	0	31	-1.0	-48.67	329.84	4.53	-44.14
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1F	REAL300017635895	0	35	-1.0	-49.15	330.87	6.20	-42.95
CC1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635896	0	35	-1.0	-44.98	346.45	6.67	-38.31
O=C([O-])C(NS(=O)(=O)CCC1CC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635897	0	35	-1.0	-52.84	334.94	5.88	-46.96
COCCOCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635898	0	39	-1.0	-46.14	367.21	2.81	-43.33
O=C([O-])C(NS(=O)(=O)C1=CSC=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635899	0	29	-1.0	-50.30	309.40	4.77	-45.53
O=C([O-])C(NS(=O)(=O)C1=COC=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635900	0	29	-1.0	-50.80	301.35	3.75	-47.05
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)N(C)N=C1	REAL300017635901	0	35	-1.0	-43.91	332.06	4.34	-39.57
N#CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)O1	REAL300017635902	0	30	-1.0	-44.41	320.64	4.44	-39.97
O=C([O-])C(NS(=O)(=O)CCCCF)C1=CC=C(F)C(Cl)=C1F	REAL300017635903	0	34	-1.0	-53.67	331.65	5.20	-48.47
CC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635904	0	35	-1.0	-51.35	342.98	4.28	-47.07
COC(=O)C(C)(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635905	0	40	-1.0	-47.05	363.13	5.75	-41.30
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=C1	REAL300017635906	0	38	-1.0	-55.08	363.37	7.20	-47.88
N#CC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635907	0	32	-1.0	-48.97	333.94	4.43	-44.54
O=C([O-])C(NS(=O)(=O)CC12CCC(CC1)C2)C1=CC=C(F)C(Cl)=C1F	REAL300017635908	0	42	-1.0	-43.21	365.89	7.28	-35.93
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=NN1C	REAL300017635909	0	35	-1.0	-46.74	340.23	4.13	-42.61
CCN(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F)C(C)C	REAL300017635910	0	38	-1.0	-57.66	329.77	8.35	-49.31
O=C([O-])C(NC(=O)N1CCOCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635911	0	34	-1.0	-55.54	307.47	5.66	-49.88
CC(C)(CCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F)C1CC1	REAL300017635912	0	44	-1.0	-42.36	381.83	7.31	-35.05
CC(F)(F)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635913	0	37	-1.0	-56.65	357.67	5.97	-50.68
O=C([O-])C(NS(=O)(=O)CC1(F)CC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635914	0	32	-1.0	-43.53	318.32	5.18	-38.35
O=C([O-])C(NC(=O)OC1CCCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635915	0	35	-1.0	-51.50	319.95	7.50	-44.00
O=C([O-])C(NC(=O)OCC(F)(F)F)C1=CC=C(F)C(Cl)=C1F	REAL300017635916	0	28	-1.0	-47.02	295.44	5.94	-41.08
O=C([O-])C(NC(=O)OC1CCCCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635917	0	38	-1.0	-51.94	337.74	8.13	-43.81
O=C([O-])C(NC(=O)OCC1CCCO1)C1=CC=C(F)C(Cl)=C1F	REAL300017635918	0	36	-1.0	-52.38	332.93	5.91	-46.47
O=C([O-])C(NC(=O)OC1CCOCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635919	0	36	-1.0	-50.73	328.43	5.81	-44.92
CC(C)CC(C)OC(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635920	0	40	-1.0	-52.41	355.57	8.26	-44.15
O=C([O-])C(NC(=O)OCC1CC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635921	0	32	-1.0	-50.14	307.54	7.06	-43.08
O=C([O-])C(NC(=O)OC1CCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635922	0	32	-1.0	-51.84	302.26	6.86	-44.98
O=C([O-])C(NC(=O)OCC1CCCCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635923	0	41	-1.0	-50.24	359.09	8.85	-41.39
O=C([O-])C(NC(=O)OC1CCOC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635924	0	33	-1.0	-50.62	310.65	4.89	-45.73
O=C([O-])C(NC(=O)OCCCF)C1=CC=C(F)C(Cl)=C1F	REAL300017635925	0	31	-1.0	-50.14	303.94	6.43	-43.71
O=C([O-])C(NS(=O)(=O)CC1(F)CCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635926	0	35	-1.0	-54.12	335.24	5.69	-48.43
CC1=CSC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635927	0	35	-1.0	-49.34	340.40	6.46	-42.88
CCN1N=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635928	0	34	-1.0	-46.20	324.46	2.91	-43.29
O=C([O-])C(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635929	0	41	-1.0	-52.27	362.55	5.75	-46.52
O=C([O-])C(NC(=O)CC1=CC=CC=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635930	0	34	-1.0	-55.84	323.22	8.92	-46.92
CC1(C)CCCN(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C1	REAL300017635931	0	43	-1.0	-51.34	372.39	6.22	-45.12
O=C([O-])C(NS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635932	0	38	-1.0	-51.63	344.75	5.21	-46.42
CC1=CC=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635933	0	38	-1.0	-53.08	348.90	7.60	-45.48
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)N=CN1	REAL300017635934	0	32	-1.0	-51.60	315.84	3.95	-47.65
O=C([O-])C(NS(=O)(=O)C1=CC=C(CF)C=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635935	0	35	-1.0	-44.41	346.96	6.74	-37.67
CC1=NN(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635936	0	35	-1.0	-49.80	341.00	4.09	-45.71
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1C	REAL300017635937	0	38	-1.0	-44.62	349.81	7.36	-37.26
CN(C1CCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635938	0	37	-1.0	-42.17	338.82	5.01	-37.16
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C=CS1	REAL300017635939	0	33	-1.0	-42.61	327.68	4.47	-38.14
CN(C(C)(C)C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635940	0	39	-1.0	-51.88	334.82	4.78	-47.10
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)O1	REAL300017635941	0	35	-1.0	-48.26	345.06	5.52	-42.74
CCC(C)OC(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635942	0	34	-1.0	-51.47	316.64	7.06	-44.41
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)S1	REAL300017635943	0	33	-1.0	-44.37	342.77	4.36	-40.01
O=C([O-])C(NS(=O)(=O)C1=CN(CCF)N=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635944	0	35	-1.0	-54.45	351.81	4.52	-49.93
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1CF)C1=CC=C(F)C(Cl)=C1F	REAL300017635945	0	35	-1.0	-53.80	339.58	7.00	-46.80
CC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635946	0	34	-1.0	-53.56	334.77	4.64	-48.92
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)O1)C1=CC=C(F)C(Cl)=C1F	REAL300017635947	0	29	-1.0	-45.85	318.72	4.53	-41.32
O=C([O-])C(NC(=O)N1C[C@@H]2CCCC[C@@H]2C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635948	0	43	-1.0	-58.19	362.73	9.43	-48.76
COC1CN(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C1	REAL300017635949	0	34	-1.0	-57.72	320.46	5.23	-52.49
CCN(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F)C1=CC=CC=C1	REAL300017635950	0	39	-1.0	-57.12	354.99	10.32	-46.80
O=C([O-])C(NC(=O)N1CCOC1=O)C1=CC=C(F)C(Cl)=C1F	REAL300017635951	0	30	-1.0	-66.21	292.78	6.48	-59.73
CN(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F)C1=CC=CC=C1	REAL300017635952	0	36	-1.0	-59.47	335.09	9.46	-50.01
O=C([O-])C(NC(=O)N1CC2CC1C2)C1=CC=C(F)C(Cl)=C1F	REAL300017635953	0	34	-1.0	-59.52	310.10	7.72	-51.80
O=C([O-])C(NS(=O)(=O)N1CC2CC1C2)C1=CC=C(F)C(Cl)=C1F	REAL300017635954	0	35	-1.0	-52.94	331.00	4.81	-48.13
O=C([O-])C(NC(=O)N1CCCC1=O)C1=CC=C(F)C(Cl)=C1F	REAL300017635955	0	32	-1.0	-68.52	301.92	7.79	-60.73
CC1=COC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)=C1	REAL300017635956	0	32	-1.0	-53.70	323.81	4.56	-49.14
O=C([O-])C(NC(=O)N1CCCC2=CC=CC=C21)C1=CC=C(F)C(Cl)=C1F	REAL300017635957	0	40	-1.0	-60.27	349.77	10.41	-49.86
O=C([O-])C(NC(=O)N1CCC2=CC=CC=C2C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635958	0	40	-1.0	-55.31	355.07	10.15	-45.16
CCN(CC)C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635959	0	35	-1.0	-57.80	318.95	7.95	-49.85
CCN(C)C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635960	0	32	-1.0	-57.18	297.14	6.95	-50.23
O=C([O-])C(NC(=O)N1CCC(F)(F)CC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635961	0	36	-1.0	-53.14	327.74	8.13	-45.01
CC1CCN(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CC1	REAL300017635962	0	39	-1.0	-56.77	337.26	8.63	-48.14
CC1CCCC(C)N1C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635963	0	42	-1.0	-57.02	346.63	9.21	-47.81
CCCCN(C)C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635964	0	38	-1.0	-56.94	339.90	8.58	-48.36
CC1CCCN(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C1	REAL300017635965	0	39	-1.0	-57.05	337.00	8.67	-48.38
CC1CCCCN1C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635966	0	39	-1.0	-56.11	330.86	8.61	-47.50
O=C([O-])C(NC(=O)N1CC2=CC=CC=C2C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635967	0	37	-1.0	-56.69	341.56	9.19	-47.50
CN(CC1=CC=CC=C1)C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635968	0	39	-1.0	-58.95	356.14	9.96	-48.99
COC(=O)C1CCN(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CC1	REAL300017635969	0	42	-1.0	-60.24	370.75	8.71	-51.53
O=C([O-])C(NC(=O)N1CCSCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635970	0	34	-1.0	-54.36	316.70	7.86	-46.50
CC(C)N(C)C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635971	0	35	-1.0	-57.37	312.49	7.48	-49.89
CN(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F)C1CCCC1	REAL300017635972	0	39	-1.0	-57.24	335.92	8.76	-48.48
CCCN(C)C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635973	0	35	-1.0	-57.81	317.80	7.73	-50.08
CC(C)CN(C)C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635974	0	38	-1.0	-56.45	332.81	8.10	-48.35
O=C([O-])C(NC(=O)N1CCS(=O)(=O)CC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635975	0	36	-1.0	-59.00	335.42	4.18	-54.82
CN(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F)C1CCOCC1	REAL300017635976	0	40	-1.0	-56.48	345.42	7.01	-49.47
CN(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F)C1CCS(=O)(=O)C1	REAL300017635977	0	39	-1.0	-63.55	355.47	4.69	-58.86
CN(CC(F)(F)F)C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635978	0	32	-1.0	-55.38	312.75	7.25	-48.13
CN(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F)C1=CC=C(F)C=C1	REAL300017635979	0	36	-1.0	-56.65	341.27	9.59	-47.06
CCC(C)(C)N(C)C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635980	0	41	-1.0	-57.06	339.86	8.28	-48.78
CC1(C)CCCN(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C1	REAL300017635981	0	42	-1.0	-57.28	352.05	9.35	-47.93
COC(=O)[C@@H]1CCCN1C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635982	0	39	-1.0	-67.74	355.58	8.05	-59.69
C[C@@H]1CN(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C[C@H](C)O1	REAL300017635983	0	40	-1.0	-56.48	350.10	7.06	-49.42
O=C([O-])C(NC(=O)N1CCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635984	0	30	-1.0	-59.12	286.97	6.26	-52.86
CN(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F)C1CC1	REAL300017635985	0	33	-1.0	-57.06	303.19	7.48	-49.58
O=C([O-])C(NC(=O)N1CCC=C(Cl)C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635986	0	34	-1.0	-54.19	325.00	8.48	-45.71
O=C([O-])C(NC(=O)N1CC2CC2C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635987	0	34	-1.0	-57.03	311.80	7.96	-49.07
O=C([O-])C(NC(=O)N1C[C@@H]2CCC[C@@H]2C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635988	0	40	-1.0	-57.20	342.90	8.78	-48.42
CN(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F)C1CCC1	REAL300017635989	0	36	-1.0	-57.58	318.69	7.92	-49.66
O=C([O-])C(NC(=O)N1C[C@@H]2CC[C@@H]2C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635990	0	37	-1.0	-59.09	326.85	8.33	-50.76
COC(=O)C1CN(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CCO1	REAL300017635991	0	40	-1.0	-56.37	362.93	7.11	-49.26
O=C([O-])C(NC(=O)OCC(F)F)C1=CC=C(F)C(Cl)=C1F	REAL300017635992	0	28	-1.0	-51.82	288.88	5.79	-46.03
CCCCCOC(=O)NC(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635993	0	37	-1.0	-50.00	339.52	7.89	-42.11
O=C([O-])C(NC(=O)OCC1=CC=CN=C1)C1=CC=C(F)C(Cl)=C1F	REAL300017635994	0	34	-1.0	-51.92	330.61	6.75	-45.17
CC(=O)OC1CCN(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CC1	REAL300017635995	0	42	-1.0	-58.36	372.16	8.88	-49.48
CO[C@H]1CCN(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C1	REAL300017635996	0	37	-1.0	-58.09	335.25	6.13	-51.96
N#CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)OC=C1	REAL300017635997	0	30	-1.0	-52.96	321.31	4.35	-48.61
O=C([O-])C(NC(=O)N1CCCCC1)C1=CC=C(F)C(Cl)=C1F	REAL300017635998	0	36	-1.0	-57.30	316.16	8.09	-49.21
CC1(C)CCN(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)CC1	REAL300017635999	0	42	-1.0	-57.30	350.69	8.89	-48.41
O=C([O-])C(NC(=O)N1CCC(F)(F)C1)C1=CC=C(F)C(Cl)=C1F	REAL300017636000	0	33	-1.0	-56.84	314.95	7.26	-49.58
CC1=CC=C(CS(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1F	REAL300017643217	0	38	-1.0	-55.06	331.93	5.53	-49.53
N#CCC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643218	0	36	-1.0	-57.37	323.70	5.27	-52.10
COC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC(F)=C1F	REAL300017643219	0	38	-1.0	-54.56	347.93	4.86	-49.70
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C1	REAL300017643220	0	44	-1.0	-54.31	365.83	5.52	-48.79
O=C([O-])C1CC(CNS(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300017643221	0	50	-1.0	-52.21	370.80	5.84	-46.37
CC1=NC2=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300017643222	0	40	-1.0	-56.93	334.12	5.75	-51.18
O=C([O-])C1CC(CNS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300017643223	0	40	-1.0	-62.87	347.10	6.01	-56.86
O=C([O-])C1CC(CNS(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300017643224	0	43	-1.0	-52.45	358.61	2.64	-49.81
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643225	0	46	-1.0	-54.12	393.76	5.16	-48.96
CCCN1C=NC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643226	0	38	-1.0	-54.76	328.77	4.84	-49.92
N#CC1=CC(F)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Br	REAL300017643227	0	33	-1.0	-49.22	320.14	4.75	-44.47
N#CC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=CS1	REAL300017643228	0	30	-1.0	-51.68	281.67	2.96	-48.72
O=C([O-])C1CC(CNS(=O)(=O)CC2CCC(F)CC2)C1	REAL300017643229	0	41	-1.0	-55.08	329.78	5.28	-49.80
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1Cl	REAL300017643230	0	35	-1.0	-49.61	316.91	5.20	-44.41
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300017643231	0	38	-1.0	-56.19	329.57	5.08	-51.11
CC1=CSC(C2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C2)=N1	REAL300017643232	0	41	-1.0	-52.22	367.69	5.57	-46.65
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1F	REAL300017643233	0	38	-1.0	-56.50	350.27	5.01	-51.49
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643234	0	41	-1.0	-53.72	354.68	5.13	-48.59
CC1=C(Br)C=CC=C1CS(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643235	0	38	-1.0	-53.51	339.10	5.89	-47.62
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300017643236	0	35	-1.0	-52.43	325.09	5.32	-47.11
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300017643237	0	32	-1.0	-48.42	319.48	5.23	-43.19
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643238	0	39	-1.0	-59.33	338.24	1.56	-57.77
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643239	0	57	-1.0	-50.77	461.79	9.03	-41.74
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643240	0	47	-1.0	-55.38	391.32	6.44	-48.94
CCC1CCN(S(=O)(=O)NCC2CC(C(=O)[O-])C2)CC1	REAL300017643241	0	43	-1.0	-49.54	336.71	4.44	-45.10
O=C([O-])C1CC(CNS(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300017643242	0	38	-1.0	-53.69	333.12	5.68	-48.01
O=C([O-])C1CC(CNS(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300017643243	0	38	-1.0	-57.02	333.14	5.66	-51.36
O=C([O-])C1CC(CNS(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300017643244	0	38	-1.0	-56.01	340.26	5.99	-50.02
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643245	0	36	-1.0	-50.65	328.95	4.59	-46.06
COC1=CC2=C(C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1)C(=O)NCCC2	REAL300017643246	0	47	-1.0	-60.16	378.02	3.01	-57.15
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)S2)C1	REAL300017643247	0	43	-1.0	-54.99	372.69	4.61	-50.38
CC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300017643248	0	39	-1.0	-51.95	355.18	6.67	-45.28
COC1CCN(S(=O)(=O)NCC2CC(C(=O)[O-])C2)CC1	REAL300017643249	0	41	-1.0	-51.18	330.09	2.19	-48.99
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300017643250	0	35	-1.0	-52.13	328.32	5.43	-46.70
CCC(C)OC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643251	0	45	-1.0	-51.16	371.49	5.77	-45.39
CC(CC(F)(F)F)CS(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643252	0	37	-1.0	-57.49	317.54	4.34	-53.15
O=C([O-])C1CC(CNS(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C1	REAL300017643253	0	39	-1.0	-57.15	347.72	5.90	-51.25
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=C2)=N1	REAL300017643254	0	44	-1.0	-53.17	375.01	3.99	-49.18
COC1=CC(F)=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643255	0	36	-1.0	-51.04	308.32	3.98	-47.06
COC(=O)C1=C(C)C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)O1	REAL300017643256	0	38	-1.0	-51.06	338.89	3.47	-47.59
CCC1=NC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CN1CC1CC1	REAL300017643257	0	45	-1.0	-55.08	380.15	6.05	-49.03
CC(=O)N1CC2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C2C1	REAL300017643258	0	43	-1.0	-58.73	364.87	4.57	-54.16
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300017643259	0	35	-1.0	-50.67	321.20	3.60	-47.07
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300017643260	0	35	-1.0	-58.56	330.91	3.90	-54.66
CCCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(C)C	REAL300017643261	0	51	-1.0	-50.45	412.91	7.15	-43.30
CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300017643262	0	40	-1.0	-53.41	344.63	6.56	-46.85
CN1N=CC(C2CC2)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643263	0	39	-1.0	-50.26	327.42	3.90	-46.36
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300017643264	0	45	-1.0	-51.38	385.07	6.25	-45.13
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300017643265	0	46	-1.0	-54.40	398.93	7.45	-46.95
COC(CS(=O)(=O)NCC1CC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300017643266	0	42	-1.0	-54.23	363.26	5.22	-49.01
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C1	REAL300017643267	0	44	-1.0	-54.94	365.52	5.53	-49.41
COC(=O)NC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Cl	REAL300017643268	0	40	-1.0	-52.03	363.35	2.99	-49.04
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=CC=C12	REAL300017643269	0	44	-1.0	-52.64	372.53	6.96	-45.68
COC(=O)NC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C	REAL300017643270	0	43	-1.0	-55.36	366.18	3.19	-52.17
O=C([O-])C1CC(CNS(=O)(=O)CC2(C(F)F)CCCC2)C1	REAL300017643271	0	41	-1.0	-51.88	324.31	5.39	-46.49
CCOC1(CS(=O)(=O)NCC2CC(C(=O)[O-])C2)CCOCC1	REAL300017643272	0	46	-1.0	-53.84	359.03	2.85	-50.99
CCOC(CS(=O)(=O)NCC1CC(C(=O)[O-])C1)C1CC1	REAL300017643273	0	42	-1.0	-52.67	345.51	4.39	-48.28
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1F	REAL300017643274	0	38	-1.0	-56.59	339.95	4.55	-52.04
CC(=O)N1CCC2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=C(Cl)C=C21	REAL300017643275	0	43	-1.0	-58.65	363.70	5.28	-53.37
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643276	0	35	-1.0	-49.32	322.05	2.75	-46.57
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300017643277	0	43	-1.0	-51.82	382.08	8.20	-43.62
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643278	0	35	-1.0	-48.08	324.02	5.54	-42.54
CC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1Br	REAL300017643279	0	35	-1.0	-52.10	316.11	5.41	-46.69
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643280	0	38	-1.0	-57.24	340.30	5.30	-51.94
O=C([O-])C1CC(CNS(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300017643281	0	40	-1.0	-52.05	339.49	1.85	-50.20
COC1=CC(Br)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643282	0	36	-1.0	-50.44	332.25	4.02	-46.42
COC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017643283	0	38	-1.0	-53.06	336.99	4.84	-48.22
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643284	0	38	-1.0	-49.50	336.08	5.91	-43.59
COCCN1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=N1	REAL300017643285	0	39	-1.0	-52.90	341.20	1.71	-51.19
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643286	0	45	-1.0	-51.92	370.34	5.52	-46.40
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300017643287	0	39	-1.0	-55.90	345.81	4.64	-51.26
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1C	REAL300017643288	0	59	-1.0	-52.72	466.47	8.56	-44.16
O=C([O-])C1CC(CNS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300017643289	0	40	-1.0	-57.59	354.93	6.28	-51.31
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(F)C(Br)=C2)C1	REAL300017643290	0	32	-1.0	-52.27	309.32	4.79	-47.48
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=C(F)C=C2F)C1	REAL300017643291	0	35	-1.0	-53.32	316.94	4.90	-48.42
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300017643292	0	39	-1.0	-65.58	346.10	1.96	-63.62
CCN1C(=O)OC2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C21	REAL300017643293	0	41	-1.0	-57.09	357.38	5.06	-52.03
CC1=C(Br)C=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643294	0	35	-1.0	-49.76	314.90	5.39	-44.37
COCC1=CC=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643295	0	39	-1.0	-50.43	327.98	4.22	-46.21
COC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1Br	REAL300017643296	0	36	-1.0	-50.35	331.38	4.07	-46.28
CS(=O)(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(Cl)S1	REAL300017643297	0	35	-1.0	-56.18	339.68	0.79	-55.39
O=C([O-])C1CC(CNS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300017643298	0	35	-1.0	-55.43	325.43	3.16	-52.27
CC1(C)CC2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C2O1	REAL300017643299	0	43	-1.0	-51.69	358.89	5.33	-46.36
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1F	REAL300017643300	0	40	-1.0	-55.84	360.41	0.87	-54.97
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1F	REAL300017643301	0	43	-1.0	-54.84	381.88	1.76	-53.08
CCC(=O)NCC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1OC	REAL300017643302	0	49	-1.0	-56.32	412.37	3.26	-53.06
CCC1=CC=C(CS(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643303	0	41	-1.0	-56.12	348.96	6.28	-49.84
COC1=CC=C(Br)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643304	0	36	-1.0	-51.84	327.39	4.14	-47.70
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300017643305	0	47	-1.0	-55.00	396.07	4.56	-50.44
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643306	0	41	-1.0	-59.09	364.48	2.54	-56.55
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C1	REAL300017643307	0	34	-1.0	-50.46	329.73	4.00	-46.46
CC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1Br	REAL300017643308	0	37	-1.0	-52.48	340.52	5.21	-47.27
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643309	0	37	-1.0	-57.10	324.29	4.57	-52.53
N#CC1=CC(Br)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643310	0	33	-1.0	-50.89	323.58	5.10	-45.79
CCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Br	REAL300017643311	0	39	-1.0	-50.85	353.23	4.99	-45.86
O=C([O-])C1CC(CNS(=O)(=O)CCNC(=O)OCC2=CC=CC=C2)C1	REAL300017643312	0	46	-1.0	-61.29	399.57	3.55	-57.74
O=C([O-])C1CC(CNS(=O)(=O)CC2=C(F)C=CC=C2F)C1	REAL300017643313	0	35	-1.0	-57.58	316.70	4.90	-52.68
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643314	0	45	-1.0	-51.23	392.39	5.70	-45.53
CC1(C)CN(S(=O)(=O)NCC2CC(C(=O)[O-])C2)CCO1	REAL300017643315	0	41	-1.0	-49.93	327.63	2.30	-47.63
COC1=C(C)C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C	REAL300017643316	0	42	-1.0	-51.05	355.04	4.98	-46.07
CC(C)CCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643317	0	48	-1.0	-50.86	393.37	6.42	-44.44
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300017643318	0	46	-1.0	-50.88	376.10	6.32	-44.56
CC(C)COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643319	0	45	-1.0	-50.94	374.41	5.82	-45.12
CCCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643320	0	42	-1.0	-51.03	354.30	5.12	-45.91
COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Cl	REAL300017643321	0	36	-1.0	-52.43	326.97	3.95	-48.48
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300017643322	0	36	-1.0	-54.27	337.59	4.25	-50.02
COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C	REAL300017643323	0	39	-1.0	-51.63	331.03	4.14	-47.49
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300017643324	0	45	-1.0	-51.21	370.80	5.69	-45.52
COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C)=C1	REAL300017643325	0	39	-1.0	-50.83	325.65	4.29	-46.54
COCCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643326	0	43	-1.0	-53.48	366.43	3.59	-49.89
COCCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C	REAL300017643327	0	46	-1.0	-53.38	386.50	4.33	-49.05
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=CC=C2F)C1	REAL300017643328	0	35	-1.0	-55.77	310.52	4.85	-50.92
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643329	0	43	-1.0	-59.94	372.21	3.76	-56.18
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300017643330	0	47	-1.0	-55.48	387.57	3.60	-51.88
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643331	0	42	-1.0	-60.86	353.61	3.95	-56.91
CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(Br)=C1	REAL300017643332	0	35	-1.0	-51.53	319.34	5.49	-46.04
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643333	0	38	-1.0	-57.29	343.82	1.68	-55.61
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643334	0	38	-1.0	-54.25	342.20	6.13	-48.12
N#CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Cl	REAL300017643335	0	33	-1.0	-52.36	317.66	4.90	-47.46
CC1=CC(Br)=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643336	0	35	-1.0	-48.41	318.31	5.50	-42.91
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1C	REAL300017643337	0	40	-1.0	-58.65	330.73	6.98	-51.67
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643338	0	38	-1.0	-53.49	337.84	4.81	-48.68
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643339	0	41	-1.0	-57.56	357.72	2.42	-55.14
N#CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300017643340	0	36	-1.0	-53.72	327.05	6.07	-47.65
N#CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1Cl	REAL300017643341	0	33	-1.0	-51.39	317.69	4.90	-46.49
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643342	0	48	-1.0	-55.63	393.67	5.86	-49.77
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300017643343	0	44	-1.0	-54.68	390.48	1.95	-52.73
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643344	0	40	-1.0	-56.03	358.07	0.26	-55.77
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643345	0	42	-1.0	-58.12	377.56	3.02	-55.10
COC(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)O1	REAL300017643346	0	35	-1.0	-51.26	320.99	2.89	-48.37
CC1=NC(C)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643347	0	34	-1.0	-50.62	305.32	2.37	-48.25
O=C([O-])C1CC(CNS(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300017643348	1	34	-1.0	-59.91	306.84	5.80	-54.11
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300017643349	0	35	-1.0	-52.99	338.67	5.83	-47.16
CCOC(=O)C1=C(C)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(C)N1	REAL300017643350	0	45	-1.0	-52.45	377.36	4.77	-47.68
O=C([O-])C1CC(CNS(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300017643351	0	32	-1.0	-54.54	299.17	4.95	-49.59
CC1=NC(C2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)S2)=CS1	REAL300017643352	0	38	-1.0	-52.13	360.90	4.65	-47.48
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300017643353	0	52	-1.0	-50.94	416.03	7.71	-43.23
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(C(=O)NCC(F)(F)F)=CC=C2)C1	REAL300017643354	0	42	-1.0	-57.89	378.72	3.67	-54.22
COC(=O)C1=CC=C(C)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643355	0	41	-1.0	-53.42	351.75	5.54	-47.88
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C1	REAL300017643356	0	34	-1.0	-55.46	315.57	6.11	-49.35
COC1=CC(F)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1OC	REAL300017643357	0	40	-1.0	-51.58	338.41	3.06	-48.52
COC1=CC(C)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1OC	REAL300017643358	0	43	-1.0	-51.76	355.72	4.09	-47.67
O=C([O-])C1CC(CNS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300017643359	1	34	-1.0	-52.57	331.29	6.80	-45.77
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643360	0	40	-1.0	-56.45	335.02	5.88	-50.57
O=C([O-])C1CC(CNS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C1	REAL300017643361	0	35	-1.0	-54.25	320.97	5.00	-49.25
CN1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(N)=O	REAL300017643362	0	37	-1.0	-55.65	323.70	0.24	-55.41
CC1=CC(Cl)=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643363	0	35	-1.0	-48.48	313.75	5.39	-43.09
CCOC(=O)C1CCCN1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643364	0	43	-1.0	-55.36	356.91	4.49	-50.87
CNC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CN1C	REAL300017643365	0	40	-1.0	-55.85	345.64	1.73	-54.12
COC1=CC(C)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C)=C1	REAL300017643366	0	42	-1.0	-50.31	337.01	4.89	-45.42
O=C([O-])C1CC(CNS(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)C1	REAL300017643367	0	40	-1.0	-54.19	342.88	3.33	-50.86
COC(=O)C1=CC=C(CS(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643368	0	41	-1.0	-59.84	360.88	5.50	-54.34
COC(=O)C1CCN(S(=O)(=O)NCC2CC(C(=O)[O-])C2)CC1	REAL300017643369	0	43	-1.0	-54.92	352.37	3.81	-51.11
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C1	REAL300017643370	0	43	-1.0	-54.30	356.92	4.23	-50.07
COC(=O)C1=CC=CC(CS(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643371	0	41	-1.0	-58.08	360.02	5.47	-52.61
CCOC(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)O1	REAL300017643372	0	38	-1.0	-51.00	342.86	3.81	-47.19
COC(=O)CCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643373	0	45	-1.0	-53.95	388.26	5.17	-48.78
COC1=CC(C)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C	REAL300017643374	0	42	-1.0	-50.66	345.72	5.03	-45.63
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C3COC(=O)C3=C2)C1	REAL300017643375	0	36	-1.0	-62.68	320.68	4.49	-58.19
CCOC(=O)CCCS(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643376	0	40	-1.0	-61.54	344.99	4.33	-57.21
O=C([O-])C1CC(CNS(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300017643377	0	35	-1.0	-53.40	319.16	6.24	-47.16
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300017643378	0	34	-1.0	-55.24	320.14	6.20	-49.04
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643379	0	37	-1.0	-59.57	316.34	6.47	-53.10
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)C1	REAL300017643380	0	34	-1.0	-50.25	326.14	5.50	-44.75
O=C([O-])C1CC(CNS(=O)(=O)C2=C(Br)C=CS2)C1	REAL300017643381	0	29	-1.0	-50.47	289.60	3.51	-46.96
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC3=C2COC3=O)C1	REAL300017643382	0	36	-1.0	-53.98	319.27	4.45	-49.53
CC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300017643383	0	40	-1.0	-51.72	327.40	5.28	-46.44
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300017643384	0	34	-1.0	-58.08	317.79	3.47	-54.61
O=C([O-])C1CC(CNS(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)C1	REAL300017643385	0	40	-1.0	-53.67	339.50	3.04	-50.63
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300017643386	0	31	-1.0	-48.01	299.66	2.88	-45.13
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C1	REAL300017643387	0	34	-1.0	-49.74	307.94	4.52	-45.22
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)C1	REAL300017643388	0	34	-1.0	-51.71	325.87	5.22	-46.49
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643389	0	41	-1.0	-56.37	359.05	2.52	-53.85
CCN1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300017643390	0	37	-1.0	-60.39	331.46	4.98	-55.41
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300017643391	0	34	-1.0	-60.77	314.62	5.43	-55.34
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C1	REAL300017643392	0	34	-1.0	-49.78	316.08	4.83	-44.95
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300017643393	0	39	-1.0	-53.23	352.37	4.78	-48.45
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300017643394	0	34	-1.0	-54.88	320.15	6.20	-48.68
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300017643395	0	46	-1.0	-52.47	392.71	7.37	-45.10
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(F)=C1	REAL300017643396	0	40	-1.0	-56.00	353.23	0.56	-55.44
CCC(=O)C1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643397	0	40	-1.0	-59.03	344.54	5.36	-53.67
CCOC(=O)N1CCN(S(=O)(=O)NCC2CC(C(=O)[O-])C2)CC1	REAL300017643398	0	45	-1.0	-55.19	369.27	2.90	-52.29
COC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C2=CC=C(Cl)N=C2C=C1	REAL300017643399	0	41	-1.0	-53.63	354.76	5.09	-48.54
O=C([O-])C1CC(CNS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300017643400	0	42	-1.0	-53.93	367.43	5.66	-48.27
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300017643401	0	35	-1.0	-62.98	309.64	3.29	-59.69
CC(C)CCN(CCC(C)C)S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643402	0	54	-1.0	-52.20	414.53	6.84	-45.36
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643403	0	40	-1.0	-57.25	355.02	0.81	-56.44
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300017643404	0	35	-1.0	-54.26	311.61	4.89	-49.37
CS(=O)(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1F	REAL300017643405	0	38	-1.0	-56.99	346.55	1.63	-55.36
CCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300017643406	0	45	-1.0	-52.70	372.63	6.73	-45.97
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643407	0	42	-1.0	-52.91	343.32	5.44	-47.47
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300017643408	0	37	-1.0	-63.16	329.74	4.28	-58.88
O=C([O-])C1CC(CNS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300017643409	0	39	-1.0	-53.86	342.01	5.21	-48.65
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)C1	REAL300017643410	0	34	-1.0	-54.07	325.85	5.23	-48.84
N#CC1=C(F)C=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643411	0	33	-1.0	-54.03	292.93	3.88	-50.15
CCOCCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643412	0	46	-1.0	-53.42	388.28	4.56	-48.86
CCCCCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643413	0	48	-1.0	-50.88	397.30	6.68	-44.20
O=C([O-])C1CC(CNS(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300017643414	0	34	-1.0	-58.52	314.61	6.32	-52.20
COC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1F	REAL300017643415	0	38	-1.0	-55.72	341.65	4.80	-50.92
COC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300017643416	0	38	-1.0	-49.25	350.30	5.19	-44.06
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643417	0	42	-1.0	-57.47	356.64	4.58	-52.89
COC(=O)CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643418	0	38	-1.0	-55.12	350.81	4.70	-50.42
COC(=O)C1=CSC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643419	0	35	-1.0	-54.16	329.50	3.76	-50.40
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643420	0	44	-1.0	-53.34	367.86	6.16	-47.18
COC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1Cl	REAL300017643421	0	38	-1.0	-54.39	349.63	5.16	-49.23
COC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1C	REAL300017643422	0	41	-1.0	-51.80	352.28	5.28	-46.52
COC(=O)C1=CC=C(F)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643423	0	38	-1.0	-54.35	334.45	4.50	-49.85
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300017643424	0	42	-1.0	-50.52	337.10	6.78	-43.74
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300017643425	0	38	-1.0	-53.45	329.84	5.92	-47.53
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300017643426	0	31	-1.0	-49.52	297.78	2.89	-46.63
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300017643427	0	36	-1.0	-49.51	337.84	5.56	-43.95
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300017643428	0	37	-1.0	-51.83	317.42	3.39	-48.44
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)C1	REAL300017643429	0	37	-1.0	-53.74	332.13	-0.44	-54.18
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C2S1	REAL300017643430	0	46	-1.0	-51.86	394.45	6.04	-45.82
COC(=O)CC1(CS(=O)(=O)NCC2CC(C(=O)[O-])C2)CC1	REAL300017643431	0	41	-1.0	-53.57	346.59	4.63	-48.94
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643432	0	37	-1.0	-54.86	338.35	4.22	-50.64
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(F)C=C1F	REAL300017643433	0	35	-1.0	-48.82	306.42	4.55	-44.27
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643434	0	39	-1.0	-52.55	341.45	5.12	-47.43
CC(C)N1N=CC2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C21	REAL300017643435	0	44	-1.0	-53.23	372.18	5.63	-47.60
CCCCCCN1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(=O)NC1=O	REAL300017643436	0	50	-1.0	-55.58	412.42	4.68	-50.90
CC1=CN(C2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C2F)N=C1	REAL300017643437	0	42	-1.0	-52.36	365.05	5.96	-46.40
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643438	0	39	-1.0	-56.39	355.89	3.04	-53.35
CCS(=O)(=O)NCCS(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643439	0	39	-1.0	-62.38	346.18	-1.13	-63.51
CC1=CC(F)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1F	REAL300017643440	0	35	-1.0	-49.96	306.42	4.56	-45.40
CC1=CC(Cl)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017643441	0	37	-1.0	-50.97	330.00	5.44	-45.53
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(Br)O2)C1	REAL300017643442	0	29	-1.0	-49.35	285.83	2.82	-46.53
CC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300017643443	0	38	-1.0	-50.72	337.11	5.19	-45.53
O=C([O-])C1CC(CNS(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300017643444	0	29	-1.0	-47.09	298.54	3.94	-43.15
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C1	REAL300017643445	0	35	-1.0	-50.29	326.78	5.59	-44.70
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300017643446	0	35	-1.0	-49.94	337.09	6.03	-43.91
CC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300017643447	0	38	-1.0	-52.02	343.22	6.79	-45.23
O=C([O-])C1CC(CNS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300017643448	0	35	-1.0	-50.39	324.26	5.49	-44.90
O=C([O-])C1CC(CNS(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C1	REAL300017643449	0	38	-1.0	-53.17	328.06	6.91	-46.26
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300017643450	0	38	-1.0	-55.24	339.14	6.96	-48.28
CN1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(=O)NCC(F)(F)F	REAL300017643451	0	43	-1.0	-55.02	386.45	3.03	-51.99
CCOC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CN1C	REAL300017643452	0	42	-1.0	-57.64	364.49	5.12	-52.52
CCOC(=O)C1CC2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C2O1	REAL300017643453	0	46	-1.0	-55.34	394.95	6.34	-49.00
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1F	REAL300017643454	0	38	-1.0	-56.86	346.56	1.63	-55.23
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643455	0	41	-1.0	-58.93	370.22	3.61	-55.32
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643456	0	45	-1.0	-57.97	387.99	5.62	-52.35
CC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)SC2=CC=CC(F)=C12	REAL300017643457	0	38	-1.0	-51.98	337.06	5.98	-46.00
O=C([O-])C1CC(CNS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300017643458	0	43	-1.0	-61.77	382.32	1.19	-60.58
N#CC1=CC(F)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(F)=C1	REAL300017643459	1	33	-1.0	-51.70	310.75	4.77	-46.93
CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1N(C)C	REAL300017643460	0	43	-1.0	-51.09	356.35	4.76	-46.33
CN1C(Cl)=NC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643461	0	32	-1.0	-49.91	296.41	3.04	-46.87
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643462	0	37	-1.0	-50.34	337.70	5.92	-44.42
CSC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Cl	REAL300017643463	0	36	-1.0	-51.97	336.66	5.57	-46.40
CN1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)N=C1Cl	REAL300017643464	0	32	-1.0	-57.43	301.63	2.91	-54.52
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643465	0	35	-1.0	-58.39	311.59	4.25	-54.14
O=C([O-])C1CC(CNS(=O)(=O)CCC(=O)OCC2=CC=CC=C2)C1	REAL300017643466	0	44	-1.0	-56.91	383.39	6.62	-50.29
CN(C)C1=CC=C(Br)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643467	0	40	-1.0	-52.01	349.11	5.24	-46.77
CC1=NN2C=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=NC2=C1Cl	REAL300017643468	0	37	-1.0	-53.59	340.78	3.95	-49.64
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643469	0	38	-1.0	-53.85	342.21	6.11	-47.74
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643470	0	44	-1.0	-52.87	359.59	4.60	-48.27
CCC1=NOC2=NC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C12	REAL300017643471	0	39	-1.0	-53.57	342.68	1.81	-51.76
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1F	REAL300017643472	0	37	-1.0	-53.96	334.50	5.42	-48.54
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300017643473	0	38	-1.0	-50.85	348.65	6.98	-43.87
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643474	0	38	-1.0	-53.99	331.89	5.68	-48.31
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C1	REAL300017643475	0	35	-1.0	-63.89	318.71	3.95	-59.94
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=C(Cl)C=C2Br)C1	REAL300017643476	0	35	-1.0	-51.59	338.66	5.87	-45.72
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643477	0	40	-1.0	-61.23	353.34	2.22	-59.01
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300017643478	0	31	-1.0	-47.70	295.41	2.79	-44.91
COC(=O)C1CCCCC1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643479	0	44	-1.0	-55.57	353.31	5.74	-49.83
COC(=O)C1(C2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C2)CC1	REAL300017643480	0	45	-1.0	-53.73	379.78	6.72	-47.01
O=C([O-])C1CC(CNS(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300017643481	0	39	-1.0	-55.63	327.23	4.12	-51.51
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643482	0	36	-1.0	-54.48	340.32	5.55	-48.93
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300017643483	0	38	-1.0	-50.92	350.07	2.17	-48.75
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643484	0	36	-1.0	-50.78	328.95	4.59	-46.19
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300017643485	0	41	-1.0	-57.70	348.13	7.86	-49.84
CCC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C(C(=O)OC)O1	REAL300017643486	0	41	-1.0	-50.94	360.63	4.43	-46.51
O=C([O-])C1CC(CNS(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)C1	REAL300017643487	0	49	-1.0	-60.12	398.57	6.01	-54.11
COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C)=C1F	REAL300017643488	0	39	-1.0	-52.18	330.64	4.33	-47.85
O=C([O-])C1CC(CNS(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C1	REAL300017643489	0	52	-1.0	-54.26	405.11	5.88	-48.38
O=C([O-])C1CC(CNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1	REAL300017643490	0	46	-1.0	-59.16	373.59	4.30	-54.86
O=C([O-])C1CC(CNS(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)C1	REAL300017643491	0	43	-1.0	-60.17	379.29	4.83	-55.34
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643492	0	40	-1.0	-53.86	353.68	6.27	-47.59
N#CC1(CS(=O)(=O)NCC2CC(C(=O)[O-])C2)CCCCC1	REAL300017643493	0	42	-1.0	-58.73	336.46	5.00	-53.73
CC1(CS(=O)(=O)NCC2CC(C(=O)[O-])C2)CCCCC1	REAL300017643494	0	44	-1.0	-51.61	331.29	5.62	-45.99
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300017643495	0	41	-1.0	-53.57	343.43	5.58	-47.99
O=C([O-])C1CC(CNS(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300017643496	0	35	-1.0	-53.61	320.52	2.95	-50.66
COC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1F	REAL300017643497	0	36	-1.0	-50.96	317.19	3.47	-47.49
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643498	0	43	-1.0	-54.50	371.68	4.17	-50.33
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643499	0	46	-1.0	-53.08	389.64	5.39	-47.69
CC(C)C1=CC=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643500	0	41	-1.0	-50.66	335.40	6.19	-44.47
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300017643501	0	46	-1.0	-51.88	386.84	7.42	-44.46
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C2O1	REAL300017643502	0	47	-1.0	-52.55	405.16	6.77	-45.78
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643503	0	44	-1.0	-53.17	373.61	6.46	-46.71
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300017643504	0	32	-1.0	-48.65	305.15	4.70	-43.95
CC1=C(Cl)SC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643505	0	32	-1.0	-48.53	310.44	4.32	-44.21
COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(F)=C1	REAL300017643506	0	36	-1.0	-50.78	309.14	3.15	-47.63
CC1=CC=C(C)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300017643507	0	40	-1.0	-55.78	336.33	7.04	-48.74
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300017643508	0	38	-1.0	-52.60	342.47	5.89	-46.71
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300017643509	0	42	-1.0	-48.73	368.16	6.96	-41.77
COC(=O)NC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643510	0	40	-1.0	-55.59	348.64	2.31	-53.28
CN(C)C1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643511	0	40	-1.0	-52.15	332.98	4.49	-47.66
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300017643512	0	38	-1.0	-54.05	328.01	4.62	-49.43
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300017643514	0	35	-1.0	-56.07	316.49	5.05	-51.02
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300017643515	0	35	-1.0	-48.58	337.25	5.63	-42.95
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C1	REAL300017643516	0	35	-1.0	-49.13	318.46	4.85	-44.28
CC1=CC(Br)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643517	0	35	-1.0	-50.52	324.16	5.38	-45.14
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643518	0	43	-1.0	-55.80	361.63	3.27	-52.53
CSC1=CC=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643519	0	36	-1.0	-52.67	305.72	4.28	-48.39
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643520	0	43	-1.0	-59.37	357.91	4.08	-55.29
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300017643521	0	44	-1.0	-54.69	353.57	2.89	-51.80
COC1=C(F)C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017643522	0	38	-1.0	-52.11	344.93	4.93	-47.18
COC(=O)NC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017643523	0	42	-1.0	-53.80	372.38	3.41	-50.39
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C1	REAL300017643524	0	43	-1.0	-61.83	380.35	5.91	-55.92
COC(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(OC)=C1	REAL300017643525	0	42	-1.0	-53.15	356.61	4.57	-48.58
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643526	0	35	-1.0	-48.00	324.02	5.55	-42.45
CC1=CC(C)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017643527	0	40	-1.0	-52.01	340.66	6.18	-45.83
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300017643528	0	40	-1.0	-59.32	345.10	5.34	-53.98
O=C([O-])C1CC(CNS(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300017643529	0	38	-1.0	-61.64	325.41	0.57	-61.07
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C21	REAL300017643530	0	42	-1.0	-56.33	361.26	5.02	-51.31
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300017643531	0	37	-1.0	-58.07	329.72	4.27	-53.80
COC1=CC(F)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(F)=C1	REAL300017643532	0	36	-1.0	-53.90	320.30	3.70	-50.20
CCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C)=C1	REAL300017643533	0	42	-1.0	-50.58	347.50	5.22	-45.36
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643534	0	40	-1.0	-55.72	358.06	0.27	-55.45
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643535	0	41	-1.0	-57.42	353.19	5.70	-51.72
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300017643536	0	36	-1.0	-53.38	311.73	4.19	-49.19
CSC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643537	0	36	-1.0	-51.20	321.65	5.12	-46.08
CCCOC(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643538	0	44	-1.0	-52.11	379.58	6.48	-45.63
CCC(=O)NC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643539	0	42	-1.0	-57.68	358.11	3.80	-53.88
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300017643540	0	38	-1.0	-54.48	343.93	5.81	-48.67
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643541	0	43	-1.0	-51.41	351.47	5.66	-45.75
CCN1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)N=C1C	REAL300017643542	0	38	-1.0	-55.51	327.06	3.88	-51.63
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(Cl)N=C2Cl)C1	REAL300017643543	0	31	-1.0	-49.46	295.13	2.71	-46.75
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300017643544	0	38	-1.0	-53.55	315.94	3.66	-49.89
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC3=NC=CC=C23)C1	REAL300017643545	0	37	-1.0	-52.83	317.58	4.55	-48.28
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300017643546	0	44	-1.0	-53.50	375.16	6.08	-47.42
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC(F)=C2F)C1	REAL300017643547	0	32	-1.0	-51.98	286.01	3.91	-48.07
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(Br)=CC=C2F)C1	REAL300017643548	0	32	-1.0	-49.94	301.02	4.48	-45.46
CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017643549	0	38	-1.0	-50.37	335.88	5.62	-44.75
O=C([O-])C1CC(CNS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300017643550	0	38	-1.0	-51.73	351.59	5.03	-46.70
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C12	REAL300017643551	0	40	-1.0	-53.34	347.76	3.82	-49.52
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=C(Br)C=C2F)C1	REAL300017643552	0	35	-1.0	-52.98	331.83	5.46	-47.52
CC1=NOC2=NC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C12	REAL300017643553	0	36	-1.0	-54.30	321.20	1.07	-53.23
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(CCCCl)C=C2)C1	REAL300017643554	0	41	-1.0	-52.55	363.00	6.94	-45.61
COCC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643555	0	39	-1.0	-54.25	337.39	3.84	-50.41
O=C([O-])C1CC(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)C1	REAL300017643556	0	34	-1.0	-50.72	326.14	5.50	-45.22
COC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300017643557	0	41	-1.0	-54.89	376.67	5.32	-49.57
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643558	0	38	-1.0	-54.50	331.87	5.68	-48.82
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300017643559	0	35	-1.0	-54.16	318.69	5.27	-48.89
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300017643560	0	44	-1.0	-63.23	378.01	2.61	-60.62
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300017643561	0	39	-1.0	-56.30	352.07	4.63	-51.67
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300017643562	0	32	-1.0	-49.12	304.41	4.78	-44.34
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CN=C21	REAL300017643563	0	40	-1.0	-53.72	351.13	1.51	-52.21
CCOC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1F	REAL300017643596	0	41	-1.0	-52.67	362.66	5.70	-46.97
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300017643597	0	40	-1.0	-56.70	343.45	4.75	-51.95
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(F)=CC=C2Cl)C1	REAL300017643598	0	32	-1.0	-49.58	289.52	4.22	-45.36
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643599	0	51	-1.0	-57.48	412.89	7.67	-49.81
O=C([O-])C1CC(CNS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300017643600	0	35	-1.0	-55.04	333.12	5.72	-49.32
N#CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(Cl)=C1	REAL300017643601	0	33	-1.0	-50.34	303.80	4.54	-45.80
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Cl	REAL300017643602	0	39	-1.0	-53.82	349.56	3.38	-50.44
CC1CC2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C2O1	REAL300017643603	0	40	-1.0	-51.70	338.37	4.67	-47.03
COC1=CC(Cl)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Cl	REAL300017643604	0	36	-1.0	-49.55	328.60	4.01	-45.54
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643605	0	44	-1.0	-51.37	339.64	7.30	-44.07
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643606	0	44	-1.0	-55.99	368.76	3.05	-52.94
COC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CS1	REAL300017643607	0	35	-1.0	-54.35	330.60	3.83	-50.52
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643608	0	41	-1.0	-54.30	364.18	6.61	-47.69
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300017643609	0	43	-1.0	-52.01	386.87	7.45	-44.56
O=C([O-])C1CC(CNS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300017643610	0	38	-1.0	-52.16	345.20	4.96	-47.20
O=C([O-])C1CC(CNS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300017643611	0	38	-1.0	-51.39	361.92	5.48	-45.91
COC(=O)C1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1C	REAL300017643612	0	41	-1.0	-54.19	346.02	5.43	-48.76
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300017643613	0	34	-1.0	-49.34	330.97	5.39	-43.95
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643614	0	36	-1.0	-48.91	337.13	4.74	-44.17
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643615	0	44	-1.0	-52.03	358.43	4.63	-47.40
CCOC(=O)N1CCC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)CC1	REAL300017643616	0	46	-1.0	-57.91	376.72	4.07	-53.84
CC1=NC(C2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C2)=CO1	REAL300017643617	0	41	-1.0	-56.13	357.85	3.16	-52.97
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)C1	REAL300017643618	0	31	-1.0	-49.07	308.54	3.17	-45.90
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300017643619	0	35	-1.0	-52.55	311.21	4.48	-48.07
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300017643620	0	35	-1.0	-52.91	307.50	2.76	-50.15
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300017643621	0	40	-1.0	-51.60	335.16	4.73	-46.87
COC1=CC=C(Cl)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643622	0	36	-1.0	-51.51	312.59	3.45	-48.06
COC(=O)C1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300017643623	0	41	-1.0	-55.30	361.28	7.08	-48.22
COC(=O)CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643624	0	41	-1.0	-55.98	358.41	5.54	-50.44
O=C([O-])C1CC(CNS(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300017643625	0	39	-1.0	-52.52	320.50	5.66	-46.86
CC1=CC=C(N2C=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=N2)C=C1	REAL300017643626	0	42	-1.0	-54.35	363.42	5.88	-48.47
O=C([O-])C1CC(CNS(=O)(=O)[C@@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017643627	0	50	-1.0	-58.48	424.14	6.28	-52.20
O=C([O-])C1CC(CNS(=O)(=O)[C@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017643628	0	50	-1.0	-63.17	415.60	5.88	-57.29
O=C([O-])C1CC(CNS(=O)(=O)C2CN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017643629	0	47	-1.0	-59.12	403.98	5.34	-53.78
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643630	0	34	-1.0	-52.45	319.59	4.43	-48.02
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C21	REAL300017643631	0	43	-1.0	-64.59	360.28	5.12	-59.47
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC(Cl)=C2Br)C1	REAL300017643632	0	32	-1.0	-52.16	312.75	5.27	-46.89
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C1	REAL300017643633	0	32	-1.0	-50.04	317.58	5.18	-44.86
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643634	0	42	-1.0	-53.85	339.30	5.61	-48.24
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1C#N	REAL300017643635	0	36	-1.0	-51.51	321.43	4.99	-46.52
COC(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1F	REAL300017643636	0	38	-1.0	-57.14	341.63	4.81	-52.33
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643637	0	36	-1.0	-52.51	318.70	4.44	-48.07
COC1=CC=C(C)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643638	0	39	-1.0	-51.38	326.49	4.19	-47.19
N#CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Br	REAL300017643639	0	33	-1.0	-52.19	321.95	4.99	-47.20
COC1=CC(C)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Cl	REAL300017643640	0	39	-1.0	-50.20	342.52	4.73	-45.47
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643641	0	38	-1.0	-49.74	355.39	4.74	-45.00
CC(=O)NC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1F	REAL300017643642	0	39	-1.0	-56.15	343.21	3.14	-53.01
COC1=CC(Cl)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1OC	REAL300017643643	0	40	-1.0	-50.88	341.80	3.36	-47.52
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300017643644	0	36	-1.0	-54.78	327.79	3.77	-51.01
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C1	REAL300017643645	0	35	-1.0	-49.70	325.78	5.16	-44.54
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C	REAL300017643646	0	43	-1.0	-55.35	372.78	1.19	-54.16
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C2S1	REAL300017643647	0	44	-1.0	-52.66	396.08	7.14	-45.52
N#CCC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643648	0	36	-1.0	-57.10	323.70	5.26	-51.84
COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(Br)=C1	REAL300017643649	0	36	-1.0	-50.87	327.40	4.13	-46.74
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=N1	REAL300017643650	0	37	-1.0	-59.44	338.22	-0.29	-59.73
CC1=CC2=C(C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1)OCO2	REAL300017643651	0	38	-1.0	-50.99	322.18	3.66	-47.33
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643652	0	38	-1.0	-53.00	323.59	5.20	-47.80
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300017643653	0	32	-1.0	-48.28	299.80	4.65	-43.63
CC1=CC(F)=CC(C)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643654	0	38	-1.0	-49.80	311.37	5.57	-44.23
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300017643655	0	32	-1.0	-49.60	314.65	5.35	-44.25
COC1=CC2=C(C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1)OCC(=O)N2	REAL300017643656	0	42	-1.0	-55.31	352.63	1.15	-54.16
N#CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643657	0	30	-1.0	-50.60	293.95	3.65	-46.95
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300017643658	0	33	-1.0	-53.98	299.79	2.49	-51.49
COC1=CN=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643659	0	35	-1.0	-51.86	306.03	1.56	-50.30
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC(Br)=C2F)C1	REAL300017643660	0	32	-1.0	-51.10	300.32	4.46	-46.64
COC(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1OC	REAL300017643661	0	42	-1.0	-54.00	363.54	4.81	-49.19
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643662	0	36	-1.0	-54.70	332.71	1.39	-53.31
CCOC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643663	0	39	-1.0	-53.73	333.67	4.34	-49.39
CC1(C)CC2=CC=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=C2O1	REAL300017643664	0	43	-1.0	-53.42	349.12	5.23	-48.19
N#CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300017643665	0	36	-1.0	-52.01	338.12	5.28	-46.73
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643703	0	33	-1.0	-53.11	302.43	4.26	-48.85
CC1=CC=C(C#N)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643704	0	36	-1.0	-51.61	317.79	5.28	-46.33
COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300017643705	0	46	-1.0	-56.58	384.17	3.86	-52.72
CC1CC2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300017643706	0	40	-1.0	-52.17	355.23	5.21	-46.96
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017643707	0	37	-1.0	-51.07	325.66	5.28	-45.79
CC1=CC=C(Br)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643708	0	35	-1.0	-51.53	319.33	5.49	-46.04
COC(=O)C1=COC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643709	0	35	-1.0	-54.75	321.33	2.83	-51.92
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=N1	REAL300017643710	0	43	-1.0	-56.50	369.19	4.85	-51.65
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300017643711	0	34	-1.0	-52.38	313.45	3.58	-48.80
CC(=O)N(C)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643712	0	42	-1.0	-57.12	348.83	4.31	-52.81
COC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)SC=C1	REAL300017643713	0	33	-1.0	-55.04	299.46	2.23	-52.81
CC(=O)NC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1C	REAL300017643714	0	42	-1.0	-59.61	356.35	3.88	-55.73
O=C([O-])C1CC(CNS(=O)(=O)CCCC(F)(F)F)C1	REAL300017643715	0	34	-1.0	-58.02	307.29	3.76	-54.26
O=C([O-])C1CC(CNS(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300017643716	0	37	-1.0	-58.12	328.56	4.17	-53.95
O=C([O-])C1CC(CNS(=O)(=O)C2=C3NC(=O)COC3=CC=C2)C1	REAL300017643717	0	38	-1.0	-56.26	328.93	1.69	-54.57
CN1CCCC2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C21	REAL300017643718	0	44	-1.0	-52.49	355.68	4.64	-47.85
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300017643719	0	34	-1.0	-50.56	316.18	3.32	-47.24
CC1=CC=C(Cl)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643720	0	35	-1.0	-50.66	304.53	4.82	-45.84
COC1=CC=CC(OC)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643721	0	40	-1.0	-56.38	335.43	4.61	-51.77
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CN=C1Cl	REAL300017643722	0	34	-1.0	-50.98	312.10	3.31	-47.67
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C1	REAL300017643723	0	38	-1.0	-55.55	332.84	3.15	-52.40
O=C([O-])C1CC(CNS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C1	REAL300017643724	0	31	-1.0	-51.58	302.64	3.85	-47.73
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643725	0	41	-1.0	-50.02	354.44	5.74	-44.28
CC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1C#N	REAL300017643726	0	36	-1.0	-53.59	306.19	4.35	-49.24
COC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC(OC)=C1	REAL300017643727	0	40	-1.0	-52.98	340.44	2.70	-50.28
N#CC1=CC=C(Cl)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643728	0	33	-1.0	-51.89	303.89	4.54	-47.35
CN1C=NC2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C21	REAL300017643729	0	38	-1.0	-58.52	329.72	5.44	-53.08
CC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017643730	0	40	-1.0	-56.23	335.06	5.85	-50.38
CCC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1CC	REAL300017643731	0	44	-1.0	-50.92	358.46	6.66	-44.26
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643732	0	40	-1.0	-50.79	333.24	6.14	-44.65
CC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1Cl	REAL300017643733	0	35	-1.0	-51.02	301.85	4.75	-46.27
COC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(C)O1	REAL300017643734	0	38	-1.0	-51.67	341.01	3.61	-48.06
CC1=C(C)SC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643735	0	35	-1.0	-50.53	314.41	4.48	-46.05
CC1=CC=CC(F)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643736	0	35	-1.0	-53.77	295.75	4.84	-48.93
NC1=NC=C(Cl)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643737	0	33	-1.0	-49.03	303.62	1.97	-47.06
CCC1=NC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643738	0	34	-1.0	-50.59	311.47	2.68	-47.91
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300017643739	0	38	-1.0	-55.07	309.51	5.14	-49.93
COC(=O)C1=NSC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643740	0	34	-1.0	-56.42	313.84	2.95	-53.47
COC(=O)C1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)SC=N1	REAL300017643741	1	34	-1.0	-56.32	316.61	2.41	-53.91
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC(C)=C1F	REAL300017643742	0	38	-1.0	-49.80	328.48	5.44	-44.36
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C1	REAL300017643743	0	40	-1.0	-58.64	341.04	2.55	-56.09
O=C([O-])C1CC(CNS(=O)(=O)N2CCC3(CC2)OCCO3)C1	REAL300017643744	0	43	-1.0	-51.41	345.49	2.17	-49.24
COC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CN1C	REAL300017643745	0	39	-1.0	-57.86	342.62	4.18	-53.68
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=CC(Cl)=C2)C1	REAL300017643746	0	31	-1.0	-49.65	293.21	2.79	-46.86
CC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1F	REAL300017643747	0	35	-1.0	-51.84	300.04	4.50	-47.34
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643748	0	43	-1.0	-54.02	364.05	5.93	-48.09
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC(Cl)=CC=C2F)C1	REAL300017643749	0	35	-1.0	-53.24	327.26	5.34	-47.90
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=C(F)C(Cl)=C2)C1	REAL300017643750	0	35	-1.0	-54.29	327.80	5.38	-48.91
O=C([O-])C1CC(CNS(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300017643751	0	32	-1.0	-54.88	297.02	4.86	-50.02
CC1=CC(F)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643752	0	35	-1.0	-51.07	309.27	4.83	-46.24
COC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CN=C1Cl	REAL300017643753	0	35	-1.0	-51.18	322.31	2.07	-49.11
N#CC1=CC=C(F)C(CS(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643754	0	36	-1.0	-56.09	331.37	5.24	-50.85
COC(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=N1	REAL300017643755	0	37	-1.0	-52.28	332.19	2.92	-49.36
O=C([O-])C1CC(CNS(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300017643756	0	31	-1.0	-50.71	299.10	3.48	-47.23
COCC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643757	0	39	-1.0	-51.85	336.52	3.83	-48.02
COC1=CC(C#N)=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643758	0	37	-1.0	-52.67	322.67	4.31	-48.36
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643759	0	38	-1.0	-51.17	352.97	5.26	-45.91
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C1	REAL300017643760	0	35	-1.0	-51.96	314.84	1.66	-50.30
CCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=N1	REAL300017643761	0	38	-1.0	-50.67	330.50	1.71	-48.96
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643762	0	41	-1.0	-62.98	366.49	2.30	-60.68
CC(=O)NC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1F	REAL300017643763	0	39	-1.0	-55.90	343.47	3.11	-52.79
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C21	REAL300017643764	0	46	-1.0	-63.54	374.48	5.74	-57.80
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300017643765	0	35	-1.0	-53.00	301.81	2.66	-50.34
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643766	0	38	-1.0	-48.90	334.93	5.99	-42.91
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643767	0	42	-1.0	-60.45	362.66	1.44	-59.01
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C2CC1	REAL300017643768	0	49	-1.0	-58.55	394.59	6.05	-52.50
COC(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017643769	0	41	-1.0	-55.06	366.40	5.56	-49.50
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643770	0	41	-1.0	-50.11	343.35	6.07	-44.04
O=C([O-])C1CC(CNS(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300017643771	0	35	-1.0	-51.17	307.47	4.98	-46.19
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C1	REAL300017643772	0	35	-1.0	-51.11	323.11	6.18	-44.93
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643773	0	46	-1.0	-60.71	393.00	2.29	-58.42
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643774	0	45	-1.0	-57.16	378.50	5.49	-51.67
CCOC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1C	REAL300017643775	0	44	-1.0	-52.78	374.15	6.21	-46.57
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643776	0	44	-1.0	-55.96	380.27	6.46	-49.50
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1OC	REAL300017643777	0	43	-1.0	-55.98	377.03	3.88	-52.10
CCOC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(F)C=C1C	REAL300017643778	0	44	-1.0	-50.64	372.33	5.97	-44.67
O=C([O-])C1CC(CNS(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300017643779	0	38	-1.0	-55.19	344.31	6.13	-49.06
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643780	0	41	-1.0	-53.95	356.31	5.43	-48.52
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300017643781	0	42	-1.0	-52.18	355.65	7.51	-44.67
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643782	0	46	-1.0	-55.38	400.60	1.89	-53.49
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300017643783	0	35	-1.0	-53.82	321.92	5.38	-48.44
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CN1C	REAL300017643784	0	44	-1.0	-56.25	383.47	5.31	-50.94
O=C([O-])C1CC(CNS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300017643785	0	36	-1.0	-53.02	329.20	4.97	-48.05
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300017643786	0	35	-1.0	-51.67	313.64	4.96	-46.71
CC1=NC(Cl)=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643787	0	34	-1.0	-49.73	309.14	3.49	-46.24
CC1=NC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(Br)N1C	REAL300017643788	0	35	-1.0	-55.87	322.06	3.52	-52.35
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C1	REAL300017643789	0	33	-1.0	-50.33	304.84	2.95	-47.38
COC(=O)C(C)(C)CS(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643790	0	40	-1.0	-53.76	331.24	4.05	-49.71
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643791	0	45	-1.0	-61.56	373.60	4.93	-56.63
COC(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(F)=C1	REAL300017643792	0	38	-1.0	-50.86	334.38	4.52	-46.34
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643793	0	43	-1.0	-55.17	372.08	3.44	-51.73
CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300017643794	0	47	-1.0	-51.67	394.38	6.92	-44.75
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643795	0	44	-1.0	-57.39	385.11	3.31	-54.08
COC(=O)C1(CS(=O)(=O)NCC2CC(C(=O)[O-])C2)CCCC1	REAL300017643796	0	44	-1.0	-57.26	355.91	5.17	-52.09
COCC1=CC(Cl)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643797	0	39	-1.0	-51.26	353.25	4.33	-46.93
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300017643798	0	38	-1.0	-49.68	335.88	5.61	-44.07
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300017643799	0	43	-1.0	-50.73	386.86	7.46	-43.27
COC(=O)CC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643800	0	41	-1.0	-58.41	359.27	5.56	-52.85
O=C([O-])C1CC(CNS(=O)(=O)CC23CCC(CC2)C3)C1	REAL300017643801	0	42	-1.0	-52.40	330.11	5.50	-46.90
O=C([O-])C1CC(CNS(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300017643802	0	38	-1.0	-55.79	343.78	6.06	-49.73
COC(=O)C1(CS(=O)(=O)NCC2CC(C(=O)[O-])C2)CCC1	REAL300017643803	0	41	-1.0	-58.16	339.99	4.52	-53.64
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300017643804	0	32	-1.0	-48.84	314.03	4.29	-44.55
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643805	0	45	-1.0	-55.72	391.30	4.46	-51.26
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643806	0	48	-1.0	-55.54	413.16	5.39	-50.15
COC(=O)C1(CS(=O)(=O)NCC2CC(C(=O)[O-])C2)CCCCC1	REAL300017643807	0	47	-1.0	-57.72	367.78	5.87	-51.85
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643808	0	40	-1.0	-53.86	351.95	5.10	-48.76
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=N1	REAL300017643809	1	34	-1.0	-59.60	307.63	3.07	-56.53
O=C([O-])C1CC(CNS(=O)(=O)C2=CNC3=CC=CC=C23)C1	REAL300017643810	0	36	-1.0	-54.16	308.02	3.74	-50.42
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCC1CC(C(=O)[O-])C1)=C2	REAL300017643811	0	45	-1.0	-55.36	381.23	7.93	-47.43
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=CC(Cl)=C2Br)C1	REAL300017643812	0	35	-1.0	-53.22	336.76	5.82	-47.40
O=C([O-])C1CC(CNS(=O)(=O)CC2=CC=CC(F)=C2Br)C1	REAL300017643813	0	35	-1.0	-53.88	327.64	5.40	-48.48
COC1=CC=C(Br)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1F	REAL300017643814	0	36	-1.0	-53.37	330.41	4.32	-49.05
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643815	0	42	-1.0	-56.76	356.91	6.43	-50.33
CC(C)(CCS(=O)(=O)NCC1CC(C(=O)[O-])C1)C1CC1	REAL300017643816	0	44	-1.0	-54.73	346.60	5.56	-49.17
O=C([O-])C1CC(CNS(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300017643817	0	36	-1.0	-52.75	327.60	5.70	-47.05
O=C([O-])C1CC(CNS(=O)(=O)CCCC2=CC=CC=C2)C1	REAL300017643818	0	41	-1.0	-56.90	349.07	6.40	-50.50
CC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300017643820	0	36	-1.0	-53.53	322.74	-0.35	-53.88
CCCC1=CC=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643824	0	41	-1.0	-50.18	334.51	6.64	-43.54
O=C([O-])C1CC(CNS(=O)(=O)CC2=NOC3=C2CCCC3)C1	REAL300017643825	0	41	-1.0	-55.67	343.58	4.80	-50.87
O=C([O-])C1CC(CNS(=O)(=O)C2=CSC=C2C(F)F)C1	REAL300017643826	0	32	-1.0	-54.62	295.38	4.39	-50.23
O=C([O-])C1CC(CNS(=O)(=O)CCC2=CC=CC(F)=C2)C1	REAL300017643827	0	38	-1.0	-55.73	333.99	5.69	-50.04
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643828	0	48	-1.0	-52.97	399.47	7.00	-45.97
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300017643829	0	37	-1.0	-56.52	317.64	4.63	-51.89
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C21	REAL300017643830	0	52	-1.0	-59.17	408.42	6.56	-52.61
COC(=O)C1=CN(C)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643831	0	39	-1.0	-56.18	336.64	4.08	-52.10
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C21	REAL300017643832	0	46	-1.0	-53.42	377.00	4.18	-49.24
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C1	REAL300017643833	0	47	-1.0	-61.16	392.14	6.75	-54.41
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C21	REAL300017643834	0	46	-1.0	-61.20	382.28	6.03	-55.17
O=C([O-])C1CC(CNS(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300017643835	0	39	-1.0	-52.26	331.35	3.78	-48.48
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300017643836	0	39	-1.0	-51.95	322.26	3.75	-48.20
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300017643837	0	42	-1.0	-51.23	344.83	4.39	-46.84
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300017643845	0	38	-1.0	-51.65	348.29	5.00	-46.65
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C1	REAL300017643846	0	38	-1.0	-54.60	332.17	1.33	-53.27
O=C([O-])C1CC(CNS(=O)(=O)C2=C(Br)C=CO2)C1	REAL300017643847	1	29	-1.0	-51.19	281.35	2.77	-48.42
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300017643848	0	39	-1.0	-52.23	322.98	4.20	-48.03
COC1=C(F)C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1F	REAL300017643849	0	36	-1.0	-50.19	327.32	3.64	-46.55
COC1=CC(F)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1F	REAL300017643850	0	36	-1.0	-50.71	315.40	3.23	-47.48
CCCCCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(C)C	REAL300017643851	0	57	-1.0	-50.65	455.91	8.71	-41.94
COC1=CC(C(C)C)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C	REAL300017643852	0	48	-1.0	-50.57	384.92	6.22	-44.35
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643853	0	42	-1.0	-52.21	342.61	5.34	-46.87
CCOCCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(C)C	REAL300017643854	0	55	-1.0	-52.85	446.89	6.57	-46.28
CC1=CSC(C)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643855	0	35	-1.0	-49.25	304.37	4.80	-44.45
CC1CC2=CC=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=C2O1	REAL300017643856	0	40	-1.0	-53.41	332.36	4.72	-48.69
CC(C)(C)C1=NC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643857	0	40	-1.0	-50.44	350.12	3.76	-46.68
N#CC1(C2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C2)CC1	REAL300017643858	0	40	-1.0	-55.99	349.69	6.31	-49.68
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643859	0	36	-1.0	-52.09	317.91	4.76	-47.33
CC1=C(Br)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(C)S1	REAL300017643860	0	35	-1.0	-48.74	325.69	5.47	-43.27
CC1=CC(Cl)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(Br)=C1	REAL300017643861	0	35	-1.0	-50.49	327.17	6.09	-44.40
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C21	REAL300017643862	0	49	-1.0	-60.50	391.44	6.20	-54.30
O=C([O-])C1CC(CNS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300017643863	0	38	-1.0	-53.32	333.69	4.66	-48.66
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C21	REAL300017643864	0	46	-1.0	-54.73	378.58	5.58	-49.15
O=C([O-])C1CC(CNS(=O)(=O)C2=CSC=C2Cl)C1	REAL300017643865	0	29	-1.0	-49.58	276.22	3.10	-46.48
CN1N=C(Br)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643866	0	32	-1.0	-51.75	304.27	2.24	-49.51
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C1	REAL300017643867	0	34	-1.0	-49.99	315.59	3.29	-46.70
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643868	0	37	-1.0	-60.90	322.14	3.70	-57.20
O=C([O-])C1CC(CNS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300017643869	0	41	-1.0	-52.56	327.99	4.13	-48.43
O=C([O-])C1CC(CNS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)C1	REAL300017643870	0	36	-1.0	-52.96	329.28	4.34	-48.62
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300017643871	0	33	-1.0	-49.77	296.33	2.88	-46.89
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300017643872	0	35	-1.0	-51.51	320.29	5.53	-45.98
O=C([O-])C1CC(CNS(=O)(=O)C2=CNC3=C(Br)C=CC=C23)C1	REAL300017643873	0	36	-1.0	-52.48	329.34	4.33	-48.15
O=C([O-])C1CC(CNS(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C1	REAL300017643874	0	35	-1.0	-59.01	326.35	3.80	-55.21
CN1N=C(C2CC2)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643875	0	39	-1.0	-50.71	333.39	3.81	-46.90
CC1=CC(C)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C)=C1F	REAL300017643876	0	41	-1.0	-48.91	331.75	6.23	-42.68
COC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1OC	REAL300017643877	0	40	-1.0	-54.02	338.88	3.91	-50.11
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C1	REAL300017643878	0	41	-1.0	-57.38	349.77	1.32	-56.06
N#CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1Br	REAL300017643879	0	33	-1.0	-51.11	321.97	4.99	-46.12
O=C([O-])C1CC(CNS(=O)(=O)C2=COC3=CC=CC=C23)C1	REAL300017643880	0	35	-1.0	-52.59	304.37	4.05	-48.54
COC1=CC=C(F)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1OC	REAL300017643881	0	40	-1.0	-53.51	340.88	4.41	-49.10
COC(=O)C1=C(Br)OC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643882	1	35	-1.0	-53.58	340.95	3.49	-50.09
CN1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300017643883	0	45	-1.0	-52.69	355.85	4.39	-48.30
N#CC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300017643884	0	36	-1.0	-53.97	332.30	6.02	-47.95
CN1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C2CC2)=N1	REAL300017643886	0	39	-1.0	-53.58	325.09	3.47	-50.11
O=C([O-])C1CC(CNC(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300017643887	0	34	-1.0	-51.29	315.40	7.74	-43.55
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300017643888	0	36	-1.0	-52.67	320.69	3.67	-49.00
O=C([O-])C1CC(CNS(=O)(=O)C2=CNC3=CC=C(Br)C=C23)C1	REAL300017643889	0	36	-1.0	-54.17	329.39	4.36	-49.81
O=C([O-])C1CC(CNS(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300017643890	0	35	-1.0	-54.44	310.88	3.31	-51.13
CN1N=NC2=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=CC=C21	REAL300017643891	0	37	-1.0	-59.09	319.79	2.51	-56.58
CC1=CC(C)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Br	REAL300017643893	0	38	-1.0	-49.49	335.74	6.19	-43.30
CC1(C)CCCN(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C1	REAL300017643894	0	43	-1.0	-50.16	335.99	4.50	-45.66
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300017643895	0	38	-1.0	-51.20	349.67	5.23	-45.97
O=C([O-])C1CC(CNS(=O)(=O)C2=C3C=COC3=C(F)C=C2)C1	REAL300017643896	0	35	-1.0	-52.77	304.39	3.98	-48.79
CN1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300017643897	0	42	-1.0	-52.88	338.86	3.89	-48.99
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643898	0	50	-1.0	-50.24	395.66	8.10	-42.14
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300017643899	0	38	-1.0	-52.34	353.52	6.00	-46.34
O=C([O-])C1CC(CNS(=O)(=O)C2=C(Cl)SC=C2)C1	REAL300017643900	0	29	-1.0	-49.17	276.81	3.22	-45.95
O=C([O-])C1CC(CNS(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300017643901	0	42	-1.0	-54.12	355.42	4.73	-49.39
O=C([O-])C1CC(CNS(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300017643902	0	36	-1.0	-50.54	317.36	5.34	-45.20
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300017643903	0	43	-1.0	-51.76	369.18	6.83	-44.93
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643904	0	45	-1.0	-58.28	371.25	2.50	-55.78
COC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017643905	0	41	-1.0	-60.79	346.88	5.31	-55.48
CCCC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643906	0	41	-1.0	-52.63	346.71	6.33	-46.30
COC(=O)C1=NN(C)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643907	0	38	-1.0	-55.77	338.60	2.46	-53.31
N#CC1=CC=C(F)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643908	0	33	-1.0	-51.49	293.43	3.91	-47.58
CN1N=C2CCCC2=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643909	0	39	-1.0	-51.83	326.15	3.65	-48.18
O=C([O-])C1CC(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300017643910	0	36	-1.0	-53.05	338.76	5.46	-47.59
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCC3CC(C(=O)[O-])C3)C=C2C=C1	REAL300017643911	0	44	-1.0	-53.66	382.13	7.00	-46.66
CC(C)(C)N1N=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643912	0	41	-1.0	-51.32	324.95	3.57	-47.75
CC(C)(C)N1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=N1	REAL300017643913	0	41	-1.0	-53.56	345.96	3.80	-49.76
O=C([O-])C1CC(CNS(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300017643914	0	39	-1.0	-52.24	330.32	3.16	-49.08
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300017643915	0	37	-1.0	-51.38	332.37	3.91	-47.47
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300017643916	0	35	-1.0	-48.85	326.92	5.18	-43.67
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(CF)C=C2)C1	REAL300017643917	0	35	-1.0	-52.01	309.44	4.91	-47.10
O=C([O-])C1CC(CNS(=O)(=O)C2=C(C(F)(F)F)SC=C2)C1	REAL300017643918	0	32	-1.0	-51.84	302.18	4.60	-47.24
O=C([O-])C1CC(CNS(=O)(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300017643919	0	32	-1.0	-50.73	313.19	4.19	-46.54
O=C([O-])C1CC(CNS(=O)(=O)N2CCC(F)(F)CC2)C1	REAL300017643920	0	37	-1.0	-50.52	309.08	3.28	-47.24
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C1	REAL300017643921	0	35	-1.0	-49.31	333.35	5.52	-43.79
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC=C2C(F)F)C1	REAL300017643922	0	35	-1.0	-51.85	302.39	5.42	-46.43
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643923	0	43	-1.0	-58.89	366.04	6.13	-52.76
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300017643924	0	43	-1.0	-53.36	351.95	7.16	-46.20
CC1(C)OC(=O)C2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C21	REAL300017643925	0	42	-1.0	-56.53	361.69	5.78	-50.75
O=C([O-])C1CC(CNS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300017643926	0	38	-1.0	-53.06	344.78	5.15	-47.91
O=C([O-])C1CC(CNS(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300017643927	0	38	-1.0	-50.74	323.90	4.54	-46.20
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643928	0	37	-1.0	-54.11	332.47	4.60	-49.51
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643929	0	42	-1.0	-50.96	377.65	4.87	-46.09
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C1	REAL300017643930	0	41	-1.0	-61.28	355.59	4.07	-57.21
O=C([O-])C1CC(CNS(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300017643931	0	32	-1.0	-52.87	300.64	4.52	-48.35
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300017643932	0	39	-1.0	-52.69	331.54	6.23	-46.46
COC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=CS1	REAL300017643933	0	33	-1.0	-52.06	297.26	2.60	-49.46
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C1	REAL300017643934	0	35	-1.0	-51.36	312.78	5.73	-45.63
COC(=O)C1=C(C)SC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643935	0	38	-1.0	-51.42	347.62	4.45	-46.97
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(C3CC3)C=C2F)C1	REAL300017643936	0	39	-1.0	-50.62	328.94	5.96	-44.66
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300017643937	0	42	-1.0	-50.38	347.48	4.63	-45.75
CCC(C)N1N=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643938	0	41	-1.0	-50.14	341.40	3.99	-46.15
CNC(=O)NC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643939	0	41	-1.0	-58.63	352.67	1.61	-57.02
CS(=O)(=O)C1=CSC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643940	0	35	-1.0	-58.81	335.39	0.59	-58.22
CN(C1CCCCCC1)S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643941	0	46	-1.0	-49.52	347.07	4.90	-44.62
COC1=CC(F)=C(F)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643942	0	36	-1.0	-51.13	314.66	4.04	-47.09
CN1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300017643943	0	46	-1.0	-53.31	379.94	3.22	-50.09
CC(F)(F)C1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643944	0	38	-1.0	-53.01	335.53	5.65	-47.36
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300017643945	0	36	-1.0	-53.16	320.71	3.68	-49.48
O=C([O-])C1CC(CNS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300017643946	0	47	-1.0	-51.18	376.95	6.76	-44.42
COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643947	0	33	-1.0	-50.31	305.23	2.54	-47.77
CC1=CC(C)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C2=NC=CC=C12	REAL300017643948	0	43	-1.0	-56.28	352.87	6.38	-49.90
O=C([O-])C1CC(CNS(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300017643949	0	40	-1.0	-51.71	336.97	4.21	-47.50
O=C([O-])C1CC(CNS(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300017643950	0	35	-1.0	-52.71	314.12	2.80	-49.91
CCOCC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643951	0	42	-1.0	-54.19	359.24	4.81	-49.38
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643954	0	42	-1.0	-51.08	363.16	5.17	-45.91
O=C([O-])C1CC(CNS(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300017643955	0	45	-1.0	-51.63	367.84	5.04	-46.59
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300017643956	0	43	-1.0	-51.79	370.13	6.94	-44.85
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC=C2CF)C1	REAL300017643957	0	35	-1.0	-52.23	301.63	5.16	-47.07
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC(C)=C1Br	REAL300017643958	0	38	-1.0	-49.66	339.15	5.84	-43.82
CCN1N=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1Cl	REAL300017643959	0	35	-1.0	-50.20	314.52	2.65	-47.55
O=C([O-])C1CC(CNS(=O)(=O)C=CC2=CC=CC=C2Br)C1	REAL300017643960	0	36	-1.0	-52.74	331.62	5.79	-46.95
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCC1CC(C(=O)[O-])C1)=C2	REAL300017643961	0	38	-1.0	-51.51	366.54	5.32	-46.19
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300017643963	0	34	-1.0	-50.95	315.32	3.04	-47.91
O=C([O-])C1CC(CNS(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C1	REAL300017643964	0	37	-1.0	-57.67	337.91	5.27	-52.40
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C1	REAL300017643965	0	37	-1.0	-57.73	334.59	5.09	-52.64
CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300017643966	0	41	-1.0	-53.51	340.16	6.98	-46.53
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643967	0	36	-1.0	-53.51	333.31	5.10	-48.41
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(OCCF)C=C2)C1	REAL300017643968	0	39	-1.0	-53.72	339.38	4.47	-49.25
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C21	REAL300017643969	0	46	-1.0	-53.16	386.04	5.61	-47.55
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300017643970	0	32	-1.0	-49.46	301.75	4.40	-45.06
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)O1	REAL300017643971	0	38	-1.0	-61.09	345.10	0.39	-60.70
CN1C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300017643972	0	42	-1.0	-52.75	348.75	5.01	-47.74
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C1	REAL300017643973	0	38	-1.0	-53.55	350.13	1.69	-51.86
O=C([O-])C1CC(CNS(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300017643974	0	36	-1.0	-51.59	319.76	5.34	-46.25
O=C([O-])C1CC(CNS(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300017643975	0	36	-1.0	-53.43	335.52	5.91	-47.52
O=C([O-])C1CC(CNS(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300017643976	0	36	-1.0	-51.14	334.65	5.90	-45.24
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300017643977	0	36	-1.0	-50.23	325.27	5.40	-44.83
COC(=O)C1CCCCN1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643978	0	43	-1.0	-55.30	343.49	4.75	-50.55
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C21	REAL300017643979	0	54	-1.0	-50.50	411.03	8.27	-42.23
N#CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017643980	0	35	-1.0	-57.80	326.90	4.91	-52.89
COC1=CC=C(C=C(C)S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643981	0	43	-1.0	-51.88	353.88	4.94	-46.94
COC(=O)C=CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643982	0	42	-1.0	-54.15	368.13	5.99	-48.16
CCOC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=NN1	REAL300017643983	0	38	-1.0	-52.26	339.67	1.95	-50.31
COC1=CSC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1OC	REAL300017643984	0	37	-1.0	-52.61	335.33	2.78	-49.83
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)NCC1CC(C(=O)[O-])C1)C2	REAL300017643985	0	49	-1.0	-52.95	351.38	8.65	-44.30
O=C([O-])C1CC(CNS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300017643986	0	44	-1.0	-48.53	343.15	4.56	-43.97
CN(CCC1=CC=CC=C1)S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643987	0	43	-1.0	-53.59	362.26	6.02	-47.57
O=C([O-])C1CC(CNC(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300017643988	0	43	-1.0	-52.51	357.34	10.81	-41.70
O=C([O-])C1CC(CNC(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300017643989	0	49	-1.0	-48.10	377.55	10.23	-37.87
CC(C)(C)OC(=O)N1CCN(C(=O)NCC2CC(C(=O)[O-])C2)CC1	REAL300017643990	0	50	-1.0	-49.53	382.18	6.77	-42.76
CN(C(=O)NCC1CC(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300017643991	0	39	-1.0	-60.36	319.83	2.70	-57.66
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NCC1CC(C(=O)[O-])C1	REAL300017643992	0	51	-1.0	-56.00	398.58	7.35	-48.65
COC(=O)C1CN(C(=O)NCC2CC(C(=O)[O-])C2)CCO1	REAL300017643993	0	40	-1.0	-49.31	326.28	5.07	-44.24
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643994	0	36	-1.0	-51.11	332.09	5.33	-45.78
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300017643995	0	36	-1.0	-52.81	330.24	4.84	-47.97
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300017643996	0	36	-1.0	-52.24	326.94	3.74	-48.50
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643997	0	38	-1.0	-52.03	325.85	4.04	-47.99
CN1C=CC2=CC(S(=O)(=O)NCC3CC(C(=O)[O-])C3)=CC=C21	REAL300017643998	0	39	-1.0	-54.75	335.16	5.86	-48.89
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C1	REAL300017643999	0	35	-1.0	-55.61	311.02	5.65	-49.96
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300017644000	0	41	-1.0	-51.20	360.32	4.59	-46.61
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2F)CC1	REAL300017666690	0	33	-1.0	-44.43	308.64	5.29	-39.14
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)CC1	REAL300017666691	0	36	-1.0	-45.33	334.58	6.82	-38.51
N#CC1=CC=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666692	0	34	-1.0	-48.31	295.34	4.69	-43.62
CC1=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=CC=C1Br	REAL300017666693	0	36	-1.0	-42.91	327.98	6.02	-36.89
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2Br)CC1	REAL300017666694	0	33	-1.0	-45.41	298.64	5.21	-40.20
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300017666695	0	37	-1.0	-43.10	335.44	4.59	-38.51
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(C)=C1C	REAL300017666696	0	48	-1.0	-43.87	358.44	7.61	-36.26
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)CC1	REAL300017666697	0	42	-1.0	-46.45	351.34	4.78	-41.67
CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017666698	0	38	-1.0	-47.47	332.66	6.04	-41.43
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)S2)CC1	REAL300017666699	0	30	-1.0	-41.69	303.30	4.58	-37.11
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666700	0	51	-1.0	-42.52	385.78	8.45	-34.07
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CC1	REAL300017666701	0	49	-1.0	-43.34	391.33	8.61	-34.73
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300017666702	0	36	-1.0	-43.28	328.19	5.80	-37.48
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)CC1	REAL300017666703	0	43	-1.0	-44.45	351.22	7.33	-37.12
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666704	0	41	-1.0	-45.38	341.71	4.00	-41.38
COC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1OC	REAL300017666705	0	41	-1.0	-46.41	347.22	4.05	-42.36
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)CC1	REAL300017666706	0	40	-1.0	-44.62	334.02	6.75	-37.87
CC1=NOC(C)=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666707	0	35	-1.0	-44.34	300.58	3.72	-40.62
COC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(OC)=C1	REAL300017666708	0	41	-1.0	-45.14	341.74	4.02	-41.12
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)CC1	REAL300017666709	0	41	-1.0	-44.70	343.06	7.24	-37.46
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1Cl	REAL300017666710	0	39	-1.0	-41.79	341.80	7.02	-34.77
CCC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666711	0	39	-1.0	-43.59	332.35	6.24	-37.35
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2F)CC1	REAL300017666712	0	33	-1.0	-44.02	297.33	4.83	-39.19
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666713	0	40	-1.0	-46.45	334.46	5.29	-41.16
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666714	0	36	-1.0	-41.53	314.42	5.74	-35.79
COC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1NC(C)=O	REAL300017666715	0	44	-1.0	-52.60	372.57	3.17	-49.43
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)CC1	REAL300017666716	0	41	-1.0	-47.51	348.32	4.02	-43.49
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)CC1	REAL300017666717	0	37	-1.0	-48.13	324.25	1.65	-46.48
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)CC3=C2)CC1	REAL300017666718	0	38	-1.0	-48.38	331.43	3.30	-45.08
CCOC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1OCC	REAL300017666719	0	47	-1.0	-46.09	390.89	5.89	-40.20
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300017666720	0	33	-1.0	-42.90	306.19	5.32	-37.58
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C=C2)CC1	REAL300017666721	0	33	-1.0	-42.82	310.75	5.42	-37.40
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300017666722	0	35	-1.0	-45.11	317.68	5.47	-39.64
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC1	REAL300017666723	0	39	-1.0	-46.84	335.35	7.12	-39.72
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666724	0	40	-1.0	-49.68	345.82	3.69	-45.99
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300017666725	0	35	-1.0	-47.49	316.73	5.51	-41.98
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666726	0	38	-1.0	-44.02	321.36	5.79	-38.23
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CS2)CC1	REAL300017666727	0	30	-1.0	-44.12	280.43	3.84	-40.28
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300017666728	0	36	-1.0	-45.03	325.64	5.27	-39.76
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300017666729	0	36	-1.0	-43.37	340.01	6.69	-36.68
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666730	0	42	-1.0	-55.37	373.97	3.06	-52.31
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)CC1	REAL300017666731	0	36	-1.0	-47.02	315.45	5.13	-41.89
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCC2)CC1	REAL300017666732	0	42	-1.0	-45.42	338.59	5.95	-39.47
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCCC2)CC1	REAL300017666733	0	45	-1.0	-45.39	354.54	6.51	-38.88
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNN=C2Cl)CC1	REAL300017666734	0	30	-1.0	-46.90	280.95	1.39	-45.51
CC1=CC2=CC=C(S(=O)(=O)N3CCC(C#N)(C(=O)[O-])CC3)C=C2C=C1	REAL300017666735	0	42	-1.0	-45.51	355.81	7.78	-37.73
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CS2)CC1	REAL300017666736	0	30	-1.0	-42.28	293.78	4.44	-37.84
CC1=CSC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666737	0	33	-1.0	-43.73	302.08	4.50	-39.23
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666738	0	46	-1.0	-48.87	385.90	5.16	-43.71
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=C(F)C=CC=C2Cl)CC1	REAL300017666739	0	36	-1.0	-46.61	332.14	6.02	-40.59
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)CC1	REAL300017666740	0	39	-1.0	-48.06	336.63	7.02	-41.04
CCC1=CC(CC)=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(CC)=C1	REAL300017666741	0	51	-1.0	-41.81	381.63	8.77	-33.04
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCOC3=C2)CC1	REAL300017666742	0	38	-1.0	-47.69	325.22	4.68	-43.01
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666743	0	41	-1.0	-46.26	337.91	6.30	-39.96
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CC1	REAL300017666744	0	40	-1.0	-49.08	344.49	4.59	-44.49
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)CC1	REAL300017666745	0	35	-1.0	-45.52	336.66	4.77	-40.75
COC1=CC(OC)=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1Cl	REAL300017666746	0	41	-1.0	-44.10	357.55	4.57	-39.53
COC1=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=CC=C1Cl	REAL300017666747	0	37	-1.0	-43.84	334.06	4.69	-39.15
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)CC1	REAL300017666748	0	36	-1.0	-45.07	321.95	2.22	-42.85
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666749	0	46	-1.0	-49.79	387.30	6.28	-43.51
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CC1	REAL300017666750	0	36	-1.0	-47.67	324.08	3.84	-43.83
CC1=CC=CC(Cl)=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666751	0	36	-1.0	-43.28	307.22	5.99	-37.29
N#CC1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CC1	REAL300017666752	0	40	-1.0	-44.67	340.21	6.94	-37.73
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CCCC2)CC1	REAL300017666753	0	46	-1.0	-45.04	373.25	5.31	-39.73
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CC1	REAL300017666754	0	37	-1.0	-43.66	328.41	5.05	-38.61
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCC3)CC1	REAL300017666755	0	38	-1.0	-45.04	322.14	4.71	-40.33
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1F	REAL300017666756	0	42	-1.0	-49.50	370.86	6.32	-43.18
CC1=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C2=CC=CC(C)=C2S1	REAL300017666757	0	42	-1.0	-44.81	355.62	7.64	-37.17
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CC1	REAL300017666758	0	37	-1.0	-43.45	338.75	5.49	-37.96
CC1=CC(F)=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(F)=C1	REAL300017666759	0	36	-1.0	-44.90	319.39	5.75	-39.15
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CC2)CC1	REAL300017666760	0	40	-1.0	-45.28	339.55	4.14	-41.14
N#CC1=CC=C(CS(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666761	0	37	-1.0	-49.14	333.15	5.94	-43.20
CN(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666762	0	43	-1.0	-48.00	361.99	4.63	-43.37
COC1=CC=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666763	0	37	-1.0	-45.89	318.00	4.14	-41.75
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)CC1	REAL300017666764	0	36	-1.0	-45.79	329.99	6.06	-39.73
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2F)CC1	REAL300017666765	0	33	-1.0	-43.73	307.66	5.29	-38.44
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)CC1	REAL300017666766	0	44	-1.0	-52.40	376.56	4.81	-47.59
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666767	0	37	-1.0	-43.42	318.64	4.76	-38.66
CCC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017666768	0	41	-1.0	-47.40	350.91	6.66	-40.74
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)CC1	REAL300017666769	0	38	-1.0	-49.48	320.51	5.07	-44.41
CC(=O)NC1=NC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)S1	REAL300017666770	0	36	-1.0	-52.05	333.49	2.32	-49.73
COC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=N1	REAL300017666771	0	36	-1.0	-45.70	316.58	1.53	-44.17
CC1C(=O)NC2=CC=C(S(=O)(=O)N3CCC(C#N)(C(=O)[O-])CC3)C=C21	REAL300017666773	0	41	-1.0	-46.47	351.50	3.89	-42.58
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)CC1	REAL300017666774	0	39	-1.0	-47.10	339.24	2.06	-45.04
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666775	0	48	-1.0	-43.31	392.93	8.31	-35.00
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC(C#N)(C(=O)[O-])CC3)=CC=C21	REAL300017666776	0	44	-1.0	-52.27	367.42	5.86	-46.41
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)CC1	REAL300017666777	0	38	-1.0	-45.16	324.43	4.69	-40.47
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3CCCC3=O)C=C2)CC1	REAL300017666778	0	44	-1.0	-51.32	367.28	5.92	-45.40
N#CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300017666779	0	37	-1.0	-45.99	345.21	6.02	-39.97
CN1C(=O)CC2=CC(S(=O)(=O)N3CCC(C#N)(C(=O)[O-])CC3)=CC=C21	REAL300017666780	0	41	-1.0	-47.27	351.82	5.29	-41.98
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)CC1	REAL300017666781	0	38	-1.0	-48.91	336.32	6.33	-42.58
CN1C(=O)OC2=CC(S(=O)(=O)N3CCC(C#N)(C(=O)[O-])CC3)=CC=C21	REAL300017666782	0	39	-1.0	-49.49	342.63	4.80	-44.69
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2)CC1	REAL300017666783	0	38	-1.0	-46.42	346.35	5.66	-40.76
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300017666784	0	37	-1.0	-43.52	334.50	4.63	-38.89
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(F)=C2)CC1	REAL300017666785	0	33	-1.0	-42.25	301.34	4.97	-37.28
CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)S1	REAL300017666786	0	33	-1.0	-43.55	303.28	4.61	-38.94
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)CC1	REAL300017666787	0	35	-1.0	-44.28	323.20	5.71	-38.57
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)S1	REAL300017666788	0	40	-1.0	-47.95	364.28	3.01	-44.94
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666789	0	43	-1.0	-50.92	349.47	4.00	-46.92
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CC1	REAL300017666790	0	30	-1.0	-39.73	302.65	4.62	-35.11
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666791	0	49	-1.0	-48.56	404.60	5.73	-42.83
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCC(C#N)(C(=O)[O-])CC3)=CC=C21	REAL300017666792	0	47	-1.0	-52.26	380.07	6.40	-45.86
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666793	0	39	-1.0	-45.87	344.24	5.48	-40.39
CNC(=O)C1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666794	0	40	-1.0	-49.07	345.92	3.10	-45.97
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(N)=O)C=C2)CC1	REAL300017666795	0	37	-1.0	-48.90	323.96	1.60	-47.30
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCC(C#N)(C(=O)[O-])CC3)C=C2CC1C	REAL300017666796	0	47	-1.0	-51.92	383.05	6.43	-45.49
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)S1	REAL300017666797	0	36	-1.0	-44.11	337.56	4.60	-39.51
N#CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCCCC2)CC1	REAL300017666798	0	41	-1.0	-43.81	321.41	4.93	-38.88
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666799	0	39	-1.0	-51.43	338.87	3.31	-48.12
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)CC1	REAL300017666800	0	39	-1.0	-51.01	345.05	1.84	-49.17
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)CO3)CC1	REAL300017666801	0	39	-1.0	-46.98	345.63	2.26	-44.72
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CN=C2Cl)CC1	REAL300017666802	0	32	-1.0	-46.39	289.25	3.17	-43.22
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(C#N)(C(=O)[O-])CC3)=C2N=C1	REAL300017666803	0	41	-1.0	-48.99	345.04	6.52	-42.47
COC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300017666804	0	39	-1.0	-51.59	336.85	5.79	-45.80
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666805	0	37	-1.0	-42.67	329.02	5.23	-37.44
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CC1	REAL300017666806	0	37	-1.0	-44.19	328.63	5.18	-39.01
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)CC1	REAL300017666807	0	38	-1.0	-50.89	342.70	-0.19	-51.08
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300017666808	0	38	-1.0	-49.94	340.48	6.22	-43.72
N#CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCOCC2)CC1	REAL300017666809	0	36	-1.0	-44.70	298.86	1.58	-43.12
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(F)C=C2)CC1	REAL300017666810	0	36	-1.0	-47.10	318.67	5.62	-41.48
CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(Cl)=C1	REAL300017666811	0	36	-1.0	-45.87	316.37	5.70	-40.17
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)NC(=O)C3=C2)CC1	REAL300017666812	0	39	-1.0	-50.27	344.00	1.22	-49.05
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)N=C3SC=CN32)CC1	REAL300017666813	0	33	-1.0	-47.37	321.81	4.94	-42.43
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666814	0	39	-1.0	-53.34	350.16	2.32	-51.02
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCC(C#N)(C(=O)[O-])CC3)C=C2C1=O	REAL300017666815	0	40	-1.0	-46.94	354.17	4.10	-42.84
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666816	0	41	-1.0	-45.17	356.77	6.27	-38.90
N#CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCCC2)CC1	REAL300017666817	0	38	-1.0	-43.24	307.10	4.01	-39.23
CC1=CC(F)=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666818	0	36	-1.0	-42.58	302.31	5.31	-37.27
N#CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)CC1	REAL300017666819	0	42	-1.0	-44.69	345.23	6.14	-38.55
CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C2=CC=CN=C12	REAL300017666820	0	41	-1.0	-46.38	339.64	5.79	-40.59
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1C	REAL300017666821	0	41	-1.0	-47.39	341.68	7.62	-39.77
CCOC(=O)C1CCCN(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	REAL300017666822	0	47	-1.0	-46.39	383.00	5.55	-40.84
CC1CCN(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	REAL300017666823	0	41	-1.0	-42.62	324.10	4.41	-38.21
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C=C2Cl)CC1	REAL300017666824	0	33	-1.0	-43.80	301.37	5.10	-38.70
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CC1	REAL300017666825	0	35	-1.0	-46.81	319.51	6.90	-39.91
N#CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666826	0	34	-1.0	-47.65	315.65	5.35	-42.30
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)CC1	REAL300017666827	0	45	-1.0	-53.69	374.43	4.18	-49.51
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666828	0	39	-1.0	-52.07	349.22	2.36	-49.71
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CC1	REAL300017666829	0	43	-1.0	-48.36	361.95	8.80	-39.56
CC1CC(C)CN(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1	REAL300017666830	0	44	-1.0	-43.12	340.01	5.25	-37.87
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666831	0	42	-1.0	-48.39	365.10	6.43	-41.96
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CC1	REAL300017666832	0	33	-1.0	-39.64	316.70	5.27	-34.37
CS(=O)(=O)CCCS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666833	0	38	-1.0	-58.78	337.48	0.87	-57.91
COC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(C)=C1C	REAL300017666834	0	43	-1.0	-43.60	338.66	5.04	-38.56
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2Br)CC1	REAL300017666835	0	33	-1.0	-43.06	302.48	5.13	-37.93
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCC(C#N)(C(=O)[O-])CC3)C=C21	REAL300017666836	0	44	-1.0	-46.19	371.85	4.34	-41.85
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Br)C=C2)CC1	REAL300017666837	0	36	-1.0	-46.62	333.56	6.18	-40.44
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)CC1	REAL300017666838	0	38	-1.0	-47.24	329.47	5.23	-42.01
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666839	0	37	-1.0	-44.14	327.11	5.26	-38.88
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666840	0	37	-1.0	-45.60	316.62	5.57	-40.03
N#CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(F)=C1	REAL300017666841	0	34	-1.0	-46.55	312.62	5.16	-41.39
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666842	0	37	-1.0	-45.62	334.57	5.70	-39.92
COC(=O)C1=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=CC=C1OC	REAL300017666843	0	43	-1.0	-48.65	370.63	5.54	-43.11
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1C	REAL300017666844	0	42	-1.0	-45.13	359.34	6.02	-39.11
COC(=O)CCN(C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666845	0	40	-1.0	-46.45	339.55	3.57	-42.88
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	REAL300017666846	0	43	-1.0	-53.76	362.38	0.50	-53.26
CN(C1CCOCC1)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666847	0	42	-1.0	-43.58	336.36	2.89	-40.69
N#CC1(C(=O)[O-])CCN(S(=O)(=O)N2CC3CCC2C3)CC1	REAL300017666848	0	39	-1.0	-42.90	316.94	4.34	-38.56
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)CC1	REAL300017666849	0	42	-1.0	-53.07	358.13	4.87	-48.20
CC1=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300017666850	0	42	-1.0	-47.74	351.46	5.87	-41.87
CCN1N=C(C)C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1C	REAL300017666851	0	42	-1.0	-46.39	344.96	4.62	-41.77
CC(C)N1C=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=N1	REAL300017666852	0	39	-1.0	-46.34	333.28	3.93	-42.41
CC(C)CN1C=NC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666853	0	42	-1.0	-49.49	353.02	5.82	-43.67
CC(C)N1C=NC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666854	0	39	-1.0	-49.23	333.92	5.24	-43.99
CC(C)C1=NC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=CN1	REAL300017666855	0	39	-1.0	-48.58	333.28	3.26	-45.32
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666856	0	45	-1.0	-42.42	338.79	7.52	-34.90
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666857	0	41	-1.0	-54.49	354.54	4.26	-50.23
CC1=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(N)=NO1	REAL300017666858	0	34	-1.0	-44.95	295.91	2.21	-42.74
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCCOCC2=CC=CC=C2)CC1	REAL300017666859	0	46	-1.0	-48.93	389.28	6.39	-42.54
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)CC1	REAL300017666860	0	37	-1.0	-50.68	319.28	4.61	-46.07
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)CC1	REAL300017666861	0	35	-1.0	-50.07	318.95	4.36	-45.71
CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=N1	REAL300017666862	0	35	-1.0	-46.50	306.01	3.66	-42.84
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC1	REAL300017666863	0	33	-1.0	-44.23	309.35	5.58	-38.65
CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(Cl)=N1	REAL300017666864	0	35	-1.0	-46.42	310.05	3.77	-42.65
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666865	0	37	-1.0	-48.28	338.04	5.84	-42.44
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(Cl)C(F)=C2)CC1	REAL300017666866	0	32	-1.0	-42.58	306.25	3.53	-39.05
COC1=NC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1Cl	REAL300017666867	0	36	-1.0	-43.52	331.76	2.07	-41.45
CC1=CC(CS(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=CC(C)=C1	REAL300017666868	0	42	-1.0	-45.47	356.27	6.92	-38.55
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666869	0	44	-1.0	-45.31	367.35	4.43	-40.88
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666870	0	43	-1.0	-53.16	368.68	3.84	-49.32
CC1=CC(F)=CC=C1CS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666871	0	39	-1.0	-45.01	335.34	6.19	-38.82
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CC1	REAL300017666872	0	33	-1.0	-39.89	314.76	6.07	-33.82
CC1CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)CCO1	REAL300017666873	0	40	-1.0	-45.77	323.28	3.48	-42.29
CC(COC1CCCC1)CS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666874	0	49	-1.0	-46.39	389.32	6.19	-40.20
CCOCC(C)CS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666875	0	42	-1.0	-47.75	345.28	4.15	-43.60
CC(CC#N)N(C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666876	0	38	-1.0	-53.37	324.25	3.99	-49.38
COCCN(CCC#N)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666877	0	42	-1.0	-49.68	356.25	3.45	-46.23
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CC1	REAL300017666878	0	33	-1.0	-42.98	309.59	5.24	-37.74
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)CC1	REAL300017666879	0	38	-1.0	-48.22	330.59	5.21	-43.01
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(Br)=C2)CC1	REAL300017666880	0	36	-1.0	-45.73	334.56	6.16	-39.57
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(F)=C2F)CC1	REAL300017666881	0	36	-1.0	-48.85	324.88	5.64	-43.21
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)CC1	REAL300017666882	0	35	-1.0	-45.31	328.18	4.17	-41.14
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666883	0	49	-1.0	-44.52	388.09	6.99	-37.53
CCN(CC(C)C#N)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666884	0	41	-1.0	-46.05	336.79	4.94	-41.11
CC(C#N)CN(C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666885	0	38	-1.0	-46.97	323.52	3.77	-43.20
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CS2)CC1	REAL300017666886	0	36	-1.0	-45.90	323.99	5.42	-40.48
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666887	0	41	-1.0	-50.70	359.29	6.41	-44.29
CC1=CC=C(CS(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1C	REAL300017666888	0	42	-1.0	-46.16	351.66	6.75	-39.41
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)CC1	REAL300017666889	0	36	-1.0	-44.05	328.10	3.94	-40.11
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666890	0	43	-1.0	-49.68	358.96	3.63	-46.05
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)CC1	REAL300017666891	0	44	-1.0	-48.46	369.65	6.16	-42.30
N#CCC1(CS(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	REAL300017666892	0	37	-1.0	-48.12	321.17	5.07	-43.05
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CC1	REAL300017666893	0	41	-1.0	-47.43	359.66	3.40	-44.03
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)CC1	REAL300017666894	0	39	-1.0	-47.56	341.06	5.96	-41.60
CC1=CC=C(CS(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(F)=C1	REAL300017666895	0	39	-1.0	-46.99	339.99	6.26	-40.73
CC(C(=O)N(C)C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666896	0	39	-1.0	-54.50	322.65	3.10	-51.40
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)CC1	REAL300017666897	0	46	-1.0	-47.67	377.25	8.13	-39.54
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=NO1	REAL300017666898	0	44	-1.0	-47.72	371.38	5.56	-42.16
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCC2)CC1	REAL300017666899	0	39	-1.0	-45.51	322.08	5.39	-40.12
CC(C)(C)CCCS(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666900	0	44	-1.0	-45.51	350.58	5.79	-39.72
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)CC1	REAL300017666901	0	42	-1.0	-55.85	350.85	2.00	-53.85
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666902	0	42	-1.0	-44.66	360.71	7.33	-37.33
CC1=C(CCS(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)SC=N1	REAL300017666903	0	38	-1.0	-47.33	337.71	4.07	-43.26
COCC1(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	REAL300017666904	0	37	-1.0	-44.83	313.58	4.08	-40.75
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)CC1	REAL300017666905	0	39	-1.0	-45.95	324.20	7.14	-38.81
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300017666906	0	38	-1.0	-51.80	331.35	6.58	-45.22
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300017666907	0	43	-1.0	-45.38	363.65	8.22	-37.16
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)CC1	REAL300017666908	0	36	-1.0	-43.73	333.71	6.03	-37.70
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666909	0	36	-1.0	-41.92	299.52	5.19	-36.73
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CC1	REAL300017666910	0	33	-1.0	-39.90	325.09	6.50	-33.40
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666911	0	48	-1.0	-43.42	379.90	7.59	-35.83
CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1Cl	REAL300017666912	0	36	-1.0	-43.96	323.98	5.96	-38.00
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666913	0	43	-1.0	-44.55	358.72	5.65	-38.90
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C=C2F)CC1	REAL300017666914	0	33	-1.0	-44.33	313.21	5.39	-38.94
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)CC1	REAL300017666915	0	33	-1.0	-42.99	308.45	4.98	-38.01
CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(F)=C1	REAL300017666916	0	36	-1.0	-46.67	313.35	5.44	-41.23
CC1=CC=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666917	0	36	-1.0	-45.41	295.80	5.18	-40.23
CC1=NC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=CN1C	REAL300017666918	0	36	-1.0	-49.33	313.22	3.74	-45.59
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)CC1	REAL300017666919	0	36	-1.0	-45.07	330.64	5.77	-39.30
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=C(F)C=C2F)CC1	REAL300017666920	0	33	-1.0	-40.94	303.28	4.87	-36.07
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NON=C32)CC1	REAL300017666921	0	34	-1.0	-49.39	304.79	3.61	-45.78
CC1=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=CC=C1F	REAL300017666922	0	36	-1.0	-43.12	315.22	5.53	-37.59
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)CC1	REAL300017666923	0	36	-1.0	-43.83	332.83	5.90	-37.93
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)CC1	REAL300017666924	0	38	-1.0	-49.21	323.46	5.88	-43.33
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)CC1	REAL300017666925	0	36	-1.0	-45.45	324.24	6.38	-39.07
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2F)CC1	REAL300017666926	0	33	-1.0	-45.51	306.81	5.25	-40.26
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C=C2Br)CC1	REAL300017666927	0	33	-1.0	-43.68	303.50	5.16	-38.52
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666928	0	39	-1.0	-43.75	340.49	5.37	-38.38
CC1=CC=C(F)C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666929	0	36	-1.0	-44.36	312.06	5.41	-38.95
COC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1F	REAL300017666930	0	37	-1.0	-45.95	324.20	4.21	-41.74
CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1F	REAL300017666931	0	36	-1.0	-44.39	315.26	5.54	-38.85
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=C(F)C=C2F)CC1	REAL300017666932	0	33	-1.0	-41.56	304.58	5.18	-36.38
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C(F)=C2)CC1	REAL300017666933	0	33	-1.0	-43.04	315.52	5.50	-37.54
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1Cl	REAL300017666934	0	40	-1.0	-47.66	358.70	4.36	-43.30
CC1CCCCN1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666935	0	41	-1.0	-42.04	316.00	4.53	-37.51
CCCN(CCC)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666936	0	43	-1.0	-43.26	348.71	5.21	-38.05
CN(CCC#N)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666937	0	35	-1.0	-48.15	304.96	3.29	-44.86
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2)CC1	REAL300017666939	0	39	-1.0	-47.50	334.66	6.35	-41.15
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1Cl	REAL300017666940	0	36	-1.0	-43.59	326.82	6.55	-37.04
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300017666941	0	36	-1.0	-45.67	345.18	6.52	-39.15
COC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300017666942	0	43	-1.0	-44.88	352.73	6.51	-38.37
CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1C(N)=O	REAL300017666943	0	40	-1.0	-46.60	339.13	2.30	-44.30
COC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1C(N)=O	REAL300017666944	0	41	-1.0	-49.96	350.36	2.21	-47.75
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666945	0	38	-1.0	-44.75	324.04	5.85	-38.90
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(F)=C1	REAL300017666946	0	40	-1.0	-50.76	348.19	3.65	-47.11
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666947	0	38	-1.0	-47.43	320.70	5.81	-41.62
CCOC(=O)C1CCN(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	REAL300017666948	0	47	-1.0	-49.94	379.72	5.36	-44.58
CN1C=NC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1Cl	REAL300017666949	0	33	-1.0	-48.81	305.97	4.40	-44.41
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666950	0	46	-1.0	-50.72	393.17	4.59	-46.13
CCCCN(C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666951	0	40	-1.0	-43.39	327.10	4.34	-39.05
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666952	0	41	-1.0	-47.87	349.68	7.32	-40.55
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666953	0	45	-1.0	-43.38	370.62	7.49	-35.89
COCCC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666954	0	43	-1.0	-44.46	366.03	5.31	-39.15
COCCN(CCOC)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666955	0	45	-1.0	-48.28	366.21	2.94	-45.34
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666956	0	36	-1.0	-41.55	309.84	5.64	-35.91
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)CC1	REAL300017666957	0	40	-1.0	-51.09	353.47	6.12	-44.97
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1F	REAL300017666958	0	39	-1.0	-48.79	353.18	5.49	-43.30
COC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C(Cl)=C1Cl	REAL300017666959	0	37	-1.0	-45.87	337.95	4.84	-41.03
CC1=CC(Br)=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)S1	REAL300017666960	0	33	-1.0	-44.43	319.39	5.39	-39.04
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=NC=C(Cl)N=C3C=C2)CC1	REAL300017666961	0	37	-1.0	-45.16	341.28	3.72	-41.44
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2F)CC1	REAL300017666962	0	38	-1.0	-48.10	348.03	5.56	-42.54
CC1=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C(Br)S1	REAL300017666963	0	33	-1.0	-42.12	311.36	4.99	-37.13
COC(=O)C1=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=CN1	REAL300017666964	0	37	-1.0	-49.52	331.94	3.18	-46.34
N#CC1=CC(F)=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666965	0	34	-1.0	-45.95	301.52	4.71	-41.24
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666966	0	34	-1.0	-45.66	311.86	5.16	-40.50
CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1Br	REAL300017666967	0	36	-1.0	-43.98	327.98	6.04	-37.94
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666968	0	36	-1.0	-44.99	301.18	5.22	-39.77
COC(=O)CN1C=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=N1	REAL300017666969	0	39	-1.0	-53.92	347.84	3.61	-50.31
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CC1	REAL300017666970	0	39	-1.0	-43.38	338.53	7.56	-35.82
CCC1=NC2=CC(S(=O)(=O)N3CCC(C#N)(C(=O)[O-])CC3)=CC=C2O1	REAL300017666971	0	41	-1.0	-47.45	353.69	3.24	-44.21
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666972	0	39	-1.0	-45.29	349.70	5.56	-39.73
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666973	0	42	-1.0	-45.02	371.62	6.48	-38.54
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CC1	REAL300017666974	0	40	-1.0	-46.39	348.96	6.48	-39.91
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666975	0	48	-1.0	-45.92	379.25	5.73	-40.19
CC1=C(Br)SC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666976	0	33	-1.0	-43.60	322.65	5.15	-38.45
CC1=CC=C(CS(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1F	REAL300017666977	0	39	-1.0	-46.52	339.95	6.25	-40.27
COCCC(C)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666978	0	39	-1.0	-45.96	319.72	3.13	-42.83
N#CCC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666979	0	37	-1.0	-48.66	331.71	5.97	-42.69
COC(=O)C1=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=CC(F)=C1F	REAL300017666980	0	39	-1.0	-46.74	355.06	5.57	-41.17
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)CC1	REAL300017666981	0	45	-1.0	-47.73	372.90	6.29	-41.44
N#CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CC1	REAL300017666982	0	51	-1.0	-41.98	376.50	6.47	-35.51
CC1=NC2=C(S(=O)(=O)N3CCC(C#N)(C(=O)[O-])CC3)C=CC=C2C=C1	REAL300017666983	0	41	-1.0	-50.99	346.38	6.31	-44.68
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300017666984	0	41	-1.0	-52.46	353.28	6.72	-45.74
CCN(CC1CC1)S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666985	0	41	-1.0	-42.51	338.54	5.16	-37.35
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)CC1	REAL300017666986	0	44	-1.0	-46.27	365.64	3.38	-42.89
CCCN1C=NC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666987	0	39	-1.0	-49.43	335.82	5.59	-43.84
N#CC1=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=CS1	REAL300017666988	0	31	-1.0	-47.36	293.76	3.99	-43.37
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCC(F)CC2)CC1	REAL300017666989	0	42	-1.0	-46.78	337.57	6.05	-40.73
CC1=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=CC=C1Cl	REAL300017666990	0	36	-1.0	-43.01	323.96	5.94	-37.07
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CC1	REAL300017666991	0	39	-1.0	-50.82	336.62	5.83	-44.99
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC(C#N)(C(=O)[O-])CC3)C=C2)=N1	REAL300017666992	0	42	-1.0	-46.18	375.68	6.28	-39.90
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666993	0	42	-1.0	-47.02	365.92	6.04	-40.98
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)CC1	REAL300017666994	0	36	-1.0	-44.87	333.07	6.06	-38.81
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666995	0	40	-1.0	-51.92	344.42	2.28	-49.64
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1	REAL300017666996	0	48	-1.0	-46.76	399.32	7.14	-39.62
CCC1CCN(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)CC1	REAL300017666997	0	44	-1.0	-42.78	342.26	5.07	-37.71
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C(F)C=C2)CC1	REAL300017666998	0	39	-1.0	-47.06	340.17	6.40	-40.66
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2F)CC1	REAL300017666999	0	39	-1.0	-47.48	339.32	6.37	-41.11
N#CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2Cl)CC1	REAL300017667000	0	39	-1.0	-46.62	346.43	6.70	-39.92
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017692762	0	35	-1.0	-51.79	319.52	6.29	-45.50
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017692763	0	35	-1.0	-44.82	343.77	6.97	-37.85
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017692764	0	35	-1.0	-44.87	324.66	6.34	-38.53
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300017692765	0	35	-1.0	-48.86	331.00	6.74	-42.12
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC	REAL300017692766	0	43	-1.0	-53.69	362.64	4.05	-49.64
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300017692767	0	36	-1.0	-50.39	313.26	6.17	-44.22
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300017692768	0	43	-1.0	-50.03	357.32	5.16	-44.87
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017692769	0	44	-1.0	-51.12	382.79	5.21	-45.91
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1	REAL300017692770	0	38	-1.0	-44.96	351.76	6.29	-38.67
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300017692771	0	42	-1.0	-46.00	378.03	4.79	-41.21
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017692772	0	43	-1.0	-62.48	386.23	7.25	-55.23
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300017692773	0	42	-1.0	-49.57	359.20	6.02	-43.55
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1C	REAL300017692774	0	35	-1.0	-46.04	331.03	6.93	-39.11
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300017692775	0	40	-1.0	-51.53	345.50	7.44	-44.09
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017692776	0	40	-1.0	-55.83	351.08	6.74	-49.09
C=CCN(CCC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017692777	0	38	-1.0	-53.59	327.14	1.78	-51.81
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300017692778	0	42	-1.0	-53.06	368.52	6.38	-46.68
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017692779	0	37	-1.0	-48.77	335.60	5.61	-43.16
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300017692780	0	36	-1.0	-50.81	325.67	5.02	-45.79
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C=C1C	REAL300017692781	0	42	-1.0	-48.16	347.40	6.14	-42.02
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300017692782	0	40	-1.0	-52.40	364.91	1.63	-50.77
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1C(=O)OC	REAL300017692783	0	41	-1.0	-56.48	359.48	7.24	-49.24
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017692784	0	36	-1.0	-50.29	314.37	5.62	-44.67
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C=C1	REAL300017692785	0	36	-1.0	-47.02	327.61	6.47	-40.55
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OCCC)C=C1	REAL300017692786	0	44	-1.0	-46.84	385.53	7.83	-39.01
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)CC)C=C1	REAL300017692787	0	42	-1.0	-51.10	364.06	5.15	-45.95
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017692788	0	38	-1.0	-52.82	350.25	7.23	-45.59
C=CCN(CCC(=O)[O-])S(=O)(=O)N(CC)CC1=CC=CC=C1	REAL300017692789	0	43	-1.0	-49.12	354.88	7.10	-42.02
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC)C(C)=N1	REAL300017692790	0	38	-1.0	-50.19	333.49	5.24	-44.95
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017692791	0	31	-1.0	-43.33	306.83	4.35	-38.98
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017692792	0	38	-1.0	-51.66	326.84	5.17	-46.49
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017692793	0	37	-1.0	-51.27	310.07	5.30	-45.97
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017692794	0	44	-1.0	-50.12	377.01	7.29	-42.83
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017692795	0	32	-1.0	-46.42	296.15	5.48	-40.94
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017692796	0	32	-1.0	-46.46	311.15	6.05	-40.41
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300017692797	0	38	-1.0	-44.59	341.77	6.96	-37.63
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017692798	0	38	-1.0	-53.49	361.29	6.25	-47.24
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300017692799	0	40	-1.0	-50.58	354.66	5.19	-45.39
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017692800	0	35	-1.0	-46.61	337.56	6.84	-39.77
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300017692801	0	36	-1.0	-52.07	329.32	2.50	-49.57
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017692802	0	41	-1.0	-49.44	368.96	8.28	-41.16
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300017692803	0	39	-1.0	-50.05	342.40	5.16	-44.89
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017692804	0	34	-1.0	-46.98	323.74	6.42	-40.56
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1	REAL300017692805	0	41	-1.0	-54.67	386.75	6.64	-48.03
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(=O)OC	REAL300017692806	0	38	-1.0	-55.24	341.04	7.18	-48.06
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017692807	0	35	-1.0	-51.59	324.52	6.63	-44.96
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017692808	0	44	-1.0	-65.00	384.87	3.97	-61.03
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017692809	0	39	-1.0	-49.85	357.19	6.00	-43.85
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017692810	0	32	-1.0	-48.33	316.96	6.44	-41.89
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017692811	0	40	-1.0	-46.77	357.99	2.88	-43.89
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1	REAL300017692844	0	41	-1.0	-50.35	369.48	7.07	-43.28
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017692845	0	40	-1.0	-56.09	352.15	6.29	-49.80
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017692846	0	32	-1.0	-48.62	302.07	5.88	-42.74
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(=O)N(C)CCCC	REAL300017692847	0	51	-1.0	-51.69	410.09	9.09	-42.60
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017692848	0	35	-1.0	-51.17	338.10	7.11	-44.06
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017692849	0	33	-1.0	-44.95	311.32	6.08	-38.87
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300017692850	0	39	-1.0	-49.97	359.97	4.93	-45.04
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300017692851	0	40	-1.0	-48.00	344.39	6.05	-41.95
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl	REAL300017692852	0	36	-1.0	-47.95	346.19	5.99	-41.96
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(CC)C=CC=C1CC	REAL300017692853	0	44	-1.0	-49.32	343.21	8.35	-40.97
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300017692854	0	44	-1.0	-52.96	369.55	4.00	-48.96
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300017692855	0	35	-1.0	-55.10	334.85	5.14	-49.96
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC	REAL300017692856	0	41	-1.0	-56.43	371.91	8.11	-48.32
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017692857	0	43	-1.0	-48.96	393.70	8.82	-40.14
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017692858	0	38	-1.0	-55.69	355.99	6.22	-49.47
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017692859	0	38	-1.0	-53.25	371.61	6.70	-46.55
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300017692860	0	41	-1.0	-51.57	353.25	6.81	-44.76
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017692861	0	34	-1.0	-44.08	337.80	6.76	-37.32
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(F)=C1OC	REAL300017692862	0	36	-1.0	-46.51	341.13	6.29	-40.22
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300017692863	0	44	-1.0	-47.73	365.36	6.00	-41.73
C=CCN(CCC(=O)[O-])S(=O)(=O)C1CCN(C(=O)OCC)CC1	REAL300017692864	0	46	-1.0	-56.28	378.95	5.36	-50.92
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300017692865	0	41	-1.0	-55.04	363.70	4.50	-50.54
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017692866	0	31	-1.0	-44.13	315.41	4.53	-39.60
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017692867	0	35	-1.0	-48.40	317.56	5.85	-42.55
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017692868	0	35	-1.0	-51.05	313.38	4.09	-46.96
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017692869	0	40	-1.0	-49.22	341.98	6.09	-43.13
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300017692870	0	36	-1.0	-51.34	325.14	5.11	-46.23
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21	REAL300017692871	0	41	-1.0	-56.17	368.58	8.01	-48.16
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)OC)C=C1	REAL300017692872	0	41	-1.0	-52.84	364.37	6.88	-45.96
C=CCN(CCC(=O)[O-])S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017692873	0	39	-1.0	-49.54	329.30	7.20	-42.34
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300017692874	0	42	-1.0	-51.62	370.82	7.26	-44.36
C=CCN(CCC(=O)[O-])S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017692875	0	50	-1.0	-57.01	424.86	7.42	-49.59
C=CCN(CCC(=O)[O-])S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017692876	0	50	-1.0	-51.19	414.39	7.12	-44.07
C=CCN(CCC(=O)[O-])S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017692877	0	47	-1.0	-52.46	407.93	6.61	-45.85
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300017692878	0	34	-1.0	-46.00	328.01	5.86	-40.14
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300017692879	0	43	-1.0	-57.28	366.49	6.48	-50.80
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017692880	0	32	-1.0	-49.08	319.30	6.71	-42.37
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017692881	0	32	-1.0	-44.57	324.42	6.53	-38.04
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300017692882	0	42	-1.0	-50.76	345.15	6.96	-43.80
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300017692883	0	36	-1.0	-46.53	327.30	6.33	-40.20
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300017692884	0	38	-1.0	-52.33	347.59	6.16	-46.17
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300017692885	0	36	-1.0	-50.25	328.79	5.91	-44.34
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1C	REAL300017692886	0	39	-1.0	-49.10	325.44	5.22	-43.88
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017692887	0	33	-1.0	-45.40	328.77	6.36	-39.04
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300017692888	0	39	-1.0	-49.48	349.53	6.12	-43.36
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1	REAL300017692889	0	38	-1.0	-47.56	364.34	6.28	-41.28
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1	REAL300017692890	0	39	-1.0	-51.47	349.45	4.49	-46.98
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300017692891	0	40	-1.0	-50.03	359.66	5.35	-44.68
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017692892	0	36	-1.0	-50.00	333.76	5.11	-44.89
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017692893	0	35	-1.0	-47.66	332.61	6.52	-41.14
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300017692894	0	43	-1.0	-52.06	379.19	2.40	-49.66
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2SC(C(=O)OCC)=CC2=C1	REAL300017692895	0	44	-1.0	-47.34	401.93	8.49	-38.85
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017692896	0	36	-1.0	-51.62	329.59	6.60	-45.02
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1Br	REAL300017692897	0	36	-1.0	-46.76	323.19	5.10	-41.66
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017692898	0	37	-1.0	-59.19	344.18	1.01	-58.18
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300017692899	0	38	-1.0	-49.53	330.85	4.95	-44.58
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300017692900	0	38	-1.0	-54.18	333.27	6.68	-47.50
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017692901	0	32	-1.0	-46.68	317.26	6.65	-40.03
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300017692902	0	38	-1.0	-45.05	316.94	6.93	-38.12
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017692903	0	32	-1.0	-48.28	315.64	6.45	-41.83
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2	REAL300017692904	0	42	-1.0	-51.48	362.72	2.61	-48.87
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)S1	REAL300017692905	0	30	-1.0	-44.42	300.26	5.00	-39.42
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017692906	0	33	-1.0	-49.41	310.43	3.99	-45.42
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=CC(OC)=C1	REAL300017692907	0	35	-1.0	-48.86	312.90	2.93	-45.93
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017692908	0	32	-1.0	-45.91	310.46	6.02	-39.89
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300017692909	0	42	-1.0	-50.97	370.36	6.18	-44.79
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017692910	0	36	-1.0	-55.95	339.53	2.74	-53.21
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OCC)=C1	REAL300017692911	0	39	-1.0	-52.38	338.70	5.66	-46.72
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017692912	0	43	-1.0	-51.27	363.29	6.87	-44.40
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017692913	0	36	-1.0	-50.10	344.95	6.65	-43.45
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017692951	0	33	-1.0	-46.41	314.28	6.00	-40.41
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300017692952	0	36	-1.0	-50.68	316.98	6.31	-44.37
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1	REAL300017692953	0	46	-1.0	-52.63	384.54	4.85	-47.78
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300017692954	0	40	-1.0	-50.23	362.07	6.58	-43.65
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300017692955	0	37	-1.0	-45.55	331.54	6.62	-38.93
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Br	REAL300017692956	0	35	-1.0	-50.33	317.24	6.44	-43.89
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300017692957	0	35	-1.0	-49.31	329.38	4.27	-45.04
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300017692958	0	43	-1.0	-52.31	377.30	6.28	-46.03
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017692959	0	34	-1.0	-49.95	320.32	4.94	-45.01
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300017692960	0	42	-1.0	-56.22	365.66	6.10	-50.12
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CS1	REAL300017692961	0	33	-1.0	-50.71	306.96	4.52	-46.19
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300017692962	0	42	-1.0	-63.01	362.88	5.26	-57.75
C=CCN(CCC(=O)[O-])S(=O)(=O)CCCC(F)(F)F	REAL300017692963	0	34	-1.0	-51.72	312.41	5.13	-46.59
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017692964	0	37	-1.0	-56.66	334.30	5.52	-51.14
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017692965	0	38	-1.0	-53.83	334.31	3.12	-50.71
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017692966	0	44	-1.0	-51.48	361.55	5.99	-45.49
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017692967	0	34	-1.0	-48.01	323.05	4.69	-43.32
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300017692968	0	35	-1.0	-50.79	314.29	6.36	-44.43
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300017692969	0	40	-1.0	-53.33	339.37	5.96	-47.37
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300017692970	0	34	-1.0	-45.17	318.97	4.67	-40.50
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017692971	0	38	-1.0	-50.81	339.66	4.53	-46.28
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017692972	0	31	-1.0	-45.26	309.69	5.24	-40.02
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017692973	0	41	-1.0	-46.48	360.82	7.10	-39.38
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300017692974	0	36	-1.0	-55.18	324.52	6.38	-48.80
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300017692975	0	40	-1.0	-50.89	346.31	4.04	-46.85
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017692976	0	33	-1.0	-49.60	313.92	6.09	-43.51
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017692977	0	38	-1.0	-53.77	336.53	6.81	-46.96
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300017692978	0	40	-1.0	-57.07	335.26	6.92	-50.15
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC)C(CC)=C1	REAL300017692979	0	44	-1.0	-48.95	364.40	8.00	-40.95
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300017692980	0	40	-1.0	-44.58	338.79	7.51	-37.07
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300017692981	0	35	-1.0	-50.88	319.27	6.71	-44.17
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)OC(C(=O)OC)=C1	REAL300017692982	0	38	-1.0	-45.96	340.86	4.88	-41.08
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)S1	REAL300017692983	0	35	-1.0	-49.89	321.73	5.88	-44.01
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1F	REAL300017692984	0	35	-1.0	-52.40	301.14	6.16	-46.24
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017692985	0	33	-1.0	-46.25	309.96	3.35	-42.90
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(CC)S1	REAL300017692986	0	34	-1.0	-46.43	317.58	4.04	-42.39
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017692987	0	38	-1.0	-57.41	337.07	7.56	-49.85
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CSN=C1C(=O)OC	REAL300017692988	0	34	-1.0	-53.46	320.10	4.11	-49.35
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300017692989	0	34	-1.0	-51.56	325.24	3.77	-47.79
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300017692990	0	38	-1.0	-46.67	335.31	6.80	-39.87
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017692991	0	40	-1.0	-63.73	346.91	3.89	-59.84
C=CCN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017692992	0	43	-1.0	-49.55	350.94	3.44	-46.11
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)OC)=C1	REAL300017692993	0	39	-1.0	-48.15	349.08	5.53	-42.62
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017692994	0	31	-1.0	-46.06	300.07	4.17	-41.89
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1F	REAL300017692995	0	35	-1.0	-54.06	310.17	6.06	-48.00
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300017692996	0	43	-1.0	-48.26	370.89	7.31	-40.95
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017692997	0	35	-1.0	-50.55	332.99	6.72	-43.83
C=CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017692998	0	35	-1.0	-51.53	333.79	6.77	-44.76
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017692999	0	32	-1.0	-51.22	299.09	6.08	-45.14
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300017693000	0	35	-1.0	-49.57	316.11	6.20	-43.37
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(C)C(F)=C2)C1	REAL300017747119	0	36	-1.0	-41.29	319.57	4.19	-37.10
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(CC#N)C=C2)C1	REAL300017747120	0	34	-1.0	-62.76	314.40	4.07	-58.69
COC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CC(F)=C1F	REAL300017747121	0	36	-1.0	-41.05	335.95	3.52	-37.53
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C1	REAL300017747122	0	42	-1.0	-44.42	354.71	4.22	-40.20
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300017747123	0	48	-1.0	-51.66	358.80	4.36	-47.30
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)C1	REAL300017747124	0	38	-1.0	-64.86	333.84	4.15	-60.71
COC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300017747125	0	38	-1.0	-49.26	333.86	4.65	-44.61
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300017747126	0	41	-1.0	-44.53	348.08	1.09	-43.44
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747127	0	44	-1.0	-43.18	388.31	3.86	-39.32
CCCN1C=NC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747128	0	36	-1.0	-61.00	319.48	3.66	-57.34
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=C(C#N)C=C2F)C1	REAL300017747129	0	31	-1.0	-51.35	318.35	3.86	-47.49
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C#N)SC=C2)C1	REAL300017747130	0	28	-1.0	-57.97	282.54	2.30	-55.67
COC1(C(=O)[O-])CN(S(=O)(=O)CC2CCC(F)CC2)C1	REAL300017747131	0	39	-1.0	-60.45	321.34	4.12	-56.33
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C)=C2)C1	REAL300017747132	0	33	-1.0	-39.97	305.79	3.88	-36.09
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300017747133	0	36	-1.0	-50.80	318.44	3.62	-47.18
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C3=NC(C)=CS3)C=C2)C1	REAL300017747134	0	39	-1.0	-44.66	357.17	4.01	-40.65
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1F	REAL300017747135	0	36	-1.0	-55.36	347.28	4.09	-51.27
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747136	0	39	-1.0	-58.94	352.92	4.24	-54.70
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC(Br)=C2C)C1	REAL300017747137	0	36	-1.0	-59.37	329.91	4.73	-54.64
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300017747138	0	33	-1.0	-58.40	315.99	4.15	-54.25
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300017747139	0	30	-1.0	-38.00	308.35	3.91	-34.09
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=CC(C(N)=O)=C2)C1	REAL300017747140	0	37	-1.0	-49.86	326.25	0.21	-49.65
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747141	0	55	-1.0	-42.94	451.27	7.47	-35.47
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747142	0	45	-1.0	-59.17	382.02	5.24	-53.93
CCC1CCN(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)CC1	REAL300017747143	0	41	-1.0	-52.20	328.04	3.30	-48.90
COC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300017747144	0	36	-1.0	-58.52	323.94	4.48	-54.04
COC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300017747145	0	36	-1.0	-59.74	323.09	4.45	-55.29
COC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300017747146	0	36	-1.0	-58.79	330.20	4.79	-54.00
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747147	0	34	-1.0	-39.19	321.60	3.20	-35.99
COC1=CC2=C(C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1)C(=O)NCCC2	REAL300017747148	0	45	-1.0	-67.43	376.54	1.79	-65.64
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(CCN(C(C)=O)C3)S2)C1	REAL300017747149	0	41	-1.0	-47.53	360.75	2.99	-44.54
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C3=CC(C#N)=CC=C3S2)C1	REAL300017747150	0	37	-1.0	-42.19	343.15	5.25	-36.94
COC1CCN(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)CC1	REAL300017747151	0	39	-1.0	-44.44	321.87	0.71	-43.73
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300017747152	0	33	-1.0	-57.82	319.23	4.27	-53.55
CCC(C)OC1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747153	0	43	-1.0	-43.18	360.38	4.45	-38.73
COC1(C(=O)[O-])CN(S(=O)(=O)CC(C)CC(F)(F)F)C1	REAL300017747154	0	35	-1.0	-45.42	305.66	2.85	-42.57
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C1	REAL300017747155	0	37	-1.0	-49.09	328.70	4.24	-44.85
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C3=NC(C)=CO3)=CC=C2C)C1	REAL300017747156	0	42	-1.0	-44.24	353.88	2.33	-41.91
COC1=CC(F)=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747157	0	34	-1.0	-55.38	306.96	2.78	-52.60
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)O1	REAL300017747158	0	36	-1.0	-44.62	327.77	2.16	-42.46
CCC1=NC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CN1CC1CC1	REAL300017747159	0	43	-1.0	-51.64	358.80	5.08	-46.56
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CN(C(C)=O)CC3=C2)C1	REAL300017747160	0	41	-1.0	-50.30	355.94	3.13	-47.17
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300017747161	0	33	-1.0	-53.23	311.91	2.41	-50.82
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300017747162	0	33	-1.0	-50.80	318.31	2.50	-48.30
CCCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C(C)C	REAL300017747163	0	49	-1.0	-43.01	401.78	5.83	-37.18
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2C)C1	REAL300017747164	0	38	-1.0	-53.82	330.97	5.03	-48.79
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C3CC3)C=NN2C)C1	REAL300017747165	0	37	-1.0	-43.40	315.89	2.71	-40.69
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300017747166	0	43	-1.0	-52.08	368.78	4.98	-47.10
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300017747167	0	44	-1.0	-44.25	387.80	6.13	-38.12
COC(CS(=O)(=O)N1CC(OC)(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300017747168	0	40	-1.0	-66.87	342.50	4.20	-62.67
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C1	REAL300017747169	0	42	-1.0	-43.99	354.55	4.20	-39.79
COC(=O)NC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1Cl	REAL300017747170	0	38	-1.0	-41.67	352.21	1.67	-40.00
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CC(OC)(C(=O)[O-])C3)C=CC=C12	REAL300017747171	0	42	-1.0	-45.41	353.97	5.27	-40.14
COC(=O)NC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C	REAL300017747172	0	41	-1.0	-48.30	356.03	1.96	-46.34
COC1(C(=O)[O-])CN(S(=O)(=O)CC2(C(F)F)CCCC2)C1	REAL300017747173	0	39	-1.0	-44.86	311.68	4.05	-40.81
CCOC1(CS(=O)(=O)N2CC(OC)(C(=O)[O-])C2)CCOCC1	REAL300017747174	0	44	-1.0	-61.18	349.74	1.65	-59.53
CCOC(CS(=O)(=O)N1CC(OC)(C(=O)[O-])C1)C1CC1	REAL300017747175	0	40	-1.0	-45.18	335.57	3.07	-42.11
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1F	REAL300017747176	0	36	-1.0	-55.43	336.96	3.65	-51.78
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(C=C2Cl)N(C(C)=O)CC3)C1	REAL300017747177	0	41	-1.0	-55.59	356.08	4.19	-51.40
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(F)(F)F)=NN2C)C1	REAL300017747178	0	33	-1.0	-48.31	312.75	1.54	-46.77
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300017747179	0	41	-1.0	-44.69	370.94	6.73	-37.96
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=C(Br)C=C2C)C1	REAL300017747180	0	33	-1.0	-37.01	302.95	3.89	-33.12
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C)=C2Br)C1	REAL300017747181	0	33	-1.0	-56.02	301.74	3.92	-52.10
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747182	0	36	-1.0	-57.91	322.45	3.70	-54.21
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300017747183	0	38	-1.0	-44.79	328.40	0.39	-44.40
COC1=CC(Br)=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747184	0	34	-1.0	-41.67	321.13	2.70	-38.97
COC1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017747185	0	36	-1.0	-41.79	325.85	3.52	-38.27
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)C1	REAL300017747186	0	36	-1.0	-55.24	321.20	4.48	-50.76
COCCN1C=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=N1	REAL300017747187	0	37	-1.0	-45.27	330.70	0.17	-45.10
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)N(CC3CC3)N=C2C)C1	REAL300017747188	0	43	-1.0	-55.13	362.34	4.36	-50.77
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300017747189	0	37	-1.0	-47.52	335.29	3.08	-44.44
COC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300017747190	0	38	-1.0	-61.44	345.75	5.08	-56.36
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(F)C(Br)=C2)C1	REAL300017747191	0	30	-1.0	-38.66	297.33	3.44	-35.22
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(F)C=C2F)C1	REAL300017747192	0	33	-1.0	-59.89	307.74	3.74	-56.15
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300017747193	0	37	-1.0	-55.62	334.94	0.63	-54.99
CCN1C(=O)OC2=CC(S(=O)(=O)N3CC(OC)(C(=O)[O-])C3)=CC=C21	REAL300017747194	0	39	-1.0	-44.44	346.28	3.74	-40.70
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(Br)=C2C)C1	REAL300017747195	0	33	-1.0	-53.32	300.47	3.99	-49.33
COCC1=CC=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747196	0	37	-1.0	-51.64	311.84	2.58	-49.06
COC1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CC=C1Br	REAL300017747197	0	34	-1.0	-41.03	320.26	2.75	-38.28
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)SC(S(C)(=O)=O)=C2)C1	REAL300017747198	0	33	-1.0	-58.23	339.07	-0.08	-58.31
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300017747199	0	33	-1.0	-47.58	314.90	1.63	-45.95
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C1	REAL300017747200	0	41	-1.0	-44.54	347.78	3.89	-40.65
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C1	REAL300017747201	0	38	-1.0	-46.20	349.28	-0.45	-46.65
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1F	REAL300017747202	0	41	-1.0	-45.44	370.74	0.44	-45.00
CCC(=O)NCC1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CC=C1OC	REAL300017747203	0	47	-1.0	-47.69	401.24	1.94	-45.75
CCC1=CC=C(CS(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747204	0	39	-1.0	-60.08	338.92	5.08	-55.00
COC1=CC=C(Br)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747205	0	34	-1.0	-56.00	312.99	2.65	-53.35
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300017747206	0	45	-1.0	-44.24	384.09	3.22	-41.02
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747207	0	39	-1.0	-52.42	352.50	1.20	-51.22
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C1	REAL300017747208	0	32	-1.0	-40.69	318.61	2.69	-38.00
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Br)C(C(C)=O)=C2)C1	REAL300017747209	0	35	-1.0	-40.96	329.39	3.89	-37.07
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(C)=O)=CC=C2Cl)C1	REAL300017747210	0	35	-1.0	-63.34	324.16	3.77	-59.57
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CC(C#N)=C2)C1	REAL300017747211	0	31	-1.0	-37.85	312.45	3.78	-34.07
CCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1Br	REAL300017747212	0	37	-1.0	-43.81	342.10	3.53	-40.28
COC1(C(=O)[O-])CN(S(=O)(=O)CCNC(=O)OCC2=CC=CC=C2)C1	REAL300017747213	0	44	-1.0	-48.79	387.70	2.08	-46.71
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=C(F)C=CC=C2F)C1	REAL300017747214	0	33	-1.0	-61.98	306.65	3.70	-58.28
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747215	0	43	-1.0	-53.52	382.57	4.34	-49.18
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCOC(C)(C)C2)C1	REAL300017747216	0	39	-1.0	-53.66	318.30	1.11	-52.55
COC1=C(C)C=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C	REAL300017747217	0	40	-1.0	-44.01	341.63	3.58	-40.43
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCCC(C)C)C=C2)C1	REAL300017747218	0	46	-1.0	-54.08	384.06	5.22	-48.86
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300017747219	0	44	-1.0	-43.45	364.98	4.73	-38.72
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(C)C)C=C2)C1	REAL300017747220	0	43	-1.0	-43.15	363.89	4.26	-38.89
CCCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747221	0	40	-1.0	-54.26	344.99	3.92	-50.34
COC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1Cl	REAL300017747222	0	34	-1.0	-44.05	315.86	2.49	-41.56
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300017747223	0	34	-1.0	-44.31	325.61	2.76	-41.55
COC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C	REAL300017747224	0	37	-1.0	-43.11	319.89	2.82	-40.29
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC(C)C)C(C)=C2)C1	REAL300017747225	0	43	-1.0	-43.00	359.68	4.37	-38.63
COC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C(C)=C1	REAL300017747226	0	37	-1.0	-43.62	309.53	2.49	-41.13
COCCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747227	0	41	-1.0	-45.47	355.91	2.04	-43.43
COCCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C	REAL300017747228	0	44	-1.0	-46.06	375.37	3.01	-43.05
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300017747229	0	33	-1.0	-61.55	301.34	3.68	-57.87
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747230	0	41	-1.0	-52.04	361.09	2.30	-49.74
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300017747231	0	45	-1.0	-46.76	375.71	1.99	-44.77
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C(=O)N(C)C)=C2)C1	REAL300017747232	0	40	-1.0	-54.21	339.62	2.31	-51.90
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C)C=C2Br)C1	REAL300017747233	0	33	-1.0	-55.24	304.94	4.02	-51.22
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2Cl)C1	REAL300017747234	0	36	-1.0	-50.31	336.30	0.60	-49.71
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747235	0	36	-1.0	-60.28	327.52	4.31	-55.97
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C1	REAL300017747236	0	31	-1.0	-38.38	306.54	3.58	-34.80
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Br)C=C2C)C1	REAL300017747237	0	33	-1.0	-40.88	301.21	3.81	-37.07
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C([N+](=O)[O-])C=CC(C)=C2C)C1	REAL300017747238	0	38	-1.0	-62.80	323.73	5.57	-57.23
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747239	0	36	-1.0	-58.19	336.20	3.94	-54.25
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2C)C1	REAL300017747240	0	39	-1.0	-64.44	343.08	1.00	-63.44
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)C1	REAL300017747241	0	34	-1.0	-41.92	315.53	4.60	-37.32
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C1	REAL300017747242	0	31	-1.0	-38.75	306.58	3.58	-35.17
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747243	0	46	-1.0	-46.65	380.38	4.19	-42.46
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300017747244	0	42	-1.0	-47.31	379.96	0.39	-46.92
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747245	0	38	-1.0	-47.80	347.54	-1.29	-49.09
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(CCNC(C)=O)S2)C1	REAL300017747246	0	40	-1.0	-63.42	368.28	1.82	-61.60
COC(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)O1	REAL300017747247	0	33	-1.0	-43.92	309.87	1.58	-42.34
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)N=C(C)S2)C1	REAL300017747248	0	32	-1.0	-55.24	300.16	1.37	-53.87
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300017747249	0	32	-1.0	-47.52	291.75	4.16	-43.36
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300017747250	0	33	-1.0	-58.51	329.49	4.65	-53.86
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C(C)N1	REAL300017747251	0	43	-1.0	-45.03	366.34	3.45	-41.58
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300017747252	0	30	-1.0	-42.78	289.99	3.70	-39.08
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C3=CSC(C)=N3)S2)C1	REAL300017747253	0	36	-1.0	-55.06	351.60	3.46	-51.60
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300017747254	0	50	-1.0	-43.13	405.52	6.16	-36.97
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C(=O)NCC(F)(F)F)=C2)C1	REAL300017747255	0	40	-1.0	-49.81	367.60	2.21	-47.60
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747256	0	39	-1.0	-60.57	337.16	4.13	-56.44
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C1	REAL300017747257	0	32	-1.0	-46.13	303.42	4.96	-41.17
COC1=CC(F)=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1OC	REAL300017747258	0	38	-1.0	-55.54	336.58	2.17	-53.37
COC1=CC(C)=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1OC	REAL300017747259	0	41	-1.0	-56.55	341.02	2.68	-53.87
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300017747260	0	32	-1.0	-55.47	318.27	5.24	-50.23
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)C1	REAL300017747261	0	38	-1.0	-51.69	330.26	3.98	-47.71
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C1	REAL300017747262	0	33	-1.0	-50.16	309.85	3.66	-46.50
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C)C(C(N)=O)=C2)C1	REAL300017747263	0	35	-1.0	-45.08	312.53	-1.08	-46.16
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C=C2C)C1	REAL300017747264	0	33	-1.0	-41.04	296.65	3.71	-37.33
CCOC(=O)C1CCCN1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747265	0	41	-1.0	-49.02	346.34	3.40	-45.62
CNC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CN1C	REAL300017747266	0	38	-1.0	-47.48	334.29	0.30	-47.18
COC1=CC(C)=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C(C)=C1	REAL300017747267	0	40	-1.0	-53.84	329.43	3.73	-50.11
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(C=C2Cl)CCC(=O)N3)C1	REAL300017747268	0	38	-1.0	-58.60	341.26	2.47	-56.13
COC(=O)C1=CC=C(CS(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747269	0	39	-1.0	-62.23	350.84	4.31	-57.92
COC(=O)C1CCN(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)CC1	REAL300017747270	0	41	-1.0	-54.33	344.14	2.65	-51.68
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C1	REAL300017747271	0	41	-1.0	-46.18	345.83	2.77	-43.41
COC(=O)C1=CC=CC(CS(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747272	0	39	-1.0	-46.15	347.66	4.14	-42.01
CCOC(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)O1	REAL300017747273	0	36	-1.0	-43.63	332.35	2.29	-41.34
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747274	0	43	-1.0	-57.62	378.96	3.97	-53.65
COC1=CC(C)=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C	REAL300017747275	0	40	-1.0	-55.68	331.89	3.51	-52.17
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3COC(=O)C3=C2)C1	REAL300017747276	0	34	-1.0	-51.07	308.70	3.00	-48.07
CCOC(=O)CCCS(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747277	0	38	-1.0	-49.41	333.12	2.86	-46.55
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300017747278	0	33	-1.0	-42.05	304.83	4.58	-37.47
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300017747279	0	32	-1.0	-45.88	307.98	5.07	-40.81
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])C1	REAL300017747280	0	35	-1.0	-63.74	300.45	4.77	-58.97
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)C1	REAL300017747281	0	32	-1.0	-49.60	311.74	4.02	-45.58
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300017747282	0	27	-1.0	-39.65	278.84	2.53	-37.12
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=C2COC3=O)C1	REAL300017747283	0	34	-1.0	-43.14	300.79	2.86	-40.28
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C=CC3=NC=CC=C32)C1	REAL300017747284	0	38	-1.0	-55.39	322.14	4.28	-51.11
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300017747285	0	32	-1.0	-61.20	307.74	2.28	-58.92
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C1	REAL300017747286	0	38	-1.0	-45.25	332.10	1.91	-43.34
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300017747287	0	29	-1.0	-39.94	292.02	1.78	-38.16
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C1	REAL300017747288	0	32	-1.0	-51.36	306.07	3.63	-47.73
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)C1	REAL300017747289	0	32	-1.0	-38.70	314.75	3.91	-34.79
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747290	0	39	-1.0	-49.71	345.85	1.47	-48.24
CCN1C=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300017747291	0	35	-1.0	-59.54	317.66	3.41	-56.13
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300017747292	0	32	-1.0	-48.57	295.73	4.05	-44.52
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C1	REAL300017747293	0	32	-1.0	-38.26	304.95	3.52	-34.74
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300017747294	0	37	-1.0	-56.25	343.07	3.58	-52.67
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300017747295	0	32	-1.0	-43.18	300.06	4.24	-38.94
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300017747296	0	44	-1.0	-44.66	382.19	5.83	-38.83
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2F)C1	REAL300017747297	0	38	-1.0	-46.16	349.51	-0.65	-46.81
CCC(=O)C1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747298	0	38	-1.0	-51.42	333.42	3.90	-47.52
CCOC(=O)N1CCN(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)CC1	REAL300017747299	0	43	-1.0	-44.42	359.15	1.40	-43.02
COC1=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C2=CC=C(Cl)N=C2C=C1	REAL300017747300	0	39	-1.0	-57.65	351.31	4.15	-53.50
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300017747301	0	40	-1.0	-45.87	356.91	4.12	-41.75
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300017747302	0	33	-1.0	-56.44	297.03	1.89	-54.55
COC1(C(=O)[O-])CN(S(=O)(=O)N(CCC(C)C)CCC(C)C)C1	REAL300017747303	0	52	-1.0	-43.13	409.65	5.64	-37.49
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C1	REAL300017747304	0	38	-1.0	-50.03	348.01	-0.84	-50.87
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300017747305	0	33	-1.0	-41.12	299.26	3.56	-37.56
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)C1	REAL300017747306	0	36	-1.0	-43.33	335.41	0.32	-43.01
CCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300017747307	0	43	-1.0	-45.99	354.12	5.05	-40.94
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747308	0	40	-1.0	-59.86	343.82	4.28	-55.58
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300017747309	0	35	-1.0	-49.56	318.68	2.95	-46.61
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300017747310	0	37	-1.0	-46.79	330.91	3.76	-43.03
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)C1	REAL300017747311	0	32	-1.0	-40.57	314.72	3.91	-36.66
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(F)=C2C#N)C1	REAL300017747312	0	31	-1.0	-60.32	292.65	3.07	-57.25
CCOCCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747313	0	44	-1.0	-56.83	378.98	3.36	-53.47
CCCCCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747314	0	46	-1.0	-43.13	386.78	5.13	-38.00
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300017747315	0	32	-1.0	-46.10	299.92	4.70	-41.40
COC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CC=C1F	REAL300017747316	0	36	-1.0	-42.56	329.66	3.45	-39.11
COC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300017747317	0	36	-1.0	-38.80	342.69	4.12	-34.68
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747318	0	40	-1.0	-45.40	349.27	3.19	-42.21
COC(=O)CC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)S1	REAL300017747319	0	36	-1.0	-60.24	341.52	3.51	-56.73
COC(=O)C1=CSC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747320	0	33	-1.0	-43.25	318.38	2.45	-40.80
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747321	0	42	-1.0	-43.16	344.56	4.29	-38.87
COC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CC=C1Cl	REAL300017747322	0	36	-1.0	-41.61	337.64	3.82	-37.79
COC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CC=C1C	REAL300017747323	0	39	-1.0	-42.99	341.14	3.96	-39.03
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747324	0	36	-1.0	-59.63	332.61	3.61	-56.02
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300017747325	0	40	-1.0	-41.47	312.61	4.89	-36.58
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300017747326	0	36	-1.0	-60.16	320.65	4.72	-55.44
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300017747327	0	29	-1.0	-50.77	288.48	1.71	-49.06
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300017747328	0	34	-1.0	-41.42	327.33	4.00	-37.42
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300017747329	0	35	-1.0	-44.38	306.31	1.93	-42.45
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)C1	REAL300017747330	0	35	-1.0	-53.49	322.83	-1.64	-55.13
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3N=C(C(C)(C)C)SC3=C2)C1	REAL300017747331	0	44	-1.0	-44.95	383.34	4.73	-40.22
COC(=O)CC1(CS(=O)(=O)N2CC(OC)(C(=O)[O-])C2)CC1	REAL300017747332	0	39	-1.0	-58.27	337.01	3.45	-54.82
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747333	0	35	-1.0	-45.46	317.68	2.24	-43.22
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=C(F)C=C2F)C1	REAL300017747334	0	33	-1.0	-52.54	304.59	3.66	-48.88
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747335	0	37	-1.0	-42.18	334.09	3.72	-38.46
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)C1	REAL300017747336	0	42	-1.0	-44.81	361.05	4.30	-40.51
CCCCCCN1C=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C(=O)NC1=O	REAL300017747337	0	48	-1.0	-51.56	407.06	3.30	-48.26
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(N3C=C(C)C=N3)C(F)=C2)C1	REAL300017747338	0	40	-1.0	-47.65	354.94	4.81	-42.84
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)S1	REAL300017747339	0	37	-1.0	-56.30	348.31	2.76	-53.54
CCS(=O)(=O)NCCS(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747340	0	37	-1.0	-51.80	334.31	-2.60	-54.40
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=C(C)C=C2F)C1	REAL300017747341	0	33	-1.0	-40.95	299.02	3.43	-37.52
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2Cl)C1	REAL300017747342	0	35	-1.0	-38.35	319.69	4.25	-34.10
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300017747343	0	27	-1.0	-42.13	275.33	1.28	-40.85
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)C1	REAL300017747344	0	36	-1.0	-44.62	318.59	4.58	-40.04
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300017747345	0	27	-1.0	-50.08	297.90	3.06	-47.02
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C1	REAL300017747346	0	33	-1.0	-42.67	316.27	4.05	-38.62
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300017747347	0	33	-1.0	-42.50	326.58	4.49	-38.01
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)SC3=CC=C(Cl)C=C32)C1	REAL300017747348	0	36	-1.0	-55.01	339.35	5.81	-49.20
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C1	REAL300017747349	0	33	-1.0	-54.96	324.29	4.71	-50.25
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C1	REAL300017747350	0	36	-1.0	-45.76	322.01	5.84	-39.92
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300017747351	0	36	-1.0	-45.44	320.55	5.27	-40.17
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C)C(C(=O)NCC(F)(F)F)=C2)C1	REAL300017747352	0	41	-1.0	-46.61	375.10	1.60	-45.01
CCOC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CN1C	REAL300017747353	0	40	-1.0	-49.05	353.37	3.67	-45.38
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CC(OC)(C(=O)[O-])C3)=CC=C2O1	REAL300017747354	0	44	-1.0	-46.77	383.83	4.87	-41.90
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)C(F)=C2)C1	REAL300017747355	0	36	-1.0	-42.91	335.44	0.32	-42.59
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC=C2CS(C)(=O)=O)C1	REAL300017747356	0	39	-1.0	-62.35	361.93	2.67	-59.68
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC3=NC=NN3C)C=C2)C1	REAL300017747357	0	43	-1.0	-49.58	377.48	4.07	-45.51
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C3=C(F)C=CC=C3S2)C1	REAL300017747358	0	36	-1.0	-55.34	331.66	4.84	-50.50
COC1(C(=O)[O-])CN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300017747359	0	41	-1.0	-50.70	370.45	-0.28	-50.98
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C1	REAL300017747360	0	31	-1.0	-55.43	301.44	3.57	-51.86
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C)C(N(C)C)=C2)C1	REAL300017747361	0	41	-1.0	-42.59	344.94	3.43	-39.16
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C(Cl)N2C)C1	REAL300017747362	0	30	-1.0	-50.26	287.34	1.85	-48.41
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2C)C1	REAL300017747363	0	35	-1.0	-37.25	316.67	4.25	-33.00
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(SC)C(Cl)=C2)C1	REAL300017747364	0	34	-1.0	-43.69	325.55	4.10	-39.59
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C)C(Cl)=N2)C1	REAL300017747365	0	30	-1.0	-48.94	291.29	1.38	-47.56
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C1	REAL300017747366	0	33	-1.0	-63.22	311.37	3.44	-59.78
COC1(C(=O)[O-])CN(S(=O)(=O)CCC(=O)OCC2=CC=CC=C2)C1	REAL300017747367	0	42	-1.0	-47.30	371.53	5.15	-42.15
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(N(C)C)=CC=C2Br)C1	REAL300017747368	0	38	-1.0	-56.20	335.99	3.77	-52.43
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN3N=C(C)C(Cl)=C3N=C2)C1	REAL300017747369	0	35	-1.0	-44.04	330.25	2.67	-41.37
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747370	0	36	-1.0	-58.20	327.53	4.29	-53.91
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747371	0	42	-1.0	-44.89	343.80	2.94	-41.95
CCC1=NOC2=NC=C(S(=O)(=O)N3CC(OC)(C(=O)[O-])C3)C=C12	REAL300017747372	0	37	-1.0	-44.55	332.18	0.26	-44.29
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=C(F)C([N+](=O)[O-])=C2)C1	REAL300017747373	0	35	-1.0	-43.39	323.39	3.96	-39.43
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747374	0	36	-1.0	-58.18	317.19	3.84	-54.34
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C1	REAL300017747375	0	33	-1.0	-56.22	299.91	2.33	-53.89
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(Cl)C=C2Br)C1	REAL300017747376	0	33	-1.0	-57.37	329.56	4.71	-52.66
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC(N)=O)C1	REAL300017747377	0	38	-1.0	-50.11	347.81	0.97	-49.14
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300017747378	0	29	-1.0	-37.14	288.10	1.69	-35.45
COC(=O)C1CCCCC1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747379	0	42	-1.0	-48.70	339.84	4.41	-44.29
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CC(OC)(C(=O)[O-])C3)C=C2)CC1	REAL300017747380	0	43	-1.0	-46.30	369.28	5.17	-41.13
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300017747381	0	37	-1.0	-59.24	316.75	2.89	-56.35
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(Cl)C=C2C#N)C1	REAL300017747382	0	34	-1.0	-61.72	331.20	4.39	-57.33
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300017747383	0	36	-1.0	-42.50	338.94	0.72	-41.78
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747384	0	34	-1.0	-39.30	321.59	3.20	-36.10
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300017747385	0	39	-1.0	-63.80	334.38	6.27	-57.53
CCC1=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C(C(=O)OC)O1	REAL300017747386	0	39	-1.0	-41.76	340.63	2.68	-39.08
COC1(C(=O)[O-])CN(S(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)C1	REAL300017747387	0	47	-1.0	-60.78	386.15	4.62	-56.16
COC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C(C)=C1F	REAL300017747388	0	37	-1.0	-43.42	307.45	2.45	-40.97
COC1(C(=O)[O-])CN(S(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C1	REAL300017747389	0	50	-1.0	-55.75	392.13	4.48	-51.27
COC1(C(=O)[O-])CN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1	REAL300017747390	0	44	-1.0	-39.90	359.46	2.89	-37.01
COC1(C(=O)[O-])CN(S(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)C1	REAL300017747391	0	41	-1.0	-47.03	370.39	3.43	-43.60
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747392	0	38	-1.0	-55.81	339.00	4.45	-51.36
COC1(C(=O)[O-])CN(S(=O)(=O)CC2(C#N)CCCCC2)C1	REAL300017747393	0	40	-1.0	-64.93	326.12	3.78	-61.15
COC1(C(=O)[O-])CN(S(=O)(=O)CC2(C)CCCCC2)C1	REAL300017747394	0	42	-1.0	-56.33	320.89	4.37	-51.96
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300017747395	0	39	-1.0	-45.40	326.81	4.11	-41.29
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300017747396	0	33	-1.0	-45.59	310.01	1.40	-44.19
COC1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CC=C1F	REAL300017747397	0	34	-1.0	-41.45	306.07	2.15	-39.30
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747398	0	41	-1.0	-45.72	353.08	2.99	-42.73
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747399	0	44	-1.0	-45.12	383.16	3.97	-41.15
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2C(C)C)C1	REAL300017747400	0	39	-1.0	-41.80	313.76	4.31	-37.49
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300017747401	0	44	-1.0	-58.53	387.33	6.26	-52.27
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CC(OC)(C(=O)[O-])C3)=CC=C2O1	REAL300017747402	0	45	-1.0	-43.28	394.04	5.44	-37.84
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747403	0	42	-1.0	-60.23	359.02	5.05	-55.18
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300017747404	0	30	-1.0	-50.96	303.45	3.82	-47.14
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=C(Cl)S2)C1	REAL300017747405	0	30	-1.0	-40.93	299.91	2.78	-38.15
COC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C(F)=C1	REAL300017747406	0	34	-1.0	-55.51	307.33	2.27	-53.24
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C=CC(C)=C2[N+](=O)[O-])C1	REAL300017747407	0	38	-1.0	-46.81	326.48	6.09	-40.72
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300017747408	0	36	-1.0	-57.06	333.14	4.68	-52.38
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C2C)C1	REAL300017747409	0	40	-1.0	-38.47	351.10	5.22	-33.25
COC(=O)NC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747410	0	38	-1.0	-58.53	338.93	1.09	-57.44
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(N(C)C)=C2)C1	REAL300017747411	0	38	-1.0	-45.50	321.43	3.01	-42.49
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300017747412	0	36	-1.0	-44.28	311.55	3.14	-41.14
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300017747414	0	33	-1.0	-44.46	302.52	3.50	-40.96
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300017747415	0	33	-1.0	-37.79	326.12	4.31	-33.48
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C1	REAL300017747416	0	33	-1.0	-52.39	316.58	3.96	-48.43
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=CC(Br)=C2)C1	REAL300017747417	0	33	-1.0	-40.73	313.03	4.06	-36.67
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747418	0	41	-1.0	-66.32	344.99	1.20	-65.12
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2SC)C1	REAL300017747419	0	34	-1.0	-43.50	298.01	3.52	-39.98
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)C)C1	REAL300017747420	0	41	-1.0	-56.58	342.56	3.48	-53.10
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300017747421	0	42	-1.0	-66.17	357.76	1.93	-64.24
COC1=C(F)C=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017747422	0	36	-1.0	-40.86	333.85	3.61	-37.25
COC(=O)NC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017747423	0	40	-1.0	-43.74	360.86	2.09	-41.65
COC(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C(OC)=C1	REAL300017747424	0	40	-1.0	-56.79	355.23	3.36	-53.43
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=C(F)C=C2C)C1	REAL300017747425	0	33	-1.0	-36.94	303.01	3.88	-33.06
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C=C2C)C1	REAL300017747426	0	38	-1.0	-58.01	326.05	4.62	-53.39
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300017747427	0	38	-1.0	-52.22	334.74	3.82	-48.40
COC1(C(=O)[O-])CN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300017747428	0	36	-1.0	-64.80	313.55	-0.74	-65.54
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)C1	REAL300017747429	0	40	-1.0	-47.35	350.58	3.55	-43.80
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300017747430	0	35	-1.0	-47.85	319.20	2.72	-45.13
COC1=CC(F)=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C(F)=C1	REAL300017747431	0	34	-1.0	-57.14	310.13	2.47	-54.67
CCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C(C)=C1	REAL300017747432	0	40	-1.0	-43.38	331.39	3.42	-39.96
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747433	0	38	-1.0	-49.33	346.96	-1.05	-50.38
COC1(C(=O)[O-])CN(S(=O)(=O)CCS(C)(=O)=O)C1	REAL300017747434	0	32	-1.0	-54.03	297.94	-2.08	-56.11
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747435	0	39	-1.0	-59.24	335.75	4.25	-54.99
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300017747436	0	34	-1.0	-44.72	304.38	2.79	-41.93
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(SC)C=C2)C1	REAL300017747437	0	34	-1.0	-43.46	311.14	3.56	-39.90
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747438	0	42	-1.0	-53.71	370.28	5.28	-48.43
CCC(=O)NC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747439	0	40	-1.0	-61.30	348.50	2.58	-58.72
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300017747440	0	36	-1.0	-40.93	331.91	4.50	-36.43
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747441	0	41	-1.0	-55.59	343.48	4.51	-51.08
CCN1C=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)N=C1C	REAL300017747442	0	36	-1.0	-50.50	316.68	2.33	-48.17
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C1	REAL300017747443	0	29	-1.0	-42.15	287.56	1.61	-40.54
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300017747444	0	36	-1.0	-58.87	315.29	2.55	-56.32
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300017747445	0	35	-1.0	-45.12	298.94	2.88	-42.24
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300017747446	0	42	-1.0	-46.19	364.65	4.52	-41.67
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(F)=C2F)C1	REAL300017747447	0	30	-1.0	-56.68	284.17	3.02	-53.66
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CC=C2F)C1	REAL300017747448	0	30	-1.0	-54.63	299.15	3.58	-51.05
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C)C(C(F)(F)F)=C2)C1	REAL300017747449	0	36	-1.0	-41.17	324.75	4.30	-36.87
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300017747450	0	36	-1.0	-45.25	344.18	3.26	-41.99
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3C(=C2)C(C)=NN3C)C1	REAL300017747451	0	38	-1.0	-44.80	337.26	2.28	-42.52
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(Br)C=C2F)C1	REAL300017747452	0	33	-1.0	-59.49	322.63	4.30	-55.19
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3ON=C(C)C3=C2)C1	REAL300017747453	0	34	-1.0	-45.32	310.69	-0.47	-45.79
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(CCCCl)C=C2)C1	REAL300017747454	0	39	-1.0	-45.22	352.48	5.39	-39.83
COCC1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747455	0	37	-1.0	-45.31	325.41	2.35	-42.96
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)C1	REAL300017747456	0	32	-1.0	-37.49	305.92	3.85	-33.64
COC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300017747457	0	39	-1.0	-60.31	362.78	3.65	-56.66
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747458	0	36	-1.0	-60.48	317.20	3.85	-56.63
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300017747459	0	33	-1.0	-59.71	309.50	4.09	-55.62
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300017747460	0	42	-1.0	-57.13	367.52	1.04	-56.09
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300017747461	0	37	-1.0	-59.65	342.03	3.44	-56.21
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300017747462	0	30	-1.0	-53.23	302.79	3.90	-49.33
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3C(=C2)C(=O)NC(=O)N3C)C1	REAL300017747463	0	38	-1.0	-53.40	341.50	0.38	-53.02
CCOC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CC=C1F	REAL300017747494	0	39	-1.0	-42.60	351.53	4.38	-38.22
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300017747495	0	38	-1.0	-46.89	324.59	2.73	-44.16
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC=C2Cl)C1	REAL300017747496	0	30	-1.0	-53.61	287.90	3.35	-50.26
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747497	0	49	-1.0	-43.59	368.13	5.46	-38.13
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300017747498	0	33	-1.0	-58.81	323.07	4.53	-54.28
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C#N)C=C2Cl)C1	REAL300017747499	0	31	-1.0	-53.14	302.21	3.67	-49.47
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=C(NC(C)=O)C=C2F)C1	REAL300017747500	0	37	-1.0	-56.87	346.60	2.41	-54.46
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3OC(C)CC3=C2)C1	REAL300017747501	0	38	-1.0	-44.38	327.40	3.25	-41.13
COC1=CC(Cl)=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1Cl	REAL300017747502	0	34	-1.0	-39.41	320.95	2.94	-36.47
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747503	0	42	-1.0	-54.51	326.47	5.86	-48.65
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=CC(S(C)(=O)=O)=C2C)C1	REAL300017747504	0	42	-1.0	-46.98	352.62	1.35	-45.63
COC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CS1	REAL300017747505	0	33	-1.0	-46.33	317.61	2.32	-44.01
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747506	0	39	-1.0	-60.31	349.49	4.78	-55.53
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300017747507	0	41	-1.0	-54.60	378.28	6.29	-48.31
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300017747508	0	36	-1.0	-46.65	337.78	3.19	-43.46
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300017747509	0	36	-1.0	-45.01	354.50	3.71	-41.30
COC(=O)C1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1C	REAL300017747510	0	39	-1.0	-56.43	330.93	3.92	-52.51
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300017747511	0	32	-1.0	-38.25	319.84	4.07	-34.18
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747512	0	34	-1.0	-50.12	328.10	3.43	-46.69
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)C1	REAL300017747513	0	42	-1.0	-45.54	350.07	3.16	-42.38
CCOC(=O)N1CCC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)CC1	REAL300017747514	0	44	-1.0	-47.11	362.16	2.67	-44.44
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C3=COC(C)=N3)C=C2)C1	REAL300017747515	0	39	-1.0	-47.77	347.33	1.61	-46.16
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)C1	REAL300017747516	0	29	-1.0	-48.79	299.24	1.99	-46.80
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300017747517	0	33	-1.0	-47.99	300.09	3.16	-44.83
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300017747518	0	33	-1.0	-42.32	296.38	1.44	-40.88
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3CCCN23)C1	REAL300017747519	0	34	-1.0	-56.86	300.14	2.35	-54.51
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300017747520	0	38	-1.0	-44.45	324.03	3.41	-41.04
COC1=CC=C(Cl)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747521	0	34	-1.0	-56.43	310.97	2.58	-53.85
COC(=O)C1=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300017747522	0	39	-1.0	-49.28	356.70	5.45	-43.83
COC(=O)CC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747523	0	39	-1.0	-60.94	349.11	4.34	-56.60
COC1(C(=O)[O-])CN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300017747524	0	37	-1.0	-56.63	317.46	4.65	-51.98
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C3=CC=C(C)C=C3)N=C2)C1	REAL300017747525	0	40	-1.0	-46.07	352.91	4.36	-41.71
COC1(C(=O)[O-])CN(S(=O)(=O)[C@@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017747526	0	48	-1.0	-49.13	411.20	4.72	-44.41
COC1(C(=O)[O-])CN(S(=O)(=O)[C@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017747527	0	48	-1.0	-51.00	411.23	4.72	-46.28
COC1(C(=O)[O-])CN(S(=O)(=O)C2CN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017747528	0	45	-1.0	-47.32	394.44	4.03	-43.29
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC([N+](=O)[O-])=C(C)S2)C1	REAL300017747529	0	32	-1.0	-50.85	310.24	3.22	-47.63
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CCN(C(C)=O)C3=C2)C1	REAL300017747530	0	41	-1.0	-58.17	350.85	3.75	-54.42
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(Cl)=C2Br)C1	REAL300017747531	0	30	-1.0	-54.20	298.28	3.79	-50.41
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C1	REAL300017747532	0	30	-1.0	-38.61	306.46	3.86	-34.75
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747533	0	40	-1.0	-59.40	333.63	4.57	-54.83
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C#N)C(C)=C2)C1	REAL300017747534	0	34	-1.0	-39.40	310.29	3.67	-35.73
COC(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1F	REAL300017747535	0	36	-1.0	-43.39	329.64	3.46	-39.93
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747536	0	34	-1.0	-41.41	311.34	3.05	-38.36
COC1=CC=C(C)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747537	0	37	-1.0	-57.75	311.95	2.77	-54.98
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C#N)C(Br)=C2)C1	REAL300017747538	0	31	-1.0	-38.30	310.83	3.67	-34.63
COC1=CC(C)=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1Cl	REAL300017747539	0	37	-1.0	-55.36	327.82	3.33	-52.03
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)S1	REAL300017747540	0	36	-1.0	-40.20	346.02	3.74	-36.46
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(NC(C)=O)C(F)=C2)C1	REAL300017747541	0	37	-1.0	-44.62	331.52	1.79	-42.83
COC1=CC(Cl)=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1OC	REAL300017747542	0	38	-1.0	-54.31	340.07	2.48	-51.83
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300017747543	0	34	-1.0	-44.45	315.81	2.28	-42.17
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C1	REAL300017747544	0	33	-1.0	-41.26	314.66	3.69	-37.57
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C	REAL300017747545	0	41	-1.0	-42.96	361.63	-0.13	-43.09
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CC(OC)(C(=O)[O-])C3)=CC=C2S1	REAL300017747546	0	42	-1.0	-45.03	384.97	5.69	-39.34
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(CC#N)=C2)C1	REAL300017747547	0	34	-1.0	-49.40	312.58	3.80	-45.60
COC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C(Br)=C1	REAL300017747548	0	34	-1.0	-53.89	312.98	2.65	-51.24
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C1	REAL300017747549	0	35	-1.0	-52.37	327.12	-1.75	-54.12
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(C=C2C)OCO3)C1	REAL300017747550	0	36	-1.0	-41.91	298.64	1.77	-40.14
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747551	0	36	-1.0	-54.71	322.18	3.91	-50.80
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300017747552	0	30	-1.0	-51.67	298.22	3.80	-47.87
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C=C(F)C=C2C)C1	REAL300017747553	0	36	-1.0	-50.98	306.38	4.52	-46.46
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300017747554	0	30	-1.0	-52.91	300.25	3.87	-49.04
COC1=CC2=C(C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1)OCC(=O)N2	REAL300017747555	0	40	-1.0	-44.13	345.28	-0.23	-44.36
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C#N)S2)C1	REAL300017747556	0	28	-1.0	-52.71	284.66	2.45	-50.26
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300017747557	0	31	-1.0	-57.24	295.71	1.16	-56.08
COC1=CN=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747558	0	33	-1.0	-53.85	296.73	0.37	-53.48
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(Br)=C2F)C1	REAL300017747559	0	30	-1.0	-55.69	298.48	3.57	-52.12
COC(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1OC	REAL300017747560	0	40	-1.0	-44.91	352.42	3.49	-41.42
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C1	REAL300017747561	0	34	-1.0	-45.52	321.57	0.07	-45.45
CCOC1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747562	0	37	-1.0	-45.68	321.69	2.86	-42.82
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=C2OC(C)(C)C3)C1	REAL300017747563	0	41	-1.0	-47.84	345.39	3.94	-43.90
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)C1	REAL300017747564	0	34	-1.0	-38.95	326.99	3.96	-34.99
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(Cl)=C2C#N)C1	REAL300017747602	0	31	-1.0	-59.24	302.14	3.44	-55.80
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C#N)=CC=C2C)C1	REAL300017747603	0	34	-1.0	-57.27	303.21	3.87	-53.40
COC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300017747604	0	44	-1.0	-50.54	373.05	2.54	-48.00
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=C3OC(C)CC3=C2)C1	REAL300017747605	0	38	-1.0	-53.68	345.94	4.02	-49.66
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)C1	REAL300017747606	0	35	-1.0	-39.66	314.53	3.96	-35.70
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=CC=C2Br)C1	REAL300017747607	0	33	-1.0	-55.48	304.92	4.02	-51.46
COC(=O)C1=COC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747608	0	33	-1.0	-45.80	310.21	1.52	-44.28
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=N1	REAL300017747609	0	41	-1.0	-49.23	358.68	3.32	-45.91
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300017747610	0	32	-1.0	-44.84	302.33	2.12	-42.72
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(N(C)C(C)=O)C=C2)C1	REAL300017747611	0	40	-1.0	-60.50	350.41	3.56	-56.94
COC1=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)SC=C1	REAL300017747612	0	31	-1.0	-44.82	290.64	1.81	-43.01
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C)C(NC(C)=O)=C2)C1	REAL300017747613	0	40	-1.0	-55.91	344.22	2.52	-53.39
COC1(C(=O)[O-])CN(S(=O)(=O)CCCC(F)(F)F)C1	REAL300017747614	0	32	-1.0	-45.98	295.43	2.30	-43.68
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300017747615	0	35	-1.0	-49.26	318.20	2.62	-46.64
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C1	REAL300017747616	0	36	-1.0	-59.27	315.11	0.54	-58.73
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CCCN(C)C3=C2)C1	REAL300017747617	0	42	-1.0	-45.48	344.50	3.19	-42.29
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300017747618	0	32	-1.0	-42.19	305.83	1.96	-40.23
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=CC=C2Cl)C1	REAL300017747619	0	33	-1.0	-55.84	302.92	3.95	-51.89
COC1=CC=CC(OC)=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747620	0	38	-1.0	-63.86	326.13	3.44	-60.42
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C(Cl)C(C)=C2)C1	REAL300017747621	0	32	-1.0	-51.26	302.81	2.12	-49.14
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C1	REAL300017747622	0	36	-1.0	-46.60	321.72	1.70	-44.90
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C1	REAL300017747623	0	29	-1.0	-43.52	291.51	2.40	-41.12
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(C)(C)C)S2)C1	REAL300017747624	0	39	-1.0	-42.18	343.33	4.42	-37.76
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C)=C2C#N)C1	REAL300017747625	0	34	-1.0	-61.23	305.91	3.53	-57.70
COC1=CC(OC)=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747626	0	38	-1.0	-45.95	329.31	1.38	-44.57
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C#N)=CC=C2Cl)C1	REAL300017747627	0	31	-1.0	-55.71	302.25	3.68	-52.03
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3C(=C2)N=CN3C)C1	REAL300017747628	0	36	-1.0	-50.90	318.59	4.12	-46.78
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)C1	REAL300017747629	0	38	-1.0	-66.42	321.97	4.45	-61.97
CCC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1CC	REAL300017747630	0	42	-1.0	-43.10	347.37	5.34	-37.76
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C=C([N+](=O)[O-])C=C2C)C1	REAL300017747631	0	38	-1.0	-49.55	328.23	5.11	-44.44
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C)=C2Cl)C1	REAL300017747632	0	33	-1.0	-56.27	300.25	3.86	-52.41
COC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C(C)O1	REAL300017747633	0	36	-1.0	-41.83	322.51	2.02	-39.81
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=C(C)S2)C1	REAL300017747634	0	33	-1.0	-52.56	303.15	3.21	-49.35
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C=CC=C2F)C1	REAL300017747635	0	33	-1.0	-43.55	286.27	3.60	-39.95
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CN=C2N)C1	REAL300017747636	0	31	-1.0	-39.84	286.21	0.40	-39.44
CCC1=NC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)S1	REAL300017747637	0	32	-1.0	-53.20	302.39	1.49	-51.71
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300017747638	0	36	-1.0	-41.34	308.18	4.33	-37.01
COC(=O)C1=NSC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747639	0	32	-1.0	-58.80	300.06	1.28	-57.52
COC(=O)C1=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)SC=N1	REAL300017747640	0	32	-1.0	-48.23	306.16	1.07	-47.16
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=C(F)C(C)=C2)C1	REAL300017747641	0	36	-1.0	-40.59	317.37	4.12	-36.47
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C1	REAL300017747642	0	38	-1.0	-50.88	329.93	1.23	-49.65
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1	REAL300017747643	0	41	-1.0	-42.59	334.51	0.85	-41.74
COC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CN1C	REAL300017747644	0	37	-1.0	-49.30	331.51	2.75	-46.55
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=CC(Cl)=C2)C1	REAL300017747645	0	29	-1.0	-50.94	283.91	1.60	-49.34
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C)=C2F)C1	REAL300017747646	0	33	-1.0	-57.85	298.18	3.61	-54.24
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)C1	REAL300017747647	0	41	-1.0	-55.90	354.77	4.74	-51.16
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC(Cl)=CC=C2F)C1	REAL300017747648	0	33	-1.0	-59.74	318.06	4.19	-55.55
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)C1	REAL300017747649	0	33	-1.0	-59.87	318.62	4.20	-55.67
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300017747650	0	30	-1.0	-43.05	286.41	3.56	-39.49
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=CC(F)=C2)C1	REAL300017747651	0	33	-1.0	-41.38	298.14	3.51	-37.87
COC1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CN=C1Cl	REAL300017747652	0	33	-1.0	-41.47	311.19	0.74	-40.73
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC(C#N)=CC=C2F)C1	REAL300017747653	0	34	-1.0	-47.83	321.05	3.70	-44.13
COC(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=N1	REAL300017747654	0	35	-1.0	-43.76	321.07	1.47	-42.29
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300017747655	0	29	-1.0	-51.96	289.90	2.30	-49.66
COCC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747656	0	37	-1.0	-44.25	326.00	2.27	-41.98
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747657	0	35	-1.0	-56.53	321.28	3.10	-53.43
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747658	0	36	-1.0	-41.94	341.84	3.94	-38.00
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C1	REAL300017747659	0	33	-1.0	-38.69	307.13	0.58	-38.11
CCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=N1	REAL300017747660	0	36	-1.0	-42.98	319.37	0.25	-42.73
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C1	REAL300017747661	0	39	-1.0	-55.58	355.96	0.75	-54.83
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(F)C(NC(C)=O)=C2)C1	REAL300017747662	0	37	-1.0	-46.81	332.06	1.78	-45.03
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CCCN(C(C)=O)C3=C2)C1	REAL300017747663	0	44	-1.0	-56.85	361.95	4.22	-52.63
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300017747664	0	33	-1.0	-58.77	298.77	1.53	-57.24
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)C1	REAL300017747665	0	36	-1.0	-40.74	318.80	4.18	-36.56
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747666	0	40	-1.0	-53.01	355.31	0.05	-52.96
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CCN(C(C)=O)CCC3=C2)C1	REAL300017747667	0	47	-1.0	-49.01	383.53	4.75	-44.26
COC(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017747668	0	39	-1.0	-42.66	355.26	4.24	-38.42
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(C)C)=CC=C2Cl)C1	REAL300017747669	0	39	-1.0	-41.75	335.83	4.99	-36.76
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300017747670	0	33	-1.0	-42.80	301.36	3.90	-38.90
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C1	REAL300017747671	0	33	-1.0	-57.42	317.06	4.92	-52.50
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747672	0	44	-1.0	-52.49	381.88	0.83	-51.66
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747673	0	43	-1.0	-45.18	371.13	4.12	-41.06
CCOC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CC=C1C	REAL300017747674	0	42	-1.0	-43.12	363.03	4.89	-38.23
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747675	0	42	-1.0	-48.75	369.16	4.98	-43.77
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1OC	REAL300017747676	0	41	-1.0	-57.31	367.80	2.60	-54.71
CCOC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C(F)C=C1C	REAL300017747677	0	42	-1.0	-41.93	364.93	4.84	-37.09
COC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300017747678	0	36	-1.0	-45.08	332.44	4.67	-40.41
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747679	0	39	-1.0	-58.98	354.48	4.54	-54.44
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300017747680	0	40	-1.0	-46.21	344.54	6.04	-40.17
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747681	0	44	-1.0	-47.17	390.08	0.33	-46.84
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300017747682	0	33	-1.0	-59.20	312.74	4.21	-54.99
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CN1C	REAL300017747683	0	42	-1.0	-47.42	372.36	3.86	-43.56
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300017747684	0	34	-1.0	-43.23	318.10	3.65	-39.58
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300017747685	0	33	-1.0	-44.42	305.11	3.47	-40.95
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)N=C2C)C1	REAL300017747686	0	32	-1.0	-40.44	284.91	1.67	-38.77
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Br)N(C)C(C)=N2)C1	REAL300017747687	0	33	-1.0	-48.46	306.51	2.69	-45.77
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C1	REAL300017747688	0	31	-1.0	-50.80	295.54	1.76	-49.04
COC(=O)C(C)(C)CS(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747689	0	38	-1.0	-44.73	319.37	2.58	-42.15
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747690	0	43	-1.0	-52.10	364.29	3.48	-48.62
COC(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C(F)=C1	REAL300017747691	0	36	-1.0	-54.23	332.60	3.63	-50.60
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747692	0	41	-1.0	-50.43	364.71	2.07	-48.36
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C)C(C(=O)OC(C)C)=C2)C1	REAL300017747693	0	45	-1.0	-43.47	383.27	5.60	-37.87
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747694	0	42	-1.0	-58.94	375.81	2.11	-56.83
COC(=O)C1(CS(=O)(=O)N2CC(OC)(C(=O)[O-])C2)CCCC1	REAL300017747695	0	42	-1.0	-45.91	338.51	3.99	-41.92
COCC1=CC(Cl)=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747696	0	37	-1.0	-40.81	342.13	3.01	-37.80
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)C1	REAL300017747697	0	36	-1.0	-39.51	324.75	4.29	-35.22
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300017747698	0	41	-1.0	-42.90	376.38	5.91	-36.99
COC(=O)CC1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747699	0	39	-1.0	-48.97	347.29	4.07	-44.90
COC1(C(=O)[O-])CN(S(=O)(=O)CC23CCC(CC2)C3)C1	REAL300017747700	0	40	-1.0	-56.89	315.58	4.37	-52.52
COC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300017747701	0	36	-1.0	-58.59	333.73	4.86	-53.73
COC(=O)C1(CS(=O)(=O)N2CC(OC)(C(=O)[O-])C2)CCC1	REAL300017747702	0	39	-1.0	-42.20	328.67	3.21	-38.99
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300017747703	0	30	-1.0	-38.16	302.89	2.97	-35.19
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747704	0	43	-1.0	-45.29	380.18	3.14	-42.15
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747705	0	46	-1.0	-45.14	402.04	4.07	-41.07
COC(=O)C1(CS(=O)(=O)N2CC(OC)(C(=O)[O-])C2)CCCCC1	REAL300017747706	0	45	-1.0	-44.52	350.76	4.31	-40.21
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747707	0	38	-1.0	-48.82	340.81	3.65	-45.17
COC1(C(=O)[O-])CN(S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C1	REAL300017747708	0	32	-1.0	-51.90	297.87	1.66	-50.24
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CNC3=CC=CC=C23)C1	REAL300017747709	0	34	-1.0	-47.00	300.59	2.58	-44.42
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(C=C2)N(C)C2=C3C=CC=C2)C1	REAL300017747710	0	43	-1.0	-49.02	370.16	6.61	-42.41
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC(Cl)=C2Br)C1	REAL300017747711	0	33	-1.0	-59.56	327.67	4.65	-54.91
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=CC=CC(F)=C2Br)C1	REAL300017747712	0	33	-1.0	-60.22	318.55	4.23	-55.99
COC1=CC=C(Br)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1F	REAL300017747713	0	34	-1.0	-45.78	319.29	3.01	-42.77
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=C(C)C=C(C#N)C=C2C)C1	REAL300017747714	0	40	-1.0	-39.52	344.83	5.01	-34.51
COC1(C(=O)[O-])CN(S(=O)(=O)CCC(C)(C)C2CC2)C1	REAL300017747715	0	42	-1.0	-58.63	336.55	4.35	-54.28
COC1(C(=O)[O-])CN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300017747716	0	34	-1.0	-44.76	316.49	4.25	-40.51
COC1(C(=O)[O-])CN(S(=O)(=O)CCCC(C)(F)F)C1	REAL300017747717	0	35	-1.0	-47.31	309.91	2.82	-44.49
COC1(C(=O)[O-])CN(S(=O)(=O)CCCC2=CC=CC=C2)C1	REAL300017747718	0	39	-1.0	-40.38	335.83	5.05	-35.33
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)OC(C(N)=O)=C2)C1	REAL300017747720	0	34	-1.0	-42.86	304.20	-1.93	-44.79
CCCC1=CC=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747724	0	39	-1.0	-53.93	320.81	5.03	-48.90
COC1(C(=O)[O-])CN(S(=O)(=O)CC2=NOC3=C2CCCC3)C1	REAL300017747725	0	39	-1.0	-62.71	334.41	3.64	-59.07
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC=C2C(F)F)C1	REAL300017747726	0	30	-1.0	-40.42	283.75	2.42	-38.00
COC1(C(=O)[O-])CN(S(=O)(=O)CCC2=CC=CC(F)=C2)C1	REAL300017747727	0	36	-1.0	-45.66	322.12	4.23	-41.43
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)N(CC3=CC=CC=C3)N=C2C)C1	REAL300017747728	0	46	-1.0	-45.78	384.47	5.34	-40.44
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300017747729	0	35	-1.0	-47.69	299.14	2.93	-44.76
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCN3C(C)=O)C1	REAL300017747730	0	50	-1.0	-52.74	395.87	5.19	-47.55
COC(=O)C1=CN(C)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747731	0	37	-1.0	-57.93	333.78	3.10	-54.83
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3NC(=O)CC(C)(C)C3=C2)C1	REAL300017747732	0	44	-1.0	-43.45	365.87	2.85	-40.60
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C1	REAL300017747733	0	45	-1.0	-57.27	381.04	5.43	-51.84
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CC(OC)(C(=O)[O-])C3)C=C21	REAL300017747734	0	44	-1.0	-58.02	371.16	4.57	-53.45
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300017747735	0	37	-1.0	-44.64	320.84	2.23	-42.41
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300017747736	0	37	-1.0	-43.75	315.56	2.76	-40.99
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300017747737	0	40	-1.0	-50.87	338.13	3.37	-47.50
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300017747745	0	36	-1.0	-45.14	337.18	3.68	-41.46
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C1	REAL300017747746	0	36	-1.0	-43.74	321.04	0.01	-43.73
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300017747747	0	27	-1.0	-43.96	271.44	1.39	-42.57
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300017747748	0	37	-1.0	-54.94	316.67	2.79	-52.15
COC1=C(F)C=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1F	REAL300017747749	0	34	-1.0	-40.75	316.21	2.32	-38.43
COC1=CC(F)=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1F	REAL300017747750	0	34	-1.0	-41.06	307.99	2.10	-38.96
CCCCCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C(C)C	REAL300017747751	0	55	-1.0	-42.88	444.79	7.39	-35.49
COC1=CC(C(C)C)=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C	REAL300017747752	0	46	-1.0	-41.90	360.48	4.25	-37.65
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C1	REAL300017747753	0	40	-1.0	-42.12	340.77	4.15	-37.97
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)SC=C2C)C1	REAL300017747754	0	33	-1.0	-52.43	294.90	3.59	-48.84
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C1	REAL300017747755	0	38	-1.0	-42.89	316.82	3.08	-39.81
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C1	REAL300017747756	0	38	-1.0	-42.83	339.01	2.44	-40.39
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C1	REAL300017747757	0	38	-1.0	-56.72	339.16	5.06	-51.66
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747758	0	34	-1.0	-44.55	308.09	3.38	-41.17
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)SC(C)=C2Br)C1	REAL300017747759	0	33	-1.0	-40.14	315.29	4.17	-35.97
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=C(C)C=C2Br)C1	REAL300017747760	0	33	-1.0	-41.44	318.94	4.89	-36.55
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3C(=C2)N(C(C)=O)CCC3C)C1	REAL300017747761	0	47	-1.0	-57.54	380.28	4.74	-52.80
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300017747762	0	36	-1.0	-58.64	325.84	3.55	-55.09
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3C(=C2)N(C(C)=O)CC3C)C1	REAL300017747763	0	44	-1.0	-57.54	369.91	4.41	-53.13
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC=C2Cl)C1	REAL300017747764	0	27	-1.0	-40.05	269.31	1.99	-38.06
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=NN2C)C1	REAL300017747765	0	30	-1.0	-48.74	293.30	1.08	-47.66
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C1	REAL300017747766	0	32	-1.0	-50.68	306.30	2.10	-48.58
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C3N=CC=CN3N=C2C)C1	REAL300017747767	0	35	-1.0	-54.69	311.02	2.37	-52.32
COC1(C(=O)[O-])CN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300017747768	0	39	-1.0	-51.85	316.68	2.82	-49.03
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C32)C1	REAL300017747769	0	34	-1.0	-44.42	321.88	3.19	-41.23
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300017747770	0	31	-1.0	-39.58	285.22	1.55	-38.03
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300017747771	0	33	-1.0	-45.00	309.78	3.99	-41.01
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CNC3=C(Br)C=CC=C23)C1	REAL300017747772	0	34	-1.0	-55.85	327.43	3.47	-52.38
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C1	REAL300017747773	0	33	-1.0	-51.10	313.74	2.39	-48.71
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C3CC3)=NN2C)C1	REAL300017747774	0	37	-1.0	-44.72	322.33	2.49	-42.23
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)C1	REAL300017747775	0	39	-1.0	-40.99	323.54	5.01	-35.98
COC1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1OC	REAL300017747776	0	38	-1.0	-56.82	329.12	2.59	-54.23
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C1	REAL300017747777	0	39	-1.0	-45.31	338.65	-0.00	-45.31
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Br)C(C#N)=C2)C1	REAL300017747778	0	31	-1.0	-38.69	310.87	3.67	-35.02
COC1(C(=O)[O-])CN(S(=O)(=O)C2=COC3=CC=CC=C23)C1	REAL300017747779	0	33	-1.0	-45.06	296.83	2.91	-42.15
COC1=CC=C(F)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1OC	REAL300017747780	0	38	-1.0	-59.03	331.61	3.24	-55.79
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747781	0	33	-1.0	-50.45	330.79	2.28	-48.17
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C1	REAL300017747782	0	43	-1.0	-45.71	346.48	3.21	-42.50
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C1	REAL300017747783	0	34	-1.0	-57.54	322.99	4.83	-52.71
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C)N=C2C2CC2)C1	REAL300017747785	0	37	-1.0	-56.49	327.13	2.82	-53.67
COC1(C(=O)[O-])CN(C(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300017747786	0	32	-1.0	-48.59	303.61	6.95	-41.64
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300017747787	0	34	-1.0	-56.00	311.40	2.48	-53.52
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CNC3=CC=C(Br)C=C32)C1	REAL300017747788	0	34	-1.0	-59.19	327.48	3.48	-55.71
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300017747789	0	33	-1.0	-47.57	300.39	1.78	-45.79
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C1	REAL300017747790	0	35	-1.0	-64.36	315.49	1.26	-63.10
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=C(C)C=C2C)C1	REAL300017747792	0	36	-1.0	-54.93	321.98	4.66	-50.27
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCCC(C)(C)C2)C1	REAL300017747793	0	41	-1.0	-51.94	323.12	3.35	-48.59
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300017747794	0	36	-1.0	-41.91	339.16	3.67	-38.24
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C1	REAL300017747795	0	33	-1.0	-43.57	298.50	2.93	-40.64
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C)N=C2C2CCC2)C1	REAL300017747796	0	40	-1.0	-45.88	338.45	2.78	-43.10
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)C1	REAL300017747797	0	48	-1.0	-57.34	377.39	6.38	-50.96
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300017747798	0	36	-1.0	-43.39	341.56	4.51	-38.88
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)SC=C2)C1	REAL300017747799	0	27	-1.0	-53.29	276.02	2.34	-50.95
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300017747800	0	40	-1.0	-45.82	344.31	3.29	-42.53
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300017747801	0	34	-1.0	-56.71	311.38	3.81	-52.90
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300017747802	0	41	-1.0	-42.16	363.75	5.51	-36.65
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(C)(C)C(N)=O)C=C2)C1	REAL300017747803	0	43	-1.0	-62.96	361.95	1.30	-61.66
COC1=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017747804	0	39	-1.0	-70.65	337.58	4.12	-66.53
CCCC1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747805	0	39	-1.0	-44.12	334.73	4.84	-39.28
COC(=O)C1=NN(C)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747806	0	36	-1.0	-51.96	327.64	1.31	-50.65
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC=C2C#N)C1	REAL300017747807	0	31	-1.0	-41.04	286.41	2.92	-38.12
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C3CCCC3=NN2C)C1	REAL300017747808	0	37	-1.0	-44.44	316.48	2.18	-42.26
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300017747809	0	34	-1.0	-37.40	326.77	4.12	-33.28
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CC(OC)(C(=O)[O-])C3)C=C2C=C1	REAL300017747810	0	42	-1.0	-46.24	371.01	5.55	-40.69
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=NN2C(C)(C)C)C1	REAL300017747811	0	39	-1.0	-42.50	308.81	2.32	-40.18
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C1	REAL300017747812	0	39	-1.0	-45.69	334.85	2.36	-43.33
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300017747813	0	37	-1.0	-43.55	307.73	1.44	-42.11
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)C1	REAL300017747814	0	35	-1.0	-50.79	322.97	2.72	-48.07
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300017747815	0	33	-1.0	-37.94	315.79	3.85	-34.09
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(CF)C=C2)C1	REAL300017747816	0	33	-1.0	-44.25	298.92	3.36	-40.89
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C1	REAL300017747817	0	30	-1.0	-44.23	279.79	2.62	-41.61
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300017747818	0	30	-1.0	-41.56	302.07	2.74	-38.82
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCC(F)(F)CC2)C1	REAL300017747819	0	35	-1.0	-41.76	300.65	1.94	-39.82
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C1	REAL300017747820	0	33	-1.0	-40.87	322.24	4.05	-36.82
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2C(F)F)C1	REAL300017747821	0	33	-1.0	-63.77	294.71	4.28	-59.49
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747822	0	41	-1.0	-51.20	354.92	4.66	-46.54
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300017747823	0	41	-1.0	-42.07	332.87	5.59	-36.48
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)C1	REAL300017747824	0	40	-1.0	-50.15	350.57	4.32	-45.83
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300017747825	0	36	-1.0	-42.58	333.35	3.56	-39.02
COC1(C(=O)[O-])CN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300017747826	0	36	-1.0	-42.72	313.34	3.25	-39.47
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C1	REAL300017747827	0	35	-1.0	-41.20	325.19	3.22	-37.98
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C1	REAL300017747828	0	39	-1.0	-53.79	344.48	2.60	-51.19
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300017747829	0	30	-1.0	-60.58	294.49	3.09	-57.49
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300017747830	0	37	-1.0	-42.81	319.56	4.88	-37.93
COC1=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=CS1	REAL300017747831	0	31	-1.0	-42.03	289.96	1.18	-40.85
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C1	REAL300017747832	0	33	-1.0	-57.47	306.74	4.47	-53.00
COC(=O)C1=C(C)SC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747833	0	36	-1.0	-50.66	337.12	3.21	-47.45
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C1	REAL300017747834	0	37	-1.0	-44.74	321.55	4.83	-39.91
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300017747835	0	40	-1.0	-43.71	335.12	3.37	-40.34
CCC(C)N1N=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747836	0	39	-1.0	-43.67	330.28	2.66	-41.01
CNC(=O)NC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747837	0	39	-1.0	-62.11	342.97	0.39	-61.72
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C1	REAL300017747838	0	33	-1.0	-62.89	326.33	-0.61	-63.50
COC1(C(=O)[O-])CN(S(=O)(=O)N(C)C2CCCCCC2)C1	REAL300017747839	0	44	-1.0	-42.46	341.10	3.47	-38.99
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747840	0	34	-1.0	-39.21	307.30	2.65	-36.56
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)C1	REAL300017747841	0	44	-1.0	-43.90	353.99	1.37	-42.53
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C1	REAL300017747842	0	36	-1.0	-44.00	323.54	4.16	-39.84
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300017747843	0	34	-1.0	-45.49	309.59	2.21	-43.28
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300017747844	0	45	-1.0	-43.84	365.19	5.10	-38.74
COC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)S1	REAL300017747845	0	31	-1.0	-53.90	295.94	1.35	-52.55
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)C1	REAL300017747846	0	41	-1.0	-64.80	343.26	5.19	-59.61
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300017747847	0	38	-1.0	-44.10	326.88	2.63	-41.47
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300017747848	0	33	-1.0	-44.91	303.61	1.25	-43.66
CCOCC1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747849	0	40	-1.0	-45.35	347.26	3.32	-42.03
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C1	REAL300017747852	0	40	-1.0	-46.77	348.99	4.01	-42.76
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300017747853	0	43	-1.0	-44.76	356.73	3.58	-41.18
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300017747854	0	41	-1.0	-53.99	361.52	5.77	-48.22
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300017747855	0	33	-1.0	-56.37	288.10	3.55	-52.82
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=C(Br)C(C)=C2)C1	REAL300017747856	0	36	-1.0	-40.81	328.04	4.52	-36.29
CCN1N=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1Cl	REAL300017747857	0	33	-1.0	-52.94	314.03	1.82	-51.12
COC1(C(=O)[O-])CN(S(=O)(=O)C=CC2=CC=CC=C2Br)C1	REAL300017747858	0	34	-1.0	-44.72	320.51	4.33	-40.39
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CC(OC)(C(=O)[O-])C1)=C2	REAL300017747859	0	36	-1.0	-43.12	356.04	3.77	-39.35
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300017747860	0	30	-1.0	-53.83	301.95	3.80	-50.03
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300017747861	0	32	-1.0	-44.49	307.13	1.81	-42.68
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C1	REAL300017747862	0	35	-1.0	-63.26	328.34	4.10	-59.16
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C1	REAL300017747863	0	35	-1.0	-47.36	316.04	3.42	-43.94
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C1	REAL300017747864	0	39	-1.0	-46.21	321.59	5.29	-40.92
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747865	0	34	-1.0	-45.54	322.17	3.79	-41.75
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCCF)C=C2)C1	REAL300017747866	0	37	-1.0	-57.12	330.08	3.27	-53.85
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)C(=O)N3C)C1	REAL300017747867	0	44	-1.0	-42.46	374.45	4.27	-38.19
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300017747868	0	30	-1.0	-52.27	299.91	3.51	-48.76
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(S(C)(=O)=O)=C(C)O2)C1	REAL300017747869	0	36	-1.0	-57.92	333.19	-1.05	-58.97
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C1	REAL300017747870	0	40	-1.0	-48.13	343.36	3.93	-44.20
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C1	REAL300017747871	0	36	-1.0	-58.00	343.65	0.29	-57.71
COC1(C(=O)[O-])CN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300017747872	0	34	-1.0	-54.61	310.48	4.15	-50.46
COC1(C(=O)[O-])CN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300017747873	0	34	-1.0	-41.02	323.53	4.57	-36.45
COC1(C(=O)[O-])CN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300017747874	0	34	-1.0	-54.11	325.36	4.71	-49.40
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300017747875	0	34	-1.0	-42.38	314.14	4.10	-38.28
COC(=O)C1CCCCN1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747876	0	41	-1.0	-57.02	330.70	3.12	-53.90
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C1	REAL300017747877	0	52	-1.0	-44.53	400.04	6.96	-37.57
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C1	REAL300017747878	0	33	-1.0	-41.27	315.78	3.59	-37.68
COC1=CC=C(C=C(C)S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747879	0	41	-1.0	-56.16	348.73	3.97	-52.19
COC(=O)C=CC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1	REAL300017747880	0	40	-1.0	-57.37	358.82	4.79	-52.58
CCOC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=NN1	REAL300017747881	0	36	-1.0	-44.25	331.31	0.35	-43.90
COC1=CSC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1OC	REAL300017747882	0	35	-1.0	-56.64	324.97	0.80	-55.84
COC1(C(=O)[O-])CN(C(=O)N2C[C@H]3CC[C@@](C)(C2)C3(C)C)C1	REAL300017747883	0	47	-1.0	-50.44	333.21	7.38	-43.06
COC1(C(=O)[O-])CN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300017747884	0	42	-1.0	-52.31	331.35	3.31	-49.00
COC1(C(=O)[O-])CN(S(=O)(=O)N(C)CCC2=CC=CC=C2)C1	REAL300017747885	0	41	-1.0	-55.70	350.10	4.71	-50.99
COC1(C(=O)[O-])CN(C(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300017747886	0	41	-1.0	-44.50	331.94	8.65	-35.85
COC1(C(=O)[O-])CN(C(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300017747887	0	47	-1.0	-43.75	362.12	8.57	-35.18
COC1(C(=O)[O-])CN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1	REAL300017747888	0	48	-1.0	-50.57	366.79	5.51	-45.06
COC(=O)C1CCN(C(=O)N2CC(OC)(C(=O)[O-])C2)CC1	REAL300017747889	0	40	-1.0	-50.73	318.46	5.38	-45.35
COC1(C(=O)[O-])CN(C(=O)N(C)C2CCS(=O)(=O)C2)C1	REAL300017747890	0	37	-1.0	-51.12	302.29	1.10	-50.02
COC1(C(=O)[O-])CN(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1	REAL300017747891	0	49	-1.0	-49.63	380.16	6.20	-43.43
COC(=O)C1CN(C(=O)N2CC(OC)(C(=O)[O-])C2)CCO1	REAL300017747892	0	38	-1.0	-43.54	310.81	3.40	-40.14
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747893	0	34	-1.0	-43.53	320.21	3.90	-39.63
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300017747894	0	34	-1.0	-60.73	320.84	3.74	-56.99
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300017747895	0	34	-1.0	-44.29	315.81	2.42	-41.87
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C3C=CC=CC3=NN2C)C1	REAL300017747896	0	36	-1.0	-47.27	314.72	2.70	-44.57
COC1(C(=O)[O-])CN(C(=O)N2CCC(OC(C)=O)CC2)C1	REAL300017747897	0	40	-1.0	-52.01	319.64	5.63	-46.38
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C1	REAL300017747898	0	37	-1.0	-48.17	324.04	4.53	-43.64
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C1	REAL300017747899	0	33	-1.0	-63.33	305.04	4.35	-58.98
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300017747900	0	39	-1.0	-40.90	349.21	3.27	-37.63
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300017747901	0	27	-1.0	-38.87	296.00	2.65	-36.22
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)N(C)N=C2)C1	REAL300017747902	0	30	-1.0	-53.11	292.26	0.95	-52.16
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)N(C3=CC=CC=C3)N=C2C)C1	REAL300017747903	0	43	-1.0	-53.14	364.66	5.28	-47.86
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=C3C(=C2)C(C)(C)C(=O)N3C)C1	REAL300017747904	0	47	-1.0	-45.01	388.76	4.54	-40.47
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300017747905	0	33	-1.0	-44.65	326.60	4.17	-40.48
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C1	REAL300017747906	0	35	-1.0	-56.72	324.85	3.57	-53.15
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747907	0	38	-1.0	-60.55	327.55	2.27	-58.28
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300017747908	0	41	-1.0	-45.40	359.06	5.48	-39.92
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C1	REAL300017747909	0	36	-1.0	-51.22	306.89	4.65	-46.57
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C1	REAL300017747910	0	35	-1.0	-46.51	325.20	1.21	-45.30
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300017747911	0	31	-1.0	-46.06	311.83	1.37	-44.69
COC1(C(=O)[O-])CN(C(=O)N2CCCC(OC(C)=O)C2)C1	REAL300017747912	0	40	-1.0	-58.44	320.84	5.68	-52.76
COCN1N=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747913	0	34	-1.0	-51.64	305.23	-0.87	-52.51
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=C(Cl)C=C2C)C1	REAL300017747914	0	32	-1.0	-37.92	285.83	1.73	-36.19
C=C(C)COC1=CC=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747915	0	41	-1.0	-46.19	353.98	4.26	-41.93
CCN1C=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300017747916	0	40	-1.0	-45.14	339.34	3.20	-41.94
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C1	REAL300017747917	0	34	-1.0	-61.75	307.63	2.09	-59.66
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300017747918	0	36	-1.0	-43.62	332.98	5.42	-38.20
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCC(OC(C)=O)C2)C1	REAL300017747919	0	38	-1.0	-56.33	331.94	2.09	-54.24
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300017747920	0	40	-1.0	-42.66	361.27	6.71	-35.95
CCC1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CC=C1Br	REAL300017747921	0	36	-1.0	-40.04	329.37	4.65	-35.39
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=NN2C2CCCC2)C1	REAL300017747922	0	43	-1.0	-51.40	358.85	4.11	-47.29
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300017747923	0	27	-1.0	-38.49	279.14	2.29	-36.20
COCCC1=CC=C(OC)C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747924	0	44	-1.0	-44.28	371.18	3.03	-41.25
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300017747925	0	36	-1.0	-56.06	326.85	5.53	-50.53
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C3COCCC3=NN2C)C1	REAL300017747926	0	38	-1.0	-46.11	322.60	0.50	-45.61
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300017747927	0	37	-1.0	-57.70	307.37	4.70	-53.00
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCC(C)(C)CC2)C1	REAL300017747928	0	41	-1.0	-42.17	323.35	2.64	-39.53
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCC(COC(C)=O)CC2)C1	REAL300017747929	0	44	-1.0	-55.63	366.61	3.60	-52.03
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747930	0	44	-1.0	-46.16	378.57	3.45	-42.71
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300017747931	0	40	-1.0	-56.58	335.77	0.72	-55.86
COC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C(C)=N1	REAL300017747932	0	36	-1.0	-41.66	300.05	-0.30	-41.96
COC1=NC=C(C)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747933	0	36	-1.0	-45.78	313.89	0.52	-45.26
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300017747934	0	45	-1.0	-55.03	373.64	3.23	-51.80
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747935	0	33	-1.0	-41.70	309.17	0.37	-41.33
COC1=NC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C	REAL300017747936	0	36	-1.0	-52.56	319.47	0.32	-52.24
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(CC(C)C)N=C2)C1	REAL300017747937	0	39	-1.0	-45.10	333.88	2.71	-42.39
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN(C(C)C)N=C2C)C1	REAL300017747938	0	39	-1.0	-55.26	335.55	2.62	-52.64
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300017747939	0	29	-1.0	-45.39	298.60	0.50	-44.89
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C#N)C=CS2)C1	REAL300017747940	0	28	-1.0	-59.93	281.64	2.27	-57.66
COC1(C(=O)[O-])CN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C1	REAL300017747941	0	34	-1.0	-42.64	333.21	4.76	-37.88
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=NN2C(C)C)C1	REAL300017747942	0	36	-1.0	-42.73	311.72	2.01	-40.72
COC(=O)C1=NC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C	REAL300017747943	0	38	-1.0	-52.00	338.53	2.24	-49.76
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C1	REAL300017747944	0	33	-1.0	-43.17	299.51	4.02	-39.15
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300017747945	0	37	-1.0	-41.64	319.15	2.69	-38.95
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300017747946	0	37	-1.0	-47.94	319.92	3.72	-44.22
COC1=NOC(CS(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747947	0	33	-1.0	-61.78	303.96	-0.79	-62.57
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300017747948	0	35	-1.0	-49.98	305.41	3.00	-46.98
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)N(C(C)C)N=C2)C1	REAL300017747949	0	39	-1.0	-57.25	334.91	2.69	-54.56
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300017747950	0	37	-1.0	-44.28	330.20	4.83	-39.45
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300017747951	0	32	-1.0	-54.07	299.49	1.93	-52.14
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3C)C=C2)C1	REAL300017747952	0	44	-1.0	-43.84	379.74	6.11	-37.73
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300017747953	0	37	-1.0	-45.17	332.43	4.78	-40.39
COC1(C(=O)[O-])CN(C(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300017747954	0	37	-1.0	-43.52	301.39	5.28	-38.24
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C1	REAL300017747955	0	34	-1.0	-44.42	317.33	3.08	-41.34
COC1(C(=O)[O-])CN(C(=O)N2CC=C(Br)CC2)C1	REAL300017747956	0	32	-1.0	-48.82	277.89	5.31	-43.51
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C1	REAL300017747957	0	33	-1.0	-45.70	306.58	3.66	-42.04
COC1(C(=O)[O-])CN(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)C1	REAL300017747958	0	38	-1.0	-62.10	330.31	-1.30	-63.40
COC1(C(=O)[O-])CN(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300017747959	0	37	-1.0	-42.80	302.13	0.66	-42.14
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCC(C#N)CC2)C1	REAL300017747960	0	36	-1.0	-55.52	309.70	2.31	-53.21
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C1	REAL300017747962	0	37	-1.0	-54.48	318.06	4.80	-49.68
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C)C(Cl)=C2Cl)C1	REAL300017747963	0	33	-1.0	-42.63	309.40	4.12	-38.51
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300017747964	0	34	-1.0	-52.77	323.83	2.75	-50.02
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C1	REAL300017747965	0	37	-1.0	-46.87	336.44	3.71	-43.16
COC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C(C(F)F)=C1	REAL300017747966	0	37	-1.0	-43.46	320.15	3.24	-40.22
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747967	0	36	-1.0	-40.91	331.57	0.87	-40.04
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C)C3=CC=CN=C32)C1	REAL300017747968	0	38	-1.0	-64.21	330.05	4.08	-60.13
COC1(C(=O)[O-])CN(C(=O)N2CC(OCC3=CC=CC=C3)C2)C1	REAL300017747969	0	42	-1.0	-48.94	349.62	6.33	-42.61
COC1(C(=O)[O-])CN(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)C1	REAL300017747970	0	45	-1.0	-54.30	360.43	3.12	-51.18
COC1(C(=O)[O-])CN(C(=O)N2CCC(COC(C)=O)CC2)C1	REAL300017747971	0	43	-1.0	-52.92	340.95	6.33	-46.59
COC(=O)C1CCCN(C(=O)N2CC(OC)(C(=O)[O-])C2)C1	REAL300017747972	0	40	-1.0	-43.64	318.72	4.98	-38.66
COC1(C(=O)[O-])CN(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300017747973	0	33	-1.0	-37.74	302.34	2.51	-35.23
COC1(C(=O)[O-])CN(S(=O)(=O)N2CCC(F)(F)C2)C1	REAL300017747975	0	32	-1.0	-53.80	288.98	1.37	-52.43
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=CC=C2OC(C)C)C1	REAL300017747976	0	43	-1.0	-60.05	359.56	4.83	-55.22
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)SC(Cl)=C2)C1	REAL300017747977	0	30	-1.0	-52.89	294.96	3.19	-49.70
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300017747978	0	37	-1.0	-44.19	339.57	3.58	-40.61
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C3CCCCN3N=C2)C1	REAL300017747979	0	37	-1.0	-44.11	308.60	1.77	-42.34
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)N=C2)CC1	REAL300017747980	0	42	-1.0	-56.83	339.66	4.84	-51.99
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C=C2)CC1	REAL300017747982	0	45	-1.0	-53.71	355.80	7.79	-45.92
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(Cl)=C2)CC1	REAL300017747983	0	42	-1.0	-50.78	357.54	7.71	-43.07
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2C#N)CC1	REAL300017747998	0	46	-1.0	-61.98	376.53	8.06	-53.92
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=C(C)C([N+](=O)[O-])=C2)CC1	REAL300017747999	0	50	-1.0	-55.16	395.48	8.83	-46.33
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)CC1	REAL300017748000	0	50	-1.0	-55.81	386.03	8.68	-47.13
CC1=CC=C(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017769099	0	38	-1.0	-50.80	330.73	5.28	-45.52
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(CC#N)C=C2)C1	REAL300017769100	0	36	-1.0	-56.11	322.43	5.03	-51.08
COC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC(F)=C1F	REAL300017769101	0	38	-1.0	-51.42	345.81	4.60	-46.82
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C1	REAL300017769102	0	44	-1.0	-52.60	364.58	5.30	-47.30
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300017769103	0	50	-1.0	-49.51	363.02	5.83	-43.68
CC1=NC2=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=CC=C2C=C1	REAL300017769104	0	40	-1.0	-56.70	342.08	5.08	-51.62
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300017769105	0	40	-1.0	-64.51	345.18	5.74	-58.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300017769106	0	43	-1.0	-49.98	357.35	2.40	-47.58
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769107	0	46	-1.0	-53.93	402.70	4.91	-49.02
CCCN1C=NC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769108	0	38	-1.0	-56.73	324.22	4.96	-51.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Br)=C(C#N)C=C2F)C1	REAL300017769109	0	33	-1.0	-48.71	318.55	4.50	-44.21
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(C#N)SC=C2)C1	REAL300017769110	0	30	-1.0	-57.76	273.57	2.72	-55.04
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2CCC(F)CC2)C1	REAL300017769111	0	41	-1.0	-51.05	329.31	5.06	-45.99
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300017769112	0	35	-1.0	-49.19	315.67	4.95	-44.24
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300017769113	0	38	-1.0	-64.83	328.31	4.84	-59.99
CC1=CSC(C2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2)=N1	REAL300017769114	0	41	-1.0	-54.33	366.43	5.33	-49.00
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1F	REAL300017769115	0	38	-1.0	-61.14	347.76	4.73	-56.41
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769116	0	41	-1.0	-53.47	353.16	4.89	-48.58
CC1=C(Br)C=CC=C1CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769117	0	38	-1.0	-50.41	336.44	5.74	-44.67
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300017769118	0	35	-1.0	-50.39	319.36	5.39	-45.00
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300017769119	0	32	-1.0	-48.02	318.22	4.99	-43.03
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769120	0	39	-1.0	-66.06	336.13	1.29	-64.77
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769121	0	57	-1.0	-50.11	460.52	8.79	-41.32
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769122	0	47	-1.0	-53.77	390.06	6.20	-47.57
CCC1CCN(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300017769123	0	43	-1.0	-49.03	337.33	4.32	-44.71
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300017769124	0	38	-1.0	-51.48	331.92	5.43	-46.05
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300017769125	0	38	-1.0	-55.83	331.07	5.39	-50.44
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300017769126	0	38	-1.0	-54.38	338.20	5.72	-48.66
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769127	0	36	-1.0	-50.58	335.87	4.28	-46.30
COC1=CC2=C(C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1)C(=O)NCCC2	REAL300017769128	0	47	-1.0	-67.15	384.60	2.71	-64.44
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)S2)C1	REAL300017769129	0	43	-1.0	-57.63	371.43	4.36	-53.27
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300017769130	0	39	-1.0	-53.83	353.92	6.43	-47.40
COC1CCN(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300017769131	0	41	-1.0	-50.93	326.12	1.89	-49.04
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300017769132	0	35	-1.0	-49.96	322.59	5.50	-44.46
CCC(C)OC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769133	0	45	-1.0	-50.37	370.23	5.52	-44.85
CC(CC(F)(F)F)CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769134	0	37	-1.0	-55.24	316.27	4.05	-51.19
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C1	REAL300017769135	0	39	-1.0	-52.59	346.51	5.68	-46.91
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=C2)=N1	REAL300017769136	0	44	-1.0	-58.85	372.82	3.84	-55.01
COC1=CC(F)=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769137	0	36	-1.0	-50.70	314.93	3.68	-47.02
COC(=O)C1=C(C)C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)O1	REAL300017769138	0	38	-1.0	-55.88	337.63	3.23	-52.65
CCC1=NC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CN1CC1CC1	REAL300017769139	0	45	-1.0	-57.14	375.74	5.64	-51.50
CC(=O)N1CC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2C1	REAL300017769140	0	43	-1.0	-53.97	363.64	4.33	-49.64
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300017769141	0	35	-1.0	-49.92	321.38	3.36	-46.56
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300017769142	0	35	-1.0	-62.78	329.66	3.65	-59.13
CCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300017769143	0	51	-1.0	-51.93	411.66	6.91	-45.02
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300017769144	0	40	-1.0	-50.09	344.12	6.21	-43.88
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769145	0	39	-1.0	-49.12	321.23	4.00	-45.12
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300017769146	0	45	-1.0	-53.65	381.91	6.12	-47.53
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300017769147	0	46	-1.0	-49.72	397.68	7.21	-42.51
COC(CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300017769148	0	42	-1.0	-50.40	362.07	4.97	-45.43
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C1	REAL300017769149	0	44	-1.0	-54.19	364.26	5.30	-48.89
COC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017769150	0	40	-1.0	-53.52	362.10	2.76	-50.76
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=CC=C12	REAL300017769151	0	44	-1.0	-55.76	371.31	6.71	-49.05
COC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017769152	0	43	-1.0	-57.59	365.91	3.05	-54.54
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2(C(F)F)CCCC2)C1	REAL300017769153	0	41	-1.0	-51.79	322.47	5.52	-46.27
CCOC1(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)CCOCC1	REAL300017769154	0	46	-1.0	-53.55	353.09	2.87	-50.68
CCOC(CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1)C1CC1	REAL300017769155	0	42	-1.0	-53.18	344.34	4.16	-49.02
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1F	REAL300017769156	0	38	-1.0	-61.08	337.44	4.29	-56.79
CC(=O)N1CCC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=C(Cl)C=C21	REAL300017769157	0	43	-1.0	-56.10	372.60	5.45	-50.65
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769158	0	35	-1.0	-50.59	321.80	2.47	-48.12
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300017769159	0	43	-1.0	-56.24	380.83	7.96	-48.28
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769160	0	35	-1.0	-52.49	322.70	5.32	-47.17
CC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1Br	REAL300017769161	0	35	-1.0	-50.29	314.89	5.16	-45.13
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769162	0	38	-1.0	-53.09	338.61	5.01	-48.08
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300017769163	0	40	-1.0	-53.71	338.23	1.62	-52.09
COC1=CC(Br)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769164	0	36	-1.0	-51.17	330.99	3.78	-47.39
COC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017769165	0	38	-1.0	-48.05	332.39	4.95	-43.10
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769166	0	38	-1.0	-54.32	334.06	5.76	-48.56
COCCN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300017769167	0	39	-1.0	-54.78	339.95	1.48	-53.30
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769168	0	45	-1.0	-54.62	366.91	5.21	-49.41
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300017769169	0	39	-1.0	-52.72	344.54	4.40	-48.32
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1C	REAL300017769170	0	59	-1.0	-47.84	463.14	8.27	-39.57
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300017769171	0	40	-1.0	-54.21	353.73	6.03	-48.18
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(F)C(Br)=C2)C1	REAL300017769172	0	32	-1.0	-48.08	303.87	4.88	-43.20
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=C(F)C=C2F)C1	REAL300017769173	0	35	-1.0	-54.92	315.74	4.67	-50.25
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300017769174	0	39	-1.0	-59.64	344.82	1.73	-57.91
CCN1C(=O)OC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017769175	0	41	-1.0	-60.59	356.12	4.82	-55.77
CC1=C(Br)C=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769176	0	35	-1.0	-49.58	312.86	5.26	-44.32
COCC1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769177	0	39	-1.0	-51.48	326.97	3.95	-47.53
COC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300017769178	0	36	-1.0	-49.78	330.12	3.83	-45.95
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Cl)SC(S(C)(=O)=O)=C2)C1	REAL300017769179	0	35	-1.0	-59.11	349.32	0.95	-58.16
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300017769180	0	35	-1.0	-51.40	324.15	2.92	-48.48
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C1	REAL300017769181	0	43	-1.0	-51.06	357.64	5.12	-45.94
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C1	REAL300017769182	0	40	-1.0	-52.89	359.16	0.63	-52.26
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017769183	0	43	-1.0	-50.87	376.62	1.89	-48.98
CCC(=O)NCC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1OC	REAL300017769184	0	49	-1.0	-60.77	411.11	3.02	-57.75
CCC1=CC=C(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769185	0	41	-1.0	-52.20	346.90	6.01	-46.19
COC1=CC=C(Br)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769186	0	36	-1.0	-51.43	327.58	3.91	-47.52
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300017769187	0	47	-1.0	-46.89	390.62	4.65	-42.24
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769188	0	41	-1.0	-57.72	362.36	2.28	-55.44
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C1	REAL300017769189	0	34	-1.0	-49.91	328.47	3.77	-46.14
CC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300017769190	0	37	-1.0	-49.28	337.77	4.90	-44.38
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769191	0	37	-1.0	-59.02	336.41	4.91	-54.11
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Br)=CC(C#N)=C2)C1	REAL300017769192	0	33	-1.0	-48.49	322.31	4.86	-43.63
CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300017769193	0	39	-1.0	-51.67	348.63	5.11	-46.56
CC1(C(=O)[O-])CC(NS(=O)(=O)CCNC(=O)OCC2=CC=CC=C2)C1	REAL300017769194	0	46	-1.0	-55.48	397.50	3.29	-52.19
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=C(F)C=CC=C2F)C1	REAL300017769195	0	35	-1.0	-55.62	314.64	4.63	-50.99
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769196	0	45	-1.0	-52.73	391.15	5.46	-47.27
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCOC(C)(C)C2)C1	REAL300017769197	0	41	-1.0	-49.75	323.84	2.37	-47.38
COC1=C(C)C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017769198	0	42	-1.0	-49.66	349.25	5.04	-44.62
CC(C)CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769199	0	48	-1.0	-49.98	392.10	6.18	-43.80
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300017769200	0	46	-1.0	-50.16	374.84	6.08	-44.08
CC(C)COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769201	0	45	-1.0	-50.20	373.13	5.57	-44.63
CCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769202	0	42	-1.0	-50.17	353.03	4.88	-45.29
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017769203	0	36	-1.0	-48.58	325.72	3.72	-44.86
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300017769204	0	36	-1.0	-50.26	332.14	4.34	-45.92
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017769205	0	39	-1.0	-50.90	329.77	3.90	-47.00
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300017769206	0	45	-1.0	-52.21	369.54	5.45	-46.76
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1	REAL300017769207	0	39	-1.0	-52.35	324.33	4.04	-48.31
COCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769208	0	43	-1.0	-51.71	365.16	3.35	-48.36
COCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017769209	0	46	-1.0	-54.88	385.25	4.09	-50.79
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC=C2F)C1	REAL300017769210	0	35	-1.0	-51.87	309.32	4.60	-47.27
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769211	0	43	-1.0	-53.59	370.95	3.52	-50.07
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300017769212	0	47	-1.0	-52.18	381.97	3.66	-48.52
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769213	0	42	-1.0	-54.16	352.01	3.71	-50.45
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300017769214	0	35	-1.0	-49.82	318.14	5.25	-44.57
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2Cl)C1	REAL300017769215	0	38	-1.0	-53.16	354.42	1.94	-51.22
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769216	0	38	-1.0	-52.45	341.12	5.85	-46.60
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)C1	REAL300017769217	0	33	-1.0	-47.23	316.41	4.66	-42.57
CC1=CC(Br)=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769218	0	35	-1.0	-50.35	316.21	5.36	-44.99
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1C	REAL300017769219	0	40	-1.0	-51.14	330.83	6.78	-44.36
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769220	0	38	-1.0	-55.11	348.43	5.07	-50.04
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769221	0	41	-1.0	-57.56	355.68	2.27	-55.29
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)C1	REAL300017769222	0	36	-1.0	-47.33	324.36	5.74	-41.59
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)C1	REAL300017769223	0	33	-1.0	-54.53	316.43	4.66	-49.87
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769224	0	48	-1.0	-51.82	391.16	5.59	-46.23
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300017769225	0	44	-1.0	-54.51	384.68	2.01	-52.50
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769226	0	40	-1.0	-55.70	356.80	0.03	-55.67
CC(=O)NCCC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300017769227	0	42	-1.0	-57.90	377.73	2.79	-55.11
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)O1	REAL300017769228	0	35	-1.0	-50.79	321.17	2.66	-48.13
CC1=NC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300017769229	0	34	-1.0	-50.40	305.43	2.41	-47.99
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300017769230	1	34	-1.0	-61.98	306.30	5.52	-56.46
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300017769231	0	35	-1.0	-50.18	337.48	5.58	-44.60
CCOC(=O)C1=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C(C)N1	REAL300017769232	0	45	-1.0	-47.70	374.23	4.49	-43.21
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300017769233	0	32	-1.0	-52.38	298.98	4.73	-47.65
CC1=NC(C2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)S2)=CS1	REAL300017769234	0	38	-1.0	-53.01	359.64	4.40	-48.61
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300017769235	0	52	-1.0	-49.95	414.76	7.48	-42.47
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(C(=O)NCC(F)(F)F)=C2)C1	REAL300017769236	0	42	-1.0	-52.25	377.46	3.43	-48.82
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769237	0	41	-1.0	-60.51	349.70	5.40	-55.11
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C1	REAL300017769238	0	34	-1.0	-47.82	314.28	5.85	-41.97
COC1=CC(F)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300017769239	0	40	-1.0	-53.43	336.82	2.82	-50.61
COC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300017769240	0	43	-1.0	-56.09	354.39	3.86	-52.23
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300017769241	1	34	-1.0	-47.11	328.62	6.55	-40.56
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769242	0	40	-1.0	-57.18	342.98	5.13	-52.05
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C1	REAL300017769243	0	35	-1.0	-60.21	318.08	4.71	-55.50
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(N)=O	REAL300017769244	0	37	-1.0	-53.46	322.40	0.01	-53.45
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769245	0	35	-1.0	-50.35	311.65	5.26	-45.09
CCOC(=O)C1CCCN1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769246	0	43	-1.0	-55.06	357.42	4.63	-50.43
CNC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CN1C	REAL300017769247	0	40	-1.0	-53.49	344.08	1.51	-51.98
COC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1	REAL300017769248	0	42	-1.0	-51.07	335.60	4.64	-46.43
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=C(C=C2Cl)CCC(=O)N3)C1	REAL300017769249	0	40	-1.0	-54.95	353.11	3.61	-51.34
COC(=O)C1=CC=C(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769250	0	41	-1.0	-54.79	358.82	5.23	-49.56
COC(=O)C1CCN(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300017769251	0	43	-1.0	-52.01	348.34	3.51	-48.50
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)C1	REAL300017769252	0	43	-1.0	-51.95	355.67	3.99	-47.96
COC(=O)C1=CC=CC(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769253	0	41	-1.0	-56.37	354.29	5.53	-50.84
CCOC(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)O1	REAL300017769254	0	38	-1.0	-50.55	343.03	3.59	-46.96
COC(=O)CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769255	0	45	-1.0	-55.54	386.99	4.93	-50.61
COC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017769256	0	42	-1.0	-53.81	344.39	4.78	-49.03
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3COC(=O)C3=C2)C1	REAL300017769257	0	36	-1.0	-52.11	318.56	4.23	-47.88
CCOC(=O)CCCS(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769258	0	40	-1.0	-59.37	343.73	4.05	-55.32
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300017769259	0	35	-1.0	-50.98	316.20	5.94	-45.04
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300017769260	0	34	-1.0	-47.60	318.84	5.95	-41.65
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769261	0	37	-1.0	-50.73	312.58	6.15	-44.58
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)C1	REAL300017769262	0	34	-1.0	-46.97	324.89	5.26	-41.71
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Br)C=CS2)C1	REAL300017769263	0	29	-1.0	-50.19	285.81	3.14	-47.05
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=C2COC3=O)C1	REAL300017769264	0	36	-1.0	-53.63	314.64	4.51	-49.12
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300017769265	0	40	-1.0	-50.38	326.11	5.06	-45.32
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=C(Cl)N=C2)C1	REAL300017769266	0	34	-1.0	-51.12	315.72	3.21	-47.91
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=C(C=C2F)NC(=O)CC3)C1	REAL300017769267	0	40	-1.0	-57.05	337.87	2.80	-54.25
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300017769268	0	31	-1.0	-47.17	309.80	3.18	-43.99
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C1	REAL300017769269	0	34	-1.0	-53.44	306.28	4.28	-49.16
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)C1	REAL300017769270	0	34	-1.0	-47.23	324.60	4.99	-42.24
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769271	0	41	-1.0	-56.86	353.25	2.61	-54.25
CCN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300017769272	0	37	-1.0	-51.61	330.24	4.74	-46.87
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300017769273	0	34	-1.0	-50.99	313.36	5.21	-45.78
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)C1	REAL300017769274	0	34	-1.0	-47.01	314.82	4.60	-42.41
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300017769275	0	39	-1.0	-50.12	351.11	4.55	-45.57
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300017769276	0	34	-1.0	-49.74	318.85	5.94	-43.80
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300017769277	0	46	-1.0	-51.47	391.44	7.14	-44.33
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2F)C1	REAL300017769278	0	40	-1.0	-56.90	351.64	0.32	-56.58
CCC(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769279	0	40	-1.0	-53.23	343.28	5.13	-48.10
CCOC(=O)N1CCN(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300017769280	0	45	-1.0	-53.23	364.97	2.96	-50.27
COC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC=C(Cl)N=C2C=C1	REAL300017769281	0	41	-1.0	-52.04	359.24	5.10	-46.94
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300017769282	0	42	-1.0	-56.77	366.18	5.43	-51.34
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300017769283	0	35	-1.0	-70.35	308.38	3.05	-67.30
CC(C)CCN(CCC(C)C)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769284	0	54	-1.0	-48.40	414.70	6.62	-41.78
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C1	REAL300017769285	0	40	-1.0	-60.43	353.75	0.57	-59.86
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300017769286	0	35	-1.0	-52.04	305.89	4.94	-47.10
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(F)C(S(C)(=O)=O)=C2)C1	REAL300017769287	0	38	-1.0	-54.22	345.28	1.40	-52.82
CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300017769288	0	45	-1.0	-53.84	371.35	6.49	-47.35
CCOC1=CC=C(C)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769289	0	42	-1.0	-53.85	351.89	5.21	-48.64
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300017769290	0	37	-1.0	-54.94	328.47	4.04	-50.90
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300017769291	0	39	-1.0	-56.08	340.76	4.99	-51.09
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)C1	REAL300017769292	0	34	-1.0	-46.08	324.59	4.99	-41.09
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(F)=C2C#N)C1	REAL300017769293	0	33	-1.0	-49.16	304.19	4.18	-44.98
CCOCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769294	0	46	-1.0	-51.76	387.01	4.32	-47.44
CCCCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769295	0	48	-1.0	-50.03	396.03	6.44	-43.59
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300017769296	0	34	-1.0	-61.55	314.88	6.05	-55.50
COC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1F	REAL300017769297	0	38	-1.0	-51.42	336.20	4.89	-46.53
COC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300017769298	0	38	-1.0	-49.42	360.55	5.48	-43.94
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769299	0	42	-1.0	-59.65	363.60	4.27	-55.38
COC(=O)CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300017769300	0	38	-1.0	-56.28	349.55	4.46	-51.82
COC(=O)C1=CSC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769301	0	35	-1.0	-49.51	328.24	3.52	-45.99
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769302	0	44	-1.0	-60.62	368.07	5.86	-54.76
COC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300017769303	0	38	-1.0	-50.36	344.18	5.25	-45.11
COC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1C	REAL300017769304	0	41	-1.0	-54.63	351.02	5.04	-49.59
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769305	0	38	-1.0	-53.17	332.82	4.25	-48.92
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300017769306	0	42	-1.0	-50.97	332.61	6.89	-44.08
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300017769307	0	38	-1.0	-50.99	328.63	5.67	-45.32
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300017769308	0	31	-1.0	-45.79	293.19	3.02	-42.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300017769309	0	36	-1.0	-51.20	336.56	5.32	-45.88
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300017769310	0	37	-1.0	-50.35	316.17	3.16	-47.19
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)C1	REAL300017769311	0	37	-1.0	-49.47	330.87	-0.68	-50.15
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2S1	REAL300017769312	0	46	-1.0	-52.70	393.20	5.81	-46.89
COC(=O)CC1(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300017769313	0	41	-1.0	-53.15	340.73	4.68	-48.47
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769314	0	37	-1.0	-49.72	337.26	3.95	-45.77
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C(F)C=C1F	REAL300017769315	0	35	-1.0	-52.28	304.77	4.31	-47.97
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769316	0	39	-1.0	-53.31	348.37	4.80	-48.51
CC(C)N1N=CC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017769317	0	44	-1.0	-52.51	370.92	5.40	-47.11
CCCCCCN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(=O)NC1=O	REAL300017769318	0	50	-1.0	-66.38	410.30	4.46	-61.92
CC1=CN(C2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2F)N=C1	REAL300017769319	0	42	-1.0	-53.14	363.79	5.72	-47.42
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300017769320	0	39	-1.0	-53.75	351.31	2.64	-51.11
CCS(=O)(=O)NCCS(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769321	0	39	-1.0	-61.64	344.93	-1.41	-63.05
CC1=CC(F)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017769322	0	35	-1.0	-50.86	304.84	4.32	-46.54
CC1=CC(Cl)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017769323	0	37	-1.0	-53.39	337.95	5.60	-47.79
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Br)O2)C1	REAL300017769324	0	29	-1.0	-48.99	286.01	2.59	-46.40
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300017769325	0	38	-1.0	-50.02	329.42	5.44	-44.58
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300017769326	0	29	-1.0	-46.81	308.14	4.09	-42.72
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC(F)=CC=C3S2)C1	REAL300017769327	0	35	-1.0	-51.52	325.52	5.35	-46.17
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300017769328	0	35	-1.0	-51.47	335.83	5.80	-45.67
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300017769329	0	38	-1.0	-54.77	347.80	6.74	-48.03
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C1	REAL300017769330	0	35	-1.0	-49.49	333.59	5.72	-43.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)C1	REAL300017769331	0	38	-1.0	-52.44	326.08	6.68	-45.76
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300017769332	0	38	-1.0	-52.46	337.89	6.72	-45.74
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(=O)NCC(F)(F)F	REAL300017769333	0	43	-1.0	-51.33	384.89	2.82	-48.51
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CN1C	REAL300017769334	0	42	-1.0	-62.55	363.21	4.90	-57.65
CCOC(=O)C1CC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300017769335	0	46	-1.0	-56.31	393.68	6.10	-50.21
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(S(C)(=O)=O)C(F)=C2)C1	REAL300017769336	0	38	-1.0	-54.26	345.30	1.40	-52.86
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC=C2CS(C)(=O)=O)C1	REAL300017769337	0	41	-1.0	-59.00	367.19	3.36	-55.64
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769338	0	45	-1.0	-55.17	386.74	5.39	-49.78
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)SC2=CC=CC(F)=C12	REAL300017769339	0	38	-1.0	-53.29	333.30	5.58	-47.71
CC1(C(=O)[O-])CC(NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300017769340	0	43	-1.0	-55.70	380.26	0.92	-54.78
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C1	REAL300017769341	1	33	-1.0	-51.13	308.35	4.50	-46.63
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1N(C)C	REAL300017769342	0	43	-1.0	-49.94	354.80	4.51	-45.43
CN1C(Cl)=NC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769343	0	32	-1.0	-52.25	297.67	2.68	-49.57
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769344	0	37	-1.0	-57.00	335.72	5.78	-51.22
CSC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017769345	0	36	-1.0	-48.06	335.40	5.33	-42.73
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)N=C1Cl	REAL300017769346	0	32	-1.0	-58.45	299.88	2.71	-55.74
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C#N)C1	REAL300017769347	0	35	-1.0	-51.23	322.95	4.56	-46.67
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC(=O)OCC2=CC=CC=C2)C1	REAL300017769348	0	44	-1.0	-54.31	381.33	6.34	-47.97
CN(C)C1=CC=C(Br)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769349	0	40	-1.0	-51.41	349.20	5.02	-46.39
CC1=NN2C=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=NC2=C1Cl	REAL300017769350	0	37	-1.0	-52.16	338.71	3.70	-48.46
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769351	0	38	-1.0	-49.76	341.05	5.87	-43.89
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769352	0	44	-1.0	-48.35	351.91	4.29	-44.06
CCC1=NOC2=NC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C12	REAL300017769353	0	39	-1.0	-53.30	342.41	1.54	-51.76
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1F	REAL300017769354	0	37	-1.0	-46.21	333.25	5.18	-41.03
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300017769355	0	38	-1.0	-51.19	347.39	6.75	-44.44
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769356	0	38	-1.0	-49.74	330.72	5.43	-44.31
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C1	REAL300017769357	0	35	-1.0	-69.15	317.47	3.71	-65.44
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=C(Cl)C=C2Br)C1	REAL300017769358	0	35	-1.0	-51.91	337.46	5.64	-46.27
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC(N)=O)C1	REAL300017769359	0	40	-1.0	-61.31	364.26	2.13	-59.18
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300017769360	0	31	-1.0	-48.14	305.62	3.04	-45.10
COC(=O)C1CCCCC1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769361	0	44	-1.0	-52.63	345.21	5.22	-47.41
COC(=O)C1(C2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300017769362	0	45	-1.0	-54.82	378.53	6.49	-48.33
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300017769363	0	39	-1.0	-55.28	321.45	4.20	-51.08
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=C(Cl)C=C2C#N)C1	REAL300017769364	0	36	-1.0	-49.54	339.02	5.31	-44.23
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300017769365	0	38	-1.0	-49.02	348.80	1.95	-47.07
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769366	0	36	-1.0	-50.99	335.88	4.28	-46.71
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300017769367	0	41	-1.0	-60.55	346.52	7.60	-52.95
CCC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C(C(=O)OC)O1	REAL300017769368	0	41	-1.0	-50.68	360.95	4.18	-46.50
CC1(C(=O)[O-])CC(NS(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)C1	REAL300017769369	0	49	-1.0	-59.18	397.50	5.77	-53.41
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1F	REAL300017769370	0	39	-1.0	-50.81	329.48	4.09	-46.72
CC1(C(=O)[O-])CC(NS(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C1	REAL300017769371	0	52	-1.0	-58.88	400.45	5.46	-53.42
CC1(C(=O)[O-])CC(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1	REAL300017769372	0	46	-1.0	-56.31	373.76	4.11	-52.20
CC1(C(=O)[O-])CC(NS(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)C1	REAL300017769373	0	43	-1.0	-48.49	377.52	4.59	-43.90
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769374	0	40	-1.0	-49.10	352.32	6.01	-43.09
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2(C#N)CCCCC2)C1	REAL300017769375	0	42	-1.0	-61.30	330.61	5.03	-56.27
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2(C)CCCCC2)C1	REAL300017769376	0	44	-1.0	-51.86	325.43	5.64	-46.22
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300017769377	0	41	-1.0	-53.20	342.24	5.28	-47.92
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300017769378	0	35	-1.0	-51.51	319.27	2.71	-48.80
COC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1F	REAL300017769379	0	36	-1.0	-50.59	315.93	3.23	-47.36
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769380	0	43	-1.0	-56.73	370.41	3.91	-52.82
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769381	0	46	-1.0	-55.20	397.52	5.09	-50.11
CC(C)C1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769382	0	41	-1.0	-52.44	331.82	5.84	-46.60
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300017769383	0	46	-1.0	-52.30	395.79	7.18	-45.12
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300017769384	0	47	-1.0	-53.20	403.89	6.54	-46.66
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769385	0	44	-1.0	-60.48	371.56	6.33	-54.15
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300017769386	0	32	-1.0	-46.02	315.40	4.98	-41.04
CC1=C(Cl)SC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769387	0	32	-1.0	-50.57	309.16	4.08	-46.49
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(F)=C1	REAL300017769388	0	36	-1.0	-56.29	307.56	2.91	-53.38
CC1=CC=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300017769389	0	40	-1.0	-50.40	336.17	6.84	-43.56
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300017769390	0	38	-1.0	-51.95	341.18	5.64	-46.31
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300017769391	0	42	-1.0	-50.47	366.11	6.81	-43.66
COC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769392	0	40	-1.0	-51.80	347.36	2.08	-49.72
CN(C)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769393	0	40	-1.0	-52.02	331.72	4.25	-47.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300017769394	0	38	-1.0	-51.56	325.87	4.37	-47.19
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300017769396	0	35	-1.0	-51.93	314.36	4.79	-47.14
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300017769397	0	35	-1.0	-47.46	335.66	5.37	-42.09
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C1	REAL300017769398	0	35	-1.0	-52.48	316.82	4.61	-47.87
CC1=CC(Br)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769399	0	35	-1.0	-52.07	322.91	5.14	-46.93
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769400	0	43	-1.0	-56.85	342.98	2.03	-54.82
CSC1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769401	0	36	-1.0	-52.70	316.67	4.92	-47.78
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769402	0	43	-1.0	-57.92	359.20	3.77	-54.15
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300017769403	0	44	-1.0	-55.80	372.98	3.86	-51.94
COC1=C(F)C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017769404	0	38	-1.0	-48.42	343.67	4.69	-43.73
COC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017769405	0	42	-1.0	-56.37	370.90	3.21	-53.16
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C1	REAL300017769406	0	43	-1.0	-54.34	379.10	5.68	-48.66
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(OC)=C1	REAL300017769407	0	42	-1.0	-52.15	363.25	4.28	-47.87
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769408	0	35	-1.0	-52.16	322.70	5.33	-46.83
CC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300017769409	0	40	-1.0	-59.70	339.03	5.91	-53.79
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300017769410	0	40	-1.0	-56.79	343.90	5.11	-51.68
CC1(C(=O)[O-])CC(NS(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300017769411	0	38	-1.0	-62.13	324.87	0.29	-61.84
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017769412	0	42	-1.0	-56.62	360.44	4.77	-51.85
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300017769413	0	37	-1.0	-55.28	323.93	4.34	-50.94
COC1=CC(F)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(F)=C1	REAL300017769414	0	36	-1.0	-52.08	317.07	3.40	-48.68
CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1	REAL300017769415	0	42	-1.0	-52.14	346.18	4.97	-47.17
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769416	0	40	-1.0	-63.18	356.81	0.03	-63.15
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769417	0	41	-1.0	-54.81	351.74	5.58	-49.23
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300017769418	0	36	-1.0	-53.01	318.64	3.88	-49.13
CSC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769419	0	36	-1.0	-50.12	320.38	4.88	-45.24
CCCOC(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769420	0	44	-1.0	-49.90	378.32	6.24	-43.66
CCC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769421	0	42	-1.0	-53.85	356.84	3.56	-50.29
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300017769422	0	38	-1.0	-54.35	342.73	5.56	-48.79
CCN(CC1=CC=CC=C1)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769423	0	43	-1.0	-50.45	348.58	5.58	-44.87
CCN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)N=C1C	REAL300017769424	0	38	-1.0	-58.90	325.32	3.66	-55.24
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Cl)N=C2Cl)C1	REAL300017769425	0	31	-1.0	-47.07	305.33	3.01	-44.06
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300017769426	0	38	-1.0	-53.21	323.77	3.47	-49.74
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300017769427	0	37	-1.0	-53.60	316.34	4.31	-49.29
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300017769428	0	44	-1.0	-54.88	373.92	5.84	-49.04
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(F)=C2F)C1	REAL300017769429	0	32	-1.0	-59.43	284.38	3.66	-55.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Br)=CC=C2F)C1	REAL300017769430	0	32	-1.0	-50.82	299.38	4.24	-46.58
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017769431	0	38	-1.0	-54.60	334.63	5.38	-49.22
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300017769432	0	38	-1.0	-51.16	346.56	4.21	-46.95
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C12	REAL300017769433	0	40	-1.0	-55.14	346.51	3.58	-51.56
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=C(Br)C=C2F)C1	REAL300017769434	0	35	-1.0	-54.56	330.62	5.23	-49.33
CC1=NOC2=NC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C12	REAL300017769435	0	36	-1.0	-54.75	320.92	0.81	-53.94
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(CCCCl)C=C2)C1	REAL300017769436	0	41	-1.0	-52.32	361.73	6.70	-45.62
COCC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769437	0	39	-1.0	-51.62	335.26	3.58	-48.04
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)C1	REAL300017769438	0	34	-1.0	-53.46	324.95	5.26	-48.20
COC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C(C(=O)OC)S1	REAL300017769439	0	41	-1.0	-54.90	375.68	5.06	-49.84
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769440	0	38	-1.0	-53.01	330.80	5.40	-47.61
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300017769441	0	35	-1.0	-51.02	317.49	5.02	-46.00
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300017769442	0	44	-1.0	-62.76	372.26	2.66	-60.10
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300017769443	0	39	-1.0	-51.63	350.01	4.36	-47.27
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300017769444	0	32	-1.0	-48.78	315.01	5.05	-43.73
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CN=C21	REAL300017769445	0	40	-1.0	-49.06	349.87	1.27	-47.79
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1F	REAL300017769478	0	41	-1.0	-54.83	361.40	5.46	-49.37
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300017769479	0	40	-1.0	-51.78	341.99	4.49	-47.29
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(F)=CC=C2Cl)C1	REAL300017769480	0	32	-1.0	-49.54	300.11	4.49	-45.05
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769481	0	51	-1.0	-55.73	411.67	6.95	-48.78
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300017769482	0	35	-1.0	-52.80	330.92	5.46	-47.34
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C#N)C=C2Cl)C1	REAL300017769483	0	33	-1.0	-48.09	314.07	4.83	-43.26
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017769484	0	39	-1.0	-60.33	348.20	3.13	-57.20
CC1CC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300017769485	0	40	-1.0	-52.26	337.25	4.47	-47.79
COC1=CC(Cl)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017769486	0	36	-1.0	-50.66	338.85	4.29	-46.37
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769487	0	44	-1.0	-49.58	337.36	7.04	-42.54
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769488	0	44	-1.0	-52.97	369.81	2.81	-50.16
COC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CS1	REAL300017769489	0	35	-1.0	-57.94	324.95	3.83	-54.11
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769490	0	41	-1.0	-53.31	362.96	6.35	-46.96
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300017769491	0	43	-1.0	-51.58	381.78	7.54	-44.04
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300017769492	0	38	-1.0	-51.95	342.10	4.84	-47.11
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300017769493	0	38	-1.0	-50.96	356.86	4.67	-46.29
COC(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1C	REAL300017769494	0	41	-1.0	-51.08	344.13	5.25	-45.83
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)C1	REAL300017769495	0	34	-1.0	-46.27	329.71	5.15	-41.12
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769496	0	36	-1.0	-47.70	335.85	4.54	-43.16
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769497	0	44	-1.0	-54.90	356.67	4.47	-50.43
CCOC(=O)N1CCC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300017769498	0	46	-1.0	-53.44	360.89	3.56	-49.88
CC1=NC(C2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2)=CO1	REAL300017769499	0	41	-1.0	-53.90	352.06	3.22	-50.68
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)C1	REAL300017769500	0	31	-1.0	-47.62	307.28	2.94	-44.68
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300017769501	0	35	-1.0	-58.04	309.95	4.23	-53.81
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300017769502	0	35	-1.0	-50.08	306.24	2.52	-47.56
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300017769503	0	40	-1.0	-51.72	333.89	4.49	-47.23
COC1=CC=C(Cl)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769504	0	36	-1.0	-51.71	324.23	3.75	-47.96
COC(=O)C1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300017769505	0	41	-1.0	-60.43	363.31	6.50	-53.93
COC(=O)CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769506	0	41	-1.0	-55.75	357.14	5.30	-50.45
CC1(C(=O)[O-])CC(NS(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300017769507	0	39	-1.0	-51.25	328.25	5.80	-45.45
CC1=CC=C(N2C=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=N2)C=C1	REAL300017769508	0	42	-1.0	-53.75	363.60	5.65	-48.10
CC1(C(=O)[O-])CC(NS(=O)(=O)[C@@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017769509	0	50	-1.0	-54.28	420.53	5.99	-48.29
CC1(C(=O)[O-])CC(NS(=O)(=O)[C@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017769510	0	50	-1.0	-50.62	407.82	5.98	-44.64
CC1(C(=O)[O-])CC(NS(=O)(=O)C2CN(C(=O)OCC3=CC=CC=C3)C2)C1	REAL300017769511	0	47	-1.0	-55.20	403.94	5.14	-50.06
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300017769512	0	34	-1.0	-51.31	320.93	4.24	-47.07
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C21	REAL300017769513	0	43	-1.0	-72.97	360.71	4.98	-67.99
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(Cl)=C2Br)C1	REAL300017769514	0	32	-1.0	-48.25	311.52	5.04	-43.21
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C1	REAL300017769515	0	32	-1.0	-47.83	313.00	5.29	-42.54
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769516	0	42	-1.0	-51.69	339.00	5.41	-46.28
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1C#N	REAL300017769517	0	36	-1.0	-49.86	320.18	4.75	-45.11
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017769518	0	38	-1.0	-53.96	336.18	4.89	-49.07
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769519	0	36	-1.0	-53.75	325.23	4.14	-49.61
COC1=CC=C(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769520	0	39	-1.0	-56.23	324.46	4.05	-52.18
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C#N)C(Br)=C2)C1	REAL300017769521	0	33	-1.0	-46.95	320.69	4.75	-42.20
COC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Cl	REAL300017769522	0	39	-1.0	-55.47	341.20	4.51	-50.96
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300017769523	0	38	-1.0	-48.91	357.47	4.52	-44.39
CC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017769524	0	39	-1.0	-52.52	337.44	3.21	-49.31
COC1=CC(Cl)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300017769525	0	40	-1.0	-50.95	352.40	3.62	-47.33
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300017769526	0	36	-1.0	-51.16	322.34	3.85	-47.31
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C1	REAL300017769527	0	35	-1.0	-52.15	324.52	4.92	-47.23
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017769528	0	43	-1.0	-53.64	368.95	1.15	-52.49
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C2S1	REAL300017769529	0	44	-1.0	-55.28	394.83	6.90	-48.38
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(CC#N)=C2)C1	REAL300017769530	0	36	-1.0	-56.85	322.42	5.02	-51.83
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300017769531	0	36	-1.0	-49.39	326.13	3.90	-45.49
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C1	REAL300017769532	0	37	-1.0	-57.60	336.96	-0.53	-58.13
CC1=CC2=C(C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1)OCO2	REAL300017769533	0	38	-1.0	-54.72	320.92	3.40	-51.32
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769534	0	38	-1.0	-49.73	330.89	5.02	-44.71
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300017769535	0	32	-1.0	-47.16	310.04	4.95	-42.21
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769536	0	38	-1.0	-47.68	312.53	5.42	-42.26
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300017769537	0	32	-1.0	-49.38	313.46	5.10	-44.28
COC1=CC2=C(C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1)OCC(=O)N2	REAL300017769538	0	42	-1.0	-55.57	359.63	0.82	-54.75
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C#N)S2)C1	REAL300017769539	0	30	-1.0	-50.29	294.13	3.41	-46.88
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300017769540	0	33	-1.0	-54.58	297.82	2.32	-52.26
COC1=CN=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769541	0	35	-1.0	-49.83	301.44	1.69	-48.14
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(Br)=C2F)C1	REAL300017769542	0	32	-1.0	-56.66	298.69	4.21	-52.45
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1OC	REAL300017769543	0	42	-1.0	-54.62	362.28	4.57	-50.05
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C1	REAL300017769544	0	36	-1.0	-60.49	331.45	1.15	-59.34
CCOC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769545	0	39	-1.0	-50.42	331.56	4.08	-46.34
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C3OC(C)(C)CC3=CC=C2)C1	REAL300017769546	0	43	-1.0	-54.72	359.52	5.08	-49.64
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)C1	REAL300017769547	0	36	-1.0	-55.19	336.86	5.04	-50.15
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(Cl)=C2C#N)C1	REAL300017769585	0	33	-1.0	-48.66	313.69	4.57	-44.09
CC1=CC=C(C#N)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769586	0	36	-1.0	-55.75	315.75	5.14	-50.61
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300017769587	0	46	-1.0	-54.42	378.90	4.10	-50.32
CC1CC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300017769588	0	40	-1.0	-48.91	353.97	4.98	-43.93
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017769589	0	37	-1.0	-46.16	320.10	5.44	-40.72
CC1=CC=C(Br)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769590	0	35	-1.0	-50.19	318.08	5.26	-44.93
COC(=O)C1=COC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769591	0	35	-1.0	-52.79	315.56	2.91	-49.88
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300017769592	0	43	-1.0	-59.87	367.93	4.62	-55.25
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300017769593	0	34	-1.0	-54.17	312.19	3.35	-50.82
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769594	0	42	-1.0	-63.46	347.81	4.10	-59.36
COC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)SC=C1	REAL300017769595	0	33	-1.0	-54.75	294.08	2.23	-52.52
CC(=O)NC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1C	REAL300017769596	0	42	-1.0	-64.81	355.09	3.64	-61.17
CC1(C(=O)[O-])CC(NS(=O)(=O)CCCC(F)(F)F)C1	REAL300017769597	0	34	-1.0	-56.03	306.05	3.49	-52.54
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300017769598	0	37	-1.0	-53.39	327.36	3.92	-49.47
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)C1	REAL300017769599	0	38	-1.0	-56.21	328.24	1.44	-54.77
CN1CCCC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C21	REAL300017769600	0	44	-1.0	-51.97	354.41	4.41	-47.56
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300017769601	0	34	-1.0	-52.67	314.92	3.09	-49.58
CC1=CC=C(Cl)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769602	0	35	-1.0	-49.67	315.13	5.07	-44.60
COC1=CC=CC(OC)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769603	0	40	-1.0	-55.47	332.65	4.40	-51.07
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CN=C1Cl	REAL300017769604	0	34	-1.0	-52.46	310.84	3.08	-49.38
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)C1	REAL300017769605	0	38	-1.0	-54.10	331.57	2.91	-51.19
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C1	REAL300017769606	0	31	-1.0	-46.06	298.84	3.92	-42.14
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300017769607	0	41	-1.0	-52.56	353.18	5.50	-47.06
CC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1C#N	REAL300017769608	0	36	-1.0	-50.48	317.48	4.64	-45.84
COC1=CC(OC)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769609	0	40	-1.0	-54.64	339.17	2.46	-52.18
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C#N)=CC=C2Cl)C1	REAL300017769610	0	33	-1.0	-52.19	315.53	4.85	-47.34
CN1C=NC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017769611	0	38	-1.0	-55.17	328.47	5.21	-49.96
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017769612	0	40	-1.0	-60.28	332.33	5.75	-54.53
CCC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1CC	REAL300017769613	0	44	-1.0	-51.14	357.26	6.43	-44.71
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769614	0	40	-1.0	-48.66	335.09	6.09	-42.57
CC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1Cl	REAL300017769615	0	35	-1.0	-50.34	312.08	5.00	-45.34
COC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C(C)O1	REAL300017769616	0	38	-1.0	-44.91	323.91	2.88	-42.03
CC1=C(C)SC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769617	0	35	-1.0	-50.12	313.84	4.22	-45.90
CC1=CC=CC(F)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769618	0	35	-1.0	-48.61	294.82	4.66	-43.95
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CN=C2N)C1	REAL300017769619	0	33	-1.0	-50.98	302.39	1.73	-49.25
CCC1=NC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300017769620	0	34	-1.0	-49.55	310.20	2.43	-47.12
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300017769621	0	38	-1.0	-53.33	331.28	5.90	-47.43
COC(=O)C1=NSC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769622	0	34	-1.0	-50.45	312.69	2.71	-47.74
COC(=O)C1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)SC=N1	REAL300017769623	1	34	-1.0	-49.82	320.37	1.60	-48.22
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC(C)=C1F	REAL300017769624	0	38	-1.0	-49.41	327.23	5.20	-44.21
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)C1	REAL300017769625	0	40	-1.0	-70.11	339.78	2.31	-67.80
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC3(CC2)OCCO3)C1	REAL300017769626	0	43	-1.0	-50.52	344.23	1.93	-48.59
COC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CN1C	REAL300017769627	0	39	-1.0	-50.68	341.37	3.96	-46.72
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=CC(Cl)=C2)C1	REAL300017769628	0	31	-1.0	-45.92	288.62	2.91	-43.01
CC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1F	REAL300017769629	0	35	-1.0	-56.10	298.40	4.25	-51.85
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769630	0	43	-1.0	-49.29	362.65	5.69	-43.60
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC(Cl)=CC=C2F)C1	REAL300017769631	0	35	-1.0	-51.22	321.53	5.41	-45.81
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=C(F)C(Cl)=C2)C1	REAL300017769632	0	35	-1.0	-52.62	326.61	5.13	-47.49
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300017769633	0	32	-1.0	-52.56	295.39	4.58	-47.98
CC1=CC(F)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769634	0	35	-1.0	-53.44	308.02	4.59	-48.85
COC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CN=C1Cl	REAL300017769635	0	35	-1.0	-47.35	321.05	1.83	-45.52
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC(C#N)=CC=C2F)C1	REAL300017769636	0	36	-1.0	-53.86	325.64	5.29	-48.57
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300017769637	0	37	-1.0	-53.30	330.93	2.69	-50.61
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300017769638	0	31	-1.0	-52.69	295.12	3.16	-49.53
COCC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769639	0	39	-1.0	-51.94	335.25	3.59	-48.35
COC1=CC(C#N)=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769640	0	37	-1.0	-51.36	329.29	4.03	-47.33
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769641	0	38	-1.0	-49.60	351.71	5.02	-44.58
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)C1	REAL300017769642	0	35	-1.0	-51.81	325.40	1.93	-49.88
CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300017769643	0	38	-1.0	-49.25	329.23	1.48	-47.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C1	REAL300017769644	0	41	-1.0	-62.85	365.22	2.06	-60.79
CC(=O)NC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1F	REAL300017769645	0	39	-1.0	-60.23	342.21	2.87	-57.36
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C21	REAL300017769646	0	46	-1.0	-68.09	372.65	5.46	-62.63
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300017769647	0	35	-1.0	-54.27	308.24	2.49	-51.78
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769648	0	38	-1.0	-50.62	334.78	5.69	-44.93
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769649	0	42	-1.0	-58.22	369.19	1.15	-57.07
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2CC1	REAL300017769650	0	49	-1.0	-57.40	392.93	5.81	-51.59
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017769651	0	41	-1.0	-48.47	365.14	5.32	-43.15
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769652	0	41	-1.0	-49.91	353.94	6.34	-43.57
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300017769653	0	35	-1.0	-51.79	316.90	5.21	-46.58
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C1	REAL300017769654	0	35	-1.0	-48.71	320.52	5.86	-42.85
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769655	0	46	-1.0	-54.43	391.74	2.05	-52.38
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769656	0	45	-1.0	-59.52	385.47	5.18	-54.34
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1C	REAL300017769657	0	44	-1.0	-49.35	372.90	5.97	-43.38
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769658	0	44	-1.0	-55.93	379.01	6.22	-49.71
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1OC	REAL300017769659	0	43	-1.0	-52.66	375.73	3.65	-49.01
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C(F)C=C1C	REAL300017769660	0	44	-1.0	-51.46	370.70	5.72	-45.74
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300017769661	0	38	-1.0	-54.09	343.06	5.86	-48.23
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769662	0	41	-1.0	-52.81	354.68	5.17	-47.64
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300017769663	0	42	-1.0	-51.37	354.40	7.27	-44.10
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769664	0	46	-1.0	-55.13	399.34	1.65	-53.48
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300017769665	0	35	-1.0	-50.85	320.72	5.13	-45.72
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CN1C	REAL300017769666	0	44	-1.0	-49.75	382.21	5.08	-44.67
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300017769667	0	36	-1.0	-53.31	326.86	4.73	-48.58
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300017769668	0	35	-1.0	-49.83	314.36	4.79	-45.04
CC1=NC(Cl)=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769669	0	34	-1.0	-49.34	308.42	3.37	-45.97
CC1=NC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C(Br)N1C	REAL300017769670	0	35	-1.0	-54.63	319.11	3.19	-51.44
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C1	REAL300017769671	0	33	-1.0	-49.26	300.25	3.07	-46.19
COC(=O)C(C)(C)CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769672	0	40	-1.0	-52.12	329.98	3.77	-48.35
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769673	0	45	-1.0	-54.73	372.34	4.70	-50.03
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(F)=C1	REAL300017769674	0	38	-1.0	-57.32	332.80	4.27	-53.05
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769675	0	43	-1.0	-55.62	378.85	3.10	-52.52
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300017769676	0	47	-1.0	-55.39	393.13	6.68	-48.71
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769677	0	44	-1.0	-57.86	383.85	3.07	-54.79
COC(=O)C1(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)CCCC1	REAL300017769678	0	44	-1.0	-57.74	349.40	5.22	-52.52
COCC1=CC(Cl)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769679	0	39	-1.0	-52.18	352.00	4.09	-48.09
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300017769680	0	38	-1.0	-49.05	334.63	5.37	-43.68
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300017769681	0	43	-1.0	-50.77	385.60	7.22	-43.55
COC(=O)CC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769682	0	41	-1.0	-56.07	357.15	5.29	-50.78
CC1(C(=O)[O-])CC(NS(=O)(=O)CC23CCC(CC2)C3)C1	REAL300017769683	0	42	-1.0	-50.41	327.17	5.36	-45.05
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300017769684	0	38	-1.0	-54.05	341.70	5.79	-48.26
COC(=O)C1(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)CCC1	REAL300017769685	0	41	-1.0	-56.58	344.98	4.28	-52.30
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300017769686	0	32	-1.0	-50.97	312.76	4.04	-46.93
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769687	0	45	-1.0	-60.40	390.04	4.22	-56.18
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769688	0	48	-1.0	-60.37	411.91	5.15	-55.22
COC(=O)C1(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)CCCCC1	REAL300017769689	0	47	-1.0	-56.57	362.16	5.64	-50.93
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769690	0	40	-1.0	-52.26	351.34	4.92	-47.34
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=N1	REAL300017769691	1	34	-1.0	-57.65	303.99	3.19	-54.46
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CNC3=CC=CC=C23)C1	REAL300017769692	0	36	-1.0	-52.81	313.97	3.80	-49.01
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC1CC(C)(C(=O)[O-])C1)=C2	REAL300017769693	0	45	-1.0	-59.10	380.01	7.69	-51.41
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC(Cl)=C2Br)C1	REAL300017769694	0	35	-1.0	-55.12	335.60	5.57	-49.55
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=CC=CC(F)=C2Br)C1	REAL300017769695	0	35	-1.0	-56.21	326.49	5.16	-51.05
COC1=CC=C(Br)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1F	REAL300017769696	0	36	-1.0	-59.08	327.98	4.07	-55.01
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769697	0	42	-1.0	-50.79	355.98	6.09	-44.70
CC(C)(CCS(=O)(=O)NC1CC(C)(C(=O)[O-])C1)C1CC1	REAL300017769698	0	44	-1.0	-50.25	344.53	5.29	-44.96
CC1(C(=O)[O-])CC(NS(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300017769699	0	36	-1.0	-50.82	326.34	5.48	-45.34
CC1(C(=O)[O-])CC(NS(=O)(=O)CCCC2=CC=CC=C2)C1	REAL300017769700	0	41	-1.0	-52.00	347.00	6.14	-45.86
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300017769702	0	36	-1.0	-46.01	305.47	-1.08	-47.09
CCCC1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769706	0	41	-1.0	-52.38	333.37	6.39	-45.99
CC1(C(=O)[O-])CC(NS(=O)(=O)CC2=NOC3=C2CCCC3)C1	REAL300017769707	0	41	-1.0	-52.63	342.39	4.57	-48.06
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC=C2C(F)F)C1	REAL300017769708	0	32	-1.0	-51.11	296.00	4.04	-47.07
CC1(C(=O)[O-])CC(NS(=O)(=O)CCC2=CC=CC(F)=C2)C1	REAL300017769709	0	38	-1.0	-54.71	332.74	5.42	-49.29
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769710	0	48	-1.0	-48.98	393.68	6.61	-42.37
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300017769711	0	37	-1.0	-52.84	316.42	4.38	-48.46
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017769712	0	52	-1.0	-57.50	406.80	6.30	-51.20
COC(=O)C1=CN(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769713	0	39	-1.0	-62.72	341.61	4.04	-58.68
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3NC(=O)CC(C)(C)C3=C2)C1	REAL300017769714	0	46	-1.0	-52.66	375.74	3.94	-48.72
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C1	REAL300017769715	0	47	-1.0	-74.38	390.88	6.51	-67.87
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C21	REAL300017769716	0	46	-1.0	-73.28	381.02	5.79	-67.49
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300017769717	0	39	-1.0	-55.02	330.09	3.55	-51.47
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300017769718	0	39	-1.0	-48.72	321.08	3.43	-45.29
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300017769719	0	42	-1.0	-49.72	337.84	4.05	-45.67
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300017769727	0	38	-1.0	-52.36	347.04	4.75	-47.61
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C1	REAL300017769728	0	38	-1.0	-51.08	330.91	1.09	-49.99
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Br)C=CO2)C1	REAL300017769729	1	29	-1.0	-51.07	280.30	2.77	-48.30
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300017769730	0	39	-1.0	-56.05	321.73	3.95	-52.10
COC1=C(F)C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017769731	0	36	-1.0	-49.24	321.54	3.71	-45.53
COC1=CC(F)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1F	REAL300017769732	0	36	-1.0	-50.51	313.81	2.99	-47.52
CCCCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300017769733	0	57	-1.0	-49.91	454.65	8.47	-41.44
COC1=CC(C(C)C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017769734	0	48	-1.0	-53.71	381.33	5.92	-47.79
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769735	0	42	-1.0	-54.20	355.22	5.26	-48.94
CCOCCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300017769736	0	55	-1.0	-55.05	445.64	6.33	-48.72
CC1=CSC(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769737	0	35	-1.0	-47.07	299.61	4.44	-42.63
CC1CC2=CC=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=C2O1	REAL300017769738	0	40	-1.0	-54.00	337.37	4.41	-49.59
CC(C)(C)C1=NC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300017769739	0	40	-1.0	-49.92	348.86	3.51	-46.41
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C1	REAL300017769740	0	40	-1.0	-52.47	343.91	6.37	-46.10
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769741	0	36	-1.0	-51.54	316.13	4.42	-47.12
CC1=C(Br)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C(C)S1	REAL300017769742	0	35	-1.0	-50.81	320.14	5.10	-45.71
CC1=CC(Cl)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300017769743	0	35	-1.0	-49.20	325.96	5.85	-43.35
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C21	REAL300017769744	0	49	-1.0	-59.75	388.85	5.90	-53.85
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300017769745	0	38	-1.0	-51.60	332.29	4.49	-47.11
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C21	REAL300017769746	0	46	-1.0	-55.34	377.35	5.34	-50.00
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC=C2Cl)C1	REAL300017769747	0	29	-1.0	-50.79	287.17	3.29	-47.50
CN1N=C(Br)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769748	0	32	-1.0	-50.07	302.14	1.97	-48.10
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C1	REAL300017769749	0	34	-1.0	-48.59	314.08	3.02	-45.57
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769750	0	37	-1.0	-59.49	320.88	3.46	-56.03
CC1(C(=O)[O-])CC(NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300017769751	0	41	-1.0	-53.56	322.08	4.00	-49.56
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CNC3=CC(Br)=CC=C32)C1	REAL300017769752	0	36	-1.0	-50.69	335.25	4.41	-46.28
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300017769753	0	33	-1.0	-51.85	295.08	2.65	-49.20
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300017769754	0	35	-1.0	-55.27	319.04	5.28	-49.99
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CNC3=C(Br)C=CC=C23)C1	REAL300017769755	0	36	-1.0	-52.63	336.68	4.42	-48.21
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C1	REAL300017769756	0	35	-1.0	-63.26	325.10	3.55	-59.71
CN1N=C(C2CC2)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769757	0	39	-1.0	-51.15	332.13	3.57	-47.58
CC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1F	REAL300017769758	0	41	-1.0	-52.50	331.90	6.11	-46.39
COC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1OC	REAL300017769759	0	40	-1.0	-52.17	337.69	3.68	-48.49
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C1	REAL300017769760	0	41	-1.0	-67.77	348.53	1.08	-66.69
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Br)C(C#N)=C2)C1	REAL300017769761	0	33	-1.0	-54.23	320.71	4.76	-49.47
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=COC3=CC=CC=C23)C1	REAL300017769762	0	35	-1.0	-52.62	309.98	4.13	-48.49
COC1=CC=C(F)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1OC	REAL300017769763	0	40	-1.0	-54.93	339.07	4.07	-50.86
COC(=O)C1=C(Br)OC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769764	1	35	-1.0	-49.65	334.30	3.54	-46.11
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300017769765	0	45	-1.0	-52.47	369.17	4.72	-47.75
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C1	REAL300017769766	0	36	-1.0	-58.48	328.74	5.65	-52.83
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300017769768	0	39	-1.0	-53.01	333.68	4.03	-48.98
CC1(C(=O)[O-])CC(NC(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300017769769	0	34	-1.0	-55.90	312.49	7.55	-48.35
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300017769770	0	36	-1.0	-54.76	319.43	3.43	-51.33
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CNC3=CC=C(Br)C=C32)C1	REAL300017769771	0	36	-1.0	-51.38	335.32	4.42	-46.96
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300017769772	0	35	-1.0	-54.11	308.76	3.01	-51.10
CN1N=NC2=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=CC=C21	REAL300017769773	0	37	-1.0	-67.44	317.85	2.34	-65.10
CC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1Br	REAL300017769775	0	38	-1.0	-53.54	334.48	5.93	-47.61
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCCC(C)(C)C2)C1	REAL300017769776	0	43	-1.0	-49.37	334.68	4.24	-45.13
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300017769777	0	38	-1.0	-48.57	348.40	4.99	-43.58
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C3C=COC3=C(F)C=C2)C1	REAL300017769778	0	35	-1.0	-52.86	313.94	4.23	-48.63
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300017769779	0	42	-1.0	-52.54	352.12	4.23	-48.31
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769780	0	50	-1.0	-53.25	392.14	7.75	-45.50
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300017769781	0	38	-1.0	-51.46	352.33	5.72	-45.74
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Cl)SC=C2)C1	REAL300017769782	0	29	-1.0	-47.88	286.47	3.37	-44.51
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300017769783	0	42	-1.0	-49.62	354.18	4.51	-45.11
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300017769784	0	36	-1.0	-49.01	312.42	5.36	-43.65
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300017769785	0	43	-1.0	-52.34	379.22	6.67	-45.67
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769786	0	45	-1.0	-56.31	369.99	2.26	-54.05
COC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300017769787	0	41	-1.0	-63.31	344.08	5.21	-58.10
CCCC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769788	0	41	-1.0	-50.57	344.58	6.07	-44.50
COC(=O)C1=NN(C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769789	0	38	-1.0	-56.76	336.47	2.20	-54.56
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(F)=CC=C2C#N)C1	REAL300017769790	0	33	-1.0	-49.88	304.76	4.21	-45.67
CN1N=C2CCCC2=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769791	0	39	-1.0	-50.63	321.79	3.70	-46.93
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300017769792	0	36	-1.0	-50.45	336.65	5.20	-45.25
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)C=C2C=C1	REAL300017769793	0	44	-1.0	-55.05	380.87	6.77	-48.28
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769794	0	41	-1.0	-50.64	321.19	3.18	-47.46
CC(C)(C)N1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300017769795	0	41	-1.0	-51.29	340.16	3.88	-47.41
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300017769796	0	39	-1.0	-51.29	329.79	2.90	-48.39
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300017769797	0	37	-1.0	-47.01	331.20	3.68	-43.33
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300017769798	0	35	-1.0	-48.20	325.34	4.93	-43.27
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(CF)C=C2)C1	REAL300017769799	0	35	-1.0	-51.69	308.17	4.68	-47.01
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(C(F)(F)F)SC=C2)C1	REAL300017769800	0	32	-1.0	-47.73	300.85	4.34	-43.39
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300017769801	0	32	-1.0	-46.12	311.94	3.95	-42.17
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC(F)(F)CC2)C1	REAL300017769802	0	37	-1.0	-49.30	307.27	3.03	-46.27
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C1	REAL300017769803	0	35	-1.0	-51.05	332.10	5.28	-45.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2C(F)F)C1	REAL300017769804	0	35	-1.0	-54.73	299.78	5.29	-49.44
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769805	0	43	-1.0	-52.90	364.78	5.89	-47.01
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300017769806	0	43	-1.0	-53.32	348.87	6.93	-46.39
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3C(=C2)C(=O)OC3(C)C)C1	REAL300017769807	0	42	-1.0	-50.62	360.43	5.54	-45.08
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300017769808	0	38	-1.0	-50.65	342.65	4.89	-45.76
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300017769809	0	38	-1.0	-51.31	320.10	4.62	-46.69
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C1	REAL300017769810	0	37	-1.0	-54.14	339.45	4.29	-49.85
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769811	0	42	-1.0	-50.49	376.39	4.63	-45.86
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(N3C(=O)CCC3=O)N=C2)C1	REAL300017769812	0	41	-1.0	-60.17	354.34	3.83	-56.34
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300017769813	0	32	-1.0	-47.82	298.86	4.21	-43.61
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300017769814	0	39	-1.0	-50.60	329.40	5.96	-44.64
COC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=CS1	REAL300017769815	0	33	-1.0	-47.85	295.26	2.39	-45.46
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C1	REAL300017769816	0	35	-1.0	-49.23	310.17	5.41	-43.82
COC(=O)C1=C(C)SC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769817	0	38	-1.0	-50.60	347.81	4.20	-46.40
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C3CC3)C=C2F)C1	REAL300017769818	0	39	-1.0	-55.02	327.31	5.72	-49.30
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300017769819	0	42	-1.0	-48.52	338.78	4.16	-44.36
CCC(C)N1N=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769820	0	41	-1.0	-53.37	341.33	3.68	-49.69
CNC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769821	0	41	-1.0	-54.63	351.40	1.37	-53.26
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C1	REAL300017769822	0	35	-1.0	-58.24	335.57	0.36	-57.88
CN(C1CCCCCC1)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769823	0	46	-1.0	-49.62	347.53	4.63	-44.99
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769824	0	36	-1.0	-51.16	321.57	3.74	-47.42
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300017769825	0	46	-1.0	-53.41	379.81	3.00	-50.41
CC(F)(F)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1	REAL300017769826	0	38	-1.0	-52.31	334.34	5.37	-46.94
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300017769827	0	36	-1.0	-51.66	319.45	3.44	-48.22
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300017769828	0	47	-1.0	-50.89	370.74	6.32	-44.57
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)S1	REAL300017769829	0	33	-1.0	-50.97	303.98	2.30	-48.67
CC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300017769830	0	43	-1.0	-60.19	350.12	6.28	-53.91
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300017769831	0	40	-1.0	-50.67	331.07	3.78	-46.89
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300017769832	0	35	-1.0	-48.88	312.87	2.56	-46.32
CCOCC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769833	0	42	-1.0	-51.61	357.11	4.55	-47.06
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769836	0	42	-1.0	-53.17	359.86	5.04	-48.13
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300017769837	0	45	-1.0	-49.26	366.59	4.81	-44.45
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300017769838	0	43	-1.0	-51.46	368.88	6.70	-44.76
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2CF)C1	REAL300017769839	0	35	-1.0	-53.74	300.05	4.92	-48.82
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC(C)=C1Br	REAL300017769840	0	38	-1.0	-49.52	337.90	5.60	-43.92
CCN1N=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1Cl	REAL300017769841	0	35	-1.0	-51.57	321.95	2.76	-48.81
CC1(C(=O)[O-])CC(NS(=O)(=O)C=CC2=CC=CC=C2Br)C1	REAL300017769842	0	36	-1.0	-50.72	330.36	5.56	-45.16
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC1CC(C)(C(=O)[O-])C1)=C2	REAL300017769843	0	38	-1.0	-51.38	365.28	5.08	-46.30
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300017769845	0	34	-1.0	-57.66	313.68	2.81	-54.85
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C1	REAL300017769846	0	37	-1.0	-56.20	336.66	5.05	-51.15
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C1	REAL300017769847	0	37	-1.0	-52.83	333.33	4.87	-47.96
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300017769848	0	41	-1.0	-54.57	338.90	6.75	-47.82
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769849	0	36	-1.0	-58.77	330.99	4.84	-53.93
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCCF)C=C2)C1	REAL300017769850	0	39	-1.0	-51.54	338.11	4.23	-47.31
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017769851	0	46	-1.0	-53.15	384.78	5.38	-47.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300017769852	0	32	-1.0	-55.06	300.16	4.16	-50.90
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)O1	REAL300017769853	0	38	-1.0	-61.36	343.81	0.15	-61.21
CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300017769854	0	42	-1.0	-54.95	354.43	5.30	-49.65
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C1	REAL300017769855	0	38	-1.0	-54.71	351.63	1.24	-53.47
CC1(C(=O)[O-])CC(NS(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300017769856	0	36	-1.0	-51.77	318.51	5.12	-46.65
CC1(C(=O)[O-])CC(NS(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300017769857	0	36	-1.0	-49.98	333.39	5.66	-44.32
CC1(C(=O)[O-])CC(NS(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300017769858	0	36	-1.0	-51.14	333.39	5.67	-45.47
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300017769859	0	36	-1.0	-52.73	324.00	5.16	-47.57
COC(=O)C1CCCCN1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769860	0	43	-1.0	-54.68	343.08	4.50	-50.18
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C1	REAL300017769861	0	54	-1.0	-52.67	409.89	8.04	-44.63
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C1	REAL300017769862	0	35	-1.0	-48.41	325.65	4.67	-43.74
COC1=CC=C(C=C(C)S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769863	0	43	-1.0	-51.71	353.35	4.73	-46.98
COC(=O)C=CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769864	0	42	-1.0	-52.57	366.85	5.75	-46.82
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=NN1	REAL300017769865	0	38	-1.0	-52.33	339.89	1.65	-50.68
COC1=CSC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1OC	REAL300017769866	0	37	-1.0	-51.89	326.49	1.58	-50.31
CC1(C(=O)[O-])CC(NC(=O)N2C[C@H]3CC[C@@](C)(C2)C3(C)C)C1	REAL300017769867	0	49	-1.0	-47.39	344.55	8.92	-38.47
CC1(C(=O)[O-])CC(NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300017769868	0	44	-1.0	-48.59	342.51	4.37	-44.22
CN(CCC1=CC=CC=C1)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769869	0	43	-1.0	-49.55	359.28	5.66	-43.89
CC1(C(=O)[O-])CC(NC(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300017769870	0	43	-1.0	-57.73	355.59	10.65	-47.08
CC1(C(=O)[O-])CC(NC(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300017769871	0	49	-1.0	-45.99	373.72	10.49	-35.50
CC(C)(C)OC(=O)N1CCN(C(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300017769872	0	50	-1.0	-58.37	380.13	6.59	-51.78
CN(C(=O)NC1CC(C)(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300017769873	0	39	-1.0	-56.27	317.90	2.54	-53.73
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769874	0	51	-1.0	-51.47	396.50	7.19	-44.28
COC(=O)C1CN(C(=O)NC2CC(C)(C(=O)[O-])C2)CCO1	REAL300017769875	0	40	-1.0	-57.56	324.15	4.87	-52.69
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769876	0	36	-1.0	-51.38	328.21	4.94	-46.44
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300017769877	0	36	-1.0	-51.59	328.99	4.65	-46.94
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300017769878	0	36	-1.0	-55.85	325.68	3.50	-52.35
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769879	0	38	-1.0	-52.91	324.60	3.79	-49.12
CN1C=CC2=CC(S(=O)(=O)NC3CC(C)(C(=O)[O-])C3)=CC=C21	REAL300017769880	0	39	-1.0	-57.00	333.91	5.63	-51.37
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C1	REAL300017769881	0	35	-1.0	-48.11	309.91	5.39	-42.72
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300017769882	0	41	-1.0	-51.78	359.06	4.34	-47.44
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300017769883	0	29	-1.0	-46.92	305.26	3.95	-42.97
CN1N=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1Cl	REAL300017769884	0	32	-1.0	-50.36	301.62	1.91	-48.45
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769885	0	45	-1.0	-51.40	367.77	6.10	-45.30
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300017769886	0	49	-1.0	-49.83	394.70	6.14	-43.69
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300017769887	0	35	-1.0	-54.91	334.89	5.23	-49.68
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C1	REAL300017769888	0	37	-1.0	-55.66	332.86	4.53	-51.13
COC(=O)[C@@H]1CCCN1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769889	0	40	-1.0	-57.10	333.09	3.60	-53.50
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300017769890	0	43	-1.0	-57.82	370.62	6.77	-51.05
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769891	0	38	-1.0	-54.69	316.59	5.82	-48.87
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C1	REAL300017769892	0	37	-1.0	-59.41	335.06	2.44	-56.97
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300017769893	0	33	-1.0	-53.91	323.15	2.65	-51.26
COCN1N=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769894	0	36	-1.0	-56.91	315.65	-0.02	-56.93
CC1=CC(Cl)=NC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769895	0	34	-1.0	-53.31	307.84	3.27	-50.04
C=C(C)COC1=CC=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769896	0	43	-1.0	-50.52	363.87	5.48	-45.04
CCN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300017769897	0	42	-1.0	-52.83	355.21	4.90	-47.93
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300017769898	0	36	-1.0	-60.98	318.21	3.24	-57.74
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300017769899	0	38	-1.0	-51.45	342.83	6.64	-44.81
CC(=O)OC1CCN(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C1	REAL300017769900	0	40	-1.0	-52.30	339.44	3.01	-49.29
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300017769901	0	42	-1.0	-51.64	371.12	7.79	-43.85
CCC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300017769902	0	38	-1.0	-49.48	339.23	5.73	-43.75
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769903	0	45	-1.0	-50.48	366.96	5.05	-45.43
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300017769904	0	29	-1.0	-48.75	290.44	3.37	-45.38
COCCC1=CC=C(OC)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769905	0	46	-1.0	-54.68	385.07	4.13	-50.55
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300017769906	0	38	-1.0	-51.56	339.04	6.72	-44.84
CN1N=C2CCOCC2=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769907	0	40	-1.0	-49.99	329.17	1.46	-48.53
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300017769908	0	39	-1.0	-49.99	325.31	6.13	-43.86
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC(C)(C)CC2)C1	REAL300017769909	0	43	-1.0	-50.85	329.65	4.18	-46.67
CC(=O)OCC1CCN(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300017769910	0	46	-1.0	-52.84	375.41	4.64	-48.20
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769911	0	46	-1.0	-58.69	390.81	4.61	-54.08
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300017769912	0	42	-1.0	-55.28	340.64	1.90	-53.38
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=N1	REAL300017769913	0	38	-1.0	-49.73	323.70	1.42	-48.31
COC1=NC=C(C)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769914	0	38	-1.0	-51.62	328.01	1.67	-49.95
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300017769915	0	47	-1.0	-52.96	382.07	4.24	-48.72
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769916	0	35	-1.0	-49.66	323.31	1.52	-48.14
COC1=NC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017769917	0	38	-1.0	-49.52	327.52	1.28	-48.24
CC(C)CN1C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=N1	REAL300017769918	0	41	-1.0	-55.12	343.13	4.02	-51.10
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769919	0	41	-1.0	-51.72	329.76	3.06	-48.66
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300017769920	0	31	-1.0	-50.62	303.01	2.14	-48.48
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(C#N)C=CS2)C1	REAL300017769921	0	30	-1.0	-53.32	285.65	2.92	-50.40
CC1(C(=O)[O-])CC(NS(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C1	REAL300017769922	0	36	-1.0	-48.47	343.06	5.99	-42.48
CC(C)N1N=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769923	0	38	-1.0	-47.59	315.69	2.88	-44.71
COC(=O)C1=NC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C	REAL300017769924	0	40	-1.0	-49.69	347.00	3.23	-46.46
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C1	REAL300017769925	0	35	-1.0	-57.41	319.77	5.74	-51.67
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300017769926	0	39	-1.0	-50.43	329.00	4.03	-46.40
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300017769927	0	39	-1.0	-53.61	328.29	4.48	-49.13
COC1=NOC(CS(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769928	0	35	-1.0	-53.79	307.42	0.44	-53.35
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300017769929	0	37	-1.0	-59.43	315.33	4.24	-55.19
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=NN1C(C)C	REAL300017769930	0	41	-1.0	-57.51	343.50	3.65	-53.86
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300017769931	0	39	-1.0	-53.02	340.06	6.06	-46.96
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300017769932	0	34	-1.0	-52.73	309.43	2.98	-49.75
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1	REAL300017769933	0	46	-1.0	-50.55	385.15	7.74	-42.81
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300017769934	0	39	-1.0	-52.46	341.71	6.09	-46.37
CC1(C(=O)[O-])CC(NC(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300017769935	0	39	-1.0	-44.16	312.96	7.19	-36.97
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C1	REAL300017769936	0	36	-1.0	-50.75	330.68	4.30	-46.45
CC1(C(=O)[O-])CC(NC(=O)N2CC=C(Br)CC2)C1	REAL300017769937	0	34	-1.0	-43.34	289.30	6.70	-36.64
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C(F)F)=CC=C2F)C1	REAL300017769938	0	35	-1.0	-55.66	312.26	4.54	-51.12
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769939	0	40	-1.0	-56.61	336.01	-0.40	-57.01
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300017769940	0	39	-1.0	-49.24	311.42	1.98	-47.26
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CCC(C#N)CC2)C1	REAL300017769941	0	38	-1.0	-54.25	313.89	3.16	-51.09
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C1	REAL300017769943	0	39	-1.0	-53.68	336.52	6.23	-47.45
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(Cl)=C1Cl	REAL300017769944	0	35	-1.0	-48.32	327.28	5.47	-42.85
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300017769945	0	36	-1.0	-50.85	324.06	3.41	-47.44
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C1	REAL300017769946	0	39	-1.0	-51.26	343.24	4.71	-46.55
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C(F)F)=C1	REAL300017769947	0	39	-1.0	-49.63	336.84	4.23	-45.40
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769948	0	38	-1.0	-50.04	345.44	1.98	-48.06
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300017769949	0	40	-1.0	-54.52	325.53	5.46	-49.06
CC1(C(=O)[O-])CC(NC(=O)N2CC(OCC3=CC=CC=C3)C2)C1	REAL300017769950	0	44	-1.0	-58.67	363.10	7.04	-51.63
CC(C)(C)OC(=O)NC1CN(C(=O)NC2CC(C)(C(=O)[O-])C2)C1	REAL300017769951	0	47	-1.0	-58.82	373.96	3.86	-54.96
CC(=O)OCC1CCN(C(=O)NC2CC(C)(C(=O)[O-])C2)CC1	REAL300017769952	0	45	-1.0	-48.81	352.71	7.87	-40.94
CC1(C(=O)[O-])CC(NS(=O)(=O)N2CC=C(Br)CC2)C1	REAL300017769953	0	35	-1.0	-49.90	307.69	3.75	-46.15
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769955	0	45	-1.0	-53.79	371.27	5.98	-47.81
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C(Cl)S1	REAL300017769956	0	32	-1.0	-48.09	307.30	4.31	-43.78
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300017769957	0	39	-1.0	-50.82	352.93	4.80	-46.02
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C3CCCCN3N=C2)C1	REAL300017769958	0	39	-1.0	-53.72	320.79	3.52	-50.20
CC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300017769963	0	34	-1.0	-52.24	311.22	3.90	-48.34
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(F)=CC(Cl)=C2)N=C1	REAL300017769964	0	31	-1.0	-50.47	312.95	3.82	-46.65
O=C([O-])C1=CC=C(CNC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C32)N=C1	REAL300017769982	0	45	-1.0	-48.45	389.22	9.62	-38.83
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300017769983	0	36	-1.0	-57.96	344.05	-1.82	-59.78
N#CC1=CC=CC=C1CS(=O)(=O)NCC1=CC=C(C(=O)[O-])C=N1	REAL300017769984	0	35	-1.0	-60.78	332.03	4.16	-56.62
CC1=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)=CC([N+](=O)[O-])=C1C	REAL300017769985	0	39	-1.0	-55.14	354.23	5.07	-50.07
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)=C1C	REAL300017769986	0	39	-1.0	-55.10	349.76	5.33	-49.77
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C3OCCOC3=C2)N=C1	REAL300017769987	0	37	-1.0	-53.91	334.31	2.38	-51.53
O=C([O-])C1=CC=C(CNS(=O)(=O)C=CC2=CC=CC=C2)N=C1	REAL300017769988	0	35	-1.0	-53.56	321.72	4.41	-49.15
CN1C=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)C(=O)N(C)C1=O	REAL300017769989	0	37	-1.0	-60.46	336.39	2.25	-58.21
CC1=NN(C)C(C)=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=N1	REAL300017769990	0	37	-1.0	-53.43	326.51	2.26	-51.17
CC1=NNC(C)=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=N1	REAL300017769991	0	34	-1.0	-52.59	306.03	1.06	-51.53
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C3NC(=O)OC3=C2)N=C1	REAL300017769992	0	34	-1.0	-57.10	321.58	0.73	-56.37
O=C([O-])C1=CC=C(CNS(=O)(=O)CC2=CC=CC=C2)N=C1	REAL300017769993	0	34	-1.0	-57.23	313.57	3.94	-53.29
COC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300017769994	0	35	-1.0	-52.78	319.30	2.53	-50.25
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])N=C1	REAL300017769995	0	33	-1.0	-58.36	307.35	4.71	-53.65
CCOC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300017769996	0	38	-1.0	-52.53	341.16	3.45	-49.08
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C(F)C=C2F)N=C1	REAL300017769997	0	31	-1.0	-50.82	294.49	3.05	-47.77
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C(F)C=C2)N=C1	REAL300017769998	0	31	-1.0	-51.55	296.22	3.29	-48.26
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=CC(F)=C2)N=C1	REAL300017769999	0	31	-1.0	-52.84	296.24	3.29	-49.55
CC1=CC(C)=C(C)C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)=C1C	REAL300017770000	0	43	-1.0	-50.53	350.39	5.79	-44.74
CO[C@@H](CNS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300017787267	0	35	-1.0	-50.15	319.19	3.38	-46.77
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017787268	0	34	-1.0	-48.98	333.24	3.75	-45.23
COC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC(F)=C1F	REAL300017787269	0	35	-1.0	-48.36	334.10	2.68	-45.68
CO[C@@H](CNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300017787270	0	41	-1.0	-50.78	353.09	3.39	-47.39
CO[C@@H](CNS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300017787271	0	47	-1.0	-46.79	355.86	3.63	-43.16
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300017787272	0	37	-1.0	-57.99	321.94	3.62	-54.37
CO[C@@H](CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787273	0	37	-1.0	-59.73	333.49	3.84	-55.89
CO[C@@H](CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300017787274	0	40	-1.0	-51.02	345.87	0.50	-50.52
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787275	0	43	-1.0	-53.91	382.99	3.09	-50.82
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017787276	0	30	-1.0	-46.80	307.40	2.60	-44.20
CO[C@@H](CNS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017787277	0	32	-1.0	-46.65	303.95	3.05	-43.60
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300017787278	0	35	-1.0	-58.62	316.83	2.94	-55.68
CO[C@@H](CNS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300017787279	0	38	-1.0	-50.79	354.96	3.42	-47.37
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1F	REAL300017787280	0	35	-1.0	-55.79	336.63	2.82	-52.97
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787281	0	38	-1.0	-51.70	341.84	2.99	-48.71
CO[C@@H](CNS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017787282	0	35	-1.0	-49.31	326.36	3.76	-45.55
CO[C@@H](CNS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017787283	0	32	-1.0	-49.85	312.34	3.18	-46.67
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300017787284	0	29	-1.0	-45.31	306.52	3.08	-42.23
CO[C@@H](CNS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017787285	0	36	-1.0	-59.87	324.63	-0.61	-60.48
CCCCCCCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787286	0	54	-1.0	-47.88	449.04	6.88	-41.00
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787287	0	44	-1.0	-52.39	378.58	4.30	-48.09
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787288	0	39	-1.0	-48.99	353.89	4.13	-44.86
CO[C@@H](CNS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017787289	0	35	-1.0	-50.16	320.38	3.53	-46.63
CO[C@@H](CNS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300017787290	0	35	-1.0	-52.68	319.53	3.49	-49.19
CO[C@@H](CNS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017787291	0	35	-1.0	-51.56	326.63	3.82	-47.74
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787292	0	33	-1.0	-45.46	316.21	2.45	-43.01
COC1=CC2=C(C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(=O)NCCC2	REAL300017787293	0	44	-1.0	-54.49	365.28	0.87	-53.62
CO[C@@H](CNS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300017787294	0	40	-1.0	-53.99	358.28	2.38	-51.61
CO[C@@H](CNS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300017787295	0	36	-1.0	-50.60	343.06	4.54	-46.06
CO[C@@H](CNS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300017787296	0	33	-1.0	-50.81	317.70	-0.89	-51.70
CO[C@@H](CNS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017787297	0	32	-1.0	-49.47	315.56	3.30	-46.17
CCC(C)OC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787298	0	42	-1.0	-48.92	358.51	3.60	-45.32
CO[C@@H](CNS(=O)(=O)CC(C)CC(F)(F)F)C(=O)[O-]	REAL300017787299	0	34	-1.0	-49.88	303.74	2.18	-47.70
CO[C@@H](CNS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C(=O)[O-]	REAL300017787300	0	36	-1.0	-52.13	334.99	3.77	-48.36
CO[C@@H](CNS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300017787301	0	41	-1.0	-53.69	362.26	1.86	-51.83
COC1=CC(F)=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787302	0	33	-1.0	-47.87	295.64	1.85	-46.02
COC(=O)C1=C(C)C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])O1	REAL300017787303	0	35	-1.0	-51.06	326.15	1.32	-49.74
CCC1=NC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CN1CC1CC1	REAL300017787304	0	42	-1.0	-57.61	367.42	3.89	-53.72
CO[C@@H](CNS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300017787305	0	40	-1.0	-57.69	352.26	2.45	-55.24
CO[C@@H](CNS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300017787306	0	32	-1.0	-48.01	308.45	1.46	-46.55
CO[C@@H](CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300017787307	0	32	-1.0	-59.02	318.18	1.76	-57.26
CCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(C)C	REAL300017787308	0	48	-1.0	-47.92	400.17	5.00	-42.92
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017787309	0	37	-1.0	-48.65	331.63	4.42	-44.23
CO[C@@H](CNS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300017787310	0	36	-1.0	-47.47	315.26	1.83	-45.64
CO[C@@H](CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300017787311	0	42	-1.0	-47.35	370.76	4.14	-43.21
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300017787312	0	43	-1.0	-48.93	386.19	5.31	-43.62
COC(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])C1=CC=C(F)C=C1	REAL300017787313	0	39	-1.0	-48.35	346.28	2.53	-45.82
CO[C@@H](CNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300017787314	0	41	-1.0	-51.85	352.73	3.37	-48.48
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1Cl	REAL300017787315	0	37	-1.0	-50.18	349.70	0.80	-49.38
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=CC=C12	REAL300017787316	0	41	-1.0	-51.96	359.80	4.82	-47.14
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C	REAL300017787317	0	40	-1.0	-54.43	353.19	1.03	-53.40
CO[C@@H](CNS(=O)(=O)CC1(C(F)F)CCCC1)C(=O)[O-]	REAL300017787318	0	38	-1.0	-48.82	318.02	3.14	-45.68
CCOC1(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])CCOCC1	REAL300017787319	0	43	-1.0	-50.00	346.07	0.70	-49.30
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1F	REAL300017787320	0	35	-1.0	-55.77	326.30	2.38	-53.39
CO[C@@H](CNS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300017787321	0	40	-1.0	-62.85	350.97	3.13	-59.72
CO[C@@H](CNS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300017787322	0	32	-1.0	-46.89	310.10	0.56	-46.33
CO[C@@H](CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017787323	0	40	-1.0	-48.29	369.29	6.05	-42.24
CO[C@@H](CNS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300017787324	0	32	-1.0	-47.44	311.28	3.40	-44.04
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300017787325	0	32	-1.0	-49.00	303.38	3.27	-45.73
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787326	0	35	-1.0	-52.43	327.39	3.14	-49.29
CO[C@@H](CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300017787327	0	37	-1.0	-48.64	326.75	-0.30	-48.94
COC1=CC(Br)=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787328	0	33	-1.0	-48.07	319.28	1.87	-46.20
COC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017787329	0	35	-1.0	-48.98	324.23	2.70	-46.28
CO[C@@H](CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300017787330	0	35	-1.0	-49.56	322.26	3.85	-45.71
COCCN1C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=N1	REAL300017787331	0	36	-1.0	-51.59	328.46	-0.43	-52.02
CO[C@@H](CNS(=O)(=O)C1=C(C)N(CC2CC2)N=C1C)C(=O)[O-]	REAL300017787332	0	42	-1.0	-48.09	356.49	3.31	-44.78
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300017787333	0	36	-1.0	-51.65	333.07	2.50	-49.15
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1C	REAL300017787334	0	56	-1.0	-47.39	456.91	6.54	-40.85
CO[C@@H](CNS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300017787335	0	43	-1.0	-49.47	379.78	-0.12	-49.59
CO[C@@H](CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017787336	0	37	-1.0	-53.29	342.19	4.13	-49.16
CO[C@@H](CNS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300017787337	0	29	-1.0	-45.21	295.71	2.62	-42.59
CO[C@@H](CNS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300017787338	0	32	-1.0	-51.93	304.19	2.77	-49.16
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300017787339	0	36	-1.0	-59.58	333.10	-0.20	-59.78
CCN1C(=O)OC2=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C21	REAL300017787340	0	38	-1.0	-55.27	344.64	2.92	-52.35
CO[C@@H](CNS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017787341	0	32	-1.0	-47.31	301.34	3.38	-43.93
COCC1=CC=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787342	0	36	-1.0	-48.72	315.22	2.08	-46.64
COC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1Br	REAL300017787343	0	33	-1.0	-47.21	318.62	1.93	-45.28
CO[C@@H](CNS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017787344	0	32	-1.0	-53.56	326.77	-1.37	-54.93
CO[C@@H](CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300017787345	0	32	-1.0	-54.62	312.66	1.02	-53.60
CO[C@@H](CNS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300017787346	0	40	-1.0	-48.74	346.16	3.20	-45.54
CO[C@@H](CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017787347	0	37	-1.0	-50.90	347.66	-1.27	-52.17
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(OC)=C1	REAL300017787348	0	44	-1.0	-53.86	387.94	-0.71	-54.57
CO[C@@H](CNS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300017787349	0	48	-1.0	-55.75	423.55	2.93	-52.82
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1F	REAL300017787350	0	43	-1.0	-49.91	390.63	0.41	-49.50
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300017787351	0	44	-1.0	-57.00	369.03	2.43	-54.57
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1F	REAL300017787352	0	40	-1.0	-49.94	369.13	-0.38	-50.32
CCC(=O)NCC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1OC	REAL300017787353	0	46	-1.0	-51.62	399.63	1.12	-50.50
CCC1=CC=C(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787354	0	38	-1.0	-50.45	335.36	4.11	-46.34
COC1=CC=C(Br)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787355	0	33	-1.0	-49.79	314.43	2.00	-47.79
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300017787356	0	44	-1.0	-53.07	382.46	2.39	-50.68
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787357	0	38	-1.0	-54.82	350.65	0.36	-54.46
CO[C@@H](CNS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300017787358	0	31	-1.0	-47.05	316.76	1.85	-45.20
CO[C@@H](CNS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300017787359	0	34	-1.0	-47.79	327.79	3.07	-44.72
CO[C@@H](CNS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300017787360	0	34	-1.0	-54.48	312.85	2.49	-51.99
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300017787361	0	30	-1.0	-47.68	310.61	2.95	-44.73
CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1Br	REAL300017787362	0	36	-1.0	-47.25	340.47	2.85	-44.40
CO[C@@H](CNS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017787363	0	43	-1.0	-53.91	385.74	1.38	-52.53
CO[C@@H](CNS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017787364	0	32	-1.0	-53.28	303.09	2.73	-50.55
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787365	0	42	-1.0	-49.83	379.62	3.56	-46.27
CO[C@@H](CNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300017787366	0	29	-1.0	-45.21	299.47	3.36	-41.85
COC1=C(C)C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C	REAL300017787367	0	39	-1.0	-48.86	342.07	2.83	-46.03
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300017787368	0	45	-1.0	-47.89	380.62	4.28	-43.61
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300017787369	0	43	-1.0	-47.94	363.36	4.17	-43.77
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300017787370	0	42	-1.0	-47.98	361.65	3.68	-44.30
CCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787371	0	39	-1.0	-48.03	341.55	2.98	-45.05
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1Cl	REAL300017787372	0	33	-1.0	-47.58	314.23	1.81	-45.77
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017787373	0	33	-1.0	-49.06	323.98	2.08	-46.98
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C	REAL300017787374	0	36	-1.0	-48.59	318.05	1.99	-46.60
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300017787375	0	42	-1.0	-48.25	357.84	3.54	-44.71
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(C)=C1	REAL300017787376	0	36	-1.0	-49.21	312.89	2.16	-47.05
COCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787377	0	40	-1.0	-49.91	353.68	1.45	-48.46
COCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C	REAL300017787378	0	43	-1.0	-49.88	373.53	2.18	-47.70
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787379	0	40	-1.0	-53.69	359.24	1.61	-52.08
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300017787380	0	44	-1.0	-49.36	374.81	1.46	-47.90
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017787381	0	39	-1.0	-54.85	341.04	1.77	-53.08
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300017787382	0	32	-1.0	-48.45	306.60	3.36	-45.09
CO[C@@H](CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300017787383	0	35	-1.0	-56.65	331.09	-0.47	-57.12
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787384	0	35	-1.0	-51.27	329.26	3.96	-47.31
CO[C@@H](CNS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300017787385	0	30	-1.0	-46.36	304.92	2.76	-43.60
CO[C@@H](CNS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300017787386	0	32	-1.0	-46.81	304.49	3.46	-43.35
CO[C@@H](CNS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300017787387	0	37	-1.0	-52.33	317.99	4.84	-47.49
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787388	0	35	-1.0	-50.68	325.10	2.66	-48.02
CO[C@@H](CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300017787389	0	38	-1.0	-55.29	344.12	0.39	-54.90
CO[C@@H](CNS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300017787390	0	33	-1.0	-47.57	314.20	3.94	-43.63
CO[C@@H](CNS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300017787391	0	30	-1.0	-46.43	304.94	2.76	-43.67
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787392	0	45	-1.0	-50.81	379.45	3.68	-47.13
CO[C@@H](CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300017787393	0	41	-1.0	-52.64	377.50	-0.21	-52.85
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787394	0	37	-1.0	-53.34	345.31	-1.88	-55.22
CO[C@@H](CNS(=O)(=O)C1=CC=C(CCNC(C)=O)S1)C(=O)[O-]	REAL300017787395	0	39	-1.0	-56.46	364.82	0.88	-55.58
COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])O1	REAL300017787396	0	32	-1.0	-50.88	308.03	0.73	-50.15
CO[C@@H](CNS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787397	1	31	-1.0	-59.25	290.50	3.33	-55.92
CO[C@@H](CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300017787398	0	32	-1.0	-48.87	325.93	3.68	-45.19
CCOC(=O)C1=C(C)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C(C)N1	REAL300017787399	0	42	-1.0	-48.04	364.47	2.62	-45.42
CO[C@@H](CNS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017787400	0	29	-1.0	-51.88	288.36	2.88	-49.00
CO[C@@H](CNS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300017787401	0	35	-1.0	-50.26	348.16	2.51	-47.75
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300017787402	0	49	-1.0	-47.86	403.29	5.57	-42.29
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017787403	0	39	-1.0	-51.95	365.75	1.52	-50.43
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787404	0	38	-1.0	-54.92	338.12	3.51	-51.41
CO[C@@H](CNS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787405	0	31	-1.0	-48.77	302.67	3.95	-44.82
COC1=CC(F)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1OC	REAL300017787406	0	37	-1.0	-51.13	325.66	0.91	-50.22
COC1=CC(C)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1OC	REAL300017787407	0	40	-1.0	-51.47	342.09	2.06	-49.41
CO[C@@H](CNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787408	1	31	-1.0	-47.06	318.35	4.66	-42.40
CO[C@@H](CNS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300017787409	0	37	-1.0	-56.61	322.28	3.72	-52.89
CO[C@@H](CNS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300017787410	0	32	-1.0	-56.11	308.23	2.86	-53.25
CO[C@@H](CNS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300017787411	0	34	-1.0	-51.94	310.66	-1.89	-53.83
CO[C@@H](CNS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300017787412	0	32	-1.0	-46.85	299.93	3.35	-43.50
CCOC(=O)C1CCCN1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787413	0	40	-1.0	-53.66	344.33	2.70	-50.96
CNC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CN1C	REAL300017787414	0	37	-1.0	-51.85	332.37	-0.41	-52.26
COC1=CC(C)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(C)=C1	REAL300017787415	0	39	-1.0	-48.61	324.27	2.73	-45.88
CO[C@@H](CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300017787416	0	37	-1.0	-52.13	330.18	1.19	-50.94
COC(=O)C1=CC=C(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787417	0	38	-1.0	-53.03	347.28	3.33	-49.70
COC(=O)C1CCN(S(=O)(=O)NC[C@H](OC)C(=O)[O-])CC1	REAL300017787418	0	40	-1.0	-51.82	339.57	1.67	-50.15
CO[C@@H](CNS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300017787419	0	40	-1.0	-50.13	343.97	2.07	-48.06
COC(=O)C1=CC=CC(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787420	0	38	-1.0	-57.11	347.28	3.32	-53.79
CCOC(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])O1	REAL300017787421	0	35	-1.0	-50.90	329.90	1.66	-49.24
COC(=O)CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787422	0	42	-1.0	-52.35	375.51	3.03	-49.32
COC1=CC(C)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C	REAL300017787423	0	39	-1.0	-49.96	332.94	2.89	-47.07
CO[C@@H](CNS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300017787424	0	33	-1.0	-59.61	307.08	2.32	-57.29
CO[C@@H](CNS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017787425	0	32	-1.0	-50.46	306.48	4.09	-46.37
CO[C@@H](CNS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787426	0	31	-1.0	-48.61	307.23	4.06	-44.55
CO[C@@H](CNS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787427	0	34	-1.0	-53.02	301.89	4.31	-48.71
CO[C@@H](CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300017787428	0	31	-1.0	-45.40	313.41	3.37	-42.03
CO[C@@H](CNS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017787429	0	26	-1.0	-47.73	276.86	1.37	-46.36
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300017787430	0	33	-1.0	-50.16	306.54	2.31	-47.85
CO[C@@H](CNS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300017787431	0	37	-1.0	-50.81	314.66	3.14	-47.67
CO[C@@H](CNS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300017787432	0	31	-1.0	-50.56	304.18	1.31	-49.25
CO[C@@H](CNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300017787433	0	37	-1.0	-54.25	326.76	0.89	-53.36
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017787434	0	28	-1.0	-47.95	286.92	0.73	-47.22
CO[C@@H](CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300017787435	0	31	-1.0	-49.93	295.20	2.37	-47.56
CO[C@@H](CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017787436	0	31	-1.0	-48.22	313.13	3.07	-45.15
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787437	0	38	-1.0	-53.84	348.57	0.45	-53.39
CCN1C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017787438	0	34	-1.0	-53.16	318.83	2.84	-50.32
CO[C@@H](CNS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787439	0	31	-1.0	-52.87	301.67	3.28	-49.59
CO[C@@H](CNS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017787440	0	31	-1.0	-45.33	303.11	2.68	-42.65
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300017787441	0	36	-1.0	-48.92	339.62	2.64	-46.28
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787442	0	31	-1.0	-49.86	307.23	4.06	-45.80
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017787443	0	43	-1.0	-49.38	379.97	5.23	-44.15
CO[C@@H](CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017787444	0	37	-1.0	-54.82	340.50	-1.59	-56.41
CCC(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787445	0	37	-1.0	-53.14	331.57	3.21	-49.93
CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](OC)C(=O)[O-])CC1	REAL300017787446	0	42	-1.0	-48.95	354.10	0.70	-48.25
COC1=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017787447	0	38	-1.0	-51.07	347.55	3.18	-47.89
CO[C@@H](CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017787448	0	39	-1.0	-53.29	354.70	3.52	-49.77
CO[C@@H](CNS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300017787449	0	51	-1.0	-47.68	403.12	4.79	-42.89
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787450	0	35	-1.0	-52.09	339.90	3.37	-48.72
CO[C@@H](CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017787451	0	37	-1.0	-56.45	342.05	-1.35	-57.80
CO[C@@H](CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300017787452	0	44	-1.0	-52.73	390.64	1.09	-51.64
CO[C@@H](CNS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017787453	0	35	-1.0	-55.25	333.80	-0.50	-55.75
COC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1Br	REAL300017787454	0	35	-1.0	-47.53	339.77	3.08	-44.45
CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C2=CC=CC=C12	REAL300017787455	0	42	-1.0	-51.30	359.89	4.59	-46.71
CCOC1=CC=C(C)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787456	0	39	-1.0	-51.29	332.51	3.37	-47.92
CO[C@@H](CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300017787457	0	34	-1.0	-55.97	317.00	2.13	-53.84
CO[C@@H](CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017787458	0	36	-1.0	-52.84	329.27	3.07	-49.77
CO[C@@H](CNS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017787459	0	31	-1.0	-52.27	313.10	3.08	-49.19
CO[C@@H](CNS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300017787460	0	30	-1.0	-62.22	280.16	1.74	-60.48
CCOCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787461	0	43	-1.0	-49.96	375.53	2.42	-47.54
CCCCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787462	0	45	-1.0	-47.94	384.55	4.54	-43.40
CO[C@@H](CNS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787463	0	31	-1.0	-58.10	298.59	3.85	-54.25
COC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1F	REAL300017787464	0	35	-1.0	-48.82	328.04	2.63	-46.19
COC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C(Cl)C=C1Cl	REAL300017787465	0	35	-1.0	-46.77	337.45	3.04	-43.73
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787466	0	39	-1.0	-51.54	343.90	2.43	-49.11
COC(=O)CC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])S1	REAL300017787467	0	35	-1.0	-53.48	338.09	2.56	-50.92
COC(=O)C1=CSC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787468	0	32	-1.0	-48.64	316.54	1.61	-47.03
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787469	0	41	-1.0	-54.62	355.12	4.03	-50.59
COC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1Cl	REAL300017787470	0	35	-1.0	-47.75	336.03	3.00	-44.75
COC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1C	REAL300017787471	0	38	-1.0	-50.73	339.53	3.14	-47.59
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787472	0	35	-1.0	-51.96	321.71	2.35	-49.61
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300017787473	0	39	-1.0	-49.49	324.38	4.64	-44.85
CO[C@@H](CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017787474	0	35	-1.0	-50.39	317.17	3.77	-46.62
CO[C@@H](CNS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300017787475	0	28	-1.0	-46.48	285.04	0.75	-45.73
CO[C@@H](CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300017787476	0	33	-1.0	-47.77	325.09	3.42	-44.35
CO[C@@H](CNS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300017787477	0	34	-1.0	-48.36	304.69	1.25	-47.11
CO[C@@H](CNS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300017787478	0	34	-1.0	-50.80	319.16	-2.59	-53.39
CO[C@@H](CNS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300017787479	0	43	-1.0	-49.55	381.48	3.89	-45.66
COC(=O)CC1(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])CC1	REAL300017787480	0	38	-1.0	-50.70	333.64	2.48	-48.22
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787481	0	34	-1.0	-49.71	325.62	2.09	-47.62
CO[C@@H](CNS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300017787482	0	32	-1.0	-49.33	293.73	2.40	-46.93
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787483	0	36	-1.0	-48.15	328.70	2.96	-45.19
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300017787484	0	41	-1.0	-50.45	359.43	3.48	-46.97
CCCCCCN1C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(=O)NC1=O	REAL300017787485	0	47	-1.0	-61.39	399.62	2.54	-58.85
CO[C@@H](CNS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300017787486	0	39	-1.0	-50.04	352.31	3.82	-46.22
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])S1	REAL300017787487	0	36	-1.0	-50.47	342.28	0.89	-49.58
CCS(=O)(=O)NCCS(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787488	0	36	-1.0	-55.48	332.34	-3.30	-58.78
CO[C@@H](CNS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300017787489	0	32	-1.0	-48.81	293.69	2.41	-46.40
CO[C@@H](CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300017787490	0	34	-1.0	-46.93	314.66	3.19	-43.74
CO[C@@H](CNS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017787491	0	26	-1.0	-49.10	272.87	0.67	-48.43
CO[C@@H](CNS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017787492	0	35	-1.0	-50.59	322.46	3.23	-47.36
CO[C@@H](CNS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017787493	0	26	-1.0	-44.78	285.59	1.77	-43.01
CO[C@@H](CNS(=O)(=O)C1=CC2=CC(F)=CC=C2S1)C(=O)[O-]	REAL300017787494	0	32	-1.0	-48.62	314.04	3.45	-45.17
CO[C@@H](CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300017787495	0	32	-1.0	-48.52	324.35	3.89	-44.63
CO[C@@H](CNS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017787496	0	35	-1.0	-46.28	330.43	4.64	-41.64
CO[C@@H](CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017787497	0	32	-1.0	-51.64	311.51	3.35	-48.29
CO[C@@H](CNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300017787498	0	35	-1.0	-51.60	315.16	4.76	-46.84
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017787499	0	35	-1.0	-51.67	326.18	4.81	-46.86
CO[C@@H](CNS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017787500	0	40	-1.0	-50.23	373.18	0.90	-49.33
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CN1C	REAL300017787501	0	39	-1.0	-50.73	351.52	2.97	-47.76
CCOC(=O)C1CC2=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C2O1	REAL300017787502	0	43	-1.0	-50.63	381.98	4.17	-46.46
CO[C@@H](CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017787503	0	35	-1.0	-52.07	333.80	-0.50	-52.57
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300017787504	0	38	-1.0	-57.34	357.88	1.89	-55.45
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300017787505	0	42	-1.0	-53.97	375.26	3.48	-50.49
CO[C@@H](CNS(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1)C(=O)[O-]	REAL300017787506	0	35	-1.0	-50.35	324.33	3.83	-46.52
CO[C@@H](CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300017787507	0	40	-1.0	-55.08	368.71	-0.98	-56.06
CO[C@@H](CNS(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017787508	1	30	-1.0	-48.81	298.01	2.63	-46.18
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300017787509	0	40	-1.0	-49.20	343.33	2.61	-46.59
CO[C@@H](CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300017787510	0	34	-1.0	-50.83	323.87	3.88	-46.95
CO[C@@H](CNS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300017787511	0	33	-1.0	-47.13	323.91	3.43	-43.70
CO[C@@H](CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300017787512	0	32	-1.0	-69.37	298.80	2.11	-67.26
CO[C@@H](CNS(=O)(=O)CCC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017787513	0	41	-1.0	-52.38	369.79	4.45	-47.93
CO[C@@H](CNS(=O)(=O)C1=CC(N(C)C)=CC=C1Br)C(=O)[O-]	REAL300017787514	0	37	-1.0	-49.69	337.66	3.12	-46.57
CO[C@@H](CNS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300017787515	0	34	-1.0	-49.65	328.05	1.80	-47.85
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787516	0	35	-1.0	-49.62	329.60	3.97	-45.65
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787517	0	41	-1.0	-48.10	342.32	2.42	-45.68
CCC1=NOC2=NC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C12	REAL300017787518	0	36	-1.0	-48.23	329.73	-0.34	-48.57
CO[C@@H](CNS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017787519	0	34	-1.0	-51.92	321.75	3.28	-48.64
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300017787520	0	35	-1.0	-48.58	335.91	4.83	-43.75
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787521	0	35	-1.0	-49.61	319.28	3.53	-46.08
CO[C@@H](CNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300017787522	0	32	-1.0	-65.25	305.93	1.81	-63.44
CO[C@@H](CNS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300017787523	0	32	-1.0	-49.65	325.91	3.73	-45.92
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787524	1	44	-1.0	-50.82	387.58	-0.84	-51.66
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300017787525	0	37	-1.0	-62.75	340.90	0.08	-62.67
CO[C@@H](CNS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017787526	0	28	-1.0	-45.36	282.68	0.65	-44.71
COC(=O)C1CCCCC1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787527	0	41	-1.0	-52.26	334.80	3.44	-48.82
COC(=O)C1(C2=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C2)CC1	REAL300017787528	0	42	-1.0	-52.03	367.05	4.58	-47.45
CO[C@@H](CNS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300017787529	0	36	-1.0	-58.12	314.27	1.97	-56.15
CO[C@@H](CNS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300017787530	0	33	-1.0	-56.11	327.58	3.41	-52.70
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300017787531	0	35	-1.0	-47.25	337.32	0.04	-47.21
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787532	0	33	-1.0	-45.54	316.22	2.45	-43.09
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300017787533	0	38	-1.0	-56.25	335.11	5.72	-50.53
CCC1=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C(C(=O)OC)O1	REAL300017787534	0	38	-1.0	-51.16	347.57	2.29	-48.87
CO[C@@H](CNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300017787535	0	46	-1.0	-59.98	382.91	3.70	-56.28
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(C)=C1F	REAL300017787536	0	36	-1.0	-48.86	317.88	2.20	-46.66
CO[C@@H](CNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017787537	0	49	-1.0	-57.31	392.82	3.70	-53.61
CO[C@@H](CNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017787538	0	43	-1.0	-53.24	362.10	2.21	-51.03
CO[C@@H](CNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300017787539	0	40	-1.0	-54.93	367.26	2.74	-52.19
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787540	0	37	-1.0	-48.71	340.96	4.12	-44.59
CO[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300017787541	0	39	-1.0	-52.98	323.72	2.85	-50.13
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300017787542	0	38	-1.0	-50.17	329.83	3.41	-46.76
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300017787543	0	44	-1.0	-52.28	383.74	3.34	-48.94
CO[C@@H](CNS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300017787544	0	32	-1.0	-51.87	307.78	0.81	-51.06
COC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1F	REAL300017787545	0	33	-1.0	-47.61	304.43	1.33	-46.28
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787546	0	40	-1.0	-50.31	346.27	1.97	-48.34
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787547	0	43	-1.0	-48.89	371.27	2.97	-45.92
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300017787548	0	38	-1.0	-49.51	322.40	4.04	-45.47
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300017787549	0	43	-1.0	-50.50	375.64	5.34	-45.16
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300017787550	0	29	-1.0	-46.36	303.09	2.78	-43.58
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C2O1	REAL300017787551	0	44	-1.0	-49.98	392.19	4.62	-45.36
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787552	0	41	-1.0	-54.78	359.99	4.43	-50.35
CO[C@@H](CNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017787553	0	29	-1.0	-50.28	292.36	2.54	-47.74
CO[C@@H](CNS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300017787554	0	29	-1.0	-47.13	297.47	2.16	-44.97
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(F)=C1	REAL300017787555	0	33	-1.0	-52.97	296.46	1.00	-51.97
CO[C@@H](CNS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787556	0	37	-1.0	-61.24	323.38	4.89	-56.35
CO[C@@H](CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300017787557	0	35	-1.0	-49.78	329.68	3.74	-46.04
CO[C@@H](CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017787558	0	39	-1.0	-45.98	354.50	4.90	-41.08
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787559	0	37	-1.0	-50.58	335.66	0.16	-50.42
CO[C@@H](CNS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300017787560	0	37	-1.0	-49.83	320.24	2.35	-47.48
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300017787561	0	35	-1.0	-49.36	314.44	2.47	-46.89
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017787563	0	32	-1.0	-48.92	300.67	2.81	-46.11
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017787564	0	32	-1.0	-45.28	324.17	3.47	-41.81
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017787565	0	32	-1.0	-49.52	305.72	2.70	-46.82
CO[C@@H](CNS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300017787566	0	32	-1.0	-48.59	311.41	3.23	-45.36
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787567	0	40	-1.0	-51.75	348.72	1.13	-50.62
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300017787568	0	33	-1.0	-51.23	293.00	2.12	-49.11
CO[C@@H](CNS(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1)C(=O)[O-]	REAL300017787569	0	36	-1.0	-53.10	342.98	1.61	-51.49
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017787570	0	40	-1.0	-64.51	346.60	1.96	-62.55
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017787571	0	41	-1.0	-49.94	323.26	1.08	-48.86
CO[C@@H](CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300017787572	0	35	-1.0	-49.55	349.17	0.08	-49.47
COC1=C(F)C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017787573	0	35	-1.0	-46.61	332.19	2.78	-43.83
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017787574	0	39	-1.0	-50.94	358.42	1.20	-49.74
CO[C@@H](CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017787575	0	40	-1.0	-54.64	367.62	3.77	-50.87
COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(OC)=C1	REAL300017787576	0	39	-1.0	-50.99	343.93	2.44	-48.55
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300017787577	0	32	-1.0	-47.30	311.28	3.41	-43.89
CO[C@@H](CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017787578	0	37	-1.0	-53.09	327.63	4.03	-49.06
CO[C@@H](CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017787579	0	37	-1.0	-55.72	332.36	3.21	-52.51
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787580	0	45	-1.0	-59.58	405.15	0.63	-58.95
CO[C@@H](CNS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017787581	0	35	-1.0	-55.46	312.44	-1.61	-57.07
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017787582	0	39	-1.0	-53.43	348.96	2.87	-50.56
CO[C@@H](CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017787583	0	34	-1.0	-51.57	316.97	2.13	-49.44
COC1=CC(F)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(F)=C1	REAL300017787584	0	33	-1.0	-49.89	306.69	1.53	-48.36
CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(C)=C1	REAL300017787585	0	39	-1.0	-48.99	334.77	3.09	-45.90
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787586	0	37	-1.0	-57.23	345.11	-1.89	-59.12
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787587	0	38	-1.0	-53.10	340.60	3.66	-49.44
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017787588	0	33	-1.0	-48.86	298.99	2.05	-46.81
CO[C@@H](CNS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300017787589	0	33	-1.0	-48.11	308.90	2.98	-45.13
CCCOC(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787590	0	41	-1.0	-48.11	366.83	4.34	-43.77
CO[C@@H](CNS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300017787591	0	35	-1.0	-49.53	329.40	1.86	-47.67
CCC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787592	0	39	-1.0	-52.76	345.14	1.65	-51.11
CO[C@@H](CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017787593	0	35	-1.0	-52.08	331.20	3.66	-48.42
CCN(CC1=CC=CC=C1)S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787594	0	40	-1.0	-48.91	337.54	3.77	-45.14
CO[C@@H](CNS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017787595	0	28	-1.0	-50.79	282.39	0.56	-50.23
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017787596	0	35	-1.0	-50.66	303.22	1.52	-49.14
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300017787597	0	34	-1.0	-51.02	304.61	2.40	-48.62
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017787598	0	41	-1.0	-51.70	362.43	3.94	-47.76
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017787599	0	29	-1.0	-48.77	288.06	2.32	-46.45
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017787600	0	35	-1.0	-50.10	322.91	3.47	-46.63
CO[C@@H](CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017787601	0	35	-1.0	-52.93	341.55	2.69	-50.24
CO[C@@H](CNS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300017787602	0	37	-1.0	-51.61	334.80	1.67	-49.94
CO[C@@H](CNS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017787603	0	32	-1.0	-51.60	319.08	3.33	-48.27
CO[C@@H](CNS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300017787604	0	33	-1.0	-48.74	308.24	-1.08	-49.82
CO[C@@H](CNS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017787605	0	38	-1.0	-49.99	350.24	4.80	-45.19
COCC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787606	0	36	-1.0	-49.48	323.55	1.66	-47.82
CO[C@@H](CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017787607	0	31	-1.0	-49.22	313.18	3.36	-45.86
COC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C(C(=O)OC)S1	REAL300017787608	0	38	-1.0	-52.77	363.93	3.18	-49.59
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787609	0	35	-1.0	-51.62	318.93	3.51	-48.11
CO[C@@H](CNS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017787610	0	32	-1.0	-50.01	306.05	3.11	-46.90
CO[C@@H](CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017787611	0	41	-1.0	-64.48	365.31	0.47	-64.01
CO[C@@H](CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017787612	0	36	-1.0	-49.19	338.25	2.46	-46.73
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017787613	0	29	-1.0	-47.37	291.45	2.63	-44.74
COC1=CC(OC)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1Br	REAL300017787614	0	37	-1.0	-48.12	338.87	1.75	-46.37
CO[C@@H](CNS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017787615	0	37	-1.0	-51.13	337.84	-0.57	-51.70
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1F	REAL300017787651	0	38	-1.0	-50.97	349.92	3.56	-47.41
CO[C@@H](CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017787652	0	37	-1.0	-51.76	330.58	2.61	-49.15
CO[C@@H](CNS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017787653	0	29	-1.0	-47.63	276.56	2.07	-45.56
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787654	0	48	-1.0	-62.44	398.89	5.39	-57.05
CO[C@@H](CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017787655	0	32	-1.0	-50.80	319.52	3.56	-47.24
CO[C@@H](CNS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017787656	0	30	-1.0	-49.85	291.08	2.39	-47.46
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300017787657	0	36	-1.0	-56.30	337.72	1.25	-55.05
CO[C@@H](CNS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017787658	0	37	-1.0	-49.21	325.56	2.56	-46.65
COC1=CC(Cl)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1Cl	REAL300017787659	0	33	-1.0	-47.38	315.86	1.86	-45.52
CCC1=CC=CC(CC)=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787660	0	41	-1.0	-47.83	325.81	5.15	-42.68
CO[C@@H](CNS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300017787661	0	41	-1.0	-52.95	356.19	0.94	-52.01
COC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CS1	REAL300017787662	0	32	-1.0	-48.87	315.76	1.61	-47.26
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787663	0	38	-1.0	-51.72	351.79	4.46	-47.26
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017787664	0	40	-1.0	-49.11	374.14	5.31	-43.80
CO[C@@H](CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017787665	0	35	-1.0	-49.86	334.91	2.61	-47.25
CO[C@@H](CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017787666	0	35	-1.0	-52.67	351.87	3.14	-49.53
COC(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1C	REAL300017787667	0	38	-1.0	-50.46	333.25	3.29	-47.17
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017787668	0	31	-1.0	-44.88	318.00	3.24	-41.64
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787669	0	33	-1.0	-46.08	324.37	2.58	-43.50
CO[C@@H](CNS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300017787670	0	41	-1.0	-48.22	347.66	2.55	-45.67
CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])CC1	REAL300017787671	0	43	-1.0	-48.96	362.63	1.84	-47.12
CO[C@@H](CNS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300017787672	0	38	-1.0	-51.89	345.09	1.01	-50.88
CO[C@@H](CNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017787673	0	28	-1.0	-45.22	295.80	1.03	-44.19
CO[C@@H](CNS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300017787674	0	32	-1.0	-48.46	294.53	0.60	-47.86
CO[C@@H](CNS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017787675	0	37	-1.0	-49.19	322.18	2.57	-46.62
COC1=CC=C(Cl)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787676	0	33	-1.0	-50.44	299.64	1.30	-49.14
COC(=O)C1=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C2=CC=CC=C2S1	REAL300017787677	0	38	-1.0	-52.41	348.54	4.95	-47.46
COC(=O)CC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787678	0	38	-1.0	-53.37	345.65	3.40	-49.97
CO[C@@H](CNS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300017787679	0	39	-1.0	-50.13	350.46	3.73	-46.40
CO[C@@H](CNS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017787680	0	47	-1.0	-53.77	408.99	4.08	-49.69
CO[C@@H](CNS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017787681	0	47	-1.0	-58.03	402.37	3.76	-54.27
CO[C@@H](CNS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017787682	0	44	-1.0	-51.99	392.07	3.18	-48.81
CO[C@@H](CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300017787683	0	31	-1.0	-46.33	306.62	2.28	-44.05
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017787684	0	40	-1.0	-59.62	349.23	3.07	-56.55
CO[C@@H](CNS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017787685	0	29	-1.0	-47.58	299.77	3.13	-44.45
CO[C@@H](CNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017787686	0	29	-1.0	-45.08	304.84	3.03	-42.05
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787687	0	39	-1.0	-52.02	332.28	3.71	-48.31
COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1F	REAL300017787688	0	35	-1.0	-48.72	328.02	2.64	-46.08
COC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787689	0	33	-1.0	-48.03	305.96	2.30	-45.73
COC1=CC=C(C)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787690	0	36	-1.0	-51.82	312.88	2.16	-49.66
CO[C@@H](CNS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017787691	0	30	-1.0	-46.22	309.21	2.85	-43.37
COC1=CC(C)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1Cl	REAL300017787692	0	36	-1.0	-50.38	328.90	2.71	-47.67
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])S1	REAL300017787693	0	35	-1.0	-46.20	342.63	2.60	-43.60
CO[C@@H](CNS(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1)C(=O)[O-]	REAL300017787694	0	36	-1.0	-53.11	329.88	0.98	-52.13
COC1=CC(Cl)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1OC	REAL300017787695	0	37	-1.0	-49.82	329.05	1.21	-48.61
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017787696	0	33	-1.0	-49.14	314.18	1.60	-47.54
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017787697	0	32	-1.0	-48.14	313.04	3.01	-45.13
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C	REAL300017787698	0	40	-1.0	-53.99	360.35	-1.09	-55.08
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C2S1	REAL300017787699	0	41	-1.0	-49.03	383.34	5.00	-44.03
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(Br)=C1	REAL300017787700	0	33	-1.0	-48.15	314.65	1.99	-46.16
CO[C@@H](CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017787701	0	34	-1.0	-59.00	325.50	-2.43	-61.43
CO[C@@H](CNS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300017787702	0	35	-1.0	-50.26	309.42	1.52	-48.74
CO[C@@H](CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300017787703	0	35	-1.0	-47.82	335.74	3.09	-44.73
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787704	0	35	-1.0	-50.07	318.98	3.05	-47.02
CO[C@@H](CNS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017787705	0	29	-1.0	-48.18	287.10	2.51	-45.67
CO[C@@H](CNS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300017787706	0	35	-1.0	-45.73	301.22	3.51	-42.22
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017787707	0	29	-1.0	-46.95	301.69	3.22	-43.73
COC1=CC2=C(C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-])OCC(=O)N2	REAL300017787708	0	39	-1.0	-50.59	339.90	-0.99	-51.58
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017787709	0	30	-1.0	-55.40	287.06	0.34	-55.06
CO[C@@H](CNS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017787710	0	29	-1.0	-53.39	287.41	2.31	-51.08
COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1OC	REAL300017787711	0	39	-1.0	-50.36	350.78	2.67	-47.69
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017787712	0	33	-1.0	-55.16	319.74	-0.77	-55.93
CCOC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787713	0	36	-1.0	-49.00	319.84	2.17	-46.83
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300017787714	0	40	-1.0	-53.17	332.20	2.98	-50.19
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300017787715	0	33	-1.0	-50.62	325.38	3.14	-47.48
CO[C@@H](CNS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300017787755	0	30	-1.0	-60.61	289.66	2.11	-58.50
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(=O)N(C)C	REAL300017787756	0	43	-1.0	-52.64	370.55	1.71	-50.93
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017787757	0	37	-1.0	-47.61	342.49	3.07	-44.54
CO[C@@H](CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017787758	0	34	-1.0	-47.38	312.71	3.13	-44.25
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017787759	0	43	-1.0	-49.19	383.41	4.56	-44.63
CO[C@@H](CNS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300017787760	0	32	-1.0	-48.60	306.59	3.37	-45.23
COC(=O)C1=COC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787761	0	32	-1.0	-51.14	308.60	0.69	-50.45
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=N1	REAL300017787762	0	40	-1.0	-56.12	356.23	2.70	-53.42
CO[C@@H](CNS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300017787763	0	31	-1.0	-49.35	300.71	1.44	-47.91
CO[C@@H](CNS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300017787764	0	39	-1.0	-55.59	346.73	2.60	-52.99
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017787765	0	39	-1.0	-60.81	343.59	1.75	-59.06
CO[C@@H](CNS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300017787766	0	34	-1.0	-53.00	315.82	2.02	-50.98
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2)C(=O)[O-]	REAL300017787767	0	35	-1.0	-51.06	315.32	-0.49	-51.55
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300017787768	0	41	-1.0	-50.37	342.94	2.51	-47.86
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300017787769	0	31	-1.0	-48.86	303.45	1.18	-47.68
CO[C@@H](CNS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300017787770	0	32	-1.0	-51.00	291.79	2.67	-48.33
COC1=CC=CC(OC)=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787771	0	37	-1.0	-54.93	322.69	2.47	-52.46
CO[C@@H](CNS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017787772	0	31	-1.0	-46.00	299.14	1.16	-44.84
CO[C@@H](CNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300017787773	0	35	-1.0	-51.19	320.11	1.01	-50.18
CO[C@@H](CNS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017787774	0	28	-1.0	-51.70	289.88	1.71	-49.99
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017787775	0	38	-1.0	-49.14	341.48	3.59	-45.55
COC1=CC(OC)=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787776	0	37	-1.0	-51.34	327.69	0.56	-50.78
CO[C@@H](CNS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300017787777	0	30	-1.0	-49.19	291.16	2.39	-46.80
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300017787778	0	35	-1.0	-53.98	316.76	3.29	-50.69
CO[C@@H](CNS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017787779	0	37	-1.0	-58.66	322.52	3.76	-54.90
CCC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1CC	REAL300017787780	0	41	-1.0	-48.74	345.77	4.52	-44.22
CO[C@@H](CNS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300017787781	0	37	-1.0	-45.40	319.63	3.97	-41.43
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300017787782	0	32	-1.0	-51.83	289.11	2.59	-49.24
COC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C(C)O1	REAL300017787783	0	35	-1.0	-51.87	328.34	1.47	-50.40
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300017787784	0	30	-1.0	-47.67	290.89	-0.17	-47.84
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300017787785	0	35	-1.0	-51.59	299.72	3.17	-48.42
COC(=O)C1=NSC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787786	0	31	-1.0	-50.96	301.11	0.81	-50.15
COC(=O)C1=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])SC=N1	REAL300017787787	1	31	-1.0	-51.60	298.53	0.07	-51.53
CO[C@@H](CNS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300017787788	0	35	-1.0	-46.79	315.52	3.28	-43.51
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300017787789	0	37	-1.0	-55.06	328.29	0.41	-54.65
CO[C@@H](CNS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-]	REAL300017787790	0	40	-1.0	-48.63	332.75	0.02	-48.61
COC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CN1C	REAL300017787791	0	36	-1.0	-51.11	329.65	2.04	-49.07
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300017787792	0	40	-1.0	-48.66	351.33	3.79	-44.87
CO[C@@H](CNS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017787793	0	32	-1.0	-51.21	314.50	3.21	-48.00
CO[C@@H](CNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017787794	0	32	-1.0	-50.90	315.07	3.23	-47.67
CO[C@@H](CNS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017787795	0	29	-1.0	-51.99	284.78	2.74	-49.25
COC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CN=C1Cl	REAL300017787796	0	32	-1.0	-46.11	309.56	-0.07	-46.18
CO[C@@H](CNS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300017787797	0	33	-1.0	-53.23	318.61	3.09	-50.14
COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=N1	REAL300017787798	0	34	-1.0	-49.85	319.45	0.78	-49.07
CO[C@@H](CNS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017787799	0	28	-1.0	-50.29	286.36	1.33	-48.96
COCC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787800	0	36	-1.0	-49.37	323.79	1.69	-47.68
COC1=CC(C#N)=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787801	0	34	-1.0	-49.03	309.93	2.17	-46.86
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787802	0	35	-1.0	-47.91	340.00	3.11	-44.80
CO[C@@H](CNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C(=O)[O-]	REAL300017787803	0	32	-1.0	-48.43	302.06	-0.50	-48.93
CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=N1	REAL300017787804	0	35	-1.0	-47.44	317.75	-0.42	-47.86
CO[C@@H](CNS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017787805	0	38	-1.0	-60.43	353.72	0.16	-60.27
CO[C@@H](CNS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017787806	0	36	-1.0	-52.67	329.90	0.96	-51.71
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017787807	0	43	-1.0	-59.43	360.33	3.54	-55.89
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300017787808	0	32	-1.0	-51.92	289.05	0.50	-51.42
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300017787809	0	35	-1.0	-46.88	323.36	3.76	-43.12
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787810	0	46	-1.0	-52.38	405.24	1.66	-50.72
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787811	0	39	-1.0	-56.50	349.92	-0.70	-57.20
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300017787812	0	46	-1.0	-54.57	381.03	3.87	-50.70
COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(F)(F)F	REAL300017787813	0	38	-1.0	-48.04	353.43	3.41	-44.63
CO[C@@H](CNS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300017787814	0	38	-1.0	-50.08	330.60	3.92	-46.16
CO[C@@H](CNS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300017787815	0	32	-1.0	-49.31	294.53	2.83	-46.48
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017787816	0	32	-1.0	-47.40	310.38	4.04	-43.36
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787817	0	43	-1.0	-54.50	380.03	0.14	-54.36
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787818	0	42	-1.0	-51.21	365.76	3.35	-47.86
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1C	REAL300017787819	0	41	-1.0	-50.98	361.41	4.06	-46.92
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787820	0	41	-1.0	-53.42	367.53	4.32	-49.10
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1OC	REAL300017787821	0	40	-1.0	-52.32	364.20	1.74	-50.58
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C(F)C=C1C	REAL300017787822	0	41	-1.0	-49.42	359.62	3.81	-45.61
CO[C@@H](CNS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017787823	0	35	-1.0	-49.15	330.48	3.97	-45.18
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787824	0	38	-1.0	-51.47	343.58	3.27	-48.20
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017787825	0	39	-1.0	-49.79	342.91	5.37	-44.42
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787826	0	43	-1.0	-52.67	387.84	-0.25	-52.92
CO[C@@H](CNS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017787827	0	32	-1.0	-49.75	309.25	3.23	-46.52
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CN1C	REAL300017787828	0	41	-1.0	-49.71	370.50	3.15	-46.56
CO[C@@H](CNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017787829	0	33	-1.0	-51.36	316.45	2.83	-48.53
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017787830	0	32	-1.0	-48.67	302.86	2.89	-45.78
CO[C@@H](CNS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300017787831	0	31	-1.0	-46.83	295.31	1.46	-45.37
CO[C@@H](CNS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017787832	0	32	-1.0	-52.45	309.32	1.39	-51.06
CO[C@@H](CNS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017787833	0	30	-1.0	-46.13	292.10	0.81	-45.32
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787834	0	42	-1.0	-54.94	362.66	2.82	-52.12
COC(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(F)=C1	REAL300017787835	0	35	-1.0	-53.53	321.69	2.37	-51.16
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787836	0	40	-1.0	-52.92	359.36	1.32	-51.60
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300017787837	0	44	-1.0	-51.20	381.65	4.78	-46.42
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787838	0	41	-1.0	-55.27	372.36	1.17	-54.10
COC(=O)C1(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])CCCC1	REAL300017787839	0	41	-1.0	-52.82	342.47	3.11	-49.71
COCC1=CC(Cl)=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787840	0	36	-1.0	-48.76	340.29	2.17	-46.59
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017787841	0	35	-1.0	-46.38	322.92	3.46	-42.92
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300017787842	0	40	-1.0	-48.17	374.12	5.32	-42.85
COC(=O)CC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787843	0	38	-1.0	-53.50	345.44	3.38	-50.12
CO[C@@H](CNS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300017787844	0	35	-1.0	-51.40	330.16	3.89	-47.51
COC(=O)C1(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])CCC1	REAL300017787845	0	38	-1.0	-53.84	327.68	2.34	-51.50
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300017787846	0	29	-1.0	-47.42	301.28	2.15	-45.27
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300017787847	0	32	-1.0	-49.14	314.05	3.59	-45.55
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787848	0	42	-1.0	-54.64	378.34	2.31	-52.33
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787849	0	45	-1.0	-54.67	400.42	3.25	-51.42
COC(=O)C1(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])CCCCC1	REAL300017787850	0	44	-1.0	-52.20	354.90	3.44	-48.76
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787851	0	37	-1.0	-51.47	339.18	2.95	-48.52
CO[C@@H](CNS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787852	1	31	-1.0	-55.62	295.80	0.95	-54.67
CO[C@@H](CNS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300017787853	0	42	-1.0	-54.61	368.54	5.79	-48.82
CO[C@@H](CNS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017787854	0	32	-1.0	-52.37	324.02	3.67	-48.70
CO[C@@H](CNS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300017787855	0	32	-1.0	-53.28	314.90	3.25	-50.03
COC1=CC=C(Br)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1F	REAL300017787856	0	33	-1.0	-54.67	317.64	2.19	-52.48
CO[C@@H](CNS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300017787857	0	39	-1.0	-49.80	343.29	4.26	-45.54
CO[C@@H](CNS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017787858	0	33	-1.0	-49.11	314.86	3.56	-45.55
CO[C@@H](CNS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300017787859	0	38	-1.0	-50.68	335.46	4.24	-46.44
CO[C@@H](CNS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300017787861	0	33	-1.0	-54.44	310.01	-2.48	-56.92
CCCC1=CC=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787865	0	38	-1.0	-48.88	321.56	4.49	-44.39
CO[C@@H](CNS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300017787866	0	38	-1.0	-51.79	330.85	2.67	-49.12
CO[C@@H](CNS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300017787867	0	29	-1.0	-51.36	282.60	2.26	-49.10
CO[C@@H](CNS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017787868	0	35	-1.0	-49.78	320.38	3.53	-46.25
CO[C@@H](CNS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017787869	0	45	-1.0	-48.60	383.03	4.71	-43.89
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300017787870	0	34	-1.0	-52.53	304.90	2.50	-50.03
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300017787871	0	49	-1.0	-55.97	394.17	4.37	-51.60
COC(=O)C1=CN(C)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787872	0	36	-1.0	-56.61	330.12	2.14	-54.47
CO[C@@H](CNS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300017787873	0	43	-1.0	-49.53	364.02	2.02	-47.51
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300017787874	0	44	-1.0	-58.97	379.17	4.60	-54.37
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C21	REAL300017787875	0	43	-1.0	-59.30	369.54	3.89	-55.41
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300017787876	0	44	-1.0	-48.75	397.58	5.82	-42.93
CO[C@@H](CNS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300017787877	0	36	-1.0	-51.45	318.39	1.62	-49.83
CO[C@@H](CNS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300017787878	0	36	-1.0	-47.33	316.00	1.84	-45.49
CO[C@@H](CNS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300017787879	0	39	-1.0	-47.49	337.90	2.56	-44.93
CO[C@@H](CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300017787887	0	35	-1.0	-49.73	335.55	2.86	-46.87
CO[C@@H](CNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300017787888	0	35	-1.0	-49.94	319.43	-0.81	-50.75
CO[C@@H](CNS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017787889	1	26	-1.0	-48.34	271.63	0.52	-47.82
CO[C@@H](CNS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300017787890	0	36	-1.0	-51.99	310.25	2.05	-49.94
COC1=C(F)C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1F	REAL300017787891	0	33	-1.0	-47.03	314.58	1.50	-45.53
COC1=CC(F)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1F	REAL300017787892	0	33	-1.0	-48.70	302.67	1.08	-47.62
CCCCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(C)C	REAL300017787893	0	54	-1.0	-47.76	443.17	6.57	-41.19
COC1=CC(C(C)C)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C	REAL300017787894	0	45	-1.0	-50.07	372.19	4.09	-45.98
CO[C@@H](CNS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300017787895	0	39	-1.0	-49.27	333.69	3.34	-45.93
CCOCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(C)C	REAL300017787896	0	52	-1.0	-49.69	434.15	4.42	-45.27
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300017787897	0	37	-1.0	-53.69	319.19	2.56	-51.13
CO[C@@H](CNS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017787898	0	37	-1.0	-47.57	337.16	1.61	-45.96
CO[C@@H](CNS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300017787899	0	37	-1.0	-50.27	336.95	4.16	-46.11
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787900	0	33	-1.0	-50.14	307.24	2.58	-47.56
CO[C@@H](CNS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300017787901	0	32	-1.0	-49.16	312.96	3.33	-45.83
CO[C@@H](CNS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br)C(=O)[O-]	REAL300017787902	0	32	-1.0	-49.27	315.95	4.01	-45.26
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300017787903	0	46	-1.0	-64.43	376.58	3.91	-60.52
CO[C@@H](CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300017787904	0	35	-1.0	-52.30	320.98	2.52	-49.78
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C)C(=O)[O-]	REAL300017787905	0	43	-1.0	-58.65	368.27	3.59	-55.06
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300017787906	0	29	-1.0	-46.94	290.66	0.07	-46.87
CO[C@@H](CNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017787907	0	31	-1.0	-46.12	302.38	1.10	-45.02
CO[C@@H](CNS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300017787908	0	34	-1.0	-58.74	310.23	1.52	-57.22
CO[C@@H](CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300017787909	0	33	-1.0	-53.43	316.44	2.19	-51.24
CO[C@@H](CNS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300017787910	0	30	-1.0	-45.70	283.60	0.74	-44.96
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300017787911	0	32	-1.0	-51.50	307.56	3.38	-48.12
CO[C@@H](CNS(=O)(=O)C1=CNC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300017787912	0	33	-1.0	-51.06	316.62	2.18	-48.88
CO[C@@H](CNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300017787913	0	32	-1.0	-59.45	313.61	1.66	-57.79
CO[C@@H](CNS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300017787914	0	36	-1.0	-48.12	320.43	1.66	-46.46
CO[C@@H](CNS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300017787915	0	38	-1.0	-48.61	316.63	3.97	-44.64
COC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1OC	REAL300017787916	0	37	-1.0	-51.08	325.91	1.74	-49.34
CO[C@@H](CNS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300017787917	0	38	-1.0	-52.78	337.03	-0.82	-53.60
CO[C@@H](CNS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300017787918	0	30	-1.0	-46.17	309.22	2.85	-43.32
COC1=CC=C(F)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1OC	REAL300017787919	0	37	-1.0	-53.01	330.23	2.23	-50.78
COC(=O)C1=C(Br)OC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787920	1	32	-1.0	-49.05	327.13	1.32	-47.73
CO[C@@H](CNS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300017787921	0	26	-1.0	-47.19	288.86	2.15	-45.04
CO[C@@H](CNS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300017787922	0	42	-1.0	-51.26	340.36	2.16	-49.10
CO[C@@H](CNS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300017787923	0	33	-1.0	-54.11	319.57	3.88	-50.23
CO[C@@H](CNS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300017787925	0	36	-1.0	-50.96	324.06	1.85	-49.11
CO[C@@H](CNC(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017787926	0	31	-1.0	-50.54	301.58	5.64	-44.90
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300017787927	0	33	-1.0	-51.42	307.96	1.53	-49.89
CO[C@@H](CNS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300017787928	0	33	-1.0	-57.28	316.65	2.19	-55.09
CO[C@@H](CNS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017787929	0	32	-1.0	-52.76	298.14	1.17	-51.59
CO[C@@H](CNS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300017787930	0	34	-1.0	-65.77	306.99	0.37	-65.40
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300017787932	0	35	-1.0	-49.24	322.91	4.05	-45.19
CO[C@@H](CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300017787933	0	35	-1.0	-46.76	336.93	3.09	-43.67
CO[C@@H](CNS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300017787934	0	32	-1.0	-48.26	291.48	1.84	-46.42
CO[C@@H](CNS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300017787935	0	39	-1.0	-50.61	340.53	2.33	-48.28
CO[C@@H](CNS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300017787936	0	47	-1.0	-49.59	382.67	5.96	-43.63
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300017787937	0	35	-1.0	-46.41	339.69	3.82	-42.59
CO[C@@H](CNS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300017787938	0	39	-1.0	-49.06	342.46	2.58	-46.48
CO[C@@H](CNS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300017787939	0	33	-1.0	-49.93	305.46	3.15	-46.78
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300017787940	0	40	-1.0	-49.38	357.97	4.76	-44.62
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300017787941	0	42	-1.0	-54.64	358.49	0.36	-54.28
COC1=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017787942	0	38	-1.0	-62.44	334.15	3.17	-59.27
CCCC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787943	0	38	-1.0	-48.32	332.88	4.15	-44.17
COC(=O)C1=NN(C)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787944	0	35	-1.0	-51.70	324.99	0.29	-51.41
CO[C@@H](CNS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300017787945	0	30	-1.0	-55.44	280.70	1.76	-53.68
CO[C@@H](CNS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300017787946	0	36	-1.0	-48.85	314.43	1.47	-47.38
CO[C@@H](CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017787947	0	33	-1.0	-46.69	324.93	3.29	-43.40
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C2C=C1	REAL300017787948	0	41	-1.0	-51.89	369.39	4.86	-47.03
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300017787949	0	38	-1.0	-49.60	357.51	4.54	-45.06
CO[C@@H](CNS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300017787950	0	38	-1.0	-46.92	310.68	1.54	-45.38
CO[C@@H](CNS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300017787951	0	38	-1.0	-48.84	332.99	1.65	-47.19
CO[C@@H](CNS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300017787952	0	36	-1.0	-49.68	300.00	0.34	-49.34
CO[C@@H](CNS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017787953	0	34	-1.0	-45.87	319.41	1.76	-44.11
CO[C@@H](CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017787954	0	32	-1.0	-45.65	313.84	3.02	-42.63
CO[C@@H](CNS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300017787955	0	29	-1.0	-47.27	289.65	2.47	-44.80
CO[C@@H](CNS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017787956	0	29	-1.0	-48.36	300.44	2.05	-46.31
CO[C@@H](CNS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300017787957	0	34	-1.0	-46.65	296.06	1.15	-45.50
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017787958	0	32	-1.0	-47.45	320.62	3.38	-44.07
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300017787959	0	32	-1.0	-53.40	288.73	3.43	-49.97
CCCC(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787960	0	40	-1.0	-53.00	353.29	3.99	-49.01
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300017787961	0	40	-1.0	-49.59	338.12	4.98	-44.61
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300017787962	0	39	-1.0	-51.39	348.72	3.63	-47.76
CO[C@@H](CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300017787963	0	35	-1.0	-47.90	331.18	2.99	-44.91
CO[C@@H](CNS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017787964	0	35	-1.0	-48.47	311.16	2.40	-46.07
CO[C@@H](CNS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300017787965	0	34	-1.0	-46.38	319.75	2.46	-43.92
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300017787966	0	39	-1.0	-47.99	364.89	2.72	-45.27
CO[C@@H](CNS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1)C(=O)[O-]	REAL300017787967	0	38	-1.0	-60.04	342.86	1.91	-58.13
CO[C@@H](CNS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300017787968	0	29	-1.0	-47.59	287.81	2.33	-45.26
CO[C@@H](CNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017787969	0	32	-1.0	-47.69	300.05	3.58	-44.11
COC(=O)C1=C(C)SC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787970	0	35	-1.0	-47.60	334.67	2.29	-45.31
CO[C@@H](CNS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300017787971	0	36	-1.0	-52.01	316.19	3.81	-48.20
CO[C@@H](CNS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300017787972	0	31	-1.0	-46.54	323.09	2.17	-44.37
CO[C@@H](CNS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300017787973	0	39	-1.0	-47.70	328.64	2.24	-45.46
CCC(C)N1N=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787974	0	38	-1.0	-47.41	328.44	1.83	-45.58
CNC(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300017787975	0	38	-1.0	-53.58	339.70	-0.54	-54.12
CO[C@@H](CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300017787976	0	32	-1.0	-55.68	322.43	-1.56	-57.24
CO[C@@H](CNS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300017787977	0	43	-1.0	-48.05	334.00	2.74	-45.31
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787978	0	33	-1.0	-45.59	301.91	1.90	-43.69
CO[C@@H](CNS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300017787979	0	43	-1.0	-50.72	367.20	1.08	-49.64
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300017787980	0	35	-1.0	-48.33	321.70	3.47	-44.86
CO[C@@H](CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300017787981	0	33	-1.0	-49.64	307.74	1.52	-48.12
CO[C@@H](CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017787982	0	44	-1.0	-48.02	364.23	4.62	-43.40
CO[C@@H](CNS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300017787983	0	40	-1.0	-58.33	339.90	4.23	-54.10
CO[C@@H](CNS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300017787984	0	37	-1.0	-47.56	324.02	2.07	-45.49
CCOCC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300017787985	0	39	-1.0	-49.38	345.41	2.63	-46.75
CO[C@@H](CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300017787986	0	32	-1.0	-49.37	327.77	3.95	-45.42
CO[C@@H](CNS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300017787989	0	39	-1.0	-49.18	350.37	3.03	-46.15
CO[C@@H](CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300017787990	0	42	-1.0	-48.05	355.10	2.89	-45.16
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017787991	0	40	-1.0	-48.50	357.16	4.79	-43.71
CO[C@@H](CNS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300017787992	0	35	-1.0	-46.88	326.19	3.69	-43.19
CCN1N=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1Cl	REAL300017787993	0	32	-1.0	-47.20	301.65	0.50	-46.70
CO[C@@H](CNS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017787994	0	33	-1.0	-49.04	318.88	3.65	-45.39
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C2	REAL300017787995	0	35	-1.0	-48.86	353.81	3.17	-45.69
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017787997	0	31	-1.0	-53.21	302.58	0.89	-52.32
CO[C@@H](CNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017787998	0	34	-1.0	-54.76	324.95	3.12	-51.64
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017787999	0	34	-1.0	-53.02	321.85	2.95	-50.07
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300017788000	0	38	-1.0	-52.18	327.43	4.84	-47.34
C=CC[C@@H](NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300017790957	0	35	-1.0	-55.37	318.89	4.94	-50.43
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017790958	0	34	-1.0	-46.93	333.56	5.32	-41.61
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017790959	0	35	-1.0	-48.21	334.21	4.26	-43.95
C=CC[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300017790960	0	41	-1.0	-54.60	352.63	4.97	-49.63
C=CC[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300017790961	0	47	-1.0	-52.57	345.83	4.76	-47.81
C=CC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300017790962	0	37	-1.0	-62.25	330.11	4.92	-57.33
C=CC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017790963	0	37	-1.0	-66.45	333.18	5.40	-61.05
C=CC[C@@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300017790964	0	40	-1.0	-54.37	346.77	2.06	-52.31
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300017790965	0	43	-1.0	-45.78	391.59	4.69	-41.09
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017790966	0	30	-1.0	-48.76	314.85	4.48	-44.28
C=CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017790967	0	32	-1.0	-50.33	304.25	4.60	-45.73
C=CC[C@@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300017790968	0	35	-1.0	-64.58	316.63	4.50	-60.08
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300017790969	0	38	-1.0	-53.86	354.76	4.99	-48.87
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017790970	0	35	-1.0	-45.66	342.64	4.74	-40.92
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300017790971	0	38	-1.0	-58.63	349.53	4.86	-53.77
C=CC[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017790972	0	35	-1.0	-55.06	326.29	5.29	-49.77
C=CC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017790973	0	32	-1.0	-55.23	312.28	4.74	-50.49
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300017790974	0	29	-1.0	-48.31	306.64	4.65	-43.66
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017790975	0	36	-1.0	-59.25	324.71	0.95	-58.30
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCCCCCCCC)C=C1)C(=O)[O-]	REAL300017790976	0	54	-1.0	-52.66	449.11	8.44	-44.22
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300017790977	0	44	-1.0	-54.73	378.64	5.85	-48.88
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1OCCC)C(=O)[O-]	REAL300017790978	0	39	-1.0	-44.12	362.49	5.72	-38.40
C=CC[C@@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017790979	0	35	-1.0	-54.80	320.07	5.09	-49.71
C=CC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300017790980	0	35	-1.0	-58.64	319.47	5.03	-53.61
C=CC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017790981	0	35	-1.0	-57.41	326.57	5.36	-52.05
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300017790982	0	33	-1.0	-52.87	323.79	4.05	-48.82
C=CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300017790983	0	44	-1.0	-68.78	372.93	2.49	-66.29
C=CC[C@@H](NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300017790984	0	40	-1.0	-58.84	359.88	4.01	-54.83
C=CC[C@@H](NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300017790985	0	36	-1.0	-55.17	343.95	6.14	-49.03
C=CC[C@@H](NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300017790986	0	33	-1.0	-48.57	324.86	1.00	-47.57
C=CC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017790987	0	32	-1.0	-54.58	315.52	4.85	-49.73
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300017790988	0	42	-1.0	-53.17	358.59	5.18	-47.99
C=CC[C@@H](NS(=O)(=O)CC(C)CC(F)(F)F)C(=O)[O-]	REAL300017790989	0	34	-1.0	-57.50	303.85	3.70	-53.80
C=CC[C@@H](NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C(=O)[O-]	REAL300017790990	0	36	-1.0	-55.04	329.26	5.02	-50.02
C=CC[C@@H](NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300017790991	0	41	-1.0	-59.34	358.87	3.43	-55.91
C=CC[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1OC)C(=O)[O-]	REAL300017790992	0	33	-1.0	-53.02	303.35	3.50	-49.52
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017790993	0	35	-1.0	-53.02	327.20	2.95	-50.07
C=CC[C@@H](NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300017790994	0	42	-1.0	-62.62	368.70	5.50	-57.12
C=CC[C@@H](NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300017790995	0	40	-1.0	-62.59	352.32	4.03	-58.56
C=CC[C@@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300017790996	0	32	-1.0	-51.05	309.17	3.06	-47.99
C=CC[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300017790997	0	32	-1.0	-63.87	319.23	3.38	-60.49
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300017790998	0	48	-1.0	-53.15	400.02	6.57	-46.58
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017790999	0	37	-1.0	-49.98	329.34	5.88	-44.10
C=CC[C@@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300017791000	0	42	-1.0	-49.52	367.40	5.74	-43.78
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017791245	0	32	-1.0	-52.42	300.75	4.39	-48.03
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017791246	0	32	-1.0	-49.04	324.56	5.04	-44.00
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017791247	0	32	-1.0	-48.80	312.98	4.61	-44.19
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300017791248	0	32	-1.0	-50.23	311.23	4.80	-45.43
C=CC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC)C(=O)[O-]	REAL300017791249	0	40	-1.0	-58.24	330.99	1.40	-56.84
C=CC[C@@H](NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300017791250	0	33	-1.0	-45.67	305.22	4.67	-41.00
C=CC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1)C(=O)[O-]	REAL300017791251	0	36	-1.0	-54.54	342.55	3.17	-51.37
C=CC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017791252	0	40	-1.0	-66.40	340.73	3.54	-62.86
C=CC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017791253	0	41	-1.0	-55.86	355.47	3.63	-52.23
C=CC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300017791254	0	35	-1.0	-52.33	349.24	1.64	-50.69
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017791255	0	35	-1.0	-46.43	332.25	4.34	-42.09
C=CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017791256	0	39	-1.0	-49.10	359.48	2.84	-46.26
C=CC[C@@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017791257	0	40	-1.0	-63.94	367.69	5.34	-58.60
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300017791258	0	39	-1.0	-54.09	351.62	4.07	-50.02
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300017791259	0	32	-1.0	-51.01	307.22	4.84	-46.17
C=CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017791260	0	37	-1.0	-60.13	325.29	5.51	-54.62
C=CC[C@@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017791261	0	37	-1.0	-61.72	332.29	4.75	-56.97
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCCS(=O)(=O)CC)C=C1)C(=O)[O-]	REAL300017791262	0	45	-1.0	-61.68	404.98	2.19	-59.49
C=CC[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017791263	0	35	-1.0	-61.60	307.08	-0.24	-61.84
C=CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017791264	0	39	-1.0	-56.29	349.01	4.42	-51.87
C=CC[C@@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017791265	0	34	-1.0	-53.96	316.80	3.70	-50.26
C=CC[C@@H](NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017791266	0	33	-1.0	-55.69	305.28	3.05	-52.64
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300017791267	0	39	-1.0	-53.50	332.27	4.56	-48.94
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300017791268	0	37	-1.0	-60.40	345.18	-0.31	-60.71
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300017791269	0	38	-1.0	-56.70	334.58	5.07	-51.63
C=CC[C@@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017791270	0	33	-1.0	-55.48	306.62	3.66	-51.82
C=CC[C@@H](NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300017791271	0	33	-1.0	-51.87	308.71	4.54	-47.33
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OCCC)C=C1)C(=O)[O-]	REAL300017791272	0	41	-1.0	-52.48	366.90	5.89	-46.59
C=CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300017791273	0	35	-1.0	-53.73	327.34	3.33	-50.40
C=CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)CC)C=C1)C(=O)[O-]	REAL300017791274	0	39	-1.0	-57.60	345.41	3.21	-54.39
C=CC[C@@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017791275	0	35	-1.0	-58.15	330.89	5.22	-52.93
C=CC[C@@H](NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300017791276	0	40	-1.0	-55.44	339.60	5.34	-50.10
C=CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017791277	0	28	-1.0	-47.22	292.23	2.59	-44.63
C=CC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017791278	0	35	-1.0	-56.20	311.42	3.24	-52.96
C=CC[C@@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300017791279	0	34	-1.0	-54.01	303.11	3.88	-50.13
C=CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017791280	0	41	-1.0	-55.97	362.79	5.51	-50.46
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017791281	0	29	-1.0	-52.60	295.88	4.25	-48.35
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017791282	0	35	-1.0	-50.25	323.23	5.04	-45.21
C=CC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017791283	0	35	-1.0	-57.53	342.59	4.30	-53.23
C=CC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300017791284	0	37	-1.0	-52.68	335.12	3.21	-49.47
C=CC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017791285	0	32	-1.0	-53.82	319.01	4.86	-48.96
C=CC[C@@H](NS(=O)(=O)CC1CCCN1C(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017791286	0	50	-1.0	-65.52	417.62	7.58	-57.94
C=CC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300017791287	0	33	-1.0	-52.56	308.36	0.48	-52.08
C=CC[C@@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017791288	0	38	-1.0	-55.74	350.31	6.36	-49.38
C=CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017791289	0	31	-1.0	-54.23	310.85	4.83	-49.40
C=CC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300017791290	0	38	-1.0	-59.17	361.42	4.65	-54.52
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017791291	0	35	-1.0	-58.82	315.43	4.98	-53.84
C=CC[C@@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017791292	0	32	-1.0	-55.54	305.89	4.67	-50.87
C=CC[C@@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017791293	0	41	-1.0	-69.40	365.33	2.03	-67.37
C=CC[C@@H](NS(=O)(=O)C1=CN=C2SC(C(=O)OCC)=C(C)C2=C1)C(=O)[O-]	REAL300017791294	0	43	-1.0	-50.21	393.00	5.12	-45.09
C=CC[C@@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017791295	0	36	-1.0	-54.86	338.16	4.02	-50.84
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017791296	0	29	-1.0	-51.80	301.28	4.67	-47.13
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300017791297	0	37	-1.0	-57.16	346.54	3.39	-53.77
C=CC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017791298	0	37	-1.0	-48.71	338.24	0.91	-47.80
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300017791299	0	42	-1.0	-62.12	389.89	5.69	-56.43
C=CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300017791335	0	38	-1.0	-52.99	349.74	5.13	-47.86
C=CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017791336	0	37	-1.0	-56.08	327.79	4.20	-51.88
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017791337	0	29	-1.0	-52.45	286.37	4.11	-48.34
C=CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)N(C)CCCC)C(=O)[O-]	REAL300017791338	0	48	-1.0	-64.64	393.43	6.97	-57.67
C=CC[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017791339	0	32	-1.0	-55.89	319.20	5.14	-50.75
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017791340	0	30	-1.0	-50.01	300.96	4.42	-45.59
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300017791341	0	36	-1.0	-54.22	344.02	3.13	-51.09
C=CC[C@@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017791342	0	37	-1.0	-52.90	325.71	4.11	-48.79
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017791343	0	33	-1.0	-51.96	325.40	3.87	-48.09
C=CC[C@@H](NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300017791344	0	41	-1.0	-53.17	321.75	6.58	-46.59
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300017791345	0	41	-1.0	-59.88	353.61	2.40	-57.48
C=CC[C@@H](NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300017791346	0	32	-1.0	-58.87	316.37	3.21	-55.66
C=CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017791347	0	38	-1.0	-58.57	348.39	5.94	-52.63
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017791348	0	40	-1.0	-52.65	374.18	6.87	-45.78
C=CC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017791349	0	35	-1.0	-52.88	335.43	4.20	-48.68
C=CC[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017791350	0	35	-1.0	-57.26	352.91	4.75	-52.51
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300017791351	0	38	-1.0	-53.23	329.26	4.82	-48.41
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017791352	0	31	-1.0	-51.00	318.27	4.80	-46.20
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300017791353	0	33	-1.0	-48.42	323.61	4.27	-44.15
C=CC[C@@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300017791354	0	41	-1.0	-54.54	344.60	4.07	-50.47
C=CC[C@@H](NS(=O)(=O)C1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300017791355	0	43	-1.0	-41.49	361.59	3.51	-37.98
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300017791356	0	38	-1.0	-54.93	344.92	2.59	-52.34
C=CC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017791357	0	28	-1.0	-45.99	295.70	2.60	-43.39
C=CC[C@@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017791358	0	37	-1.0	-53.75	322.27	4.15	-49.60
C=CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300017791359	0	33	-1.0	-55.40	309.42	3.33	-52.07
C=CC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300017791360	0	38	-1.0	-56.05	354.12	5.91	-50.14
C=CC[C@@H](NS(=O)(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017791361	0	50	-1.0	-42.44	421.50	6.55	-35.89
C=CC[C@@H](NS(=O)(=O)C1CCCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017791362	0	50	-1.0	-54.59	420.46	6.52	-48.07
C=CC[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300017791363	0	38	-1.0	-58.99	345.50	4.97	-54.02
C=CC[C@@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300017791364	0	39	-1.0	-51.54	351.28	5.33	-46.21
C=CC[C@@H](NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017791365	0	47	-1.0	-57.10	404.17	5.46	-51.64
C=CC[C@@H](NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017791366	0	47	-1.0	-59.95	403.76	5.51	-54.44
C=CC[C@@H](NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017791367	0	44	-1.0	-55.82	389.35	4.70	-51.12
C=CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300017791368	0	31	-1.0	-48.54	307.44	3.88	-44.66
C=CC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017791369	0	40	-1.0	-74.44	347.61	4.53	-69.91
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017791370	0	29	-1.0	-50.94	297.46	4.62	-46.32
C=CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017791371	0	29	-1.0	-50.27	304.69	4.59	-45.68
C=CC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300017791372	0	39	-1.0	-58.49	330.65	5.30	-53.19
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300017791373	0	35	-1.0	-54.88	327.85	4.21	-50.67
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300017791374	0	33	-1.0	-56.69	313.39	3.93	-52.76
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017791375	0	30	-1.0	-51.35	309.04	4.41	-46.94
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300017791376	0	36	-1.0	-55.12	325.72	4.02	-51.10
C=CC[C@@H](NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300017791377	0	35	-1.0	-50.54	336.41	3.87	-46.67
C=CC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1)C(=O)[O-]	REAL300017791378	0	36	-1.0	-54.98	329.73	2.55	-52.43
C=CC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017791379	0	37	-1.0	-52.67	338.62	3.23	-49.44
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017791380	0	33	-1.0	-52.95	314.03	3.17	-49.78
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017791381	0	32	-1.0	-46.69	312.89	4.58	-42.11
C=CC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300017791382	0	40	-1.0	-55.64	359.91	0.62	-55.02
C=CC[C@@H](NS(=O)(=O)C1=CC=C2SC(C(=O)OCC)=CC2=C1)C(=O)[O-]	REAL300017791383	0	41	-1.0	-51.82	383.21	6.57	-45.25
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300017791384	0	33	-1.0	-51.79	312.33	3.47	-48.32
C=CC[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017791385	0	34	-1.0	-59.27	325.35	-0.90	-60.17
C=CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300017791386	0	35	-1.0	-55.10	307.00	3.02	-52.08
C=CC[C@@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300017791387	0	35	-1.0	-51.33	335.79	4.65	-46.68
C=CC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300017791388	0	35	-1.0	-50.39	318.44	4.71	-45.68
C=CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017791389	0	29	-1.0	-49.18	296.92	4.54	-44.64
C=CC[C@@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300017791390	0	35	-1.0	-47.10	297.65	5.01	-42.09
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017791391	0	29	-1.0	-51.63	299.37	4.69	-46.94
C=CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300017791392	0	39	-1.0	-57.82	347.36	0.65	-57.17
C=CC[C@@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017791393	0	30	-1.0	-55.31	293.38	1.93	-53.38
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017791394	0	29	-1.0	-51.65	294.84	4.20	-47.45
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300017791395	0	39	-1.0	-53.54	350.61	4.23	-49.31
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017791396	0	33	-1.0	-55.67	320.03	0.80	-54.87
C=CC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300017791397	0	40	-1.0	-58.91	346.55	4.80	-54.11
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300017791398	0	33	-1.0	-47.73	325.22	4.71	-43.02
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300017791439	0	30	-1.0	-54.11	300.39	4.09	-50.02
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017791440	0	43	-1.0	-57.11	371.24	2.99	-54.12
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017791441	0	37	-1.0	-50.13	342.57	4.65	-45.48
C=CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017791442	0	34	-1.0	-48.35	312.79	4.71	-43.64
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017791443	0	43	-1.0	-46.90	383.71	6.11	-40.79
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300017791444	0	32	-1.0	-53.95	304.27	4.81	-49.14
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017791445	0	32	-1.0	-53.30	309.64	2.32	-50.98
C=CC[C@@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300017791446	0	40	-1.0	-58.07	357.34	4.28	-53.79
C=CC[C@@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300017791447	0	31	-1.0	-51.61	300.83	3.01	-48.60
C=CC[C@@H](NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300017791448	0	39	-1.0	-63.37	336.38	3.76	-59.61
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017791449	0	39	-1.0	-61.89	343.45	3.32	-58.57
C=CC[C@@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300017791450	0	34	-1.0	-57.30	315.76	3.55	-53.75
C=CC[C@@H](NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2)C(=O)[O-]	REAL300017791451	0	35	-1.0	-55.81	313.47	1.30	-54.51
C=CC[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300017791452	0	41	-1.0	-53.80	342.79	4.08	-49.72
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300017791453	0	31	-1.0	-50.18	304.08	2.80	-47.38
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300017791454	0	32	-1.0	-54.13	301.61	4.69	-49.44
C=CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300017791455	0	37	-1.0	-62.37	321.04	4.07	-58.30
C=CC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017791456	0	31	-1.0	-47.78	299.51	2.73	-45.05
C=CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300017791457	0	35	-1.0	-54.65	319.87	2.57	-52.08
C=CC[C@@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017791458	0	28	-1.0	-47.39	289.97	3.30	-44.09
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017791459	0	38	-1.0	-53.92	342.31	5.21	-48.71
C=CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300017791460	0	37	-1.0	-55.71	327.79	2.12	-53.59
C=CC[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300017791461	0	30	-1.0	-54.39	300.72	4.43	-49.96
C=CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300017791462	0	35	-1.0	-57.48	316.77	4.86	-52.62
C=CC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017791463	0	37	-1.0	-66.71	318.79	5.22	-61.49
C=CC[C@@H](NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300017791464	0	41	-1.0	-54.25	345.69	6.09	-48.16
C=CC[C@@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300017791465	0	37	-1.0	-47.07	324.27	5.75	-41.32
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300017791466	0	32	-1.0	-54.04	298.49	4.61	-49.43
C=CC[C@@H](NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017791467	0	35	-1.0	-55.71	326.13	2.95	-52.76
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300017791468	0	30	-1.0	-49.85	290.02	1.51	-48.34
C=CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300017791469	0	35	-1.0	-60.42	313.63	4.92	-55.50
C=CC[C@@H](NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300017791470	0	31	-1.0	-54.14	298.30	2.30	-51.84
C=CC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017791471	1	31	-1.0	-58.79	295.93	1.52	-57.27
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300017791472	0	35	-1.0	-50.16	315.81	4.86	-45.30
C=CC[C@@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300017791473	0	37	-1.0	-68.32	328.11	1.98	-66.34
C=CC[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-]	REAL300017791474	0	40	-1.0	-52.43	323.72	1.21	-51.22
C=CC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017791475	0	36	-1.0	-54.01	330.66	3.62	-50.39
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300017791476	0	40	-1.0	-55.58	350.97	5.35	-50.23
C=CC[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017791477	0	32	-1.0	-57.35	314.45	4.75	-52.60
C=CC[C@@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017791478	0	32	-1.0	-56.82	315.00	4.77	-52.05
C=CC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017791479	0	29	-1.0	-58.76	283.44	4.26	-54.50
C=CC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300017791480	0	32	-1.0	-46.80	309.71	1.47	-45.33
C=CC[C@@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300017791481	0	33	-1.0	-58.90	318.33	4.65	-54.25
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300017791482	0	34	-1.0	-49.41	319.56	2.34	-47.07
C=CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017791483	0	28	-1.0	-54.04	284.01	2.85	-51.19
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300017791484	0	34	-1.0	-53.98	317.67	3.83	-50.15
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017791485	0	35	-1.0	-54.97	340.36	4.67	-50.30
C=CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C(=O)[O-]	REAL300017791486	0	32	-1.0	-40.33	314.40	1.67	-38.66
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300017791487	0	35	-1.0	-51.09	317.89	1.12	-49.97
C=CC[C@@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017791488	0	38	-1.0	-66.57	353.80	1.71	-64.86
C=CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017791489	0	36	-1.0	-62.67	330.59	2.52	-60.15
C=CC[C@@H](NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017791490	0	43	-1.0	-71.97	361.02	5.12	-66.85
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300017791491	0	35	-1.0	-50.69	319.81	5.32	-45.37
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C(=O)[O-]	REAL300017791492	0	46	-1.0	-54.73	405.33	3.24	-51.49
C=CC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300017791493	0	39	-1.0	-66.85	357.65	0.96	-65.89
C=CC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300017791494	0	46	-1.0	-59.75	381.91	5.46	-54.29
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017791495	0	38	-1.0	-55.09	353.48	4.98	-50.11
C=CC[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300017791496	0	38	-1.0	-53.64	340.17	5.95	-47.69
C=CC[C@@H](NS(=O)(=O)C1=CSC2=CC=CC=C21)C(=O)[O-]	REAL300017791497	0	32	-1.0	-52.59	304.04	4.85	-47.74
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017791498	0	32	-1.0	-54.23	303.86	4.79	-49.44
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1)C(=O)[O-]	REAL300017791499	0	43	-1.0	-58.63	380.10	1.72	-56.91
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1OC)C(=O)[O-]	REAL300017791500	0	42	-1.0	-63.39	373.20	5.01	-58.38
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300017791501	0	41	-1.0	-50.92	361.23	5.63	-45.29
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)OCC)=C1)C(=O)[O-]	REAL300017791502	0	41	-1.0	-59.45	367.60	5.88	-53.57
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC)C(=O)[O-]	REAL300017791503	0	40	-1.0	-54.56	363.50	3.36	-51.20
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=C(C)C=C1F)C(=O)[O-]	REAL300017791504	0	41	-1.0	-52.78	365.29	5.60	-47.18
C=CC[C@@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017791505	0	35	-1.0	-54.36	330.63	5.52	-48.84
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1F)C(=O)[O-]	REAL300017791506	0	38	-1.0	-58.98	351.13	5.17	-53.81
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017791507	0	39	-1.0	-58.03	342.98	6.93	-51.10
C=CC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC)C=C1)C(=O)[O-]	REAL300017791508	0	43	-1.0	-54.51	387.68	1.32	-53.19
C=CC[C@@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017791509	0	32	-1.0	-55.22	309.12	4.78	-50.44
C=CC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)C(=O)OCC)=C1)C(=O)[O-]	REAL300017791510	0	41	-1.0	-52.25	371.51	4.75	-47.50
C=CC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017791511	0	33	-1.0	-57.58	314.61	4.45	-53.13
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017791512	0	32	-1.0	-52.63	300.96	4.39	-48.24
C=CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300017791513	0	31	-1.0	-48.06	292.90	2.97	-45.09
C=CC[C@@H](NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017791514	0	32	-1.0	-57.27	310.09	3.07	-54.20
C=CC[C@@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017791515	0	30	-1.0	-46.51	291.99	2.37	-44.14
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C(=O)[O-]	REAL300017791516	0	42	-1.0	-58.55	362.51	4.38	-54.17
C=CC[C@@H](NS(=O)(=O)C1=C(Br)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300017791517	1	32	-1.0	-51.15	326.40	3.39	-47.76
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300017791518	0	35	-1.0	-50.79	328.98	4.28	-46.51
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300017791519	0	40	-1.0	-57.05	366.39	2.94	-54.11
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300017791520	0	44	-1.0	-51.36	381.71	6.34	-45.02
C=CC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300017791521	0	41	-1.0	-56.89	372.19	2.74	-54.15
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OCCOC)C(Cl)=C1)C(=O)[O-]	REAL300017791522	0	40	-1.0	-49.26	389.77	4.23	-45.03
C=CC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-]	REAL300017791523	0	41	-1.0	-61.74	342.29	4.59	-57.15
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300017791524	0	36	-1.0	-51.71	340.66	3.74	-47.97
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017791525	0	35	-1.0	-49.51	323.23	5.03	-44.48
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300017791526	0	40	-1.0	-52.07	373.94	6.89	-45.18
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300017791527	0	38	-1.0	-59.50	345.52	4.96	-54.54
C=CC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300017791528	0	35	-1.0	-57.13	330.10	5.43	-51.70
C=CC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	REAL300017791529	0	38	-1.0	-60.79	331.04	3.89	-56.90
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300017791530	0	29	-1.0	-50.48	301.83	3.75	-46.73
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300017791531	0	32	-1.0	-50.62	313.91	5.16	-45.46
C=CC[C@@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017791532	0	42	-1.0	-54.67	378.70	3.88	-50.79
C=CC[C@@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300017791533	0	45	-1.0	-54.09	400.32	4.82	-49.27
C=CC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCCCC1)C(=O)[O-]	REAL300017791534	0	44	-1.0	-60.56	355.16	5.00	-55.56
C=CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017791535	0	37	-1.0	-58.02	337.30	4.57	-53.45
C=CC[C@@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017791536	1	31	-1.0	-60.82	296.85	2.55	-58.27
C=CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300017791537	0	42	-1.0	-58.79	368.41	7.36	-51.43
C=CC[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017791538	0	32	-1.0	-54.29	324.05	5.21	-49.08
C=CC[C@@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300017791539	0	32	-1.0	-54.69	314.93	4.80	-49.89
C=CC[C@@H](NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300017791540	0	33	-1.0	-55.66	313.58	3.63	-52.03
C=CC[C@@H](NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300017791541	0	39	-1.0	-55.41	342.97	5.84	-49.57
C=CC[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017791542	0	33	-1.0	-53.59	315.91	5.18	-48.41
C=CC[C@@H](NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300017791544	0	33	-1.0	-59.73	307.80	-1.00	-60.73
C=CC[C@@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300017791548	0	38	-1.0	-61.09	330.77	4.21	-56.88
C=CC[C@@H](NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300017791549	0	29	-1.0	-60.67	276.57	3.09	-57.58
C=CC[C@@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017791550	0	35	-1.0	-54.48	320.07	5.09	-49.39
C=CC[C@@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017791551	0	45	-1.0	-54.89	379.76	6.23	-48.66
C=CC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300017791552	0	34	-1.0	-56.52	303.23	3.89	-52.63
C=CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300017791553	0	49	-1.0	-59.86	395.49	5.99	-53.87
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300017791554	0	36	-1.0	-51.51	326.58	3.67	-47.84
C=CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300017791555	0	43	-1.0	-53.81	364.12	3.60	-50.21
C=CC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300017791556	0	44	-1.0	-64.62	379.20	6.17	-58.45
C=CC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)CC)C2=C1)C(=O)[O-]	REAL300017791557	0	43	-1.0	-74.35	369.35	5.46	-68.89
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300017791558	0	44	-1.0	-53.47	397.44	7.38	-46.09
C=CC[C@@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300017791559	0	39	-1.0	-49.19	329.80	4.28	-44.91
C=CC[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300017791567	0	35	-1.0	-52.38	336.28	4.46	-47.92
C=CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300017791568	0	35	-1.0	-52.65	319.51	0.74	-51.91
C=CC[C@@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017791569	1	26	-1.0	-52.71	270.43	2.30	-50.41
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1)C(=O)[O-]	REAL300017791570	0	33	-1.0	-48.22	314.67	3.06	-45.16
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C=C1F)C(=O)[O-]	REAL300017791571	0	33	-1.0	-52.86	310.08	2.96	-49.90
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCCCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300017791572	0	54	-1.0	-53.14	443.01	8.14	-45.00
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300017791573	0	45	-1.0	-57.12	362.98	5.01	-52.11
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300017791574	0	39	-1.0	-57.65	343.60	5.06	-52.59
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCCOCC)C(C(C)C)=C1)C(=O)[O-]	REAL300017791575	0	52	-1.0	-55.47	434.00	5.99	-49.48
C=CC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300017791576	0	37	-1.0	-59.26	317.06	3.85	-55.41
C=CC[C@@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017791577	0	37	-1.0	-51.06	338.34	3.20	-47.86
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300017791578	0	37	-1.0	-55.40	336.81	5.73	-49.67
C=CC[C@@H](NS(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300017791579	0	33	-1.0	-54.86	303.60	4.14	-50.72
C=CC[C@@H](NS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300017791580	0	32	-1.0	-53.77	310.22	4.83	-48.94
C=CC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br)C(=O)[O-]	REAL300017791581	0	32	-1.0	-53.77	313.03	5.50	-48.27
C=CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300017791582	0	46	-1.0	-71.59	377.43	5.55	-66.04
C=CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300017791583	0	35	-1.0	-57.24	318.85	4.03	-53.21
C=CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C)C(=O)[O-]	REAL300017791584	0	43	-1.0	-63.80	367.95	5.13	-58.67
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300017791585	0	29	-1.0	-47.05	291.27	1.68	-45.37
C=CC[C@@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017791586	0	31	-1.0	-48.13	302.73	2.66	-45.47
C=CC[C@@H](NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300017791587	0	34	-1.0	-62.11	307.06	3.05	-59.06
C=CC[C@@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12)C(=O)[O-]	REAL300017791588	0	33	-1.0	-52.51	323.04	4.07	-48.44
C=CC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300017791589	0	32	-1.0	-55.15	307.98	4.99	-50.16
C=CC[C@@H](NS(=O)(=O)C1=CNC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300017791590	0	33	-1.0	-52.57	323.20	4.05	-48.52
C=CC[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300017791591	0	32	-1.0	-64.49	314.67	3.27	-61.22
C=CC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300017791592	0	38	-1.0	-49.70	320.31	5.72	-43.98
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300017791593	0	37	-1.0	-54.29	325.16	3.44	-50.85
C=CC[C@@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300017791594	0	38	-1.0	-63.31	336.87	0.73	-62.58
C=CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300017791595	0	30	-1.0	-52.27	309.07	4.41	-47.86
C=CC[C@@H](NS(=O)(=O)C1=C(F)C=CC(OC)=C1OC)C(=O)[O-]	REAL300017791596	0	37	-1.0	-58.27	326.61	3.81	-54.46
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300017791597	1	32	-1.0	-50.60	328.64	2.94	-47.66
C=CC[C@@H](NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300017791598	0	26	-1.0	-51.05	289.71	3.73	-47.32
C=CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300017791599	0	42	-1.0	-52.92	352.02	4.24	-48.68
C=CC[C@@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300017791600	0	33	-1.0	-54.54	317.54	5.40	-49.14
C=CC[C@@H](NC(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017791602	0	31	-1.0	-53.44	302.23	7.45	-45.99
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300017791603	0	33	-1.0	-53.17	307.78	3.10	-50.07
C=CC[C@@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300017791604	0	33	-1.0	-54.54	323.04	4.07	-50.47
C=CC[C@@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017791605	0	32	-1.0	-58.23	296.56	2.69	-55.54
C=CC[C@@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300017791606	0	34	-1.0	-55.20	314.10	2.00	-53.20
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300017791608	0	35	-1.0	-55.14	320.36	5.51	-49.63
C=CC[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300017791609	0	35	-1.0	-49.49	337.00	4.65	-44.84
C=CC[C@@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300017791610	0	32	-1.0	-52.37	301.20	3.87	-48.50
C=CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300017791611	0	39	-1.0	-52.95	337.98	3.76	-49.19
C=CC[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300017791612	0	47	-1.0	-58.34	371.92	6.89	-51.45
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300017791613	0	35	-1.0	-50.21	340.01	5.38	-44.83
C=CC[C@@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300017791614	0	39	-1.0	-51.14	343.47	4.17	-46.97
C=CC[C@@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300017791615	0	33	-1.0	-55.45	306.06	4.75	-50.70
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300017791616	0	40	-1.0	-56.76	366.81	6.43	-50.33
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300017791617	0	42	-1.0	-60.03	358.34	1.93	-58.10
C=CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017791618	0	38	-1.0	-71.76	332.34	4.91	-66.85
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=NN1C)C(=O)[O-]	REAL300017791619	0	35	-1.0	-51.92	325.63	1.90	-50.02
C=CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017791620	0	33	-1.0	-47.25	325.01	4.87	-42.38
C=CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1)C(=O)[O-]	REAL300017791621	0	41	-1.0	-55.04	369.18	6.43	-48.61
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300017791622	0	38	-1.0	-52.97	357.58	6.12	-46.85
C=CC[C@@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300017791623	0	38	-1.0	-49.61	311.16	3.35	-46.26
C=CC[C@@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300017791624	0	38	-1.0	-51.34	333.80	3.26	-48.08
C=CC[C@@H](NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017791625	0	34	-1.0	-46.72	319.54	3.34	-43.38
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017791626	0	32	-1.0	-48.59	313.98	4.60	-43.99
C=CC[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300017791627	0	29	-1.0	-51.80	285.52	3.89	-47.91
C=CC[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017791628	0	29	-1.0	-51.63	300.61	3.64	-47.99
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017791629	0	32	-1.0	-46.67	320.46	4.94	-41.73
C=CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300017791630	0	32	-1.0	-53.05	284.97	4.71	-48.34
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)CCC)=C1)C(=O)[O-]	REAL300017791631	0	40	-1.0	-58.12	353.14	5.56	-52.56
C=CC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300017791632	0	40	-1.0	-55.66	337.22	6.59	-49.07
C=CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300017791633	0	39	-1.0	-64.17	349.00	5.19	-58.98
C=CC[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300017791634	0	35	-1.0	-51.47	331.23	4.54	-46.93
C=CC[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300017791635	0	34	-1.0	-42.22	326.16	4.08	-38.14
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300017791636	0	39	-1.0	-50.49	364.73	4.29	-46.20
C=CC[C@@H](NS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1)C(=O)[O-]	REAL300017791637	0	38	-1.0	-59.49	342.72	3.48	-56.01
C=CC[C@@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300017791638	0	29	-1.0	-55.50	281.89	3.20	-52.30
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017791639	0	32	-1.0	-54.70	294.10	4.31	-50.39
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)S1)C(=O)[O-]	REAL300017791640	0	35	-1.0	-50.26	334.20	3.87	-46.39
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300017791641	0	36	-1.0	-45.00	322.17	5.73	-39.27
C=CC[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300017791642	0	31	-1.0	-48.86	323.47	3.78	-45.08
C=CC[C@@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300017791643	0	39	-1.0	-49.37	330.30	3.96	-45.41
C=CC[C@@H](NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300017791644	0	38	-1.0	-48.57	323.52	3.20	-45.37
C=CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300017791645	0	38	-1.0	-58.12	339.72	1.04	-57.08
C=CC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300017791646	0	32	-1.0	-58.33	323.49	0.03	-58.30
C=CC[C@@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300017791647	0	43	-1.0	-54.36	331.51	4.17	-50.19
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1OC)C(=O)[O-]	REAL300017791648	0	33	-1.0	-53.22	309.49	3.51	-49.71
C=CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300017791649	0	43	-1.0	-52.60	361.94	2.48	-50.12
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300017791650	0	35	-1.0	-51.66	321.78	5.05	-46.61
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300017791651	0	33	-1.0	-52.95	308.03	3.09	-49.86
C=CC[C@@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017791652	0	44	-1.0	-53.87	364.20	6.16	-47.71
C=CC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300017791653	0	40	-1.0	-61.27	335.37	5.62	-55.65
C=CC[C@@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300017791654	0	37	-1.0	-53.42	324.22	3.61	-49.81
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300017791655	0	39	-1.0	-54.80	345.73	4.20	-50.60
C=CC[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300017791656	0	32	-1.0	-53.31	328.62	5.54	-47.77
C=CC[C@@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300017791659	0	39	-1.0	-50.65	349.20	4.73	-45.92
C=CC[C@@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300017791660	0	42	-1.0	-53.52	356.00	4.47	-49.05
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017791661	0	40	-1.0	-51.74	357.19	6.38	-45.36
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300017791662	0	35	-1.0	-50.31	326.23	5.27	-45.04
C=CC[C@@H](NS(=O)(=O)C1=C(Cl)N(CC)N=C1)C(=O)[O-]	REAL300017791663	0	32	-1.0	-51.62	309.19	2.41	-49.21
C=CC[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017791664	0	33	-1.0	-53.42	319.93	5.26	-48.16
C=CC[C@@H](NS(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1)C(=O)[O-]	REAL300017791665	0	35	-1.0	-51.70	354.43	4.76	-46.94
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017791667	0	31	-1.0	-47.43	310.31	2.81	-44.62
C=CC[C@@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017791668	0	34	-1.0	-61.21	326.46	4.74	-56.47
C=CC[C@@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017791669	0	34	-1.0	-56.96	319.99	4.44	-52.52
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300017791670	0	38	-1.0	-57.39	325.68	6.30	-51.09
C=CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300017791671	0	33	-1.0	-56.08	318.65	4.57	-51.51
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300017791672	0	36	-1.0	-55.82	326.70	3.88	-51.94
C=CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300017791673	0	43	-1.0	-52.49	372.92	5.00	-47.49
C=CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017791674	0	29	-1.0	-47.83	296.41	4.14	-43.69
C=CC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C(=O)[O-]	REAL300017791675	0	35	-1.0	-61.00	333.62	-0.14	-61.14
C=CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300017791676	0	39	-1.0	-54.65	339.08	4.86	-49.79
C=CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300017791677	0	35	-1.0	-57.20	341.38	0.97	-56.23
C=CC[C@@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300017791678	0	33	-1.0	-52.40	323.20	5.35	-47.05
C=CC[C@@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300017791679	0	33	-1.0	-52.21	322.96	5.37	-46.84
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300017791680	0	33	-1.0	-54.13	313.13	4.88	-49.25
C=CC[C@@H](NS(=O)(=O)N1CCCCC1C(=O)OC)C(=O)[O-]	REAL300017791681	0	40	-1.0	-57.80	322.14	3.81	-53.99
C=CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300017791682	0	51	-1.0	-55.01	398.48	7.69	-47.32
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017791683	0	32	-1.0	-48.82	314.24	4.33	-44.49
C=CC[C@@H](NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300017791684	0	40	-1.0	-54.18	343.36	4.57	-49.61
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C=CC(=O)OC)C=C1)C(=O)[O-]	REAL300017791685	0	39	-1.0	-55.02	355.41	5.40	-49.62
C=CC[C@@H](NS(=O)(=O)C1=NNC(C(=O)OCC)=C1)C(=O)[O-]	REAL300017791686	0	35	-1.0	-53.47	327.97	1.43	-52.04
C=CC[C@@H](NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300017791687	0	34	-1.0	-55.49	311.16	1.10	-54.39
C=CC[C@@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300017791688	0	41	-1.0	-52.97	328.14	3.96	-49.01
C=CC[C@@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300017791689	0	40	-1.0	-52.93	348.18	5.37	-47.56
C=CC[C@@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300017791690	0	40	-1.0	-59.76	344.29	10.53	-49.23
C=CC[C@@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017791691	0	46	-1.0	-56.18	365.32	9.96	-46.22
C=CC[C@@H](NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300017791692	0	47	-1.0	-53.72	369.56	6.55	-47.17
C=CC[C@@H](NC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C)C(=O)[O-]	REAL300017791693	0	48	-1.0	-58.62	383.62	7.07	-51.55
C=CC[C@@H](NS(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300017791694	0	33	-1.0	-54.39	317.79	4.72	-49.67
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300017791695	0	33	-1.0	-57.18	310.02	3.73	-53.45
C=CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300017791696	0	33	-1.0	-56.09	313.99	3.17	-52.92
C=CC[C@@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300017791697	0	35	-1.0	-51.81	312.71	3.46	-48.35
C=CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300017791698	0	36	-1.0	-56.65	322.53	5.27	-51.38
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300017791699	0	32	-1.0	-52.92	294.64	4.93	-47.99
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300017791700	0	38	-1.0	-51.16	347.43	4.01	-47.15
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017791701	0	26	-1.0	-47.02	294.63	3.64	-43.38
C=CC[C@@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017791702	0	42	-1.0	-51.80	357.12	5.79	-46.01
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300017791703	0	46	-1.0	-52.69	387.18	5.42	-47.27
C=CC[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300017791704	0	32	-1.0	-52.04	323.53	4.88	-47.16
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300017791705	0	34	-1.0	-52.65	320.19	4.15	-48.50
C=CC[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OC)C(=O)[O-]	REAL300017791706	0	37	-1.0	-56.62	317.99	2.55	-54.07
C=CC[C@@H](NS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300017791707	0	26	-1.0	-52.94	276.45	3.12	-49.82
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017791708	0	40	-1.0	-57.23	358.93	6.44	-50.79
C=CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300017791709	0	35	-1.0	-65.30	299.46	4.70	-60.60
C=CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300017791710	0	34	-1.0	-51.54	323.42	2.11	-49.43
C=CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300017791711	0	30	-1.0	-44.38	308.40	2.30	-42.08
C=CC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C=C1C)C(=O)[O-]	REAL300017791712	0	31	-1.0	-51.73	293.29	2.93	-48.80
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(OCC(=C)C)=C1)C(=O)[O-]	REAL300017791713	0	40	-1.0	-53.49	351.87	5.13	-48.36
C=CC[C@@H](NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300017791714	0	39	-1.0	-53.31	345.88	4.16	-49.15
C=CC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300017791715	0	33	-1.0	-63.51	307.78	2.96	-60.55
C=CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300017791716	0	35	-1.0	-52.34	331.14	6.30	-46.04
C=CC[C@@H](NS(=O)(=O)N1CCC(OC(C)=O)C1)C(=O)[O-]	REAL300017791717	0	37	-1.0	-54.33	327.28	2.64	-51.69
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017791718	0	39	-1.0	-51.90	359.46	7.45	-44.45
C=CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300017791719	0	35	-1.0	-50.57	327.83	5.39	-45.18
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300017791720	0	42	-1.0	-49.27	352.10	4.55	-44.72
C=CC[C@@H](NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300017791721	0	43	-1.0	-59.54	373.50	3.90	-55.64
C=CC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300017791722	0	35	-1.0	-54.40	325.90	6.30	-48.10
C=CC[C@@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300017791723	0	37	-1.0	-50.06	317.32	1.15	-48.91
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300017791724	0	35	-1.0	-52.30	333.39	3.35	-48.95
C=CC[C@@H](NS(=O)(=O)N1CCC(COC(C)=O)CC1)C(=O)[O-]	REAL300017791725	0	43	-1.0	-57.14	363.92	4.27	-52.87
C=CC[C@@H](NS(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC)C(=O)[O-]	REAL300017791726	0	43	-1.0	-64.36	375.79	4.15	-60.21
C=CC[C@@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300017791727	0	39	-1.0	-53.76	325.02	1.08	-52.68
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC)N=C1C)C(=O)[O-]	REAL300017791728	0	35	-1.0	-50.41	308.50	0.99	-49.42
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=CN=C1OC)C(=O)[O-]	REAL300017791729	0	35	-1.0	-46.46	314.10	1.39	-45.07
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300017791730	0	44	-1.0	-53.57	370.40	3.90	-49.67
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300017791731	0	32	-1.0	-42.31	309.40	1.24	-41.07
C=CC[C@@H](NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300017791732	0	35	-1.0	-49.65	315.94	0.94	-48.71
C=CC[C@@H](NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300017791733	0	38	-1.0	-54.76	332.33	3.67	-51.09
C=CC[C@@H](NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300017791734	0	38	-1.0	-52.25	328.71	3.15	-49.10
C=CC[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300017791735	0	28	-1.0	-48.83	296.42	1.51	-47.32
C=CC[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017791736	0	33	-1.0	-51.35	332.87	5.68	-45.67
C=CC[C@@H](NS(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300017791737	0	37	-1.0	-48.65	335.38	2.90	-45.75
C=CC[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017791738	0	32	-1.0	-58.37	304.10	5.45	-52.92
C=CC[C@@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300017791739	0	36	-1.0	-51.73	320.53	4.83	-46.90
C=CC[C@@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300017791740	0	38	-1.0	-56.63	328.37	3.24	-53.39
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300017791741	0	36	-1.0	-53.47	328.62	5.70	-47.77
C=CC[C@@H](NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300017791742	0	31	-1.0	-53.62	297.85	2.63	-50.99
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300017791743	0	43	-1.0	-51.85	377.38	7.09	-44.76
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300017791744	0	36	-1.0	-55.04	330.28	5.76	-49.28
C=CC[C@@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C12)C(=O)[O-]	REAL300017791745	0	33	-1.0	-52.50	318.47	3.96	-48.54
C=CC[C@@H](NC(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300017791746	0	31	-1.0	-51.93	280.43	6.27	-45.66
C=CC[C@@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300017791747	0	32	-1.0	-54.65	306.41	4.47	-50.18
C=CC[C@@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300017791748	0	37	-1.0	-58.96	320.50	-0.81	-59.77
C=CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300017791750	0	36	-1.0	-60.36	322.16	5.75	-54.61
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl)C(=O)[O-]	REAL300017791751	0	32	-1.0	-50.93	313.61	5.07	-45.86
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300017791752	0	33	-1.0	-48.99	320.21	3.40	-45.59
C=CC[C@@H](NS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017791753	0	36	-1.0	-54.72	331.19	4.37	-50.35
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300017791754	0	36	-1.0	-61.57	312.25	3.43	-58.14
C=CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300017791755	0	35	-1.0	-42.49	334.75	1.74	-40.75
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300017791756	0	37	-1.0	-53.03	327.26	4.76	-48.27
C=CC[C@@H](NC(=O)N1CC(OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017791757	0	41	-1.0	-54.80	352.65	7.03	-47.77
C=CC[C@@H](NC(=O)N1CC(NC(=O)OC(C)(C)C)C1)C(=O)[O-]	REAL300017791758	0	44	-1.0	-58.48	363.47	3.83	-54.65
C=CC[C@@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300017791759	0	32	-1.0	-50.27	295.05	3.01	-47.26
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300017791761	0	42	-1.0	-46.09	356.30	5.65	-40.44
C=CC[C@@H](NS(=O)(=O)C1=C(C)SC(Cl)=C1)C(=O)[O-]	REAL300017791762	0	29	-1.0	-52.68	292.22	3.89	-48.79
C=CC[C@@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300017791763	0	36	-1.0	-52.46	340.40	4.45	-48.01
CCN1C=C(S(=O)(=O)NC2CCC(C3=CC=C(C)C=C3)CC2)C=C1C(=O)[O-]	REAL300017791764	0	52	-1.0	-55.34	415.50	9.07	-46.27
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CC2)C=C1	REAL300017791765	0	48	-1.0	-53.57	392.28	8.65	-44.92
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)CC2)C=C1	REAL300017791766	0	51	-1.0	-55.34	403.47	9.42	-45.92
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300017791767	0	48	-1.0	-49.71	394.22	8.74	-40.97
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=C(CC(=O)[O-])S3)CC2)C=C1	REAL300017791768	0	48	-1.0	-48.92	406.69	8.62	-40.30
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)CC2)C=C1	REAL300017791769	0	51	-1.0	-58.28	411.15	9.68	-48.60
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)C=C1	REAL300017791770	0	45	-1.0	-50.46	385.32	7.70	-42.76
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)CC2)C=C1	REAL300017791771	0	49	-1.0	-53.35	396.86	8.32	-45.03
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2CCC(C3=CC=C(C)C=C3)CC2)=C1	REAL300017791772	0	48	-1.0	-48.37	396.31	8.60	-39.77
CC1=C(C(=O)[O-])C(S(=O)(=O)NC2CCC(C3=CC=C(C)C=C3)CC2)=C(C)O1	REAL300017791773	0	51	-1.0	-57.94	399.72	9.30	-48.64
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)CC2)C=C1	REAL300017791774	0	51	-1.0	-49.89	402.16	9.40	-40.49
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)CC2)C=C1	REAL300017791775	0	51	-1.0	-49.36	408.28	9.19	-40.17
CC1=C(S(=O)(=O)NC2CCC(C3=CC=C(C)C=C3)CC2)C=C(C(=O)[O-])S1	REAL300017791776	0	48	-1.0	-56.76	405.33	8.72	-48.04
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CSC(C(=O)[O-])=C3)CC2)C=C1	REAL300017791777	0	45	-1.0	-52.26	381.36	8.01	-44.25
CC1=C(S(=O)(=O)NC2CCC(C3=CC=C(C)C=C3)CC2)C=C(C(=O)[O-])O1	REAL300017791778	0	48	-1.0	-53.13	391.49	8.00	-45.13
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)CC2)C=C1	REAL300017791779	0	51	-1.0	-51.08	411.14	9.68	-41.40
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)CC2)C=C1	REAL300017791780	0	48	-1.0	-49.71	393.85	8.95	-40.76
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)CC2)C=C1	REAL300017791781	0	48	-1.0	-51.70	391.93	8.93	-42.77
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=C(O)C(C(=O)[O-])=C3)CC2)C=C1	REAL300017791782	0	49	-1.0	-56.82	401.07	6.70	-50.12
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)CC2)C=C1	REAL300017791783	0	52	-1.0	-51.38	425.70	10.03	-41.35
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)CC2)C=C1	REAL300017791784	0	48	-1.0	-49.21	386.75	8.30	-40.91
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)CC2)C=C1	REAL300017791785	0	51	-1.0	-49.68	416.43	9.51	-40.17
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)CC2)C=C1	REAL300017791786	0	48	-1.0	-46.88	386.75	8.31	-38.57
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])S3)CC2)C=C1	REAL300017791787	0	45	-1.0	-49.22	384.28	7.80	-41.42
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)CC2)C=C1	REAL300017791788	0	51	-1.0	-52.16	414.44	9.41	-42.75
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)CC2)C=C1	REAL300017791789	0	48	-1.0	-56.29	385.09	8.27	-48.02
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)CC2)C=C1	REAL300017791790	1	49	-1.0	-53.98	405.84	6.52	-47.46
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)CC2)C=C1	REAL300017791791	0	47	-1.0	-50.12	388.48	6.73	-43.39
CC1=C(S(=O)(=O)NC2CCC(C3=CC=C(C)C=C3)CC2)C(C(=O)[O-])=NN1	REAL300017791792	0	48	-1.0	-59.16	385.09	6.57	-52.59
CC1=CC=C(C2CCC(NS(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)CC2)C=C1	REAL300017791793	0	45	-1.0	-47.65	375.71	7.05	-40.60
CCC1=C(S(=O)(=O)NC2CCC(C3=CC=C(C)C=C3)CC2)C=C(C(=O)[O-])O1	REAL300017791794	0	51	-1.0	-55.07	417.69	8.61	-46.46
CCN1C=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1C(=O)[O-]	REAL300017791795	0	37	-1.0	-53.56	325.10	5.43	-48.13
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791796	0	42	-1.0	-52.48	342.76	7.06	-45.42
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791797	0	43	-1.0	-60.77	356.22	7.55	-53.22
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791798	0	40	-1.0	-61.40	344.63	6.79	-54.61
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791799	0	33	-1.0	-48.00	306.41	5.70	-42.30
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC=C1Cl	REAL300017791800	0	33	-1.0	-54.03	312.85	5.26	-48.77
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791801	0	33	-1.0	-53.44	296.23	5.20	-48.24
CC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1C(=O)[O-]	REAL300017791802	0	36	-1.0	-51.87	316.38	5.40	-46.47
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1	REAL300017791803	0	33	-1.0	-53.47	296.79	5.29	-48.18
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1C	REAL300017791804	0	39	-1.0	-61.17	332.84	6.32	-54.85
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)S1	REAL300017791805	0	33	-1.0	-49.75	311.03	5.22	-44.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791806	0	36	-1.0	-61.00	316.06	5.81	-55.19
O=C([O-])C1=CSC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791807	0	30	-1.0	-57.06	289.64	4.30	-52.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791808	0	39	-1.0	-52.66	324.54	6.84	-45.82
CN1C=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1C(=O)[O-]	REAL300017791809	0	34	-1.0	-51.74	307.12	4.19	-47.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791810	0	33	-1.0	-52.67	310.28	4.52	-48.15
CC1=C(C(=O)[O-])C(S(=O)(=O)NC2CCC3C2C3(F)F)=C(C)O1	REAL300017791811	0	36	-1.0	-53.91	312.75	5.26	-48.65
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C(Cl)C=C1F	REAL300017791812	0	33	-1.0	-52.26	318.85	5.51	-46.75
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791813	0	36	-1.0	-47.99	309.96	5.63	-42.36
CCC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1C(=O)[O-]	REAL300017791814	0	39	-1.0	-57.49	334.97	6.00	-51.49
CC1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC=C1C(=O)[O-]	REAL300017791815	0	36	-1.0	-48.83	316.38	5.41	-43.42
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C(Br)=C1	REAL300017791816	0	33	-1.0	-45.80	317.66	5.65	-40.15
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1C(F)(F)F	REAL300017791817	0	36	-1.0	-48.93	330.46	5.68	-43.25
CC1=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C(C(=O)[O-])S1	REAL300017791818	0	33	-1.0	-52.14	301.04	5.02	-47.12
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791819	0	36	-1.0	-53.94	321.88	5.74	-48.20
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC=C1Br	REAL300017791820	0	33	-1.0	-53.14	316.59	5.36	-47.78
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1	REAL300017791821	0	40	-1.0	-48.40	353.27	3.87	-44.53
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791822	0	41	-1.0	-56.24	346.12	5.91	-50.33
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791823	0	40	-1.0	-50.67	343.17	5.97	-44.70
COC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1CC(=O)[O-]	REAL300017791824	0	40	-1.0	-57.99	346.70	5.33	-52.66
CC1=CC(C)=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1C(=O)[O-]	REAL300017791825	0	39	-1.0	-59.69	331.82	6.32	-53.37
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791826	0	37	-1.0	-54.28	315.72	3.99	-50.29
COC1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC(C(=O)[O-])=C1OC	REAL300017791827	0	41	-1.0	-54.26	358.62	4.67	-49.59
CCOC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1C(=O)[O-]	REAL300017791828	0	40	-1.0	-60.75	349.86	5.79	-54.96
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CS1	REAL300017791829	0	30	-1.0	-50.99	292.00	3.89	-47.10
CC1=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C(C(=O)[O-])O1	REAL300017791830	0	33	-1.0	-51.49	297.55	4.21	-47.28
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC2=C1OCCO2	REAL300017791831	0	39	-1.0	-57.36	338.98	5.06	-52.30
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1F	REAL300017791832	0	43	-1.0	-53.24	380.09	6.12	-47.12
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1Cl	REAL300017791833	0	37	-1.0	-49.84	347.40	5.69	-44.15
CC1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC=C1OCC(=O)[O-]	REAL300017791834	0	40	-1.0	-49.99	351.50	5.86	-44.13
CC1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC=C1OCCCC(=O)[O-]	REAL300017791835	0	46	-1.0	-51.32	393.94	6.79	-44.53
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC(Cl)=C1Cl	REAL300017791836	0	33	-1.0	-49.08	328.00	5.72	-43.36
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791837	0	33	-1.0	-47.89	330.07	5.90	-41.99
CC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C(C)=C1C(=O)[O-]	REAL300017791838	0	39	-1.0	-51.73	334.48	6.38	-45.35
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791839	0	36	-1.0	-51.81	316.72	5.70	-46.11
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791840	0	33	-1.0	-47.22	321.62	5.48	-41.74
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791841	0	33	-1.0	-47.05	306.73	4.93	-42.12
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C(Cl)=C1	REAL300017791842	0	33	-1.0	-45.75	314.32	5.48	-40.27
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1F	REAL300017791843	0	33	-1.0	-52.19	300.74	5.24	-46.95
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791844	0	36	-1.0	-54.68	330.75	6.12	-48.56
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC(Cl)=C1F	REAL300017791845	0	33	-1.0	-51.96	321.03	5.40	-46.56
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC(F)=C1Cl	REAL300017791846	0	33	-1.0	-48.90	318.68	5.31	-43.59
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1F	REAL300017791847	0	36	-1.0	-49.84	314.18	5.10	-44.74
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C(Cl)C=C1Cl	REAL300017791848	0	33	-1.0	-49.44	327.28	5.83	-43.61
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791849	0	37	-1.0	-54.00	320.87	5.21	-48.79
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC=C1O	REAL300017791850	0	34	-1.0	-59.56	309.52	2.86	-56.70
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1	REAL300017791851	0	37	-1.0	-53.21	328.26	6.58	-46.63
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791852	0	33	-1.0	-47.75	308.60	5.84	-41.91
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1	REAL300017791853	0	39	-1.0	-49.63	343.95	6.46	-43.17
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791854	0	33	-1.0	-48.78	298.35	5.25	-43.53
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1	REAL300017791855	0	36	-1.0	-50.39	322.55	5.65	-44.74
COC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1C(=O)[O-]	REAL300017791856	0	37	-1.0	-61.73	327.63	4.92	-56.81
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1	REAL300017791857	0	37	-1.0	-49.71	331.42	5.15	-44.56
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1F	REAL300017791858	0	37	-1.0	-51.73	337.60	5.21	-46.52
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C(F)=C1	REAL300017791859	0	33	-1.0	-46.90	293.68	4.46	-42.44
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1Cl	REAL300017791860	0	33	-1.0	-48.68	308.71	5.60	-43.08
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791861	0	36	-1.0	-55.86	313.35	5.10	-50.76
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1	REAL300017791862	0	41	-1.0	-51.43	360.54	6.70	-44.73
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791863	0	33	-1.0	-44.40	300.00	4.52	-39.88
CC1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC(C(=O)[O-])=C1C	REAL300017791864	0	39	-1.0	-54.10	337.78	6.06	-48.04
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791865	0	35	-1.0	-45.96	325.00	5.95	-40.01
COC1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C(Cl)C=C1C(=O)[O-]	REAL300017791866	0	37	-1.0	-54.19	342.00	5.52	-48.67
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1Br	REAL300017791867	0	33	-1.0	-47.86	312.45	5.70	-42.16
CC1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC(C(=O)[O-])=C1F	REAL300017791868	0	36	-1.0	-64.53	321.64	5.94	-58.59
CC1=CC(F)=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1C(=O)[O-]	REAL300017791869	0	36	-1.0	-50.64	312.85	5.09	-45.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1Cl	REAL300017791870	0	36	-1.0	-52.89	333.63	6.02	-46.87
CC1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC(C(=O)[O-])=C1Cl	REAL300017791871	0	36	-1.0	-60.96	328.03	6.24	-54.72
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791872	0	36	-1.0	-43.81	326.84	6.14	-37.67
COC1=CC(Cl)=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1C(=O)[O-]	REAL300017791873	0	37	-1.0	-57.60	341.94	5.51	-52.09
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)C([N+](=O)[O-])=C1	REAL300017791874	0	35	-1.0	-43.36	318.75	6.37	-36.99
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3C2C3(F)F)S1	REAL300017791875	0	30	-1.0	-50.33	288.71	4.40	-45.93
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791876	0	36	-1.0	-54.26	318.41	5.97	-48.29
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC=C1[N+](=O)[O-]	REAL300017791877	0	35	-1.0	-60.81	324.94	5.92	-54.89
CC1=CC(C)=C(S(=O)(=O)NC2CCC3C2C3(F)F)C(C)=C1CC(=O)[O-]	REAL300017791878	0	45	-1.0	-58.35	350.11	7.64	-50.71
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1[N+](=O)[O-]	REAL300017791879	0	35	-1.0	-54.34	324.51	6.83	-47.51
CC(C)(C)C1=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C(C(=O)[O-])S1	REAL300017791880	0	42	-1.0	-53.96	342.81	6.77	-47.19
CC1=C(Cl)C=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1C(=O)[O-]	REAL300017791881	0	36	-1.0	-50.61	334.07	5.93	-44.68
CC1=C(F)C=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C1C(=O)[O-]	REAL300017791882	0	36	-1.0	-50.08	325.27	5.53	-44.55
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC2=CC=CC=C21	REAL300017791883	0	39	-1.0	-61.45	341.40	7.00	-54.45
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C(F)C(F)=C1F	REAL300017791884	1	33	-1.0	-45.14	305.32	5.20	-39.94
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1OC	REAL300017791885	0	44	-1.0	-52.01	380.89	5.48	-46.53
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791886	0	37	-1.0	-49.20	315.42	5.08	-44.12
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1F	REAL300017791887	0	33	-1.0	-55.91	291.95	4.43	-51.48
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791889	0	37	-1.0	-50.42	330.25	4.00	-46.42
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791890	1	34	-1.0	-52.21	301.75	3.17	-49.04
O=C([O-])C1=CC=NC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791891	0	32	-1.0	-52.62	296.90	2.92	-49.70
CC1=C(S(=O)(=O)NC2CCC3C2C3(F)F)C(C(=O)[O-])=NN1	REAL300017791892	0	33	-1.0	-63.34	291.09	2.59	-60.75
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2C1C2(F)F	REAL300017791893	0	36	-1.0	-53.86	311.47	5.98	-47.88
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C(Cl)O1	REAL300017791894	0	30	-1.0	-48.34	301.52	3.86	-44.48
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=C1F	REAL300017791895	0	33	-1.0	-57.45	296.48	4.46	-52.99
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC(F)=C1F	REAL300017791896	0	33	-1.0	-52.09	311.14	4.96	-47.13
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3CCC4C3C4(F)F)C=C2C1	REAL300017791897	0	40	-1.0	-49.56	345.42	6.76	-42.80
CCC1=C(S(=O)(=O)NC2CCC3C2C3(F)F)C=C(C(=O)[O-])O1	REAL300017791898	0	36	-1.0	-55.53	325.59	4.81	-50.72
CCN1C=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017791899	0	46	-1.0	-55.51	374.71	2.54	-52.97
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791900	0	51	-1.0	-56.23	399.08	4.39	-51.84
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C1	REAL300017791901	0	52	-1.0	-59.58	400.32	4.89	-54.69
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C1	REAL300017791902	0	49	-1.0	-60.80	386.06	4.13	-56.67
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C1	REAL300017791903	0	42	-1.0	-49.65	348.12	2.39	-47.26
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017791904	0	42	-1.0	-53.41	358.98	2.72	-50.69
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300017791905	0	42	-1.0	-53.20	346.61	2.30	-50.90
CC1=CC=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017791906	0	45	-1.0	-55.32	362.53	2.89	-52.43
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300017791907	0	42	-1.0	-50.35	345.10	2.35	-48.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=C1C	REAL300017791908	0	48	-1.0	-61.17	369.99	3.60	-57.57
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])S2)C1	REAL300017791909	0	42	-1.0	-49.74	361.27	2.26	-47.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791910	0	45	-1.0	-58.61	360.83	3.23	-55.38
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300017791911	0	39	-1.0	-50.29	339.89	1.34	-48.95
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791912	0	48	-1.0	-58.70	379.95	3.77	-54.93
CN1C=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017791913	0	43	-1.0	-52.91	353.10	1.68	-51.23
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=C1	REAL300017791914	0	42	-1.0	-49.71	355.80	2.01	-47.70
CC1=C(C(=O)[O-])C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=C(C)O1	REAL300017791915	0	45	-1.0	-59.80	360.69	2.71	-57.09
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C1	REAL300017791916	0	42	-1.0	-49.94	352.70	2.42	-47.52
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791917	0	45	-1.0	-48.52	355.64	3.08	-45.44
CCC1=CC=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017791918	0	48	-1.0	-55.06	380.75	3.53	-51.53
CC1=CC(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=CC=C1C(=O)[O-]	REAL300017791919	0	45	-1.0	-49.46	362.12	2.86	-46.60
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C1	REAL300017791920	0	45	-1.0	-48.81	376.73	3.12	-45.69
CC1=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C(C(=O)[O-])S1	REAL300017791921	0	42	-1.0	-57.35	352.68	2.12	-55.23
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791922	0	45	-1.0	-52.31	364.55	3.18	-49.13
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300017791923	0	49	-1.0	-46.87	401.59	0.93	-45.94
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791924	0	50	-1.0	-56.11	398.12	3.45	-52.66
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791925	0	49	-1.0	-52.54	388.95	2.94	-49.60
COC1=CC=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C1CC(=O)[O-]	REAL300017791926	0	49	-1.0	-57.80	396.93	2.46	-55.34
CC1=CC(C)=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017791927	0	48	-1.0	-59.66	380.24	3.84	-55.82
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791928	0	46	-1.0	-60.88	360.21	1.15	-59.73
COC1=CC(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=CC(C(=O)[O-])=C1OC	REAL300017791929	0	50	-1.0	-54.88	404.91	2.09	-52.79
CCOC1=CC=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017791930	0	49	-1.0	-61.77	395.60	3.31	-58.46
CC1(C)CC(CO)(CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1	REAL300017791931	0	39	-1.0	-51.78	338.10	1.35	-50.43
CC1=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C(C(=O)[O-])O1	REAL300017791932	0	42	-1.0	-55.69	351.10	1.41	-54.28
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C1	REAL300017791933	0	48	-1.0	-59.24	388.87	2.09	-57.15
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300017791934	0	46	-1.0	-50.09	393.80	3.14	-46.95
CC1=CC(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=CC=C1OCC(=O)[O-]	REAL300017791935	0	49	-1.0	-49.84	397.85	3.31	-46.53
CC1=CC(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=CC=C1OCCCC(=O)[O-]	REAL300017791936	0	55	-1.0	-51.04	440.31	4.24	-46.80
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017791937	0	42	-1.0	-46.61	374.26	3.12	-43.49
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C1	REAL300017791938	0	42	-1.0	-45.37	363.44	2.83	-42.54
CC1=CC=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C(C)=C1C(=O)[O-]	REAL300017791939	0	48	-1.0	-53.91	378.93	3.86	-50.05
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791940	0	45	-1.0	-51.09	359.23	3.13	-47.96
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C1	REAL300017791941	0	42	-1.0	-49.51	352.99	2.35	-47.16
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300017791942	0	42	-1.0	-46.89	348.21	2.36	-44.53
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300017791943	0	42	-1.0	-51.61	351.23	2.36	-49.25
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791944	0	45	-1.0	-52.94	373.35	3.57	-49.37
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C1	REAL300017791945	0	42	-1.0	-49.44	367.29	2.81	-46.63
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017791946	0	42	-1.0	-46.54	364.94	2.72	-43.82
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=C1F	REAL300017791947	0	45	-1.0	-49.93	365.15	2.70	-47.23
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C1	REAL300017791948	0	42	-1.0	-47.19	360.63	2.76	-44.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791949	0	46	-1.0	-56.10	366.65	2.16	-53.94
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)C1	REAL300017791950	0	43	-1.0	-56.75	355.27	0.38	-56.37
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300017791951	0	46	-1.0	-51.73	376.58	3.64	-48.09
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300017791952	0	48	-1.0	-49.19	388.68	3.93	-45.26
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300017791953	0	42	-1.0	-49.53	344.48	2.09	-47.44
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300017791954	0	45	-1.0	-50.10	367.29	3.12	-46.98
COC1=CC=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017791955	0	46	-1.0	-58.87	373.74	2.40	-56.47
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300017791956	0	46	-1.0	-49.67	376.20	2.62	-47.05
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C1	REAL300017791957	0	46	-1.0	-52.02	384.00	2.67	-49.35
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300017791958	0	42	-1.0	-47.05	344.85	2.07	-44.98
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300017791959	0	42	-1.0	-48.18	359.20	2.72	-45.46
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=C1	REAL300017791960	0	45	-1.0	-57.14	364.45	2.69	-54.45
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C1	REAL300017791961	0	50	-1.0	-49.73	408.86	3.76	-45.97
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300017791962	0	42	-1.0	-44.22	351.20	2.13	-42.09
CC1=CC(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=CC(C(=O)[O-])=C1C	REAL300017791963	0	48	-1.0	-53.59	378.19	3.40	-50.19
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300017791964	0	44	-1.0	-45.10	374.77	2.95	-42.15
COC1=CC(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=C(Cl)C=C1C(=O)[O-]	REAL300017791965	0	46	-1.0	-51.88	375.42	2.44	-49.44
CC1=CC(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=CC(C(=O)[O-])=C1F	REAL300017791966	0	45	-1.0	-57.52	371.53	2.97	-54.55
CC1=CC(F)=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017791967	0	45	-1.0	-50.98	363.10	2.70	-48.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=C1Cl	REAL300017791968	0	45	-1.0	-50.41	366.93	2.95	-47.46
CC1=CC(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=CC(C(=O)[O-])=C1Cl	REAL300017791969	0	45	-1.0	-54.26	377.93	3.28	-50.98
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791970	0	45	-1.0	-43.99	368.81	3.51	-40.48
COC1=CC(Cl)=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017791971	0	46	-1.0	-55.15	375.41	2.46	-52.69
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C1	REAL300017791972	0	44	-1.0	-43.85	358.41	3.51	-40.34
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300017791973	0	39	-1.0	-49.31	338.96	1.45	-47.86
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300017791974	0	45	-1.0	-52.61	368.78	3.08	-49.53
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C1	REAL300017791975	0	44	-1.0	-62.46	372.63	3.39	-59.07
CC1=CC(C)=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C(C)=C1CC(=O)[O-]	REAL300017791976	0	54	-1.0	-52.42	407.14	4.98	-47.44
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C1	REAL300017791977	0	44	-1.0	-57.02	368.29	4.11	-52.91
CC(C)(C)C1=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C(C(=O)[O-])S1	REAL300017791978	0	51	-1.0	-52.02	394.79	4.14	-47.88
CC1=C(Cl)C=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017791979	0	45	-1.0	-48.88	379.87	3.38	-45.50
CC1=C(F)C=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017791980	0	45	-1.0	-48.45	371.48	3.00	-45.45
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C1	REAL300017791981	0	48	-1.0	-61.25	387.70	4.44	-56.81
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C1	REAL300017791982	0	42	-1.0	-45.07	355.53	2.14	-42.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791983	0	46	-1.0	-49.79	367.08	2.15	-47.64
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C1	REAL300017791984	0	42	-1.0	-57.04	343.07	2.03	-55.01
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)=C1	REAL300017791986	0	46	-1.0	-53.43	367.85	1.31	-52.12
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C1	REAL300017791987	1	43	-1.0	-54.52	355.72	0.21	-54.31
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300017791988	0	41	-1.0	-51.65	343.69	0.38	-51.27
CC1=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C(C(=O)[O-])=NN1	REAL300017791989	0	42	-1.0	-63.27	337.64	0.13	-63.14
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(CO)CC(C)(C)C1	REAL300017791990	0	45	-1.0	-60.51	356.56	3.06	-57.45
CC1(C)CC(CO)(CNS(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C1	REAL300017791991	0	39	-1.0	-47.52	336.66	0.96	-46.56
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)C1	REAL300017791992	0	42	-1.0	-58.13	347.22	2.09	-56.04
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C1	REAL300017791993	0	42	-1.0	-49.57	357.40	2.37	-47.20
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C1	REAL300017791994	0	49	-1.0	-49.86	391.78	4.19	-45.67
CCC1=C(S(=O)(=O)NCC2(CO)CC(C)(C)C2)C=C(C(=O)[O-])O1	REAL300017791995	0	45	-1.0	-55.48	369.90	2.14	-53.34
CCN1C=C(S(=O)(=O)NC(CF)C2=CC=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300017791996	0	39	-1.0	-55.37	353.41	6.23	-49.14
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CF)C1=CC=CC(Cl)=C1	REAL300017791997	0	44	-1.0	-59.82	379.47	8.18	-51.64
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC(CF)C2=CC=CC(Cl)=C2)=C1	REAL300017791998	0	42	-1.0	-62.40	372.20	8.15	-54.25
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC(CF)C2=CC=CC(Cl)=C2)=C1	REAL300017791999	0	35	-1.0	-52.21	345.12	7.11	-45.10
O=C([O-])C1=CC(S(=O)(=O)NC(CF)C2=CC=CC(Cl)=C2)=CC=C1Cl	REAL300017792000	0	35	-1.0	-53.45	342.70	6.92	-46.53
CC1=C(Br)C=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017805550	0	31	-1.0	-50.86	313.86	4.74	-46.12
COC(=O)C1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC(F)=C1F	REAL300017805551	0	32	-1.0	-48.74	314.69	3.67	-45.07
C[C@H](ONS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300017805552	0	38	-1.0	-51.53	333.45	4.39	-47.14
C[C@H](ONS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300017805553	0	44	-1.0	-48.06	336.28	4.63	-43.43
CC1=NC2=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=CC=C2C=C1	REAL300017805554	0	34	-1.0	-56.87	300.73	4.29	-52.58
C[C@H](ONS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805555	0	34	-1.0	-62.48	314.05	4.87	-57.61
C[C@H](ONS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300017805556	0	37	-1.0	-52.28	326.23	1.48	-50.80
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805557	0	40	-1.0	-52.23	361.05	4.31	-47.92
C[C@H](ONS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017805558	0	27	-1.0	-47.75	291.76	3.85	-43.90
CC1=CSC(C2=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C2)=N1	REAL300017805559	0	35	-1.0	-52.15	335.31	4.40	-47.75
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1F	REAL300017805560	1	32	-1.0	-58.04	321.16	4.07	-53.97
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805561	0	35	-1.0	-52.99	326.36	4.23	-48.76
CC1=C(Br)C=CC=C1CS(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805562	0	32	-1.0	-49.60	306.92	4.78	-44.82
C[C@H](ONS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017805563	0	29	-1.0	-50.77	293.08	4.21	-46.56
C[C@H](ONS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300017805564	0	26	-1.0	-46.30	287.10	4.06	-42.24
CC1=CC(C(N)=O)=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805565	0	33	-1.0	-63.04	305.17	0.37	-62.67
CCCCCCCCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805566	0	51	-1.0	-48.84	429.58	7.87	-40.97
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805567	0	41	-1.0	-52.77	358.94	5.27	-47.50
C[C@H](ONS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300017805568	0	26	-1.0	-43.24	290.47	4.46	-38.78
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805569	0	36	-1.0	-46.96	331.62	5.33	-41.63
C[C@H](ONS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017805570	0	32	-1.0	-53.05	307.39	4.86	-48.19
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805571	0	30	-1.0	-45.57	300.60	3.89	-41.68
COC1=CC2=C(C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(=O)NCCC2	REAL300017805572	0	41	-1.0	-54.69	349.83	2.32	-52.37
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])S2)C1	REAL300017805573	0	37	-1.0	-55.93	340.32	3.46	-52.47
CC1=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017805574	0	33	-1.0	-51.32	322.50	5.47	-45.85
C[C@H](ONS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300017805575	1	30	-1.0	-52.13	302.05	0.36	-51.77
C[C@H](ONS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017805576	0	29	-1.0	-50.23	296.30	4.33	-45.90
CCC(C)OC1=CC=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805577	0	39	-1.0	-49.49	339.29	4.59	-44.90
C[C@H](ONS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C(=O)[O-]	REAL300017805578	0	33	-1.0	-51.74	314.33	4.62	-47.12
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C2)=N1	REAL300017805579	0	38	-1.0	-48.74	335.03	2.71	-46.03
COC(=O)C1=C(C)C=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])O1	REAL300017805580	1	32	-1.0	-53.21	306.51	2.31	-50.90
CCC1=NC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CN1CC1CC1	REAL300017805581	0	39	-1.0	-60.40	347.95	4.89	-55.51
CC(=O)N1CC2=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C2C1	REAL300017805582	0	37	-1.0	-60.03	332.86	3.44	-56.59
C[C@H](ONS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300017805583	0	29	-1.0	-60.78	298.71	2.74	-58.04
CCCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300017805584	0	45	-1.0	-48.74	380.53	5.98	-42.76
CC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017805585	0	34	-1.0	-48.70	313.06	5.25	-43.45
C[C@H](ONS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300017805586	0	39	-1.0	-48.52	350.68	5.19	-43.33
C[C@H](ONS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300017805587	0	40	-1.0	-48.90	366.73	6.29	-42.61
COC(CS(=O)(=O)NO[C@@H](C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300017805588	0	36	-1.0	-52.38	332.29	3.69	-48.69
C[C@H](ONS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300017805589	0	38	-1.0	-52.87	333.31	4.39	-48.48
COC(=O)NC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1Cl	REAL300017805590	0	34	-1.0	-51.08	331.15	1.83	-49.25
COC(=O)C1=CC=CC2=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=CC=C12	REAL300017805591	0	38	-1.0	-48.74	334.40	5.61	-43.13
COC(=O)NC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C	REAL300017805592	0	37	-1.0	-51.46	333.80	2.02	-49.44
C[C@H](ONS(=O)(=O)CC1(C(F)F)CCCC1)C(=O)[O-]	REAL300017805593	0	35	-1.0	-50.57	295.66	4.31	-46.26
CCOC1(CS(=O)(=O)NO[C@@H](C)C(=O)[O-])CCOCC1	REAL300017805594	0	40	-1.0	-50.91	327.04	1.71	-49.20
COC(=O)C1=CC(F)=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1F	REAL300017805595	1	32	-1.0	-58.11	310.83	3.63	-54.48
CC(=O)N1CCC2=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C(Cl)C=C21	REAL300017805596	0	37	-1.0	-62.90	336.55	4.50	-58.40
C[C@H](ONS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300017805597	0	29	-1.0	-47.20	290.05	1.45	-45.75
C[C@H](ONS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017805598	0	37	-1.0	-53.90	349.71	7.03	-46.87
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805599	0	29	-1.0	-49.18	291.83	4.33	-44.85
CC1=CC=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1Br	REAL300017805600	0	29	-1.0	-50.39	276.78	4.06	-46.33
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805601	0	32	-1.0	-52.05	306.85	4.06	-47.99
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300017805602	0	44	-1.0	-53.73	389.91	1.66	-52.07
C[C@H](ONS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300017805603	0	34	-1.0	-48.88	307.29	0.68	-48.20
COC1=CC(Br)=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805604	0	30	-1.0	-48.99	299.87	2.85	-46.14
COC1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017805605	0	32	-1.0	-49.23	304.78	3.68	-45.55
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805606	0	32	-1.0	-44.47	295.98	4.60	-39.87
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805607	0	39	-1.0	-47.64	339.26	4.46	-43.18
C[C@H](ONS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300017805608	0	33	-1.0	-52.18	313.60	3.49	-48.69
CCCCCCCCN1N=C(C)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1C	REAL300017805609	0	53	-1.0	-47.65	436.61	7.49	-40.16
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1F	REAL300017805610	0	40	-1.0	-50.30	369.56	1.35	-48.95
C[C@H](ONS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017805611	0	34	-1.0	-53.69	322.93	5.15	-48.54
C[C@H](ONS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300017805612	0	26	-1.0	-49.01	276.27	3.60	-45.41
C[C@H](ONS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300017805613	0	33	-1.0	-59.77	313.72	0.81	-58.96
CCN1C(=O)OC2=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C21	REAL300017805614	0	35	-1.0	-57.33	325.17	3.89	-53.44
CC1=C(Br)C=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805615	0	29	-1.0	-48.34	275.38	4.12	-44.22
COC1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300017805616	0	30	-1.0	-48.27	299.00	2.90	-45.37
C[C@H](ONS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017805617	0	29	-1.0	-52.91	312.65	-0.03	-52.94
C[C@H](ONS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300017805618	0	29	-1.0	-56.20	293.20	2.01	-54.19
C[C@H](ONS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300017805619	0	37	-1.0	-49.87	326.69	4.19	-45.68
C[C@H](ONS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017805620	0	34	-1.0	-51.69	328.04	-0.29	-51.98
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])S1	REAL300017805621	0	40	-1.0	-56.84	384.39	0.56	-56.28
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300017805622	0	41	-1.0	-53.90	368.59	0.87	-53.03
C[C@H](ONS(=O)(=O)C1=CC=C(CCNC(=O)C(C)(C)C)S1)C(=O)[O-]	REAL300017805623	0	45	-1.0	-57.31	403.92	3.91	-53.40
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1F	REAL300017805624	0	40	-1.0	-50.73	371.17	1.39	-49.34
C[C@H](ONS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300017805625	0	41	-1.0	-67.70	346.64	4.57	-63.13
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1F	REAL300017805626	0	37	-1.0	-50.78	349.67	0.60	-50.18
CCC(=O)NCC1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C1OC	REAL300017805627	0	43	-1.0	-52.43	380.15	2.09	-50.34
COC1=CC=C(Br)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805628	0	30	-1.0	-48.87	288.12	2.80	-46.07
C[C@H](ONS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300017805629	0	41	-1.0	-55.09	362.99	3.37	-51.72
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805630	0	35	-1.0	-55.04	331.24	1.35	-53.69
C[C@H](ONS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300017805631	0	28	-1.0	-48.11	297.52	2.84	-45.27
CC(=O)C1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300017805632	0	31	-1.0	-47.77	306.82	3.97	-43.80
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805633	0	31	-1.0	-53.31	296.56	3.77	-49.54
C[C@H](ONS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300017805634	0	27	-1.0	-48.66	291.37	3.94	-44.72
CCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1Br	REAL300017805635	0	33	-1.0	-47.35	320.85	3.83	-43.52
C[C@H](ONS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017805636	0	40	-1.0	-54.31	366.70	2.41	-51.90
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805637	0	39	-1.0	-51.09	360.06	4.53	-46.56
C[C@H](ONS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300017805638	1	26	-1.0	-45.16	282.83	4.45	-40.71
COC1=C(C)C=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C	REAL300017805639	0	36	-1.0	-50.10	322.83	3.82	-46.28
CC(C)CCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805640	0	42	-1.0	-48.91	361.15	5.27	-43.64
C[C@H](ONS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300017805641	0	40	-1.0	-48.96	343.72	5.15	-43.81
CC(C)COC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805642	0	39	-1.0	-48.97	342.19	4.66	-44.31
CCCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805643	0	36	-1.0	-49.02	322.09	3.97	-45.05
COC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1Cl	REAL300017805644	0	30	-1.0	-47.66	294.60	2.79	-44.87
C[C@H](ONS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017805645	0	30	-1.0	-49.68	304.36	3.06	-46.62
CC1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C1OC(C)C	REAL300017805646	0	39	-1.0	-49.30	338.42	4.52	-44.78
COCCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805647	0	37	-1.0	-50.83	334.21	2.44	-48.39
COCCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C	REAL300017805648	0	40	-1.0	-50.87	354.30	3.17	-47.70
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805649	0	37	-1.0	-53.56	340.00	2.60	-50.96
C[C@H](ONS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300017805650	0	41	-1.0	-50.98	353.92	2.37	-48.61
C[C@H](ONS(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017805651	0	36	-1.0	-53.72	321.21	2.78	-50.94
CC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(Br)=C1	REAL300017805652	0	29	-1.0	-49.82	279.99	4.16	-45.66
C[C@H](ONS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300017805653	0	32	-1.0	-55.62	316.87	0.90	-54.72
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805654	0	32	-1.0	-52.36	309.81	4.78	-47.58
C[C@H](ONS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300017805655	0	27	-1.0	-46.04	285.47	3.74	-42.30
CC1=CC(Br)=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805656	0	29	-1.0	-45.13	278.53	4.21	-40.92
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1C	REAL300017805657	0	34	-1.0	-52.01	298.35	5.67	-46.34
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805658	0	32	-1.0	-49.66	310.87	4.03	-45.63
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805659	0	35	-1.0	-53.48	317.94	1.12	-52.36
C[C@H](ONS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300017805660	0	30	-1.0	-47.03	292.62	4.52	-42.51
C[C@H](ONS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300017805661	0	27	-1.0	-51.54	285.49	3.74	-47.80
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805662	0	42	-1.0	-51.17	361.47	4.70	-46.47
C[C@H](ONS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300017805663	0	38	-1.0	-53.37	358.08	0.78	-52.59
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805664	0	34	-1.0	-53.99	325.86	-0.89	-54.88
CC(=O)NCCC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])S1	REAL300017805665	0	36	-1.0	-58.09	345.36	1.86	-56.23
C[C@H](ONS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300017805667	0	29	-1.0	-49.33	306.68	4.72	-44.61
CCOC(=O)C1=C(C)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C(C)N1	REAL300017805668	0	39	-1.0	-55.70	344.99	3.60	-52.10
C[C@H](ONS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017805669	1	26	-1.0	-53.76	268.90	3.88	-49.88
CC1=NC(C2=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])S2)=CS1	REAL300017805670	0	32	-1.0	-51.27	328.52	3.49	-47.78
C[C@H](ONS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300017805671	0	46	-1.0	-48.88	383.82	6.56	-42.32
C[C@H](ONS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017805672	0	36	-1.0	-52.13	346.50	2.51	-49.62
COC(=O)C1=CC=C(C)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805673	0	35	-1.0	-47.99	311.95	4.26	-43.73
C[C@H](ONS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805674	0	28	-1.0	-48.21	283.34	4.76	-43.45
COC1=CC(F)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1OC	REAL300017805675	0	34	-1.0	-52.55	310.02	2.16	-50.39
COC1=CC(C)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1OC	REAL300017805676	0	37	-1.0	-47.68	315.75	2.80	-44.88
CC1=CC2=CC=CN=C2C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805678	0	34	-1.0	-57.84	306.65	4.57	-53.27
C[C@H](ONS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300017805679	0	29	-1.0	-57.49	288.59	3.84	-53.65
CCOC(=O)C1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(Br)=C1	REAL300017805680	0	35	-1.0	-50.19	335.14	5.08	-45.11
CCOC(=O)C1CCCN1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805681	0	37	-1.0	-54.65	324.65	3.68	-50.97
CNC(=O)C1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CN1C	REAL300017805682	0	34	-1.0	-52.33	313.44	0.58	-51.75
COC1=CC(C)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(C)=C1	REAL300017805683	0	36	-1.0	-49.69	307.48	3.88	-45.81
C[C@H](ONS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2)C(=O)[O-]	REAL300017805684	0	32	-1.0	-48.52	309.22	0.73	-47.79
C[C@H](ONS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300017805685	0	34	-1.0	-51.37	315.92	2.56	-48.81
COC(=O)C1=CC=C(CS(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805686	0	35	-1.0	-53.76	327.84	4.36	-49.40
COC(=O)C1CCN(S(=O)(=O)NO[C@@H](C)C(=O)[O-])CC1	REAL300017805687	0	37	-1.0	-52.11	322.27	2.76	-49.35
C[C@H](ONS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300017805688	0	37	-1.0	-51.32	324.82	3.06	-48.26
COC(=O)C1=CC=CC(CS(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805689	0	35	-1.0	-58.91	328.02	4.36	-54.55
CCOC(=O)C1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])O1	REAL300017805690	1	32	-1.0	-53.24	310.65	2.66	-50.58
COC(=O)CCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805691	0	39	-1.0	-53.86	356.05	4.01	-49.85
COC1=CC(C)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C	REAL300017805692	0	36	-1.0	-47.19	306.77	3.63	-43.56
C[C@H](ONS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300017805693	0	30	-1.0	-62.61	287.44	3.30	-59.31
C[C@H](ONS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017805694	1	29	-1.0	-50.96	287.01	4.92	-46.04
C[C@H](ONS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805695	0	28	-1.0	-47.97	287.91	4.87	-43.10
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805696	0	31	-1.0	-52.61	281.50	5.14	-47.47
C[C@H](ONS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300017805697	0	28	-1.0	-46.59	286.89	4.16	-42.43
C[C@H](ONS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017805698	1	23	-1.0	-48.72	261.55	2.48	-46.24
C[C@H](ONS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300017805699	0	30	-1.0	-51.67	280.74	3.21	-48.46
CC1=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300017805700	0	34	-1.0	-51.82	299.13	4.31	-47.51
C[C@H](ONS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300017805701	0	34	-1.0	-56.05	311.31	2.14	-53.91
C[C@H](ONS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017805702	1	25	-1.0	-47.36	272.66	2.12	-45.24
C[C@H](ONS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300017805703	0	28	-1.0	-51.45	279.73	3.63	-47.82
C[C@H](ONS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017805704	0	28	-1.0	-49.19	293.66	4.06	-45.13
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805705	0	35	-1.0	-56.55	329.10	1.46	-55.09
CCN1C=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017805706	1	31	-1.0	-64.21	292.96	3.81	-60.40
C[C@H](ONS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805707	1	28	-1.0	-51.65	281.35	4.19	-47.46
C[C@H](ONS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017805708	0	28	-1.0	-45.31	283.69	3.67	-41.64
C[C@H](ONS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300017805709	0	33	-1.0	-49.56	320.17	3.62	-45.94
C[C@H](ONS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805710	1	28	-1.0	-49.62	287.93	4.81	-44.81
C[C@H](ONS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017805711	0	40	-1.0	-50.36	360.51	6.21	-44.15
C[C@H](ONS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017805712	0	34	-1.0	-56.44	324.86	-0.34	-56.78
CCC(=O)C1=CC=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805713	0	34	-1.0	-53.32	312.16	4.20	-49.12
CCOC(=O)N1CCN(S(=O)(=O)NO[C@@H](C)C(=O)[O-])CC1	REAL300017805714	0	39	-1.0	-49.31	337.51	1.80	-47.51
COC1=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017805715	0	35	-1.0	-52.64	326.01	4.15	-48.49
C[C@H](ONS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017805716	0	36	-1.0	-54.85	335.06	4.51	-50.34
CC(C)CCN(CCC(C)C)S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805717	0	48	-1.0	-49.55	386.31	5.99	-43.56
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805718	0	32	-1.0	-48.64	313.34	4.15	-44.49
C[C@H](ONS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017805719	0	34	-1.0	-58.27	322.81	-0.35	-58.62
C[C@H](ONS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300017805720	0	41	-1.0	-60.68	371.01	2.06	-58.62
C[C@H](ONS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017805721	0	32	-1.0	-53.42	314.15	0.47	-52.95
COC(=O)C1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300017805722	0	32	-1.0	-47.35	320.13	4.06	-43.29
CCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300017805723	0	39	-1.0	-51.95	334.48	5.37	-46.58
CCOC1=CC=C(C)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805724	0	36	-1.0	-49.71	310.30	4.57	-45.14
C[C@H](ONS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300017805725	0	31	-1.0	-55.47	297.54	3.11	-52.36
C[C@H](ONS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017805726	0	33	-1.0	-53.91	309.64	4.06	-49.85
C[C@H](ONS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017805727	0	28	-1.0	-45.26	293.46	4.06	-41.20
CCOCCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805728	0	40	-1.0	-50.87	356.07	3.40	-47.47
CCCCCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805729	0	42	-1.0	-48.90	365.08	5.53	-43.37
C[C@H](ONS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805730	1	28	-1.0	-54.01	280.59	4.99	-49.02
COC(=O)C1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C1F	REAL300017805731	0	32	-1.0	-52.25	308.59	3.61	-48.64
COC(=O)C1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300017805732	0	32	-1.0	-46.13	323.21	4.41	-41.72
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805733	0	36	-1.0	-51.51	328.27	3.89	-47.62
COC(=O)CC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])S1	REAL300017805734	0	32	-1.0	-55.02	318.62	3.54	-51.48
COC(=O)C1=CSC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805735	0	29	-1.0	-48.77	297.13	2.60	-46.17
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805736	0	38	-1.0	-47.88	328.76	4.79	-43.09
COC(=O)C1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C1Cl	REAL300017805737	0	32	-1.0	-47.51	316.39	3.97	-43.54
COC(=O)C1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C1C	REAL300017805738	0	35	-1.0	-52.57	320.08	4.11	-48.46
COC(=O)C1=CC=C(F)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805739	0	32	-1.0	-52.89	306.07	3.60	-49.29
C[C@H](ONS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017805740	0	32	-1.0	-50.44	297.75	4.78	-45.66
C[C@H](ONS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300017805741	0	25	-1.0	-47.20	265.57	1.74	-45.46
C[C@H](ONS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300017805742	0	30	-1.0	-49.19	305.63	4.41	-44.78
C[C@H](ONS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300017805743	0	31	-1.0	-47.86	299.92	-1.60	-49.46
C[C@H](ONS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300017805744	0	40	-1.0	-50.81	362.24	4.89	-45.92
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805745	0	31	-1.0	-49.04	306.10	2.84	-46.20
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805746	0	33	-1.0	-48.53	313.09	4.41	-44.12
CC(C)N1N=CC2=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C21	REAL300017805747	0	38	-1.0	-51.24	339.79	4.46	-46.78
CCCCCCN1C=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(=O)NC1=O	REAL300017805748	1	44	-1.0	-64.81	383.59	4.05	-60.76
CC1=CN(C2=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C2F)N=C1	REAL300017805749	0	36	-1.0	-50.94	332.67	4.79	-46.15
COC(=O)C1=CC(OC)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])S1	REAL300017805750	0	33	-1.0	-51.58	326.83	1.98	-49.60
CCS(=O)(=O)NCCS(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805751	0	33	-1.0	-55.36	313.31	-2.27	-57.63
CC1=CC(Cl)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017805752	0	31	-1.0	-45.70	302.86	4.66	-41.04
C[C@H](ONS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017805753	1	23	-1.0	-51.40	253.45	1.66	-49.74
CC1=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300017805754	0	32	-1.0	-51.14	302.66	4.18	-46.96
C[C@H](ONS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017805755	1	23	-1.0	-44.29	271.46	3.11	-41.18
C[C@H](ONS(=O)(=O)C1=CC2=CC(F)=CC=C2S1)C(=O)[O-]	REAL300017805756	0	29	-1.0	-49.89	294.40	4.43	-45.46
C[C@H](ONS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300017805757	0	29	-1.0	-49.89	304.88	4.88	-45.01
CC1=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017805758	0	32	-1.0	-45.84	314.33	5.82	-40.02
C[C@H](ONS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017805759	0	29	-1.0	-52.17	297.63	4.71	-47.46
C[C@H](ONS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300017805760	0	32	-1.0	-53.48	301.03	6.00	-47.48
C[C@H](ONS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017805761	0	32	-1.0	-54.68	298.86	5.54	-49.14
COC1=CC(Br)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1Cl	REAL300017805762	0	30	-1.0	-45.56	304.13	3.36	-42.20
C[C@H](ONS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017805763	0	37	-1.0	-53.17	353.82	1.89	-51.28
CCOC(=O)C1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CN1C	REAL300017805764	0	36	-1.0	-50.15	332.29	3.97	-46.18
CCOC(=O)C1CC2=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C2O1	REAL300017805765	0	40	-1.0	-51.55	362.75	5.18	-46.37
C[C@H](ONS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017805766	0	32	-1.0	-52.71	314.18	0.47	-52.24
C[C@H](ONS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300017805767	0	35	-1.0	-45.38	334.36	2.57	-42.81
C[C@H](ONS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300017805768	0	39	-1.0	-54.43	355.79	4.46	-49.97
CC1=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])SC2=CC=CC(F)=C12	REAL300017805769	0	32	-1.0	-51.67	309.00	4.94	-46.73
C[C@H](ONS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300017805770	0	37	-1.0	-54.98	349.28	0.04	-54.94
CC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1N(C)C	REAL300017805772	0	37	-1.0	-48.78	323.98	3.59	-45.19
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805773	0	31	-1.0	-42.15	297.91	4.64	-37.51
CSC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1Cl	REAL300017805774	0	30	-1.0	-47.26	304.29	4.40	-42.86
C[C@H](ONS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300017805775	0	29	-1.0	-70.06	283.63	3.49	-66.57
C[C@H](ONS(=O)(=O)CCC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017805776	0	38	-1.0	-53.16	350.53	5.48	-47.68
C[C@H](ONS(=O)(=O)C1=CC(N(C)C)=CC=C1Br)C(=O)[O-]	REAL300017805777	0	34	-1.0	-50.24	311.05	3.92	-46.32
CC1=NN2C=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=NC2=C1Cl	REAL300017805778	0	31	-1.0	-49.65	310.06	2.89	-46.76
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805779	0	32	-1.0	-49.73	309.89	4.73	-45.00
CCC1=NN(C)C(CC)=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805780	0	38	-1.0	-48.24	325.39	3.52	-44.72
CCC1=NOC2=NC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C12	REAL300017805781	0	33	-1.0	-47.62	310.49	0.65	-46.97
CC1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017805782	0	31	-1.0	-53.98	302.12	4.25	-49.73
C[C@H](ONS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300017805783	0	32	-1.0	-49.80	316.45	5.82	-43.98
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805784	0	32	-1.0	-49.67	299.73	4.29	-45.38
C[C@H](ONS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300017805785	0	29	-1.0	-67.49	286.48	2.79	-64.70
C[C@H](ONS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300017805786	0	29	-1.0	-50.87	306.48	4.77	-46.10
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805787	1	41	-1.0	-60.80	363.78	0.36	-60.44
CC(=O)NC1=CC(C)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1Br	REAL300017805788	0	36	-1.0	-51.68	331.47	3.24	-48.44
C[C@H](ONS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300017805789	0	34	-1.0	-60.32	321.12	1.72	-58.60
C[C@H](ONS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017805790	0	25	-1.0	-44.57	268.46	2.01	-42.56
COC(=O)C1CCCCC1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805791	0	38	-1.0	-52.37	317.71	4.52	-47.85
COC(=O)C1(C2=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C2)CC1	REAL300017805792	0	39	-1.0	-50.82	347.42	5.56	-45.26
C[C@H](ONS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300017805793	0	30	-1.0	-58.72	308.13	4.44	-54.28
C[C@H](ONS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300017805794	0	32	-1.0	-47.64	317.68	1.02	-46.62
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805795	0	30	-1.0	-45.58	300.77	3.90	-41.68
C[C@H](ONS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300017805796	0	35	-1.0	-58.41	315.87	6.50	-51.91
CCC1=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300017805797	0	35	-1.0	-44.63	322.79	3.16	-41.47
C[C@H](ONS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300017805798	0	43	-1.0	-60.91	360.66	4.71	-56.20
COC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(C)=C1F	REAL300017805799	0	33	-1.0	-51.20	291.66	2.93	-48.27
C[C@H](ONS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017805800	0	46	-1.0	-52.47	372.93	4.71	-47.76
C[C@H](ONS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300017805801	0	43	-1.0	-56.48	381.83	5.35	-51.13
C[C@H](ONS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017805802	0	40	-1.0	-54.39	342.78	3.24	-51.15
C[C@H](ONS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300017805803	0	37	-1.0	-56.28	348.10	3.77	-52.51
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805804	0	34	-1.0	-48.18	321.39	4.90	-43.28
C[C@H](ONS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017805805	0	26	-1.0	-44.20	292.27	4.45	-39.75
C[C@H](ONS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300017805806	0	35	-1.0	-51.58	310.36	4.41	-47.17
C[C@H](ONS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300017805807	0	44	-1.0	-54.01	391.40	5.52	-48.49
C[C@H](ONS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300017805808	0	41	-1.0	-53.93	372.09	4.28	-49.65
COCCOC1=CC=C(F)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805809	0	37	-1.0	-54.72	339.43	2.98	-51.74
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805810	0	40	-1.0	-57.19	358.58	4.51	-52.68
C[C@H](ONS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300017805811	0	40	-1.0	-51.36	364.33	6.29	-45.07
C[C@H](ONS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300017805812	1	26	-1.0	-47.60	287.44	4.03	-43.57
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C2O1	REAL300017805813	0	41	-1.0	-51.20	372.95	5.61	-45.59
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805814	0	38	-1.0	-47.71	333.64	5.19	-42.52
C[C@H](ONS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017805815	1	26	-1.0	-50.10	277.97	3.92	-46.18
CC1=CC=C(C)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300017805816	0	34	-1.0	-64.24	308.16	6.31	-57.93
C[C@H](ONS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300017805817	0	32	-1.0	-51.02	310.24	4.73	-46.29
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017805818	0	36	-1.0	-47.24	335.85	5.74	-41.50
COC(=O)NC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805819	0	34	-1.0	-51.10	316.42	1.16	-49.94
C[C@H](ONS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017805821	0	29	-1.0	-45.79	304.53	4.44	-41.35
C[C@H](ONS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017805822	0	29	-1.0	-51.13	290.08	3.95	-47.18
CC1=CC(Br)=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805823	0	29	-1.0	-50.16	291.77	4.21	-45.95
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805824	0	37	-1.0	-66.36	322.52	1.88	-64.48
CC(=O)NC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1Br	REAL300017805825	0	33	-1.0	-51.76	323.38	2.57	-49.19
C[C@H](ONS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017805826	0	37	-1.0	-65.83	331.01	3.13	-62.70
C[C@H](ONS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017805827	0	38	-1.0	-64.96	331.90	2.80	-62.16
C[C@H](ONS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300017805828	0	32	-1.0	-50.14	329.71	1.06	-49.08
C[C@H](ONS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300017805829	1	26	-1.0	-48.77	290.69	4.40	-44.37
COC1=C(F)C=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017805830	0	32	-1.0	-46.26	312.72	3.76	-42.50
COC(=O)NC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017805831	0	36	-1.0	-53.13	339.78	2.28	-50.85
C[C@H](ONS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017805832	0	37	-1.0	-65.87	348.07	4.76	-61.11
COC(=O)C1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300017805833	0	36	-1.0	-51.71	328.31	3.90	-47.81
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805834	0	29	-1.0	-48.95	291.65	4.34	-44.61
CC1=CC(C)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017805835	0	34	-1.0	-56.11	308.93	4.85	-51.26
C[C@H](ONS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017805836	0	34	-1.0	-56.05	313.09	4.23	-51.82
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805837	0	42	-1.0	-61.01	385.69	1.61	-59.40
C[C@H](ONS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017805838	0	32	-1.0	-59.45	288.52	-0.76	-60.21
C[C@H](ONS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017805839	0	36	-1.0	-54.58	329.50	3.84	-50.74
C[C@H](ONS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017805840	0	31	-1.0	-51.20	297.51	3.12	-48.08
COC1=CC(F)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(F)=C1	REAL300017805841	1	30	-1.0	-51.09	287.23	2.53	-48.56
CCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(C)=C1	REAL300017805842	0	36	-1.0	-48.23	308.39	3.82	-44.41
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805843	0	34	-1.0	-59.68	325.86	-0.90	-60.58
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805844	0	35	-1.0	-53.61	320.13	4.62	-48.99
C[C@H](ONS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017805845	0	30	-1.0	-48.56	283.55	3.50	-45.06
CCCOC(=O)C1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805846	0	38	-1.0	-48.62	347.37	5.32	-43.30
C[C@H](ONS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300017805847	0	44	-1.0	-59.79	386.37	2.92	-56.87
C[C@H](ONS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300017805848	0	32	-1.0	-49.31	303.02	2.66	-46.65
CCC(=O)NC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805849	0	36	-1.0	-53.38	325.90	2.65	-50.73
C[C@H](ONS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017805850	0	32	-1.0	-53.24	311.94	4.70	-48.54
CCN(CC1=CC=CC=C1)S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805851	0	37	-1.0	-49.65	320.37	4.96	-44.69
C[C@H](ONS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017805852	0	25	-1.0	-50.39	268.01	1.95	-48.44
C[C@H](ONS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017805853	0	32	-1.0	-51.39	288.43	2.92	-48.47
C[C@H](ONS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017805854	0	38	-1.0	-52.89	342.93	4.91	-47.98
C[C@H](ONS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017805855	0	26	-1.0	-50.25	272.80	3.58	-46.67
CC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C(F)(F)F	REAL300017805856	0	32	-1.0	-52.19	303.68	4.46	-47.73
C[C@H](ONS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017805857	0	32	-1.0	-55.62	321.91	3.70	-51.92
CC1=NN(C)C2=NC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C12	REAL300017805858	0	34	-1.0	-52.59	315.40	2.65	-49.94
C[C@H](ONS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017805859	0	29	-1.0	-53.23	299.82	4.35	-48.88
C[C@H](ONS(=O)(=O)CC1CCCN1C(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017805860	0	47	-1.0	-51.72	405.06	5.94	-45.78
CC1=NOC2=NC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C12	REAL300017805861	0	30	-1.0	-48.17	288.82	-0.09	-48.26
C[C@H](ONS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017805862	0	35	-1.0	-51.48	330.79	5.79	-45.69
C[C@H](ONS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017805863	0	28	-1.0	-44.73	286.88	4.16	-40.57
COC(=O)C1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C(C(=O)OC)S1	REAL300017805864	0	35	-1.0	-53.64	344.38	4.01	-49.63
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805865	0	32	-1.0	-52.74	299.66	4.33	-48.41
C[C@H](ONS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017805866	0	38	-1.0	-66.96	345.84	1.43	-65.53
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CN=C2S1	REAL300017805867	0	40	-1.0	-50.31	373.67	4.55	-45.76
C[C@H](ONS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017805868	0	33	-1.0	-49.76	319.21	3.50	-46.26
C[C@H](ONS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017805869	0	26	-1.0	-46.88	277.27	4.00	-42.88
COC1=CC(OC)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1Br	REAL300017805870	0	34	-1.0	-48.54	323.48	3.22	-45.32
C[C@H](ONS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017805871	0	34	-1.0	-47.54	318.75	0.34	-47.20
C[C@H](ONS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300017805872	0	39	-1.0	-56.87	370.17	5.11	-51.76
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805906	0	35	-1.0	-48.25	335.15	5.08	-43.17
CCOC(=O)C1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C1F	REAL300017805907	0	35	-1.0	-52.35	330.46	4.54	-47.81
C[C@H](ONS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017805908	0	34	-1.0	-51.21	313.50	3.36	-47.85
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805909	0	45	-1.0	-62.93	378.37	6.40	-56.53
C[C@H](ONS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017805910	0	29	-1.0	-51.78	300.11	4.59	-47.19
C[C@H](ONS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017805911	0	27	-1.0	-49.26	276.89	3.77	-45.49
CC(=O)NC1=CC(F)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1Cl	REAL300017805912	0	33	-1.0	-58.00	322.52	2.49	-55.51
C[C@H](ONS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017805913	0	34	-1.0	-49.99	305.99	3.52	-46.47
COC1=CC(Cl)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1Cl	REAL300017805914	0	30	-1.0	-46.63	301.64	3.23	-43.40
CCC1=CC=CC(CC)=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805915	0	38	-1.0	-49.69	311.23	6.13	-43.56
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805916	0	38	-1.0	-51.18	329.00	1.68	-49.50
COC(=O)C1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CS1	REAL300017805917	0	29	-1.0	-48.74	296.35	2.61	-46.13
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805918	0	35	-1.0	-52.66	331.89	5.23	-47.43
C[C@H](ONS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017805919	0	37	-1.0	-50.01	354.50	6.28	-43.73
C[C@H](ONS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017805920	0	32	-1.0	-49.58	315.51	3.63	-45.95
C[C@H](ONS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017805921	0	32	-1.0	-55.40	332.23	4.15	-51.25
COC(=O)C1=CC=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1C	REAL300017805922	0	35	-1.0	-56.45	306.89	4.11	-52.34
C[C@H](ONS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017805923	0	28	-1.0	-44.82	298.58	4.23	-40.59
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805924	0	30	-1.0	-46.53	305.20	3.52	-43.01
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805925	0	38	-1.0	-53.13	328.27	3.54	-49.59
CCOC(=O)N1CCC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])CC1	REAL300017805926	0	40	-1.0	-57.05	339.93	2.80	-54.25
CC1=NC(C2=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C2)=CO1	REAL300017805927	0	35	-1.0	-52.21	325.65	2.00	-50.21
C[C@H](ONS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017805928	0	25	-1.0	-45.61	276.16	2.01	-43.60
C[C@H](ONS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017805929	0	34	-1.0	-51.11	302.95	3.56	-47.55
COC1=CC=C(Cl)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805930	0	30	-1.0	-49.93	285.62	2.68	-47.25
COC(=O)C1=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C2=CC=CC=C2S1	REAL300017805931	0	35	-1.0	-51.41	335.84	5.47	-45.94
C[C@H](ONS(=O)(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017805932	0	47	-1.0	-55.32	400.00	5.88	-49.44
C[C@H](ONS(=O)(=O)C1CCCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017805933	0	47	-1.0	-55.72	404.66	5.94	-49.78
C[C@H](ONS(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2)C(=O)[O-]	REAL300017805934	0	34	-1.0	-50.38	318.34	2.69	-47.69
COC(=O)CC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1	REAL300017805935	0	35	-1.0	-54.70	326.20	4.39	-50.31
CC1=CC=C(N2C=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=N2)C=C1	REAL300017805936	0	36	-1.0	-50.43	331.21	4.73	-45.70
C[C@H](ONS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017805937	0	44	-1.0	-53.22	389.26	5.13	-48.09
C[C@H](ONS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017805938	0	44	-1.0	-62.63	386.08	5.00	-57.63
C[C@H](ONS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017805939	0	41	-1.0	-52.12	373.14	4.23	-47.89
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])S1	REAL300017805940	0	28	-1.0	-46.19	287.38	3.26	-42.93
CC(=O)N1CCC2=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C21	REAL300017805941	0	37	-1.0	-70.40	328.25	3.98	-66.42
C[C@H](ONS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017805942	0	26	-1.0	-50.71	273.46	3.95	-46.76
C[C@H](ONS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017805943	0	26	-1.0	-48.77	285.39	4.01	-44.76
COC1=CC(C)=CC(C)=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805944	0	36	-1.0	-51.43	310.54	4.66	-46.77
COC(=O)C1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1F	REAL300017805945	0	32	-1.0	-54.43	308.40	3.62	-50.81
COC1=CC=C(Cl)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805946	0	30	-1.0	-48.45	290.34	3.75	-44.70
C[C@H](ONS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017805947	0	27	-1.0	-45.84	289.74	3.83	-42.01
COC1=CC(C)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1Cl	REAL300017805948	0	33	-1.0	-52.29	310.15	3.52	-48.77
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])S1	REAL300017805949	0	32	-1.0	-47.17	326.99	3.69	-43.48
CC(=O)NC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1F	REAL300017805950	0	33	-1.0	-52.45	310.45	1.95	-50.50
COC1=CC(Cl)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1OC	REAL300017805951	0	34	-1.0	-49.31	314.65	2.58	-46.73
C[C@H](ONS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017805952	0	30	-1.0	-49.64	294.56	2.58	-47.06
C[C@H](ONS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017805953	0	29	-1.0	-49.48	293.40	3.99	-45.49
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C	REAL300017805954	0	37	-1.0	-51.84	340.40	0.02	-51.82
CCOC(=O)C1=CC2=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C2S1	REAL300017805955	0	38	-1.0	-49.44	363.88	5.98	-43.46
COC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(Br)=C1	REAL300017805956	0	30	-1.0	-49.94	288.13	2.80	-47.14
C[C@H](ONS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017805957	0	31	-1.0	-60.01	305.86	-1.45	-61.46
CC1=CC2=C(C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-])OCO2	REAL300017805958	0	32	-1.0	-46.24	283.06	2.26	-43.98
C[C@H](ONS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300017805959	0	32	-1.0	-48.62	316.28	4.07	-44.55
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805960	0	32	-1.0	-57.58	295.65	4.41	-53.17
C[C@H](ONS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017805961	0	26	-1.0	-47.77	272.70	3.88	-43.89
C[C@H](ONS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017805962	0	26	-1.0	-45.93	275.40	4.01	-41.92
COC1=CC2=C(C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-])OCC(=O)N2	REAL300017805963	0	36	-1.0	-50.83	324.28	0.46	-50.37
C[C@H](ONS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017805964	0	27	-1.0	-57.13	271.84	1.37	-55.76
C[C@H](ONS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300017805965	0	29	-1.0	-45.50	297.33	4.49	-41.01
C[C@H](ONS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017805966	0	26	-1.0	-55.45	271.99	3.56	-51.89
COC(=O)C1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1OC	REAL300017805967	0	36	-1.0	-52.56	331.16	3.64	-48.92
C[C@H](ONS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017805968	0	30	-1.0	-52.03	300.32	0.22	-51.81
C[C@H](ONS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300017805969	0	37	-1.0	-55.96	322.01	4.43	-51.53
C[C@H](ONS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300017805970	0	30	-1.0	-51.94	305.91	4.12	-47.82
CC1=CC=C(CS(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1F	REAL300017814958	0	35	-1.0	-55.80	316.98	1.70	-54.10
CC1=C(Br)C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017814959	0	34	-1.0	-50.23	331.25	2.10	-48.13
COC(=O)C1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC(F)=C1F	REAL300017814960	0	35	-1.0	-52.49	332.12	1.03	-51.46
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017814961	0	41	-1.0	-54.49	350.88	1.73	-52.76
O=C([O-])C[C@H](O)CNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017814962	0	47	-1.0	-50.29	353.59	1.97	-48.32
CC1=NC2=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=CC=C2C=C1	REAL300017814963	0	37	-1.0	-57.03	319.73	1.96	-55.07
O=C([O-])C[C@H](O)CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017814964	0	37	-1.0	-59.85	331.28	2.16	-57.69
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017814965	0	40	-1.0	-53.05	343.66	-1.17	-54.22
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017814966	0	43	-1.0	-55.39	380.78	1.43	-53.96
N#CC1=CC(F)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1Br	REAL300017814967	0	30	-1.0	-49.82	305.25	0.93	-48.89
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C1Cl	REAL300017814968	0	32	-1.0	-49.87	301.97	1.39	-48.48
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017814969	0	35	-1.0	-57.68	314.62	1.27	-56.41
CC1=CSC(C2=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C2)=N1	REAL300017814970	0	38	-1.0	-52.73	352.75	1.76	-50.97
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1F	REAL300017814971	0	35	-1.0	-53.24	334.42	1.15	-52.09
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017814972	0	38	-1.0	-54.13	339.80	1.31	-52.82
CC1=C(Br)C=CC=C1CS(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017814973	0	35	-1.0	-54.44	324.16	2.08	-52.36
O=C([O-])C[C@H](O)CNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017814974	0	32	-1.0	-53.61	310.13	1.50	-52.11
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017814975	0	29	-1.0	-48.85	304.53	1.42	-47.43
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017814976	0	36	-1.0	-58.91	322.43	-2.28	-61.19
CCCCCCCCOC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017814977	0	54	-1.0	-50.95	446.84	5.22	-45.73
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017814978	0	44	-1.0	-55.17	376.36	2.63	-52.54
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017814979	0	39	-1.0	-51.64	351.67	2.46	-49.18
O=C([O-])C[C@H](O)CNS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017814980	0	35	-1.0	-54.66	318.17	1.85	-52.81
O=C([O-])C[C@H](O)CNS(=O)(=O)CCC1=CC=CC=C1F	REAL300017814981	0	35	-1.0	-55.02	317.33	1.82	-53.20
O=C([O-])C[C@H](O)CNS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017814982	0	35	-1.0	-54.03	324.43	2.14	-51.89
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017814983	0	33	-1.0	-50.39	314.06	0.78	-49.61
COC1=CC2=C(C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(=O)NCCC2	REAL300017814984	0	44	-1.0	-59.89	363.14	-0.80	-60.69
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])S2)C1	REAL300017814985	0	40	-1.0	-55.95	356.32	0.72	-55.23
CC1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017814986	0	36	-1.0	-52.62	341.07	2.88	-49.74
NC(=O)C1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C(F)C=C1Br	REAL300017814987	0	33	-1.0	-52.09	315.54	-2.56	-54.65
O=C([O-])C[C@H](O)CNS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017814988	0	32	-1.0	-53.20	313.35	1.62	-51.58
CCC(C)OC1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017814989	0	42	-1.0	-52.81	356.53	1.95	-50.86
CC(CC(F)(F)F)CS(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017814990	0	34	-1.0	-55.76	301.73	0.50	-55.26
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017814991	0	36	-1.0	-56.16	332.78	2.10	-54.06
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C2)=N1	REAL300017814992	0	41	-1.0	-54.51	359.17	0.28	-54.23
COC1=CC(F)=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017814993	0	33	-1.0	-51.12	293.43	0.18	-50.94
COC(=O)C1=C(C)C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])O1	REAL300017814994	0	35	-1.0	-51.81	323.94	-0.34	-52.15
CCC1=NC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CN1CC1CC1	REAL300017814995	0	42	-1.0	-55.44	363.19	2.37	-53.07
CC(=O)N1CC2=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C2C1	REAL300017814996	0	40	-1.0	-58.50	349.93	0.76	-57.74
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017814997	0	32	-1.0	-50.83	306.25	-0.21	-51.04
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017814998	0	32	-1.0	-59.41	315.97	0.09	-59.32
CCCOC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(C)C	REAL300017814999	0	48	-1.0	-50.91	397.96	3.34	-47.57
CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017815000	0	37	-1.0	-52.81	329.64	2.75	-50.06
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017815254	0	32	-1.0	-52.74	298.69	1.16	-51.58
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017815255	0	32	-1.0	-49.12	321.97	1.80	-47.32
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017815256	0	32	-1.0	-50.10	303.52	1.04	-49.06
CC1=CC(Br)=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815257	0	32	-1.0	-50.29	309.21	1.57	-48.72
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815258	0	40	-1.0	-55.76	330.01	-1.55	-57.31
CSC1=CC=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815259	0	33	-1.0	-53.19	290.77	0.45	-52.74
CC(=O)NC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1Br	REAL300017815260	0	36	-1.0	-54.27	340.79	-0.07	-54.34
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815261	0	40	-1.0	-62.38	346.98	0.18	-62.20
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017815262	0	41	-1.0	-56.05	339.11	-0.99	-57.04
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300017815263	0	35	-1.0	-53.26	346.97	-1.59	-54.85
COC1=C(F)C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017815264	0	35	-1.0	-51.72	329.98	1.12	-50.60
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017815265	0	39	-1.0	-53.15	357.21	-0.36	-53.51
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017815266	0	40	-1.0	-62.84	365.50	2.11	-60.73
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(OC)=C1	REAL300017815267	0	39	-1.0	-53.33	341.67	0.77	-52.56
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815268	0	32	-1.0	-49.26	308.19	1.85	-47.41
CC1=CC(C)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017815269	0	37	-1.0	-53.89	325.43	2.35	-51.54
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CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815271	0	45	-1.0	-61.45	402.95	-1.04	-62.49
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CN1C(=O)N(C)C2=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C21	REAL300017815273	0	39	-1.0	-55.98	346.75	1.20	-54.78
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COC1=CC(F)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(F)=C1	REAL300017815275	0	33	-1.0	-52.48	304.48	-0.14	-52.62
CCOC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C)=C1	REAL300017815276	0	39	-1.0	-51.07	332.54	1.41	-49.66
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815277	0	37	-1.0	-56.86	343.12	-3.54	-60.40
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815278	0	38	-1.0	-55.94	338.43	1.99	-53.95
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CSC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815280	0	33	-1.0	-51.29	306.70	1.31	-49.98
CCCOC(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815281	0	41	-1.0	-52.17	364.63	2.67	-49.50
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CCC(=O)NC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815283	0	39	-1.0	-57.57	343.16	-0.01	-57.58
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CCN(CC1=CC=CC=C1)S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815285	0	40	-1.0	-52.23	335.31	2.10	-50.13
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O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017815288	0	34	-1.0	-52.98	302.62	0.74	-52.24
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CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(F)(F)F	REAL300017815291	0	35	-1.0	-51.39	320.94	1.81	-49.58
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CC1=NN(C)C2=NC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C12	REAL300017815293	0	37	-1.0	-53.65	332.82	0.01	-53.64
O=C([O-])C[C@H](O)CNS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017815294	0	32	-1.0	-54.62	316.88	1.65	-52.97
CC1=NOC2=NC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C12	REAL300017815295	0	33	-1.0	-54.76	306.25	-2.73	-57.49
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017815296	0	38	-1.0	-52.99	348.05	3.13	-49.86
COCC1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815297	0	36	-1.0	-52.89	321.57	0.01	-52.88
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017815298	0	31	-1.0	-51.60	311.19	1.71	-49.89
COC(=O)C1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C(C(=O)OC)S1	REAL300017815299	0	38	-1.0	-55.54	361.74	1.50	-54.04
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815300	0	35	-1.0	-54.83	316.93	1.85	-52.98
O=C([O-])C[C@H](O)CNS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017815301	0	32	-1.0	-54.76	303.83	1.43	-53.33
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017815302	0	41	-1.0	-64.40	363.10	-1.21	-65.61
O=C([O-])C[C@H](O)CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017815303	0	36	-1.0	-55.01	336.26	0.79	-54.22
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017815304	0	29	-1.0	-49.87	289.47	0.96	-48.91
COC1=CC(OC)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1Br	REAL300017815305	0	37	-1.0	-53.05	336.94	0.10	-52.95
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CN=C21	REAL300017815306	0	37	-1.0	-53.37	336.18	-2.30	-55.67
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C1F	REAL300017815342	0	38	-1.0	-53.22	347.72	1.89	-51.33
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017815343	0	37	-1.0	-55.88	328.34	0.94	-54.94
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017815344	0	29	-1.0	-50.31	274.57	0.40	-49.91
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815345	0	48	-1.0	-58.73	380.12	3.48	-55.25
O=C([O-])C[C@H](O)CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017815346	0	32	-1.0	-53.83	317.30	1.88	-51.95
N#CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(Cl)=C1	REAL300017815347	0	30	-1.0	-51.44	288.86	0.72	-50.72
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1Cl	REAL300017815348	0	36	-1.0	-54.87	334.95	-0.44	-55.31
CC1CC2=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C2O1	REAL300017815349	0	37	-1.0	-51.90	323.57	0.91	-50.99
COC1=CC(Cl)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1Cl	REAL300017815350	0	33	-1.0	-49.99	313.72	0.19	-49.80
CCC1=CC=CC(CC)=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815351	0	41	-1.0	-49.66	323.64	3.48	-46.18
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815352	0	41	-1.0	-57.02	353.81	-0.76	-57.78
COC(=O)C1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CS1	REAL300017815353	0	32	-1.0	-54.84	313.78	-0.05	-54.89
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815354	0	38	-1.0	-54.69	349.57	2.79	-51.90
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017815355	0	40	-1.0	-52.24	371.91	3.64	-48.60
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017815356	0	35	-1.0	-52.53	330.26	1.14	-51.39
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017815357	0	35	-1.0	-53.19	349.65	1.47	-51.72
COC(=O)C1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1C	REAL300017815358	0	38	-1.0	-53.82	330.50	1.67	-52.15
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017815359	0	31	-1.0	-50.32	316.02	1.58	-48.74
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815360	0	33	-1.0	-48.80	322.16	0.94	-47.86
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815361	0	41	-1.0	-52.55	345.68	0.89	-51.66
CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])CC1	REAL300017815362	0	43	-1.0	-54.92	360.65	0.16	-54.76
CC1=NC(C2=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C2)=CO1	REAL300017815363	0	38	-1.0	-55.91	342.89	-0.65	-56.56
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017815364	0	28	-1.0	-49.13	293.59	-0.63	-49.76
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017815365	0	32	-1.0	-52.70	292.56	-1.05	-53.75
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017815366	0	37	-1.0	-52.07	320.21	0.92	-51.15
COC1=CC=C(Cl)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815367	0	33	-1.0	-52.28	297.64	-0.37	-52.65
COC(=O)C1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C2=CC=CC=C2S1	REAL300017815368	0	38	-1.0	-55.03	346.33	3.27	-51.76
COC(=O)CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815369	0	38	-1.0	-56.51	343.46	1.73	-54.78
CC1=CC=C(N2C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=N2)C=C1	REAL300017815370	0	39	-1.0	-53.83	348.48	2.07	-51.76
O=C([O-])C[C@H](O)CNS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017815371	0	47	-1.0	-58.09	406.78	2.41	-55.68
O=C([O-])C[C@H](O)CNS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017815372	0	47	-1.0	-57.79	400.14	2.08	-55.71
O=C([O-])C[C@H](O)CNS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017815373	0	44	-1.0	-57.14	389.87	1.50	-55.64
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])S1	REAL300017815374	0	31	-1.0	-52.04	304.64	0.62	-51.42
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C21	REAL300017815375	0	40	-1.0	-64.15	347.03	1.41	-62.74
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017815376	0	29	-1.0	-51.68	297.79	1.47	-50.21
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017815377	0	29	-1.0	-49.86	302.63	1.37	-48.49
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815378	0	39	-1.0	-53.07	330.08	2.04	-51.03
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1F	REAL300017815379	0	35	-1.0	-54.47	325.82	0.97	-53.50
COC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815380	0	33	-1.0	-52.34	303.76	0.63	-51.71
COC1=CC=C(C)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815381	0	36	-1.0	-52.76	310.68	0.48	-52.28
N#CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1Br	REAL300017815382	0	30	-1.0	-52.00	307.01	1.18	-50.82
COC1=CC(C)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1Cl	REAL300017815383	0	36	-1.0	-51.65	326.77	1.03	-50.62
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])S1	REAL300017815384	0	35	-1.0	-50.30	340.42	0.93	-49.37
CC(=O)NC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1F	REAL300017815385	0	36	-1.0	-54.61	327.69	-0.70	-55.31
COC1=CC(Cl)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1OC	REAL300017815386	0	37	-1.0	-51.54	326.91	-0.46	-52.00
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017815387	0	33	-1.0	-52.84	311.97	-0.07	-52.91
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017815388	0	32	-1.0	-50.47	310.83	1.35	-49.12
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C	REAL300017815389	0	40	-1.0	-56.28	358.36	-2.74	-59.02
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C2S1	REAL300017815390	0	41	-1.0	-53.37	381.14	3.33	-50.04
COC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(Br)=C1	REAL300017815391	0	33	-1.0	-50.95	312.43	0.33	-50.62
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=N1	REAL300017815392	0	34	-1.0	-59.86	323.28	-4.10	-63.96
CC1=CC2=C(C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-])OCO2	REAL300017815393	0	35	-1.0	-51.97	307.28	-0.15	-52.12
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300017815394	0	35	-1.0	-51.20	333.53	1.42	-49.78
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815395	0	35	-1.0	-54.43	316.97	1.43	-53.00
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017815396	0	29	-1.0	-49.32	284.90	0.85	-48.47
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815397	0	35	-1.0	-48.43	295.56	1.72	-46.71
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017815398	0	29	-1.0	-49.88	299.70	1.56	-48.32
COC1=CC2=C(C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-])OCC(=O)N2	REAL300017815399	0	39	-1.0	-55.10	337.69	-2.65	-57.75
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017815400	0	30	-1.0	-54.71	284.85	-1.33	-56.04
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017815401	0	29	-1.0	-52.41	285.43	0.64	-51.77
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1OC	REAL300017815402	0	39	-1.0	-54.53	348.57	1.00	-53.53
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815403	0	33	-1.0	-55.95	317.76	-2.42	-58.37
CCOC1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815404	0	36	-1.0	-52.96	317.85	0.51	-52.45
CC1(C)CC2=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C2O1	REAL300017815405	0	40	-1.0	-54.11	337.83	1.54	-52.57
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COC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)N(C)C	REAL300017815447	0	43	-1.0	-57.01	368.80	-0.20	-57.21
CC1CC2=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC(Cl)=C2O1	REAL300017815448	0	37	-1.0	-51.75	340.28	1.40	-50.35
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017815449	0	34	-1.0	-51.21	310.72	1.47	-49.74
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017815450	0	43	-1.0	-51.08	381.42	2.90	-48.18
CC1=CC=C(Br)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815451	0	32	-1.0	-51.48	304.38	1.70	-49.78
COC(=O)C1=COC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815452	0	32	-1.0	-54.82	306.39	-0.98	-55.80
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=N1	REAL300017815453	0	40	-1.0	-57.04	354.25	1.04	-56.00
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CC(=O)N(C)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815455	0	39	-1.0	-58.15	333.87	0.50	-57.65
CC(=O)NC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C1C	REAL300017815456	0	39	-1.0	-59.82	340.40	0.02	-59.80
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CN1CCCC2=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C21	REAL300017815459	0	41	-1.0	-52.55	340.72	0.84	-51.71
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017815460	0	31	-1.0	-51.18	301.24	-0.49	-51.67
CC1=CC=C(Cl)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815461	0	32	-1.0	-51.64	289.59	1.00	-50.64
COC1=CC=CC(OC)=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815462	0	37	-1.0	-56.70	320.48	0.80	-55.90
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CN=C1Cl	REAL300017815463	0	31	-1.0	-50.69	297.15	-0.50	-51.19
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017815464	0	35	-1.0	-55.58	317.88	-0.66	-56.24
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CC(C)(C)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])S1	REAL300017815466	0	38	-1.0	-50.66	339.49	1.93	-48.73
COC1=CC(OC)=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815467	0	37	-1.0	-53.36	325.49	-1.11	-54.47
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CN1C=NC2=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C21	REAL300017815469	0	35	-1.0	-58.10	314.78	1.63	-56.47
CC1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300017815470	0	37	-1.0	-57.99	320.31	2.10	-55.89
CCC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1CC	REAL300017815471	0	41	-1.0	-51.16	343.56	2.85	-48.31
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815472	0	37	-1.0	-49.20	317.42	2.30	-46.90
CC1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1Cl	REAL300017815473	0	32	-1.0	-52.02	286.98	0.92	-51.10
COC(=O)C1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C(C)O1	REAL300017815474	0	35	-1.0	-53.00	326.05	-0.19	-53.19
NC1=NC=C(Cl)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815475	0	30	-1.0	-49.56	288.66	-1.83	-51.39
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017815476	0	35	-1.0	-56.39	295.95	1.41	-54.98
COC(=O)C1=NSC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815477	0	31	-1.0	-55.64	298.89	-0.86	-56.50
COC(=O)C1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])SC=N1	REAL300017815478	1	31	-1.0	-57.65	296.33	-1.59	-59.24
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC(C)=C1F	REAL300017815479	0	35	-1.0	-50.01	313.53	1.63	-48.38
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017815480	0	37	-1.0	-60.46	326.09	-1.26	-61.72
O=C([O-])C[C@H](O)CNS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017815481	0	40	-1.0	-51.88	330.55	-1.64	-53.52
COC(=O)C1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CN1C	REAL300017815482	0	36	-1.0	-57.13	327.67	0.38	-56.75
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815483	0	40	-1.0	-53.60	348.95	2.12	-51.48
O=C([O-])C[C@H](O)CNS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017815484	0	32	-1.0	-54.55	312.30	1.53	-53.02
O=C([O-])C[C@H](O)CNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017815485	0	32	-1.0	-55.61	312.86	1.55	-54.06
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017815486	0	29	-1.0	-53.60	281.19	1.02	-52.58
COC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CN=C1Cl	REAL300017815487	0	32	-1.0	-50.81	307.35	-1.75	-52.56
N#CC1=CC=C(F)C(CS(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815488	0	33	-1.0	-57.32	316.42	1.41	-55.91
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=N1	REAL300017815489	0	34	-1.0	-52.60	317.25	-0.89	-53.49
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017815490	0	28	-1.0	-51.60	284.16	-0.34	-51.94
COCC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815491	0	36	-1.0	-52.27	321.57	0.02	-52.25
COC1=CC(C#N)=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815492	0	34	-1.0	-52.82	307.76	0.51	-52.31
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815493	0	35	-1.0	-52.41	338.02	1.45	-50.96
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017815494	0	32	-1.0	-52.39	299.86	-2.16	-54.55
CCOC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=N1	REAL300017815495	0	35	-1.0	-50.99	315.54	-2.10	-53.09
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815496	0	38	-1.0	-63.38	351.53	-1.51	-64.89
CC(=O)NC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C1F	REAL300017815497	0	36	-1.0	-57.50	327.41	-0.70	-58.20
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C21	REAL300017815498	0	43	-1.0	-62.03	358.97	1.90	-60.13
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017815499	0	32	-1.0	-53.65	286.85	-1.16	-54.81
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815500	0	35	-1.0	-49.53	319.98	2.18	-47.35
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815501	0	46	-1.0	-56.75	403.30	0.00	-56.75
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815502	0	39	-1.0	-60.71	347.73	-2.37	-63.08
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C2CC1	REAL300017815503	0	46	-1.0	-58.57	379.65	2.24	-56.33
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(F)(F)F	REAL300017815504	0	38	-1.0	-54.40	351.46	1.75	-52.65
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815505	0	38	-1.0	-51.04	328.40	2.26	-48.78
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017815506	0	32	-1.0	-51.04	292.52	1.17	-49.87
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COCCNC(=O)C1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815508	0	43	-1.0	-60.01	378.04	-1.52	-61.53
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815509	0	42	-1.0	-56.72	363.55	1.68	-55.04
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C1C	REAL300017815510	0	41	-1.0	-52.26	359.19	2.40	-49.86
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815511	0	41	-1.0	-56.57	365.33	2.65	-53.92
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1OC	REAL300017815512	0	40	-1.0	-55.29	362.01	0.09	-55.20
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C(F)C=C1C	REAL300017815513	0	41	-1.0	-51.34	357.45	2.15	-49.19
O=C([O-])C[C@H](O)CNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017815514	0	35	-1.0	-54.24	328.48	2.29	-51.95
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815515	0	38	-1.0	-54.39	341.37	1.61	-52.78
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017815516	0	39	-1.0	-53.15	340.70	3.70	-49.45
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815517	0	43	-1.0	-55.61	385.65	-1.92	-57.53
O=C([O-])C[C@H](O)CNS(=O)(=O)CC1=CC=CC=C1Br	REAL300017815518	0	32	-1.0	-54.45	307.06	1.55	-52.90
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CN1C	REAL300017815519	0	41	-1.0	-55.61	368.52	1.50	-54.11
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017815520	0	33	-1.0	-53.45	314.24	1.16	-52.29
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017815521	0	32	-1.0	-51.91	298.69	1.16	-50.75
CC1=NC(Cl)=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815522	0	31	-1.0	-49.86	293.41	-0.19	-50.05
CC1=NC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C(Br)N1C	REAL300017815523	0	32	-1.0	-55.63	307.12	-0.28	-55.91
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017815524	0	30	-1.0	-51.35	289.88	-0.86	-52.21
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815525	0	42	-1.0	-60.27	360.46	1.15	-59.12
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(F)=C1	REAL300017815526	0	35	-1.0	-51.64	319.49	0.70	-50.94
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815527	0	40	-1.0	-55.09	357.20	-0.37	-55.46
CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)OC(C)C	REAL300017815528	0	44	-1.0	-52.23	379.42	3.11	-49.12
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815529	0	41	-1.0	-57.56	370.17	-0.50	-58.06
COC(=O)C1(CS(=O)(=O)NC[C@@H](O)CC(=O)[O-])CCCC1	REAL300017815530	0	41	-1.0	-58.84	340.48	1.43	-57.41
COCC1=CC(Cl)=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815531	0	36	-1.0	-51.26	338.31	0.52	-50.74
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300017815532	0	35	-1.0	-49.92	320.94	1.80	-48.12
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017815533	0	40	-1.0	-51.11	371.91	3.65	-47.46
COC(=O)CC1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815534	0	38	-1.0	-56.75	343.46	1.72	-55.03
O=C([O-])C[C@H](O)CNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300017815535	0	35	-1.0	-53.83	327.95	2.22	-51.61
COC(=O)C1(CS(=O)(=O)NC[C@@H](O)CC(=O)[O-])CCC1	REAL300017815536	0	38	-1.0	-59.78	328.96	0.64	-59.14
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017815537	0	29	-1.0	-49.63	299.07	0.48	-49.15
CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1I	REAL300017815538	0	32	-1.0	-50.68	311.85	1.93	-48.75
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815539	0	42	-1.0	-55.11	376.35	0.65	-54.46
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815540	0	45	-1.0	-54.83	398.22	1.58	-53.25
COC(=O)C1(CS(=O)(=O)NC[C@@H](O)CC(=O)[O-])CCCCC1	REAL300017815541	0	44	-1.0	-57.94	352.69	1.76	-56.18
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815542	0	37	-1.0	-54.84	336.99	1.28	-53.56
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=N1	REAL300017815543	1	31	-1.0	-58.36	291.09	-0.84	-59.20
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C2	REAL300017815544	0	42	-1.0	-54.95	366.33	4.12	-50.83
O=C([O-])C[C@H](O)CNS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017815545	0	32	-1.0	-54.81	321.81	1.99	-52.82
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COC1=CC=C(Br)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1F	REAL300017815547	0	33	-1.0	-54.57	315.44	0.52	-54.05
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815548	0	39	-1.0	-55.27	341.05	2.59	-52.68
O=C([O-])C[C@H](O)CNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017815549	0	33	-1.0	-53.19	312.65	1.89	-51.30
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CC1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C(C(N)=O)O1	REAL300017815552	0	33	-1.0	-55.10	306.99	-4.13	-59.23
CCCC1=CC=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815556	0	38	-1.0	-50.93	319.40	2.82	-48.11
O=C([O-])C[C@H](O)CNS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017815557	0	38	-1.0	-57.46	328.65	0.99	-56.47
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CSC=C1C(F)F	REAL300017815558	0	29	-1.0	-54.71	280.38	0.59	-54.12
O=C([O-])C[C@H](O)CNS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017815559	0	35	-1.0	-54.93	318.16	1.85	-53.08
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815560	0	45	-1.0	-53.54	384.54	3.19	-50.35
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017815561	0	34	-1.0	-55.91	302.68	0.83	-55.08
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C21	REAL300017815562	0	49	-1.0	-58.53	393.06	2.72	-55.81
COC(=O)C1=CN(C)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815563	0	36	-1.0	-56.08	327.92	0.48	-55.60
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C21	REAL300017815564	0	43	-1.0	-53.52	362.04	0.36	-53.16
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017815565	0	44	-1.0	-63.87	377.20	2.94	-60.93
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C21	REAL300017815566	0	43	-1.0	-63.98	367.34	2.22	-61.76
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C2)C=C1	REAL300017815567	0	44	-1.0	-51.90	395.37	4.16	-47.74
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017815568	0	36	-1.0	-52.87	316.40	-0.03	-52.90
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O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CN=C2CCCCN12	REAL300017815581	0	36	-1.0	-52.78	308.05	0.39	-52.39
COC1=C(F)C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1F	REAL300017815582	0	33	-1.0	-50.24	312.39	-0.17	-50.41
COC1=CC(F)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1F	REAL300017815583	0	33	-1.0	-51.14	300.51	-0.59	-51.73
CCCCCOC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(C)C	REAL300017815584	0	54	-1.0	-50.83	440.97	4.90	-45.93
COC1=CC(C(C)C)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C	REAL300017815585	0	45	-1.0	-51.31	369.94	2.41	-48.90
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815586	0	39	-1.0	-52.19	328.06	1.51	-50.68
CCOCCOC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(C)C	REAL300017815587	0	52	-1.0	-53.16	431.94	2.76	-50.40
CC1CC2=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C2O1	REAL300017815588	0	37	-1.0	-54.09	312.51	0.75	-53.34
CC(C)(C)C1=NC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])S1	REAL300017815589	0	37	-1.0	-50.49	335.17	-0.05	-50.54
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COC1=C(F)C=CC(F)=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815591	0	33	-1.0	-52.64	305.02	0.90	-51.74
CC1=C(Br)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C(C)S1	REAL300017815592	0	32	-1.0	-49.73	310.75	1.66	-48.07
CC1=CC(Cl)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(Br)=C1	REAL300017815593	0	32	-1.0	-51.06	313.74	2.34	-48.72
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C21	REAL300017815594	0	46	-1.0	-62.26	375.17	2.33	-59.93
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017815595	0	35	-1.0	-53.88	318.78	0.85	-53.03
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C21	REAL300017815596	0	43	-1.0	-63.09	366.06	1.92	-61.17
CN1N=C(Br)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815597	0	29	-1.0	-49.39	287.43	-1.55	-50.94
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CC1=NN2C=CC=NC2=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815599	0	34	-1.0	-59.48	308.25	-0.13	-59.61
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017815600	0	33	-1.0	-53.56	314.49	0.52	-53.04
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O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017815603	0	33	-1.0	-52.57	314.38	0.51	-52.06
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CN1N=C(C2CC2)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815605	0	36	-1.0	-50.51	317.43	0.06	-50.45
CC1=CC(C)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C)=C1F	REAL300017815606	0	38	-1.0	-49.70	314.64	2.31	-47.39
COC1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1OC	REAL300017815607	0	37	-1.0	-53.62	323.91	0.09	-53.53
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COC1=CC=C(F)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1OC	REAL300017815610	0	37	-1.0	-54.67	328.02	0.56	-54.11
COC(=O)C1=C(Br)OC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815611	1	32	-1.0	-50.70	325.14	-0.34	-51.04
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(I)S1	REAL300017815612	0	26	-1.0	-49.32	286.65	0.48	-48.84
CN1C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C2CCCC2)=N1	REAL300017815613	0	42	-1.0	-52.70	340.62	0.55	-52.15
N#CC1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C2=CC=CC=C2S1	REAL300017815614	0	33	-1.0	-53.27	317.36	2.21	-51.06
CN1C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C2CC2)=N1	REAL300017815616	0	36	-1.0	-53.42	310.24	-0.33	-53.75
O=C([O-])C[C@H](O)CNC(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017815617	0	31	-1.0	-48.59	299.79	3.90	-44.69
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017815618	0	33	-1.0	-53.29	305.75	-0.13	-53.42
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017815619	0	33	-1.0	-55.50	314.55	0.54	-54.96
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017815620	0	32	-1.0	-55.07	295.95	-0.49	-55.56
CN1N=NC2=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=CC=C21	REAL300017815621	0	34	-1.0	-60.89	304.84	-1.31	-62.20
CC1=CC(C)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1Br	REAL300017815623	0	35	-1.0	-50.53	320.70	2.37	-48.16
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017815624	0	35	-1.0	-51.23	334.72	1.42	-49.81
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017815625	0	32	-1.0	-52.20	289.49	0.16	-52.04
CN1C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C2CCC2)=N1	REAL300017815626	0	39	-1.0	-52.87	323.43	0.06	-52.81
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815627	0	47	-1.0	-50.95	380.68	4.31	-46.64
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017815628	0	35	-1.0	-51.59	337.71	2.16	-49.43
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017815629	0	39	-1.0	-53.56	340.48	0.92	-52.64
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017815630	0	33	-1.0	-51.56	303.25	1.48	-50.08
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017815631	0	40	-1.0	-52.38	357.28	3.14	-49.24
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815632	0	42	-1.0	-58.30	356.30	-1.31	-59.61
COC1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300017815633	0	38	-1.0	-61.58	331.94	1.50	-60.08
CCCC1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815634	0	38	-1.0	-51.35	330.90	2.50	-48.85
COC(=O)C1=NN(C)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815635	0	35	-1.0	-52.54	321.77	-1.32	-53.86
N#CC1=CC=C(F)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815636	0	30	-1.0	-53.76	278.49	0.09	-53.67
CN1N=C2CCCC2=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815637	0	36	-1.0	-51.61	312.22	-0.20	-51.81
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017815638	0	33	-1.0	-50.76	322.95	1.63	-49.13
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C2C=C1	REAL300017815639	0	41	-1.0	-54.21	367.19	3.19	-51.02
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300017815640	0	38	-1.0	-54.27	355.52	2.88	-51.39
CC(C)(C)N1N=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815641	0	38	-1.0	-49.65	312.61	0.27	-49.38
CC(C)(C)N1C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=N1	REAL300017815642	0	38	-1.0	-53.12	331.00	-0.01	-53.13
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CNN=C1C1CCC1	REAL300017815643	0	36	-1.0	-52.08	300.32	-1.25	-53.33
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CN=C1C(F)(F)F	REAL300017815644	0	34	-1.0	-50.97	317.42	0.10	-50.87
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017815645	0	32	-1.0	-49.40	311.64	1.36	-48.04
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017815646	0	29	-1.0	-51.49	287.43	0.80	-50.69
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017815647	0	29	-1.0	-50.24	298.23	0.38	-49.86
O=C([O-])C[C@H](O)CNS(=O)(=O)N1CCC(F)(F)CC1	REAL300017815648	0	34	-1.0	-51.07	294.08	-0.51	-51.58
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017815649	0	32	-1.0	-49.94	318.40	1.71	-48.23
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017815650	0	32	-1.0	-56.25	286.51	1.76	-54.49
CCCC(=O)C1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815651	0	40	-1.0	-58.41	351.08	2.32	-56.09
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017815652	0	40	-1.0	-51.42	336.13	3.32	-48.10
CC1(C)OC(=O)C2=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C21	REAL300017815653	0	39	-1.0	-58.49	346.75	1.98	-56.51
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017815654	0	35	-1.0	-51.31	328.97	1.32	-49.99
O=C([O-])C[C@H](O)CNS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017815655	0	35	-1.0	-51.09	308.95	0.73	-50.36
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815656	0	34	-1.0	-52.99	317.53	0.80	-52.19
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815657	0	39	-1.0	-51.17	362.70	1.06	-50.11
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017815658	0	38	-1.0	-61.10	340.62	0.26	-60.84
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017815659	0	29	-1.0	-52.44	285.70	0.70	-51.74
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017815660	0	32	-1.0	-51.49	297.81	1.90	-49.59
COC(=O)C1=C(C)SC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815661	0	35	-1.0	-51.48	332.67	0.64	-50.84
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017815662	0	36	-1.0	-51.60	313.99	2.14	-49.46
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300017815663	0	31	-1.0	-49.86	320.89	0.51	-49.35
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017815664	0	39	-1.0	-50.23	331.32	0.87	-49.36
CCC(C)N1N=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815665	0	38	-1.0	-50.23	326.45	0.17	-50.06
CNC(=O)NC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815666	0	38	-1.0	-58.44	337.71	-2.20	-60.64
CS(=O)(=O)C1=CSC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815667	0	32	-1.0	-58.78	320.44	-3.22	-62.00
CN(C1CCCCCC1)S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815668	0	43	-1.0	-50.36	332.12	1.09	-49.27
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815669	0	33	-1.0	-50.80	299.76	0.24	-50.56
CN1C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C2CCOCC2)=N1	REAL300017815670	0	43	-1.0	-53.39	364.98	-0.60	-53.99
CC(F)(F)C1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815671	0	35	-1.0	-52.46	319.72	1.82	-50.64
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017815672	0	33	-1.0	-53.21	305.75	-0.13	-53.34
O=C([O-])C[C@H](O)CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017815673	0	44	-1.0	-52.04	362.08	2.95	-49.09
CC1=CC(C)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C2=NC=CC=C12	REAL300017815674	0	40	-1.0	-57.09	337.91	2.58	-54.51
O=C([O-])C[C@H](O)CNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017815675	0	37	-1.0	-51.99	320.11	0.28	-51.71
CCOCC1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815676	0	39	-1.0	-52.93	343.43	0.97	-51.96
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300017815677	0	32	-1.0	-51.83	325.79	2.29	-49.54
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815680	0	39	-1.0	-51.83	345.17	1.52	-50.31
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017815681	0	42	-1.0	-52.22	352.90	1.23	-50.99
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017815682	0	40	-1.0	-51.51	355.18	3.13	-48.38
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC(C)=C1Br	REAL300017815683	0	35	-1.0	-49.91	324.20	2.03	-47.88
CCN1N=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1Cl	REAL300017815684	0	32	-1.0	-50.40	299.65	-1.16	-51.56
O=C([O-])C[C@H](O)CNS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017815685	0	33	-1.0	-53.15	316.67	1.98	-51.17
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C2	REAL300017815686	0	35	-1.0	-51.88	351.60	1.51	-50.37
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017815688	0	31	-1.0	-52.11	300.37	-0.78	-52.89
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017815689	0	34	-1.0	-57.90	322.96	1.46	-56.44
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017815690	0	34	-1.0	-56.92	319.64	1.29	-55.63
CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C2=CC=CC=C12	REAL300017815691	0	38	-1.0	-53.65	325.20	3.17	-50.48
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815692	0	33	-1.0	-54.79	318.33	1.30	-53.49
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017815693	0	36	-1.0	-53.69	324.43	0.66	-53.03
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C21	REAL300017815694	0	43	-1.0	-53.41	371.09	1.80	-51.61
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017815695	0	29	-1.0	-50.69	286.86	0.58	-50.11
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])O1	REAL300017815696	0	35	-1.0	-61.04	330.13	-3.42	-64.46
CN1C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300017815697	0	39	-1.0	-52.58	333.64	1.18	-51.40
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017815698	0	35	-1.0	-55.08	337.71	-2.31	-57.39
O=C([O-])C[C@H](O)CNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017815699	0	33	-1.0	-52.33	304.82	1.53	-50.80
O=C([O-])C[C@H](O)CNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017815700	0	33	-1.0	-52.02	319.69	2.08	-49.94
O=C([O-])C[C@H](O)CNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017815701	0	33	-1.0	-51.86	319.70	2.09	-49.77
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017815702	0	33	-1.0	-50.99	310.33	1.59	-49.40
COC(=O)C1CCCCN1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815703	0	40	-1.0	-55.15	333.20	0.81	-54.34
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C21	REAL300017815704	0	51	-1.0	-50.84	396.09	4.46	-46.38
N#CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017815705	0	32	-1.0	-56.93	311.97	1.10	-55.83
COC1=CC=C(C=C(C)S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815706	0	40	-1.0	-52.99	340.47	1.27	-51.72
COC(=O)C=CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815707	0	39	-1.0	-54.39	353.17	2.18	-52.21
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=NN1	REAL300017815708	0	35	-1.0	-52.74	324.73	-1.87	-54.61
COC1=CSC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1OC	REAL300017815709	0	34	-1.0	-52.96	320.39	-1.03	-53.99
O=C([O-])C[C@H](O)CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017815710	0	41	-1.0	-50.50	326.57	0.76	-49.74
CN(CCC1=CC=CC=C1)S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815711	0	40	-1.0	-52.52	346.44	2.18	-50.34
O=C([O-])C[C@H](O)CNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017815712	0	40	-1.0	-49.89	341.75	6.97	-42.92
O=C([O-])C[C@H](O)CNC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017815713	0	46	-1.0	-48.93	362.85	6.39	-42.54
CC(C)(C)OC(=O)N1CCN(C(=O)NC[C@@H](O)CC(=O)[O-])CC1	REAL300017815714	0	47	-1.0	-49.65	367.46	2.94	-46.71
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815715	0	48	-1.0	-52.15	381.57	3.46	-48.69
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815716	0	33	-1.0	-51.73	317.14	1.45	-50.28
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017815717	0	33	-1.0	-52.69	315.21	1.08	-51.61
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017815718	0	33	-1.0	-53.17	312.00	-0.07	-53.24
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815719	0	35	-1.0	-51.73	309.91	0.28	-51.45
CN1C=CC2=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C21	REAL300017815720	0	36	-1.0	-54.59	320.21	2.05	-52.54
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017815721	0	32	-1.0	-54.70	296.05	1.83	-52.87
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017815722	0	38	-1.0	-51.66	345.38	0.77	-50.89
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017815723	0	26	-1.0	-48.09	291.57	0.39	-47.70
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815724	0	42	-1.0	-53.32	356.16	2.56	-50.76
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017815725	0	46	-1.0	-53.29	384.92	2.19	-51.10
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017815726	0	32	-1.0	-50.92	322.75	1.70	-49.22
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017815727	0	34	-1.0	-53.97	317.96	0.92	-53.05
COC(=O)[C@@H]1CCCN1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815728	0	37	-1.0	-58.16	320.26	0.11	-58.05
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(I)C=CS1	REAL300017815729	0	26	-1.0	-50.56	280.85	0.16	-50.40
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017815730	0	40	-1.0	-53.07	355.19	3.14	-49.93
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815731	0	35	-1.0	-56.69	303.25	2.27	-54.42
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017815732	0	34	-1.0	-55.38	321.37	-1.14	-56.52
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017815733	0	30	-1.0	-52.64	301.67	-0.86	-53.50
CC1=CC(Cl)=NC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815734	0	31	-1.0	-50.04	293.61	-0.18	-50.22
C=C(C)COC1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815735	0	40	-1.0	-53.32	350.17	1.91	-51.41
CCN1C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C2CC2)=N1	REAL300017815736	0	39	-1.0	-53.23	331.77	0.53	-52.70
CC1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C2=NSN=C2C=C1	REAL300017815737	0	33	-1.0	-55.66	304.52	-0.33	-55.99
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017815738	0	35	-1.0	-51.29	329.15	3.06	-48.23
CC(=O)OC1CCN(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C1	REAL300017815739	0	37	-1.0	-54.17	326.44	-0.55	-54.72
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017815740	0	39	-1.0	-50.95	357.43	4.22	-46.73
CCC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C1Br	REAL300017815741	0	35	-1.0	-49.62	325.54	2.16	-47.46
CC1=NN(C2CCCC2)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815742	0	42	-1.0	-51.25	354.48	1.41	-49.84
COCCC1=CC=C(OC)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815743	0	43	-1.0	-53.94	363.60	0.61	-53.33
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017815744	0	35	-1.0	-52.47	313.82	2.58	-49.89
CN1N=C2CCOCC2=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815745	0	37	-1.0	-50.99	317.19	-2.05	-53.04
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300017815746	0	35	-1.0	-52.28	331.33	0.11	-52.17
CC(=O)OCC1CCN(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])CC1	REAL300017815747	0	43	-1.0	-55.46	361.73	1.07	-54.39
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815748	0	43	-1.0	-57.37	376.03	0.62	-56.75
O=C([O-])C[C@H](O)CNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017815749	0	39	-1.0	-52.62	328.74	-1.94	-54.56
COC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C)=N1	REAL300017815750	0	35	-1.0	-50.46	308.69	-2.14	-52.60
COC1=NC=C(C)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815751	0	35	-1.0	-52.63	306.34	-1.86	-54.49
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017815752	0	44	-1.0	-52.37	368.39	0.67	-51.70
COC1=NC=C(Cl)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815753	0	32	-1.0	-50.23	301.64	-2.01	-52.24
COC1=NC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C	REAL300017815754	0	35	-1.0	-51.13	313.82	-2.31	-53.44
CC(C)CN1C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=N1	REAL300017815755	0	38	-1.0	-53.17	329.47	0.44	-52.73
CC1=NN(C(C)C)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815756	0	38	-1.0	-52.55	332.40	-0.06	-52.61
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017815757	0	28	-1.0	-53.60	293.84	-1.74	-55.34
O=C([O-])C[C@H](O)CNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017815758	0	33	-1.0	-51.81	329.37	2.40	-49.41
COC(=O)C1=NC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C	REAL300017815759	0	37	-1.0	-52.05	333.28	-0.35	-52.40
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815760	0	32	-1.0	-57.54	304.68	2.16	-55.38
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=NN1CC1CC1	REAL300017815761	0	36	-1.0	-50.10	315.24	0.43	-49.67
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017815762	0	36	-1.0	-55.94	319.44	1.19	-54.75
O=C([O-])C[C@H](O)CNS(=O)(=O)N1CCC2=CC=CN=C21	REAL300017815763	0	34	-1.0	-57.18	301.62	0.67	-56.51
CC1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=NN1C(C)C	REAL300017815764	0	38	-1.0	-53.08	329.80	0.09	-52.99
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017815765	0	36	-1.0	-55.05	326.38	2.48	-52.57
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017815766	0	31	-1.0	-52.01	293.85	-0.69	-52.70
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815767	0	43	-1.0	-52.09	375.31	3.85	-48.24
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017815768	0	36	-1.0	-53.42	328.03	2.52	-50.90
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017815769	0	33	-1.0	-53.58	309.90	0.42	-53.16
O=C([O-])C[C@H](O)CNC(=O)N1CC=C(Br)CC1	REAL300017815770	0	31	-1.0	-47.34	278.00	2.72	-44.62
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017815771	0	32	-1.0	-52.88	296.95	0.90	-51.98
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815772	0	37	-1.0	-59.19	324.17	-3.91	-63.10
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017815774	0	36	-1.0	-53.66	322.01	2.58	-51.08
CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(Cl)=C1Cl	REAL300017815775	0	32	-1.0	-51.41	302.15	1.39	-50.02
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017815776	0	33	-1.0	-50.33	310.74	-0.17	-50.50
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017815777	0	36	-1.0	-52.19	330.47	1.16	-51.03
COC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C(F)F)=C1	REAL300017815778	0	36	-1.0	-53.68	314.31	0.32	-53.36
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815779	0	35	-1.0	-50.22	323.78	-1.55	-51.77
CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C2=NC=CC=C12	REAL300017815780	0	37	-1.0	-56.84	316.46	1.94	-54.90
O=C([O-])C[C@H](O)CNC(=O)N1CC(OCC2=CC=CC=C2)C1	REAL300017815781	0	41	-1.0	-50.33	350.37	3.49	-46.84
CC(C)(C)OC(=O)NC1CN(C(=O)NC[C@@H](O)CC(=O)[O-])C1	REAL300017815782	0	44	-1.0	-51.62	361.20	0.28	-51.34
CC(=O)OCC1CCN(C(=O)NC[C@@H](O)CC(=O)[O-])CC1	REAL300017815783	0	42	-1.0	-52.56	341.86	3.76	-48.80
O=C([O-])C[C@H](O)CNS(=O)(=O)N1CC=C(Br)CC1	REAL300017815784	0	32	-1.0	-50.95	297.96	0.01	-50.94
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815786	0	42	-1.0	-52.98	348.16	2.32	-50.66
CC1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C(Cl)S1	REAL300017815787	0	29	-1.0	-49.26	292.29	0.73	-48.53
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017815788	0	36	-1.0	-54.13	332.17	0.91	-53.22
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C2CCCCN2N=C1	REAL300017815789	0	36	-1.0	-52.96	310.64	-0.37	-53.33
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300017815794	0	28	-1.0	-44.63	287.00	3.69	-40.94
O=C([O-])C(F)CCNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21	REAL300017815814	0	42	-1.0	-46.62	362.86	9.46	-37.16
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815815	0	33	-1.0	-53.11	317.64	-1.95	-55.06
N#CC1=CC=CC=C1CS(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815816	0	32	-1.0	-55.69	305.60	4.03	-51.66
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017815817	0	36	-1.0	-48.86	327.86	4.94	-43.92
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1C	REAL300017815818	0	36	-1.0	-50.37	323.33	5.19	-45.18
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300017815819	0	34	-1.0	-49.84	308.35	2.26	-47.58
CN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(=O)N(C)C1=O	REAL300017815820	0	34	-1.0	-54.69	310.44	2.12	-52.57
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300017815821	0	31	-1.0	-51.33	295.61	0.60	-50.73
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300017815822	0	30	-1.0	-54.08	281.27	4.58	-49.50
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815823	0	35	-1.0	-47.23	326.81	4.45	-42.78
CCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815824	0	35	-1.0	-47.00	315.21	3.32	-43.68
CC1=CC(C)=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1C	REAL300017815825	0	40	-1.0	-46.13	324.02	5.67	-40.46
CC1=CC(C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C)=C1	REAL300017815826	0	37	-1.0	-46.22	311.95	5.27	-40.95
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815827	0	43	-1.0	-46.64	354.79	6.32	-40.32
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300017815828	0	28	-1.0	-45.40	295.38	4.07	-41.33
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300017815829	0	28	-1.0	-45.78	281.86	3.67	-42.11
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300017815830	0	31	-1.0	-47.47	302.94	4.11	-43.36
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300017815831	0	31	-1.0	-48.99	288.40	4.65	-44.34
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300017815832	0	31	-1.0	-46.01	315.37	4.50	-41.51
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300017815833	0	31	-1.0	-45.66	304.27	4.16	-41.50
CC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815834	0	33	-1.0	-50.54	303.94	3.49	-47.05
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300017815835	0	32	-1.0	-49.68	307.50	2.65	-47.03
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815836	0	37	-1.0	-47.42	357.24	5.19	-42.23
N#CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017815837	0	29	-1.0	-47.81	290.57	3.53	-44.28
O=C([O-])C(F)CCNS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300017815838	0	44	-1.0	-55.93	396.56	4.97	-50.96
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300017815839	0	37	-1.0	-50.66	328.67	4.70	-45.96
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300017815840	0	29	-1.0	-50.90	291.24	2.35	-48.55
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300017815841	0	34	-1.0	-50.73	319.38	4.68	-46.05
CN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C(F)(F)F)=N1	REAL300017815842	0	31	-1.0	-50.98	302.92	2.05	-48.93
CC1=CC=CC(C)=C1CS(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815843	0	37	-1.0	-48.44	317.17	5.03	-43.41
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017815844	1	30	-1.0	-46.09	303.95	5.15	-40.94
COC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(F)C=C1C	REAL300017815845	0	37	-1.0	-48.23	332.48	4.04	-44.19
CC1=CC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C2N=C1Cl	REAL300017815846	0	36	-1.0	-48.70	340.34	4.48	-44.22
COC(CS(=O)(=O)NCCC(F)C(=O)[O-])C1=CC=CC=C1	REAL300017815847	0	38	-1.0	-48.29	334.59	3.60	-44.69
O=C([O-])C(F)CCNS(=O)(=O)CC1CCCCC1(F)F	REAL300017815848	0	37	-1.0	-47.53	316.91	4.25	-43.28
O=C([O-])C(F)CCNS(=O)(=O)CCOCC1=CC=CC=C1	REAL300017815849	0	38	-1.0	-49.35	342.74	3.86	-45.49
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C(C)C)=C1	REAL300017815850	0	55	-1.0	-45.79	421.72	8.95	-36.84
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300017815851	0	33	-1.0	-49.65	310.66	4.65	-45.00
CCOC(=O)C1=CC=C(CS(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815852	0	40	-1.0	-51.76	363.88	5.40	-46.36
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815853	0	35	-1.0	-46.66	331.68	3.39	-43.27
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300017815854	0	35	-1.0	-47.38	313.09	5.20	-42.18
COC1=CC=C2C=C(S(=O)(=O)NCCC(F)C(=O)[O-])CCC2=C1	REAL300017815855	0	40	-1.0	-47.90	347.79	4.80	-43.10
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300017815856	0	36	-1.0	-47.57	324.40	4.07	-43.50
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300017815857	0	28	-1.0	-45.66	286.06	3.66	-42.00
CC(=O)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815858	0	33	-1.0	-54.02	303.96	3.48	-50.54
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300017815859	0	28	-1.0	-49.01	280.31	3.62	-45.39
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017815860	0	34	-1.0	-53.14	318.98	3.84	-49.30
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815861	0	40	-1.0	-46.36	340.07	5.42	-40.94
CC(C)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815862	0	37	-1.0	-46.68	323.69	5.02	-41.66
CCC(C)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815863	0	40	-1.0	-46.56	342.14	5.68	-40.88
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815864	0	45	-1.0	-51.25	400.62	2.82	-48.43
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815865	0	39	-1.0	-51.57	359.46	1.10	-50.47
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300017815866	0	28	-1.0	-48.61	286.00	4.35	-44.26
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Cl)S1	REAL300017815867	0	25	-1.0	-45.95	272.83	2.72	-43.23
CCCC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815868	0	37	-1.0	-46.67	327.85	5.31	-41.36
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300017815869	0	28	-1.0	-46.09	286.82	3.77	-42.32
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Br	REAL300017815870	0	32	-1.0	-47.59	313.37	3.06	-44.53
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815871	0	39	-1.0	-52.63	340.44	1.82	-50.81
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017815872	1	28	-1.0	-49.09	274.30	2.98	-46.11
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300017815873	0	28	-1.0	-45.13	297.32	4.13	-41.00
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300017815874	0	34	-1.0	-45.70	341.25	5.11	-40.59
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(Br)=C1	REAL300017815875	0	28	-1.0	-47.00	284.77	3.71	-43.29
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815876	0	40	-1.0	-53.70	362.34	5.25	-48.45
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300017815877	0	28	-1.0	-47.03	278.86	3.38	-43.65
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300017815878	0	31	-1.0	-46.50	305.10	5.18	-41.32
COC(=O)C1=CC(Br)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815879	0	34	-1.0	-49.07	329.18	5.22	-43.85
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1Br	REAL300017815880	0	31	-1.0	-45.46	303.37	4.28	-41.18
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC=C1Br	REAL300017815881	0	28	-1.0	-47.65	279.91	3.83	-43.82
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300017815882	0	32	-1.0	-45.90	309.43	2.89	-43.01
CC1=C(C)C(C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C)=C1C	REAL300017815883	0	43	-1.0	-47.14	337.32	6.12	-41.02
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300017815884	0	37	-1.0	-48.16	326.70	3.04	-45.12
CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017815885	0	33	-1.0	-49.67	307.68	4.29	-45.38
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Br)S1	REAL300017815886	0	25	-1.0	-46.00	277.47	2.82	-43.18
COC1=CC=C(Br)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815887	0	32	-1.0	-47.37	305.27	3.54	-43.83
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815888	0	46	-1.0	-45.44	366.18	6.91	-38.53
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300017815889	0	44	-1.0	-46.12	365.71	6.91	-39.21
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300017815890	0	31	-1.0	-46.42	302.61	4.09	-42.33
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300017815891	0	38	-1.0	-46.97	326.58	5.59	-41.38
COC1=CC=C(OC)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815892	0	36	-1.0	-49.61	313.85	2.21	-47.40
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1OC	REAL300017815893	0	36	-1.0	-48.89	322.60	2.30	-46.59
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300017815894	0	38	-1.0	-49.63	360.69	2.68	-46.95
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300017815895	0	35	-1.0	-47.21	309.42	5.01	-42.20
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(OC)=C1	REAL300017815896	0	36	-1.0	-49.75	313.44	2.22	-47.53
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300017815897	0	36	-1.0	-47.90	318.34	5.50	-42.40
CC1=CC(Cl)=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1Cl	REAL300017815898	0	34	-1.0	-45.63	319.47	5.44	-40.19
COC1=CC=C(C)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815899	0	35	-1.0	-48.80	305.39	3.58	-45.22
CC1=CC=C(Br)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815900	0	31	-1.0	-46.17	299.89	4.62	-41.55
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1NC(C)=O	REAL300017815901	0	39	-1.0	-54.91	347.93	1.43	-53.48
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300017815902	0	36	-1.0	-50.12	323.28	2.28	-47.84
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300017815903	0	32	-1.0	-50.94	299.21	-0.09	-51.03
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2NC(=O)CC2=C1	REAL300017815904	0	33	-1.0	-50.18	305.97	1.56	-48.62
CCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1OCC	REAL300017815905	0	42	-1.0	-48.74	366.31	4.15	-44.59
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Br)C=C1	REAL300017815906	0	28	-1.0	-45.65	284.74	3.72	-41.93
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300017815907	0	30	-1.0	-47.41	291.68	3.76	-43.65
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300017815908	0	34	-1.0	-48.95	309.41	5.37	-43.58
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815909	0	35	-1.0	-52.85	319.51	1.98	-50.87
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300017815910	0	30	-1.0	-50.12	292.08	3.77	-46.35
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815911	0	33	-1.0	-49.87	306.41	4.66	-45.21
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017815912	0	31	-1.0	-47.63	300.04	3.55	-44.08
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017815913	0	31	-1.0	-48.27	314.76	5.15	-43.12
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300017815914	0	31	-1.0	-51.52	314.23	4.47	-47.05
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815915	0	37	-1.0	-61.44	348.31	1.33	-60.11
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300017815916	0	27	-1.0	-45.50	294.74	2.27	-43.23
O=C([O-])C(F)CCNS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300017815917	0	31	-1.0	-50.41	285.56	3.28	-47.13
CC1=CC2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2C=C1	REAL300017815918	0	37	-1.0	-48.32	330.75	6.03	-42.29
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)C=CS1	REAL300017815919	0	25	-1.0	-46.61	267.69	2.42	-44.19
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815920	0	37	-1.0	-48.82	347.17	5.08	-43.74
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300017815921	0	43	-1.0	-54.64	385.46	3.65	-50.99
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815922	0	41	-1.0	-51.82	360.31	3.46	-48.36
O=C([O-])C(F)CCNS(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300017815923	0	31	-1.0	-50.13	306.10	4.28	-45.85
O=C([O-])C(F)CCNS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300017815924	0	34	-1.0	-50.74	306.60	5.09	-45.65
CCC1=CC(CC)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(CC)=C1	REAL300017815925	0	46	-1.0	-45.67	363.42	7.82	-37.85
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300017815926	0	33	-1.0	-49.57	299.26	2.93	-46.64
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815927	0	36	-1.0	-48.05	322.13	5.17	-42.88
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300017815928	0	35	-1.0	-53.17	319.45	2.85	-50.32
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300017815929	0	30	-1.0	-48.72	311.61	3.01	-45.71
COC1=CC(OC)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Cl	REAL300017815930	0	36	-1.0	-47.97	329.88	2.80	-45.17
COC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1Cl	REAL300017815931	0	32	-1.0	-46.38	309.41	2.96	-43.42
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300017815932	0	31	-1.0	-49.59	293.81	0.36	-49.23
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815933	0	41	-1.0	-51.95	359.57	4.51	-47.44
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300017815934	0	31	-1.0	-51.56	297.86	2.09	-49.47
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(F)C=C1Br	REAL300017815935	0	31	-1.0	-46.92	301.21	4.04	-42.88
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300017815936	0	33	-1.0	-49.46	320.13	5.58	-43.88
CC1=CC=CC(Cl)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815937	0	31	-1.0	-47.53	287.09	4.46	-43.07
O=C([O-])C(F)CCNS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300017815938	0	35	-1.0	-47.97	314.56	5.22	-42.75
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C12	REAL300017815939	0	43	-1.0	-52.56	386.86	6.34	-46.22
O=C([O-])C(F)CCNS(=O)(=O)CCOCC1CCCC1	REAL300017815940	0	41	-1.0	-48.77	348.20	3.55	-45.22
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300017815941	0	32	-1.0	-46.57	300.54	3.27	-43.30
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300017815942	0	33	-1.0	-49.74	293.56	2.97	-46.77
COC(=O)CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017815943	0	37	-1.0	-51.52	345.87	4.58	-46.94
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300017815944	0	37	-1.0	-48.08	334.52	6.09	-41.99
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300017815945	0	32	-1.0	-46.36	310.86	3.72	-42.64
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300017815946	0	34	-1.0	-49.00	323.16	6.04	-42.96
CC1=CC(F)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(F)=C1	REAL300017815947	1	31	-1.0	-48.95	293.78	4.04	-44.91
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300017815948	0	42	-1.0	-49.78	372.06	6.16	-43.62
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815949	0	45	-1.0	-55.85	406.77	1.61	-54.24
N#CC1=CC=C(CS(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815950	0	32	-1.0	-51.13	308.07	4.20	-46.93
CN(C)C(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815951	0	38	-1.0	-51.35	333.33	2.91	-48.44
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300017815952	0	31	-1.0	-51.05	304.35	4.32	-46.73
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017815953	0	28	-1.0	-46.51	278.45	3.37	-43.14
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300017815954	0	39	-1.0	-54.35	351.93	3.08	-51.27
COC1=CC=C(F)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815955	0	32	-1.0	-47.81	290.38	2.99	-44.82
CCC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017815956	0	36	-1.0	-50.62	326.28	4.92	-45.70
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300017815957	0	33	-1.0	-50.64	300.18	3.65	-46.99
CC(=O)NC1=NC=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017815958	0	31	-1.0	-54.94	308.81	0.59	-54.35
CC1C(=O)NC2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C21	REAL300017815960	0	36	-1.0	-49.60	326.41	2.14	-47.46
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300017815961	0	34	-1.0	-49.53	314.19	0.32	-49.21
CC(C)CCC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815962	0	43	-1.0	-46.40	367.31	6.61	-39.79
CC(=O)N1CCC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C21	REAL300017815963	0	39	-1.0	-54.54	342.71	4.15	-50.39
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2)=C1	REAL300017815964	0	42	-1.0	-47.95	373.55	6.61	-41.34
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300017815965	0	33	-1.0	-48.01	299.37	2.96	-45.05
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300017815966	0	39	-1.0	-54.41	341.68	4.22	-50.19
N#CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(F)(F)F	REAL300017815967	0	32	-1.0	-48.18	320.52	4.28	-43.90
CN1C(=O)CC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C21	REAL300017815968	0	36	-1.0	-50.24	327.16	3.56	-46.68
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300017815969	0	33	-1.0	-51.17	311.15	4.59	-46.58
CN1C(=O)OC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C21	REAL300017815970	0	34	-1.0	-52.47	317.99	3.06	-49.41
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1	REAL300017815971	0	33	-1.0	-49.26	321.70	3.92	-45.34
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300017815972	0	32	-1.0	-46.70	309.45	2.89	-43.81
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(I)=C1	REAL300017815973	0	28	-1.0	-46.65	291.66	4.19	-42.46
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300017815974	0	30	-1.0	-46.94	293.34	3.82	-43.12
CC(=O)NCC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017815975	0	35	-1.0	-51.98	338.17	1.26	-50.72
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815976	0	38	-1.0	-57.12	335.18	2.89	-54.23
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017815977	0	25	-1.0	-43.60	275.95	2.82	-40.78
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815978	0	44	-1.0	-51.77	378.58	4.02	-47.75
CC(=O)N1CCCC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C21	REAL300017815979	0	42	-1.0	-54.57	355.42	4.66	-49.91
COC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815980	0	34	-1.0	-48.11	318.62	3.76	-44.35
CNC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815981	0	35	-1.0	-51.42	319.88	1.37	-50.05
NC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815982	0	32	-1.0	-51.42	297.96	-0.13	-51.55
CC(=O)N1C2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2CC1C	REAL300017815983	0	42	-1.0	-53.89	358.44	4.67	-49.22
COC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017815984	0	31	-1.0	-48.03	311.31	2.85	-45.18
CCOC(=O)C1=CNN=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815985	0	34	-1.0	-57.11	315.84	1.65	-55.46
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300017815986	0	34	-1.0	-54.39	320.42	0.09	-54.30
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)C=C2NC(=O)COC2=C1	REAL300017815987	0	34	-1.0	-49.45	315.77	0.38	-49.07
CC1=CC2=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C2N=C1	REAL300017815988	0	36	-1.0	-52.74	317.43	4.86	-47.88
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300017815989	0	34	-1.0	-52.06	310.32	3.88	-48.18
COC1=CC(Cl)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815990	0	32	-1.0	-47.51	300.70	3.44	-44.07
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300017815991	0	32	-1.0	-48.01	300.93	3.42	-44.59
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815992	0	33	-1.0	-53.69	318.05	-1.94	-55.63
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300017815993	0	40	-1.0	-53.24	372.88	0.95	-52.29
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300017815994	0	33	-1.0	-51.80	315.43	4.48	-47.32
CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(Cl)=C1	REAL300017815995	0	31	-1.0	-48.52	286.94	3.82	-44.70
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300017815996	0	34	-1.0	-54.22	319.37	-0.52	-54.74
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300017815997	0	28	-1.0	-51.00	295.92	3.19	-47.81
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815998	0	34	-1.0	-55.13	324.15	0.62	-54.51
CN1C(=O)C2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2C1=O	REAL300017815999	0	35	-1.0	-50.64	329.49	2.36	-48.28
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816000	0	36	-1.0	-49.38	331.66	4.66	-44.72
CC1=CC=C(CS(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017816156	0	34	-1.0	-51.31	313.94	4.52	-46.79
CC1=C(Br)C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017816157	0	33	-1.0	-46.68	328.20	4.90	-41.78
N#CCC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816158	0	32	-1.0	-52.65	306.11	4.27	-48.38
COC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC(F)=C1F	REAL300017816159	0	34	-1.0	-48.36	329.06	3.83	-44.53
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017816160	0	40	-1.0	-50.63	348.25	4.54	-46.09
O=C([O-])C(F)CCNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017816161	0	46	-1.0	-45.42	350.60	4.76	-40.66
CC1=NC2=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=CC=C2C=C1	REAL300017816162	0	36	-1.0	-53.48	316.68	4.77	-48.71
O=C([O-])C(F)CCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017816163	0	36	-1.0	-56.82	328.79	4.99	-51.83
O=C([O-])C(F)CCNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017816164	0	39	-1.0	-49.13	340.61	1.64	-47.49
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816165	0	42	-1.0	-50.50	377.81	4.23	-46.27
N#CC1=CC(F)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Br	REAL300017816166	0	29	-1.0	-46.30	302.56	3.75	-42.55
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1Cl	REAL300017816167	0	31	-1.0	-45.47	299.34	4.20	-41.27
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017816168	0	34	-1.0	-55.04	311.57	4.08	-50.96
CC1=CSC(C2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2)=N1	REAL300017816169	0	37	-1.0	-49.34	349.69	4.56	-44.78
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1F	REAL300017816170	0	34	-1.0	-51.01	331.41	3.98	-47.03
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816171	0	37	-1.0	-50.60	336.75	4.13	-46.47
CC1=C(Br)C=CC=C1CS(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816172	0	34	-1.0	-48.45	320.06	4.98	-43.47
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017816173	0	31	-1.0	-48.13	307.50	4.32	-43.81
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017816174	0	28	-1.0	-44.58	301.48	4.23	-40.35
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816175	0	35	-1.0	-55.18	319.39	0.53	-54.65
CCCCCCCCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816176	0	53	-1.0	-46.94	443.81	8.02	-38.92
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816177	0	43	-1.0	-50.14	373.72	5.44	-44.70
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816178	0	38	-1.0	-47.08	348.31	5.25	-41.83
O=C([O-])C(F)CCNS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017816179	0	34	-1.0	-49.35	315.13	4.67	-44.68
O=C([O-])C(F)CCNS(=O)(=O)CCC1=CC=CC=C1F	REAL300017816180	0	34	-1.0	-51.37	314.68	4.64	-46.73
O=C([O-])C(F)CCNS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017816181	0	34	-1.0	-50.48	321.40	4.96	-45.52
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816182	0	32	-1.0	-46.36	311.40	3.60	-42.76
COC1=CC2=C(C=C1S(=O)(=O)NCCC(F)C(=O)[O-])C(=O)NCCC2	REAL300017816183	0	43	-1.0	-54.30	360.09	2.01	-52.29
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCCC(F)C(=O)[O-])S2)C1	REAL300017816184	0	39	-1.0	-51.59	353.68	3.53	-48.06
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017816185	0	35	-1.0	-48.51	333.70	5.37	-43.14
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017816186	0	31	-1.0	-47.77	310.72	4.44	-43.33
CCC(C)OC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816187	0	41	-1.0	-48.74	353.49	4.75	-43.99
CC(CC(F)(F)F)CS(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816188	0	33	-1.0	-49.68	298.71	3.32	-46.36
O=C([O-])C(F)CCNS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017816189	0	35	-1.0	-52.01	329.74	4.90	-47.11
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C2)=N1	REAL300017816190	0	40	-1.0	-50.50	356.56	3.10	-47.40
COC1=CC(F)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816191	0	32	-1.0	-47.38	290.79	2.99	-44.39
COC(=O)C1=C(C)C=C(S(=O)(=O)NCCC(F)C(=O)[O-])O1	REAL300017816192	0	34	-1.0	-48.60	320.89	2.46	-46.14
CCC1=NC(S(=O)(=O)NCCC(F)C(=O)[O-])=CN1CC1CC1	REAL300017816193	0	41	-1.0	-52.48	355.49	5.03	-47.45
CC(=O)N1CC2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2C1	REAL300017816194	0	39	-1.0	-53.69	348.46	3.65	-50.04
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017816195	0	31	-1.0	-46.78	303.20	2.60	-44.18
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017816196	0	31	-1.0	-56.16	313.33	2.91	-53.25
CCCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(C)C	REAL300017816197	0	47	-1.0	-46.88	394.92	6.14	-40.74
CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017816198	0	36	-1.0	-49.16	326.59	5.56	-43.60
CN1N=CC(C2CC2)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816199	0	35	-1.0	-46.09	310.43	2.98	-43.11
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017816200	0	41	-1.0	-47.17	364.42	5.42	-41.75
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017816201	0	42	-1.0	-49.39	380.94	6.45	-42.94
COC(CS(=O)(=O)NCCC(F)C(=O)[O-])C1=CC=C(F)C=C1	REAL300017816202	0	38	-1.0	-50.50	345.68	4.22	-46.28
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017816203	0	40	-1.0	-50.73	347.93	4.53	-46.20
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Cl	REAL300017816204	0	36	-1.0	-48.69	345.36	1.99	-46.70
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=CC=C12	REAL300017816205	0	40	-1.0	-49.70	354.54	5.96	-43.74
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C	REAL300017816206	0	39	-1.0	-50.75	349.58	2.29	-48.46
O=C([O-])C(F)CCNS(=O)(=O)CC1(C(F)F)CCCC1	REAL300017816207	0	37	-1.0	-48.51	310.24	4.44	-44.07
CCOC1(CS(=O)(=O)NCCC(F)C(=O)[O-])CCOCC1	REAL300017816208	0	42	-1.0	-48.76	341.46	1.84	-46.92
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1F	REAL300017816209	1	34	-1.0	-51.07	321.49	3.53	-47.54
CC(=O)N1CCC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(Cl)C=C21	REAL300017816210	0	39	-1.0	-57.82	344.77	4.21	-53.61
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816211	0	31	-1.0	-46.03	305.48	1.71	-44.32
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017816212	0	39	-1.0	-49.69	364.09	7.19	-42.50
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816213	0	31	-1.0	-46.30	305.24	4.67	-41.63
CC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1Br	REAL300017816214	0	31	-1.0	-48.33	298.12	4.41	-43.92
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816215	0	34	-1.0	-52.79	322.19	4.23	-48.56
O=C([O-])C(F)CCNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017816216	0	36	-1.0	-48.37	321.90	0.84	-47.53
COC1=CC(Br)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816217	0	32	-1.0	-46.40	314.66	3.02	-43.38
COC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017816218	0	34	-1.0	-49.00	319.39	3.84	-45.16
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816219	0	34	-1.0	-46.90	317.26	5.00	-41.90
COCCN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=N1	REAL300017816220	0	35	-1.0	-48.81	323.62	0.70	-48.11
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816221	0	41	-1.0	-47.82	354.96	4.60	-43.22
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017816222	0	35	-1.0	-51.68	328.24	3.64	-48.04
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1C	REAL300017816223	0	55	-1.0	-48.97	450.95	7.66	-41.31
O=C([O-])C(F)CCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017816224	0	36	-1.0	-53.02	336.93	5.27	-47.75
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017816225	0	28	-1.0	-45.65	290.47	3.76	-41.89
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017816226	0	31	-1.0	-51.26	299.35	3.91	-47.35
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017816227	0	35	-1.0	-59.62	328.49	0.96	-58.66
CCN1C(=O)OC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C21	REAL300017816228	0	37	-1.0	-52.58	339.39	4.05	-48.53
CC1=C(Br)C=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816229	0	31	-1.0	-46.60	296.90	4.39	-42.21
COCC1=CC=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816230	0	35	-1.0	-47.32	310.40	3.22	-44.10
COC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1Br	REAL300017816231	0	32	-1.0	-46.25	313.79	3.07	-43.18
CS(=O)(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(Cl)S1	REAL300017816232	0	31	-1.0	-52.50	321.69	-0.22	-52.72
O=C([O-])C(F)CCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017816233	0	31	-1.0	-52.15	307.82	2.16	-49.99
CC1(C)CC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C2O1	REAL300017816234	0	39	-1.0	-47.98	341.33	4.35	-43.63
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017816235	0	36	-1.0	-51.06	342.42	-0.13	-51.19
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(OC)=C1	REAL300017816236	0	43	-1.0	-54.27	378.77	0.55	-53.72
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017816237	0	47	-1.0	-54.47	418.70	4.08	-50.39
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300017816238	0	43	-1.0	-58.65	369.99	4.20	-54.45
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017816239	0	39	-1.0	-49.86	364.29	0.77	-49.09
CCC(=O)NCC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1OC	REAL300017816240	0	45	-1.0	-53.24	394.78	2.26	-50.98
CCC1=CC=C(CS(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816241	0	37	-1.0	-48.92	330.50	5.26	-43.66
COC1=CC=C(Br)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816242	0	32	-1.0	-48.07	309.40	3.13	-44.94
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017816243	0	43	-1.0	-50.55	377.22	3.53	-47.02
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816244	0	37	-1.0	-53.24	346.03	1.52	-51.72
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017816245	0	30	-1.0	-46.59	312.14	3.01	-43.58
CC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1Br	REAL300017816246	0	33	-1.0	-47.78	320.65	4.12	-43.66
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816247	0	33	-1.0	-52.83	306.31	3.56	-49.27
N#CC1=CC(Br)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816248	0	29	-1.0	-46.33	305.98	4.11	-42.22
CCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Br	REAL300017816249	0	35	-1.0	-47.35	335.22	3.99	-43.36
O=C([O-])C(F)CCNS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017816250	0	42	-1.0	-53.63	380.70	2.53	-51.10
O=C([O-])C(F)CCNS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017816251	0	31	-1.0	-52.48	297.85	3.87	-48.61
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816252	0	41	-1.0	-48.35	374.42	4.68	-43.67
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017816253	0	28	-1.0	-44.53	294.24	4.50	-40.03
COC1=C(C)C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C	REAL300017816254	0	38	-1.0	-47.66	337.44	3.98	-43.68
CC(C)CCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816255	0	44	-1.0	-47.02	375.38	5.42	-41.60
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017816256	0	42	-1.0	-46.48	358.51	5.32	-41.16
CC(C)COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816257	0	41	-1.0	-46.84	356.83	4.82	-42.02
CCCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816258	0	38	-1.0	-47.14	336.32	4.12	-43.02
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Cl	REAL300017816259	0	32	-1.0	-47.67	308.98	2.95	-44.72
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017816260	0	32	-1.0	-48.27	318.74	3.22	-45.05
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C	REAL300017816261	0	35	-1.0	-47.76	313.03	3.14	-44.62
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1OC(C)C	REAL300017816262	0	41	-1.0	-47.31	352.82	4.69	-42.62
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C)=C1	REAL300017816263	0	35	-1.0	-47.92	308.06	3.30	-44.62
COCCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816264	0	39	-1.0	-49.59	348.85	2.60	-46.99
COCCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C	REAL300017816265	0	42	-1.0	-49.75	368.51	3.33	-46.42
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816266	0	39	-1.0	-54.71	354.62	2.77	-51.94
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017816267	0	43	-1.0	-50.06	369.98	2.60	-47.46
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816268	0	38	-1.0	-55.33	335.28	2.95	-52.38
CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(Br)=C1	REAL300017816269	0	31	-1.0	-47.73	301.74	4.51	-43.22
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816270	0	34	-1.0	-53.82	326.23	0.68	-53.14
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816271	0	34	-1.0	-49.65	324.39	5.11	-44.54
N#CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Cl	REAL300017816272	0	29	-1.0	-47.45	299.67	3.90	-43.55
CC1=CC(Br)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816273	0	31	-1.0	-45.91	299.85	4.61	-41.30
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1C	REAL300017816274	0	36	-1.0	-52.10	315.05	5.84	-46.26
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816275	0	34	-1.0	-49.16	320.25	3.81	-45.35
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816276	0	37	-1.0	-55.79	338.89	1.51	-54.28
N#CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C(F)(F)F)=C1	REAL300017816277	0	32	-1.0	-48.85	309.06	5.06	-43.79
N#CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1Cl	REAL300017816278	0	29	-1.0	-48.14	300.10	3.90	-44.24
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816279	0	44	-1.0	-51.10	375.68	4.86	-46.24
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017816280	0	40	-1.0	-52.04	372.89	0.94	-51.10
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816281	0	36	-1.0	-52.06	340.47	-0.73	-52.79
CC(=O)NCCC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017816282	0	38	-1.0	-55.19	359.67	2.04	-53.15
COC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])O1	REAL300017816283	0	31	-1.0	-49.29	303.00	1.88	-47.41
O=C([O-])C(F)CCNS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017816284	1	30	-1.0	-54.79	285.28	4.47	-50.32
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017816285	0	31	-1.0	-48.01	321.10	4.82	-43.19
CCOC(=O)C1=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C(C)N1	REAL300017816286	0	41	-1.0	-49.22	359.87	3.77	-45.45
O=C([O-])C(F)CCNS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017816287	0	28	-1.0	-49.63	280.31	3.92	-45.71
CC1=NC(C2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])S2)=CS1	REAL300017816288	0	34	-1.0	-48.89	343.31	3.66	-45.23
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017816289	0	48	-1.0	-46.74	398.03	6.71	-40.03
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300017816290	0	38	-1.0	-53.09	360.72	2.67	-50.42
COC(=O)C1=CC=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816291	0	37	-1.0	-51.33	332.90	4.65	-46.68
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017816292	0	30	-1.0	-49.45	298.11	5.11	-44.34
COC1=CC(F)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1OC	REAL300017816293	0	36	-1.0	-49.18	320.40	2.06	-47.12
COC1=CC(C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1OC	REAL300017816294	0	39	-1.0	-49.74	336.92	3.21	-46.53
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017816295	1	30	-1.0	-47.40	309.99	5.82	-41.58
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816296	0	36	-1.0	-52.51	317.43	4.87	-47.64
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017816297	0	31	-1.0	-52.62	303.39	4.00	-48.62
CN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(N)=O	REAL300017816298	0	33	-1.0	-51.94	305.41	-0.75	-52.69
CC1=CC(Cl)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816299	0	31	-1.0	-45.97	295.29	4.51	-41.46
CCOC(=O)C1CCCN1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816300	0	39	-1.0	-51.01	338.86	3.49	-47.52
CNC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CN1C	REAL300017816301	0	36	-1.0	-51.90	327.76	0.75	-51.15
COC1=CC(C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C)=C1	REAL300017816302	0	38	-1.0	-47.11	319.02	3.89	-43.22
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300017816303	0	36	-1.0	-51.28	325.32	2.34	-48.94
COC(=O)C1=CC=C(CS(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816304	0	37	-1.0	-51.99	342.02	4.47	-47.52
COC(=O)C1CCN(S(=O)(=O)NCCC(F)C(=O)[O-])CC1	REAL300017816305	0	39	-1.0	-50.82	334.31	2.80	-48.02
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017816306	0	39	-1.0	-50.35	338.97	3.23	-47.12
COC(=O)C1=CC=CC(CS(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816307	0	37	-1.0	-56.20	342.03	4.46	-51.74
CCOC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])O1	REAL300017816308	0	34	-1.0	-49.11	324.86	2.81	-46.30
COC(=O)CCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816309	0	41	-1.0	-50.19	370.28	4.17	-46.02
COC1=CC(C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C	REAL300017816310	0	38	-1.0	-48.08	328.57	3.91	-44.17
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017816311	0	32	-1.0	-53.88	302.22	3.47	-50.41
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017816312	0	31	-1.0	-49.64	301.57	5.24	-44.40
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017816313	0	30	-1.0	-49.49	302.27	5.21	-44.28
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816314	0	33	-1.0	-53.21	297.13	5.44	-47.77
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017816315	0	30	-1.0	-46.08	308.15	4.50	-41.58
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Br)C=CS1	REAL300017816316	0	25	-1.0	-46.35	271.61	2.51	-43.84
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017816317	0	32	-1.0	-49.88	301.69	3.46	-46.42
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300017816318	0	36	-1.0	-48.56	309.40	4.28	-44.28
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017816319	0	30	-1.0	-50.58	299.33	2.45	-48.13
O=C([O-])C(F)CCNS(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300017816320	0	36	-1.0	-51.74	321.51	2.04	-49.70
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017816321	0	27	-1.0	-45.88	281.69	1.88	-44.00
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017816322	0	30	-1.0	-47.84	290.35	3.53	-44.31
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017816323	0	30	-1.0	-47.01	307.86	4.22	-42.79
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816324	0	37	-1.0	-51.95	342.28	1.55	-50.40
CCN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017816325	0	33	-1.0	-54.09	313.88	3.98	-50.11
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017816326	0	30	-1.0	-54.24	297.06	4.47	-49.77
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017816327	0	30	-1.0	-46.06	298.48	3.84	-42.22
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017816328	0	35	-1.0	-48.56	334.37	3.78	-44.78
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017816329	0	30	-1.0	-49.81	302.67	5.21	-44.60
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017816330	0	42	-1.0	-48.11	375.12	6.38	-41.73
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(F)=C1	REAL300017816331	0	36	-1.0	-57.31	335.25	-0.44	-57.75
CCC(=O)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816332	0	36	-1.0	-53.99	326.95	4.37	-49.62
CCOC(=O)N1CCN(S(=O)(=O)NCCC(F)C(=O)[O-])CC1	REAL300017816333	0	41	-1.0	-49.30	349.06	1.83	-47.47
COC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017816334	0	37	-1.0	-49.80	342.52	4.33	-45.47
O=C([O-])C(F)CCNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017816335	0	38	-1.0	-49.81	349.84	4.65	-45.16
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017816336	0	31	-1.0	-60.74	291.65	2.29	-58.45
CC(C)CCN(CCC(C)C)S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816337	0	50	-1.0	-45.55	397.85	5.95	-39.60
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816338	0	34	-1.0	-49.51	335.06	4.50	-45.01
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816339	0	36	-1.0	-53.76	340.94	-0.28	-54.04
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300017816340	0	43	-1.0	-54.20	385.79	2.23	-51.97
CS(=O)(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1F	REAL300017816341	0	34	-1.0	-53.13	328.96	0.64	-52.49
COC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1Br	REAL300017816342	0	34	-1.0	-47.99	334.52	4.22	-43.77
CCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C2=CC=CC=C12	REAL300017816343	0	41	-1.0	-49.35	355.04	5.73	-43.62
CCOC1=CC=C(C)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816344	0	38	-1.0	-48.80	326.95	4.50	-44.30
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017816345	0	33	-1.0	-57.64	312.15	3.28	-54.36
O=C([O-])C(F)CCNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017816346	0	35	-1.0	-51.13	324.02	4.21	-46.92
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017816347	0	30	-1.0	-49.47	307.86	4.21	-45.26
N#CC1=C(F)C=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816348	0	29	-1.0	-55.38	274.95	2.88	-52.50
CCOCCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816349	0	42	-1.0	-48.86	370.69	3.56	-45.30
CCCCCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816350	0	44	-1.0	-46.78	379.72	5.69	-41.09
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017816351	1	30	-1.0	-53.22	293.63	5.00	-48.22
COC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1F	REAL300017816352	0	34	-1.0	-49.55	322.79	3.77	-45.78
COC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(Cl)C=C1Cl	REAL300017816353	0	34	-1.0	-45.61	332.76	4.20	-41.41
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816354	0	38	-1.0	-51.67	338.64	3.56	-48.11
COC(=O)CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017816355	0	34	-1.0	-52.34	333.22	3.71	-48.63
COC(=O)C1=CSC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816356	0	31	-1.0	-49.13	311.50	2.76	-46.37
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816357	0	40	-1.0	-52.22	349.79	5.16	-47.06
COC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1Cl	REAL300017816358	0	34	-1.0	-48.25	330.78	4.13	-44.12
COC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1C	REAL300017816359	0	37	-1.0	-48.47	334.70	4.28	-44.19
COC(=O)C1=CC=C(F)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816360	0	34	-1.0	-50.07	316.46	3.50	-46.57
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017816361	0	38	-1.0	-47.07	319.12	5.77	-41.30
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017816362	0	34	-1.0	-50.98	311.84	4.91	-46.07
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=CC(Br)=C1	REAL300017816363	0	27	-1.0	-45.48	280.18	1.90	-43.58
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017816364	0	32	-1.0	-46.09	319.83	4.56	-41.53
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2COCC2=C1	REAL300017816365	0	33	-1.0	-48.18	299.42	2.39	-45.79
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017816366	0	33	-1.0	-48.75	314.54	-1.43	-50.18
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2S1	REAL300017816367	0	42	-1.0	-47.97	376.87	5.05	-42.92
COC(=O)CC1(CS(=O)(=O)NCCC(F)C(=O)[O-])CC1	REAL300017816368	0	37	-1.0	-49.35	328.61	3.62	-45.73
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816369	0	33	-1.0	-49.76	320.41	3.22	-46.54
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(F)C=C1F	REAL300017816370	0	31	-1.0	-46.14	288.43	3.55	-42.59
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816371	0	35	-1.0	-48.33	323.84	4.11	-44.22
CC(C)N1N=CC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C21	REAL300017816372	0	40	-1.0	-49.34	354.18	4.62	-44.72
CCCCCCN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(=O)NC1=O	REAL300017816373	0	46	-1.0	-54.89	394.86	3.71	-51.18
CC1=CN(C2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2F)N=C1	REAL300017816374	0	38	-1.0	-53.28	348.48	5.13	-48.15
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017816375	0	35	-1.0	-49.25	336.98	2.02	-47.23
CCS(=O)(=O)NCCS(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816376	0	35	-1.0	-56.05	327.30	-2.16	-58.21
CC1=CC(F)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017816377	0	31	-1.0	-47.19	288.84	3.57	-43.62
CC1=CC(Cl)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017816378	0	33	-1.0	-47.39	309.80	4.34	-43.05
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Br)O1	REAL300017816379	1	25	-1.0	-47.23	268.24	1.82	-45.41
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300017816380	0	34	-1.0	-48.26	317.63	4.37	-43.89
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017816381	0	25	-1.0	-43.37	280.99	2.93	-40.44
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017816382	0	31	-1.0	-47.32	309.19	4.59	-42.73
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017816383	0	31	-1.0	-47.18	319.10	5.03	-42.15
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017816384	0	34	-1.0	-46.99	327.30	5.84	-41.15
O=C([O-])C(F)CCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017816385	0	31	-1.0	-47.85	306.62	4.51	-43.34
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017816386	0	34	-1.0	-49.68	310.10	5.92	-43.76
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017816387	0	34	-1.0	-50.88	321.56	5.96	-44.92
CN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017816388	0	39	-1.0	-50.90	368.15	2.05	-48.85
CCOC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CN1C	REAL300017816389	0	38	-1.0	-52.34	346.50	4.12	-48.22
CCOC(=O)C1CC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C2O1	REAL300017816390	0	42	-1.0	-51.74	377.35	5.34	-46.40
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017816391	0	34	-1.0	-51.95	328.97	0.64	-51.31
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816392	0	37	-1.0	-55.27	353.23	3.03	-52.24
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816393	0	41	-1.0	-53.08	371.28	4.67	-48.41
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])SC2=CC=CC(F)=C12	REAL300017816394	0	34	-1.0	-49.00	319.47	4.97	-44.03
O=C([O-])C(F)CCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017816395	0	39	-1.0	-54.82	363.87	0.17	-54.65
N#CC1=CC(F)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(F)=C1	REAL300017816396	1	29	-1.0	-47.34	293.16	3.77	-43.57
CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1N(C)C	REAL300017816397	0	39	-1.0	-46.68	338.47	3.75	-42.93
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816398	0	33	-1.0	-49.40	319.33	5.06	-44.34
CSC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Cl	REAL300017816399	0	32	-1.0	-46.94	319.08	4.57	-42.37
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816400	0	31	-1.0	-60.84	293.60	3.25	-57.59
O=C([O-])C(F)CCNS(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017816401	0	40	-1.0	-50.97	364.94	5.59	-45.38
CN(C)C1=CC=C(Br)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816402	0	36	-1.0	-47.89	331.38	4.24	-43.65
CC1=NN2C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=NC2=C1Cl	REAL300017816403	0	33	-1.0	-49.70	323.31	2.96	-46.74
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816404	0	34	-1.0	-49.21	324.62	5.11	-44.10
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816405	0	40	-1.0	-48.34	337.29	3.57	-44.77
CCC1=NOC2=NC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C12	REAL300017816406	0	35	-1.0	-50.61	325.10	0.81	-49.80
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017816407	0	33	-1.0	-48.50	316.52	4.41	-44.09
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017816408	0	34	-1.0	-47.02	330.65	5.97	-41.05
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816409	0	34	-1.0	-49.29	314.29	4.68	-44.61
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017816410	0	31	-1.0	-60.82	301.10	2.95	-57.87
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017816411	0	31	-1.0	-49.21	320.66	4.87	-44.34
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816412	1	43	-1.0	-52.50	383.29	0.35	-52.15
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816413	0	36	-1.0	-58.24	335.45	1.21	-57.03
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017816414	0	27	-1.0	-44.09	277.83	1.79	-42.30
COC(=O)C1CCCCC1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816415	0	40	-1.0	-51.41	335.71	4.74	-46.67
COC(=O)C1(C2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2)CC1	REAL300017816416	0	41	-1.0	-49.99	362.19	5.73	-44.26
O=C([O-])C(F)CCNS(=O)(=O)C1=CN2CCCCC2=N1	REAL300017816417	0	35	-1.0	-53.40	309.64	3.13	-50.27
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816418	0	32	-1.0	-52.44	322.24	4.56	-47.88
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017816419	0	34	-1.0	-47.39	332.47	1.19	-46.20
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816420	0	32	-1.0	-46.58	310.99	3.59	-42.99
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017816421	0	37	-1.0	-54.19	329.90	6.84	-47.35
CCC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C(C(=O)OC)O1	REAL300017816422	0	37	-1.0	-48.28	343.10	3.43	-44.85
O=C([O-])C(F)CCNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017816423	0	45	-1.0	-56.65	380.70	5.01	-51.64
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C)=C1F	REAL300017816424	0	35	-1.0	-48.50	312.62	3.34	-45.16
O=C([O-])C(F)CCNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017816425	0	48	-1.0	-53.21	382.81	4.69	-48.52
O=C([O-])C(F)CCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017816426	0	42	-1.0	-51.70	357.25	3.36	-48.34
O=C([O-])C(F)CCNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017816427	0	39	-1.0	-53.25	362.86	3.88	-49.37
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816428	0	36	-1.0	-49.15	335.69	5.25	-43.90
N#CC1(CS(=O)(=O)NCCC(F)C(=O)[O-])CCCCC1	REAL300017816429	0	38	-1.0	-56.04	318.47	3.99	-52.05
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017816430	0	37	-1.0	-47.86	325.91	4.52	-43.34
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300017816431	0	43	-1.0	-49.97	378.43	4.49	-45.48
O=C([O-])C(F)CCNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017816432	0	31	-1.0	-50.47	302.52	1.94	-48.53
COC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1F	REAL300017816433	0	32	-1.0	-47.22	299.19	2.47	-44.75
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816434	0	39	-1.0	-51.20	354.23	3.19	-48.01
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816435	0	42	-1.0	-48.73	371.38	4.33	-44.40
CC(C)C1=CC=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816436	0	37	-1.0	-47.92	317.41	5.19	-42.73
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017816437	0	42	-1.0	-49.00	368.53	6.40	-42.60
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017816438	1	28	-1.0	-45.01	298.24	3.94	-41.07
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C2O1	REAL300017816439	0	43	-1.0	-48.70	387.57	5.77	-42.93
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816440	0	40	-1.0	-50.91	355.17	5.58	-45.33
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017816441	0	28	-1.0	-47.32	287.56	3.71	-43.61
CC1=C(Cl)SC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816442	0	28	-1.0	-45.32	292.43	3.31	-42.01
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(F)=C1	REAL300017816443	0	32	-1.0	-49.65	291.60	2.15	-47.50
CC1=CC=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1[N+](=O)[O-]	REAL300017816444	0	36	-1.0	-53.42	319.63	6.07	-47.35
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017816445	0	34	-1.0	-48.43	324.47	4.89	-43.54
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017816446	0	38	-1.0	-45.68	349.10	6.07	-39.61
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816447	0	36	-1.0	-50.68	330.63	1.31	-49.37
CN(C)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816448	0	36	-1.0	-48.73	315.98	3.51	-45.22
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017816449	0	34	-1.0	-49.12	309.16	3.61	-45.51
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017816451	0	31	-1.0	-48.70	296.05	3.97	-44.73
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017816452	0	31	-1.0	-44.88	318.93	4.61	-40.27
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017816453	0	31	-1.0	-47.17	300.46	3.85	-43.32
CC1=CC(Br)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816454	0	31	-1.0	-46.09	306.58	4.38	-41.71
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816455	0	39	-1.0	-52.41	329.41	1.08	-51.33
CSC1=CC=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816456	0	32	-1.0	-48.81	287.79	3.28	-45.53
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Br	REAL300017816457	0	35	-1.0	-50.66	337.46	2.75	-47.91
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816458	0	39	-1.0	-59.88	343.84	3.11	-56.77
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017816459	0	40	-1.0	-54.26	336.48	1.93	-52.33
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300017816460	0	34	-1.0	-48.76	344.32	1.22	-47.54
COC1=C(F)C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017816461	0	34	-1.0	-47.39	327.34	3.93	-43.46
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017816462	0	38	-1.0	-49.18	354.57	2.45	-46.73
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017816463	0	39	-1.0	-57.06	362.36	4.91	-52.15
COC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(OC)=C1	REAL300017816464	0	38	-1.0	-49.84	339.07	3.58	-46.26
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816465	0	31	-1.0	-46.25	305.24	4.68	-41.57
CC1=CC(C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017816466	0	36	-1.0	-51.37	322.17	5.18	-46.19
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017816467	0	36	-1.0	-55.49	327.50	4.36	-51.13
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816468	0	44	-1.0	-57.16	400.31	1.77	-55.39
O=C([O-])C(F)CCNS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017816469	0	34	-1.0	-56.14	307.81	-0.45	-56.59
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C21	REAL300017816470	0	38	-1.0	-52.52	344.11	4.01	-48.51
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017816471	0	33	-1.0	-54.21	312.13	3.28	-50.93
COC1=CC(F)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(F)=C1	REAL300017816472	1	32	-1.0	-47.76	301.86	2.67	-45.09
CCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C)=C1	REAL300017816473	0	38	-1.0	-47.62	329.92	4.22	-43.40
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816474	0	36	-1.0	-53.56	340.08	-0.75	-54.31
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816475	0	37	-1.0	-52.29	335.44	4.68	-47.61
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017816476	0	32	-1.0	-48.77	293.74	3.19	-45.58
CSC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816477	0	32	-1.0	-47.05	303.64	4.11	-42.94
CCCOC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816478	0	40	-1.0	-47.59	361.98	5.48	-42.11
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300017816479	0	34	-1.0	-47.94	324.77	3.00	-44.94
CCC(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816480	0	38	-1.0	-52.46	340.50	2.80	-49.66
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017816481	0	34	-1.0	-51.96	326.68	4.83	-47.13
CCN(CC1=CC=CC=C1)S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816482	0	39	-1.0	-47.57	333.77	4.86	-42.71
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017816483	0	27	-1.0	-48.06	277.20	1.71	-46.35
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017816484	0	34	-1.0	-49.77	297.90	2.65	-47.12
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017816485	0	33	-1.0	-49.19	299.98	3.56	-45.63
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017816486	0	40	-1.0	-49.85	357.18	5.08	-44.77
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017816487	0	28	-1.0	-46.40	283.02	3.47	-42.93
CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(F)(F)F	REAL300017816488	0	34	-1.0	-47.53	317.88	4.62	-42.91
O=C([O-])C(F)CCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017816489	0	34	-1.0	-49.89	336.70	3.84	-46.05
CC1=NN(C)C2=NC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C12	REAL300017816490	0	36	-1.0	-49.55	330.18	2.82	-46.73
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017816491	0	31	-1.0	-50.98	313.83	4.47	-46.51
CC1=NOC2=NC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C12	REAL300017816492	0	32	-1.0	-50.41	303.61	0.08	-50.33
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017816493	0	37	-1.0	-48.39	345.01	5.94	-42.45
COCC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816494	0	35	-1.0	-49.03	318.52	2.81	-46.22
O=C([O-])C(F)CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017816495	0	30	-1.0	-47.49	308.15	4.51	-42.98
COC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(C(=O)OC)S1	REAL300017816496	0	37	-1.0	-50.63	359.19	4.31	-46.32
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816497	0	34	-1.0	-49.67	314.47	4.66	-45.01
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017816498	0	31	-1.0	-50.46	300.79	4.25	-46.21
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017816499	0	40	-1.0	-60.75	360.05	1.60	-59.15
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017816500	0	35	-1.0	-49.10	333.21	3.60	-45.50
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017816501	0	28	-1.0	-45.61	286.42	3.78	-41.83
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CN=C21	REAL300017816502	0	36	-1.0	-48.90	333.13	0.51	-48.39
CCOC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1F	REAL300017816538	0	37	-1.0	-49.33	345.07	4.70	-44.63
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017816539	0	36	-1.0	-51.44	325.71	3.74	-47.70
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017816540	0	28	-1.0	-45.81	271.93	3.23	-42.58
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816541	0	47	-1.0	-55.75	357.57	5.56	-50.19
O=C([O-])C(F)CCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017816542	0	31	-1.0	-49.92	314.53	4.71	-45.21
N#CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(Cl)=C1	REAL300017816543	0	29	-1.0	-48.31	286.28	3.55	-44.76
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Cl	REAL300017816544	0	35	-1.0	-52.33	331.83	2.37	-49.96
CC1CC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C2O1	REAL300017816545	0	36	-1.0	-47.95	320.51	3.70	-44.25
COC1=CC(Cl)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Cl	REAL300017816546	0	32	-1.0	-46.68	310.61	3.01	-43.67
CCC1=CC=CC(CC)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816547	0	40	-1.0	-45.60	320.44	6.26	-39.34
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816548	0	40	-1.0	-53.01	351.79	2.10	-50.91
COC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CS1	REAL300017816549	0	31	-1.0	-49.71	311.15	2.76	-46.95
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816550	0	37	-1.0	-49.70	346.60	5.61	-44.09
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017816551	0	39	-1.0	-48.57	369.26	6.45	-42.12
O=C([O-])C(F)CCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017816552	0	34	-1.0	-49.89	330.29	3.77	-46.12
O=C([O-])C(F)CCNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017816553	0	34	-1.0	-49.64	347.02	4.29	-45.35
COC(=O)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1C	REAL300017816554	0	37	-1.0	-50.12	327.96	4.41	-45.71
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017816555	0	30	-1.0	-45.65	313.37	4.40	-41.25
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816556	0	32	-1.0	-45.21	319.57	3.72	-41.49
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816557	0	40	-1.0	-48.57	342.63	3.70	-44.87
CCOC(=O)N1CCC(S(=O)(=O)NCCC(F)C(=O)[O-])CC1	REAL300017816558	0	42	-1.0	-51.42	357.68	2.99	-48.43
CC1=NC(C2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2)=CO1	REAL300017816559	0	37	-1.0	-51.80	340.26	2.17	-49.63
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017816560	0	27	-1.0	-45.59	290.52	2.17	-43.42
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017816561	0	31	-1.0	-50.57	293.22	3.48	-47.09
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017816562	0	31	-1.0	-48.22	289.91	1.76	-46.46
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017816563	0	36	-1.0	-47.77	317.57	3.73	-44.04
COC1=CC=C(Cl)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816564	0	32	-1.0	-48.20	294.59	2.45	-45.75
COC(=O)C1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C2=CC=CC=C2S1	REAL300017816565	0	37	-1.0	-50.59	349.56	5.80	-44.79
COC(=O)CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816566	0	37	-1.0	-51.82	340.41	4.54	-47.28
O=C([O-])C(F)CCNS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017816567	0	35	-1.0	-48.37	302.51	4.65	-43.72
CC1=CC=C(N2C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=N2)C=C1	REAL300017816568	0	38	-1.0	-50.13	345.42	4.88	-45.25
O=C([O-])C(F)CCNS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017816569	0	46	-1.0	-55.09	403.67	5.25	-49.84
O=C([O-])C(F)CCNS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017816570	0	46	-1.0	-56.30	395.81	4.82	-51.48
O=C([O-])C(F)CCNS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017816571	0	43	-1.0	-53.31	387.03	4.37	-48.94
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017816572	0	30	-1.0	-47.38	302.74	3.47	-43.91
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C21	REAL300017816573	0	39	-1.0	-60.79	342.27	4.12	-56.67
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017816574	0	28	-1.0	-47.68	295.16	4.29	-43.39
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017816575	0	28	-1.0	-45.36	299.59	4.16	-41.20
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816576	0	38	-1.0	-49.66	322.84	4.66	-45.00
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1C#N	REAL300017816577	0	32	-1.0	-47.38	303.44	3.98	-43.40
COC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017816578	0	34	-1.0	-49.89	322.78	3.78	-46.11
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816579	0	32	-1.0	-47.40	300.71	3.44	-43.96
COC1=CC=C(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816580	0	35	-1.0	-48.77	307.65	3.29	-45.48
N#CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Br	REAL300017816581	0	29	-1.0	-47.30	303.96	3.99	-43.31
COC1=CC(C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Cl	REAL300017816582	0	35	-1.0	-48.60	324.14	3.86	-44.74
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017816583	0	34	-1.0	-46.57	337.78	3.73	-42.84
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017816584	0	35	-1.0	-50.69	324.77	2.12	-48.57
COC1=CC(Cl)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1OC	REAL300017816585	0	36	-1.0	-48.40	323.80	2.36	-46.04
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017816586	0	32	-1.0	-48.69	308.94	2.74	-45.95
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017816587	0	31	-1.0	-46.64	307.79	4.15	-42.49
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C	REAL300017816588	0	39	-1.0	-52.50	355.33	0.05	-52.45
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C2S1	REAL300017816589	0	40	-1.0	-49.97	378.09	6.14	-43.83
N#CCC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816590	0	32	-1.0	-53.94	306.11	4.26	-49.68
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(Br)=C1	REAL300017816591	0	32	-1.0	-47.69	309.79	3.14	-44.55
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=N1	REAL300017816592	0	33	-1.0	-56.87	320.23	-1.30	-58.17
CC1=CC2=C(C=C1S(=O)(=O)NCCC(F)C(=O)[O-])OCO2	REAL300017816593	0	34	-1.0	-48.03	304.24	2.68	-45.35
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300017816594	0	34	-1.0	-46.86	330.43	4.24	-42.62
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816595	0	34	-1.0	-51.44	305.58	4.20	-47.24
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017816596	0	28	-1.0	-46.18	282.26	3.67	-42.51
CC1=CC(F)=CC(C)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816597	0	34	-1.0	-45.02	295.95	4.67	-40.35
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017816598	0	28	-1.0	-45.67	296.65	4.35	-41.32
COC1=CC2=C(C=C1S(=O)(=O)NCCC(F)C(=O)[O-])OCC(=O)N2	REAL300017816599	0	38	-1.0	-51.08	335.05	0.15	-50.93
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017816600	0	29	-1.0	-51.37	281.80	1.48	-49.89
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017816601	0	28	-1.0	-49.81	282.33	3.46	-46.35
COC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1OC	REAL300017816602	0	38	-1.0	-50.32	345.95	3.81	-46.51
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816603	0	32	-1.0	-51.99	314.71	0.38	-51.61
CCOC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816604	0	35	-1.0	-48.81	315.23	3.32	-45.49
CC1(C)CC2=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C2O1	REAL300017816605	0	39	-1.0	-50.13	335.10	4.36	-45.77
N#CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1C(F)(F)F	REAL300017816606	0	32	-1.0	-48.94	320.53	4.28	-44.66
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816646	0	29	-1.0	-54.27	284.42	3.25	-51.02
CC1=CC=C(C#N)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816647	0	32	-1.0	-49.00	298.95	4.38	-44.62
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)N(C)C	REAL300017816648	0	42	-1.0	-52.71	362.57	3.33	-49.38
CC1CC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC(Cl)=C2O1	REAL300017816649	0	36	-1.0	-47.55	337.24	4.20	-43.35
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017816650	0	33	-1.0	-47.00	308.09	4.27	-42.73
CCOC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017816651	0	42	-1.0	-47.30	378.78	5.70	-41.60
CC1=CC=C(Br)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816652	0	31	-1.0	-47.25	301.34	4.49	-42.76
COC(=O)C1=COC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816653	0	31	-1.0	-51.19	303.34	1.83	-49.36
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=N1	REAL300017816654	0	39	-1.0	-53.57	351.60	3.85	-49.72
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017816655	0	30	-1.0	-49.08	295.86	2.58	-46.50
CC(=O)N(C)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816656	0	38	-1.0	-54.34	342.12	3.75	-50.59
CC(=O)NC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1C	REAL300017816657	0	38	-1.0	-56.28	338.46	2.90	-53.38
O=C([O-])C(F)CCNS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017816658	0	33	-1.0	-55.11	310.97	3.16	-51.95
O=C([O-])C(F)CCNS(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300017816659	0	34	-1.0	-51.73	310.49	0.67	-51.06
CN1CCCC2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C21	REAL300017816660	0	40	-1.0	-48.83	337.67	3.65	-45.18
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017816661	0	30	-1.0	-47.85	298.60	2.33	-45.52
CC1=CC=C(Cl)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816662	0	31	-1.0	-47.84	286.53	3.82	-44.02
COC1=CC=CC(OC)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816663	0	36	-1.0	-52.03	317.85	3.61	-48.42
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CN=C1Cl	REAL300017816664	0	30	-1.0	-46.85	294.11	2.31	-44.54
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017816665	0	34	-1.0	-51.09	315.25	2.15	-48.94
O=C([O-])C(F)CCNS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017816666	0	27	-1.0	-48.28	284.64	2.84	-45.44
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017816667	0	37	-1.0	-46.67	336.45	4.74	-41.93
CC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1C#N	REAL300017816668	0	32	-1.0	-54.36	288.15	3.35	-51.01
COC1=CC(OC)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816669	0	36	-1.0	-49.92	322.44	1.70	-48.22
N#CC1=CC=C(Cl)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816670	0	29	-1.0	-47.92	285.90	3.54	-44.38
CN1C=NC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C21	REAL300017816671	0	34	-1.0	-53.64	311.73	4.44	-49.20
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017816672	0	36	-1.0	-54.43	311.87	4.62	-49.81
CCC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1CC	REAL300017816673	0	40	-1.0	-46.72	340.93	5.66	-41.06
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816674	0	36	-1.0	-45.48	314.38	5.11	-40.37
CC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1Cl	REAL300017816675	0	31	-1.0	-49.11	283.86	3.75	-45.36
COC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(C)O1	REAL300017816676	0	34	-1.0	-50.13	322.24	2.62	-47.51
NC1=NC=C(Cl)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816677	0	29	-1.0	-45.99	285.66	0.96	-45.03
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017816678	0	34	-1.0	-50.56	292.82	4.21	-46.35
COC(=O)C1=NSC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816679	0	30	-1.0	-51.12	296.26	1.95	-49.17
COC(=O)C1=C(S(=O)(=O)NCCC(F)C(=O)[O-])SC=N1	REAL300017816680	1	30	-1.0	-52.77	296.42	1.32	-51.45
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC(C)=C1F	REAL300017816681	0	34	-1.0	-46.29	310.89	4.44	-41.85
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017816682	0	36	-1.0	-56.03	323.46	1.55	-54.48
O=C([O-])C(F)CCNS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017816683	0	39	-1.0	-48.01	327.91	1.16	-46.85
COC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CN1C	REAL300017816684	0	35	-1.0	-52.65	324.64	3.19	-49.46
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816685	0	39	-1.0	-48.80	346.48	4.94	-43.86
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017816686	0	31	-1.0	-48.99	309.66	4.36	-44.63
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017816687	0	31	-1.0	-51.56	309.81	4.37	-47.19
O=C([O-])C(F)CCNS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017816688	0	28	-1.0	-49.87	278.16	3.83	-46.04
COC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CN=C1Cl	REAL300017816689	0	31	-1.0	-46.86	304.70	1.06	-45.80
N#CC1=CC=C(F)C(CS(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816690	0	32	-1.0	-51.95	313.38	4.22	-47.73
COC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=N1	REAL300017816691	0	33	-1.0	-49.16	314.60	1.92	-47.24
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017816692	1	27	-1.0	-47.47	281.49	2.48	-44.99
COCC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816693	0	35	-1.0	-47.67	318.93	2.83	-44.84
COC1=CC(C#N)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816694	0	33	-1.0	-49.10	304.71	3.31	-45.79
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816695	0	34	-1.0	-48.11	335.37	4.26	-43.85
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017816696	0	31	-1.0	-48.78	296.80	0.65	-48.13
CCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=N1	REAL300017816697	0	34	-1.0	-47.31	312.90	0.72	-46.59
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816698	0	37	-1.0	-58.73	348.49	1.30	-57.43
CC(=O)NC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1F	REAL300017816699	0	35	-1.0	-52.87	325.47	2.10	-50.77
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C21	REAL300017816700	0	42	-1.0	-59.42	356.83	4.74	-54.68
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017816701	0	31	-1.0	-49.43	283.80	1.65	-47.78
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816702	0	34	-1.0	-46.06	317.30	4.99	-41.07
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816703	0	45	-1.0	-52.12	400.65	2.82	-49.30
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816704	0	38	-1.0	-55.34	345.08	0.45	-54.89
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2CC1	REAL300017816705	0	45	-1.0	-55.57	376.62	5.07	-50.50
COC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(F)(F)F	REAL300017816706	0	37	-1.0	-49.73	348.41	4.56	-45.17
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816707	0	37	-1.0	-47.10	325.34	5.07	-42.03
O=C([O-])C(F)CCNS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017816708	0	31	-1.0	-47.57	289.84	3.98	-43.59
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017816709	0	31	-1.0	-46.55	305.10	5.19	-41.36
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816710	0	42	-1.0	-55.60	375.00	1.29	-54.31
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816711	0	41	-1.0	-51.32	360.50	4.49	-46.83
CCOC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1C	REAL300017816712	0	40	-1.0	-47.96	356.57	5.21	-42.75
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816713	0	40	-1.0	-52.71	362.27	5.46	-47.25
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1OC	REAL300017816714	0	39	-1.0	-51.47	359.33	2.88	-48.59
CCOC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(F)C=C1C	REAL300017816715	0	40	-1.0	-47.95	354.34	4.97	-42.98
O=C([O-])C(F)CCNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017816716	0	34	-1.0	-48.57	325.85	5.11	-43.46
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816717	0	37	-1.0	-49.54	338.72	4.43	-45.11
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017816718	0	38	-1.0	-49.04	337.66	6.51	-42.53
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816719	0	42	-1.0	-51.58	382.59	0.89	-50.69
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300017816720	0	31	-1.0	-50.15	304.00	4.37	-45.78
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CN1C	REAL300017816721	0	40	-1.0	-51.17	365.48	4.29	-46.88
O=C([O-])C(F)CCNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017816722	0	32	-1.0	-49.86	311.62	3.97	-45.89
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017816723	0	31	-1.0	-47.82	295.64	3.96	-43.86
CC1=NC(Cl)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816724	0	30	-1.0	-46.60	291.14	2.49	-44.11
CC1=NC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(Br)N1C	REAL300017816725	0	31	-1.0	-51.92	303.85	2.67	-49.25
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017816726	0	29	-1.0	-46.99	286.84	1.95	-45.04
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816727	0	41	-1.0	-56.21	356.01	3.94	-52.27
COC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(F)=C1	REAL300017816728	0	34	-1.0	-50.37	316.43	3.51	-46.86
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816729	0	39	-1.0	-51.80	354.12	2.44	-49.36
CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300017816730	0	43	-1.0	-48.46	376.80	5.92	-42.54
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816731	0	40	-1.0	-53.60	367.53	2.32	-51.28
COC(=O)C1(CS(=O)(=O)NCCC(F)C(=O)[O-])CCCC1	REAL300017816732	0	40	-1.0	-54.37	337.43	4.25	-50.12
COCC1=CC(Cl)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816733	0	35	-1.0	-47.10	335.25	3.32	-43.78
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1C(F)(F)F	REAL300017816734	0	34	-1.0	-45.53	318.30	4.61	-40.92
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017816735	0	39	-1.0	-47.46	369.25	6.46	-41.00
COC(=O)CC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816736	0	37	-1.0	-52.78	340.82	4.54	-48.24
O=C([O-])C(F)CCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300017816737	0	34	-1.0	-50.27	324.90	5.03	-45.24
COC(=O)C1(CS(=O)(=O)NCCC(F)C(=O)[O-])CCC1	REAL300017816738	0	37	-1.0	-52.27	322.83	3.49	-48.78
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017816739	0	28	-1.0	-46.38	296.02	3.29	-43.09
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816740	0	41	-1.0	-51.28	373.30	3.46	-47.82
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816741	0	44	-1.0	-50.80	395.57	4.39	-46.41
COC(=O)C1(CS(=O)(=O)NCCC(F)C(=O)[O-])CCCCC1	REAL300017816742	0	43	-1.0	-51.65	349.64	4.58	-47.07
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816743	0	36	-1.0	-50.77	334.34	4.10	-46.67
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCCC(F)C(=O)[O-])=N1	REAL300017816744	1	30	-1.0	-54.05	290.96	2.10	-51.95
O=C([O-])C(F)CCNS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017816745	0	32	-1.0	-51.21	290.02	2.73	-48.48
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C2	REAL300017816746	0	41	-1.0	-51.67	363.68	6.93	-44.74
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017816747	0	31	-1.0	-49.88	318.75	4.82	-45.06
O=C([O-])C(F)CCNS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017816748	0	31	-1.0	-50.64	309.63	4.41	-46.23
COC1=CC=C(Br)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1F	REAL300017816749	1	32	-1.0	-51.69	312.41	3.32	-48.37
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816750	0	38	-1.0	-50.91	338.43	5.40	-45.51
O=C([O-])C(F)CCNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017816751	0	32	-1.0	-48.18	309.60	4.70	-43.48
O=C([O-])C(F)CCNS(=O)(=O)CCCC1=CC=CC=C1	REAL300017816752	0	37	-1.0	-51.23	330.61	5.38	-45.85
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C(C(N)=O)O1	REAL300017816754	0	32	-1.0	-52.40	303.92	-1.34	-53.74
CCCC1=CC=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816758	0	37	-1.0	-47.71	316.15	5.64	-42.07
O=C([O-])C(F)CCNS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017816759	0	37	-1.0	-52.21	325.58	3.81	-48.40
O=C([O-])C(F)CCNS(=O)(=O)C1=CSC=C1C(F)F	REAL300017816760	0	28	-1.0	-47.06	277.83	3.29	-43.77
O=C([O-])C(F)CCNS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017816761	0	34	-1.0	-49.15	315.53	4.67	-44.48
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816762	0	44	-1.0	-49.28	379.42	5.90	-43.38
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017816763	0	33	-1.0	-51.73	299.62	3.64	-48.09
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C21	REAL300017816764	0	48	-1.0	-54.87	390.42	5.56	-49.31
COC(=O)C1=CN(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816765	0	35	-1.0	-54.08	318.67	3.06	-51.02
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C21	REAL300017816766	0	42	-1.0	-49.11	359.01	3.17	-45.94
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017816767	0	43	-1.0	-59.80	374.14	5.75	-54.05
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C21	REAL300017816768	0	42	-1.0	-60.84	364.68	5.03	-55.81
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2)C=C1	REAL300017816769	0	43	-1.0	-48.14	392.72	6.96	-41.18
O=C([O-])C(F)CCNS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017816770	0	35	-1.0	-49.34	313.35	2.77	-46.57
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=NN1C1CCC1	REAL300017816771	0	35	-1.0	-47.06	306.24	2.69	-44.37
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017816772	0	38	-1.0	-46.43	323.34	3.44	-42.99
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017816780	0	34	-1.0	-48.07	330.30	4.00	-44.07
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017816781	0	34	-1.0	-49.66	314.59	0.32	-49.34
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Br)C=CO1	REAL300017816782	1	25	-1.0	-48.15	263.36	1.75	-46.40
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=C2CCCCN12	REAL300017816783	0	35	-1.0	-48.43	304.41	3.05	-45.38
COC1=C(F)C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017816784	0	32	-1.0	-46.48	309.33	2.64	-43.84
COC1=CC(F)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017816785	0	32	-1.0	-47.75	297.41	2.22	-45.53
CCCCCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(C)C	REAL300017816786	0	53	-1.0	-46.76	437.92	7.71	-39.05
COC1=CC(C(C)C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C	REAL300017816787	0	44	-1.0	-47.16	367.36	5.22	-41.94
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816788	0	38	-1.0	-47.37	328.11	4.45	-42.92
CCOCCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(C)C	REAL300017816789	0	51	-1.0	-49.30	429.31	5.57	-43.73
CC1CC2=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C2O1	REAL300017816790	0	36	-1.0	-50.97	308.76	3.52	-47.45
CC(C)(C)C1=NC=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017816791	0	36	-1.0	-46.31	332.53	2.76	-43.55
N#CC1(C2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2)CC1	REAL300017816792	0	36	-1.0	-51.50	331.70	5.30	-46.20
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816793	1	32	-1.0	-49.04	301.99	3.73	-45.31
CC1=C(Br)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C(C)S1	REAL300017816794	0	31	-1.0	-46.69	308.54	4.49	-42.20
CC1=CC(Cl)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(Br)=C1	REAL300017816795	0	31	-1.0	-46.57	309.57	5.09	-41.48
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C21	REAL300017816796	0	45	-1.0	-58.02	373.37	5.17	-52.85
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017816797	0	34	-1.0	-49.76	317.13	3.72	-46.04
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C21	REAL300017816798	0	42	-1.0	-59.92	363.44	4.73	-55.19
O=C([O-])C(F)CCNS(=O)(=O)C1=CSC=C1Cl	REAL300017816799	0	25	-1.0	-46.78	258.60	2.10	-44.68
CN1N=C(Br)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816800	0	28	-1.0	-45.86	285.83	1.22	-44.64
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017816801	0	30	-1.0	-45.73	298.00	2.29	-43.44
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816802	0	33	-1.0	-55.82	304.14	2.70	-53.12
O=C([O-])C(F)CCNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017816803	0	32	-1.0	-49.94	311.84	3.35	-46.59
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017816804	0	29	-1.0	-47.08	278.34	1.87	-45.21
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017816805	0	31	-1.0	-48.59	302.31	4.52	-44.07
O=C([O-])C(F)CCNS(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017816806	0	32	-1.0	-49.35	311.36	3.33	-46.02
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017816807	0	31	-1.0	-56.57	308.76	2.80	-53.77
CN1N=C(C2CC2)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816808	0	35	-1.0	-46.86	314.79	2.87	-43.99
CC1=CC(C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C)=C1F	REAL300017816809	0	37	-1.0	-46.51	311.59	5.11	-41.40
COC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1OC	REAL300017816810	0	36	-1.0	-49.80	311.11	2.89	-46.91
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017816811	0	37	-1.0	-56.39	332.20	0.32	-56.07
N#CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1Br	REAL300017816812	0	29	-1.0	-48.16	303.98	3.99	-44.17
O=C([O-])C(F)CCNS(=O)(=O)C1=COC2=CC=CC=C12	REAL300017816813	0	31	-1.0	-48.82	286.81	3.05	-45.77
COC1=CC=C(F)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1OC	REAL300017816814	0	36	-1.0	-50.67	323.29	3.41	-47.26
COC(=O)C1=C(Br)OC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816815	1	31	-1.0	-47.33	322.09	2.47	-44.86
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(I)S1	REAL300017816816	0	25	-1.0	-46.00	283.61	3.29	-42.71
CN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C2CCCC2)=N1	REAL300017816817	0	41	-1.0	-49.59	336.57	3.32	-46.27
N#CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C2=CC=CC=C2S1	REAL300017816818	0	32	-1.0	-49.17	314.72	5.02	-44.15
CN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C2CC2)=N1	REAL300017816820	0	35	-1.0	-49.39	305.83	2.42	-46.97
O=C([O-])C(F)CCNC(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017816821	0	30	-1.0	-46.55	296.93	6.72	-39.83
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017816822	0	32	-1.0	-49.36	302.71	2.67	-46.69
O=C([O-])C(F)CCNS(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017816823	0	32	-1.0	-53.03	311.77	3.36	-49.67
O=C([O-])C(F)CCNS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017816824	0	31	-1.0	-51.41	293.29	2.32	-49.09
CN1N=NC2=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=CC=C21	REAL300017816825	0	33	-1.0	-59.08	302.20	1.52	-57.56
CC1=CC(C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Br	REAL300017816827	0	34	-1.0	-47.47	318.09	5.18	-42.29
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017816828	0	34	-1.0	-46.81	331.67	4.23	-42.58
O=C([O-])C(F)CCNS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017816829	0	31	-1.0	-48.29	286.44	2.99	-45.30
CN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C2CCC2)=N1	REAL300017816830	0	38	-1.0	-49.61	319.61	2.83	-46.78
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816831	0	46	-1.0	-47.67	377.61	7.10	-40.57
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017816832	0	34	-1.0	-47.29	335.08	4.98	-42.31
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)SC=C1	REAL300017816833	0	25	-1.0	-46.78	259.22	2.22	-44.56
O=C([O-])C(F)CCNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017816834	0	38	-1.0	-49.61	337.43	3.73	-45.88
O=C([O-])C(F)CCNS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017816835	0	32	-1.0	-47.41	295.44	4.08	-43.33
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017816836	0	39	-1.0	-47.60	353.54	5.91	-41.69
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816837	0	41	-1.0	-53.40	353.66	1.50	-51.90
COC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017816838	0	37	-1.0	-58.39	329.29	4.31	-54.08
CCCC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816839	0	37	-1.0	-47.47	328.25	5.31	-42.16
COC(=O)C1=NN(C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816840	0	34	-1.0	-49.65	319.74	1.43	-48.22
N#CC1=CC=C(F)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816841	0	29	-1.0	-49.92	275.44	2.91	-47.01
CN1N=C2CCCC2=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816842	0	35	-1.0	-47.66	308.56	2.65	-45.01
O=C([O-])C(F)CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017816843	0	32	-1.0	-47.32	319.91	4.44	-42.88
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C2C=C1	REAL300017816844	0	40	-1.0	-49.95	364.54	6.01	-43.94
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300017816845	0	37	-1.0	-50.21	352.48	5.69	-44.52
CC(C)(C)N1N=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816846	0	37	-1.0	-46.96	312.11	2.76	-44.20
CC(C)(C)N1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=N1	REAL300017816847	0	37	-1.0	-49.13	327.95	2.80	-46.33
O=C([O-])C(F)CCNS(=O)(=O)C1=CNN=C1C1CCC1	REAL300017816848	0	35	-1.0	-48.67	313.32	2.15	-46.52
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CN=C1C(F)(F)F	REAL300017816849	0	33	-1.0	-46.94	314.78	2.91	-44.03
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017816850	0	31	-1.0	-45.14	308.60	4.16	-40.98
O=C([O-])C(F)CCNS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017816851	0	28	-1.0	-47.31	284.78	3.62	-43.69
O=C([O-])C(F)CCNS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017816852	0	28	-1.0	-45.84	295.21	3.19	-42.65
O=C([O-])C(F)CCNS(=O)(=O)N1CCC(F)(F)CC1	REAL300017816853	0	33	-1.0	-46.03	291.42	2.27	-43.76
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017816854	0	31	-1.0	-46.06	315.36	4.51	-41.55
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017816855	0	31	-1.0	-52.40	283.43	4.56	-47.84
CCCC(=O)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816856	0	39	-1.0	-53.71	348.45	5.13	-48.58
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017816857	0	39	-1.0	-47.49	332.14	6.16	-41.33
CC1(C)OC(=O)C2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C21	REAL300017816858	0	38	-1.0	-53.81	343.69	4.78	-49.03
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017816859	0	34	-1.0	-47.03	325.87	4.13	-42.90
O=C([O-])C(F)CCNS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017816860	0	34	-1.0	-46.91	305.90	3.53	-43.38
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816861	0	33	-1.0	-48.41	314.48	3.60	-44.81
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816862	0	38	-1.0	-46.82	360.06	3.87	-42.95
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017816863	0	37	-1.0	-57.37	337.98	3.07	-54.30
O=C([O-])C(F)CCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017816864	0	28	-1.0	-47.50	283.14	3.49	-44.01
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300017816865	0	35	-1.0	-47.60	313.06	5.20	-42.40
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017816866	0	31	-1.0	-46.77	294.77	4.73	-42.04
COC(=O)C1=C(C)SC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816867	0	34	-1.0	-47.19	329.62	3.45	-43.74
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017816868	0	35	-1.0	-48.75	310.94	4.96	-43.79
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300017816869	0	30	-1.0	-46.30	317.84	3.31	-42.99
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017816870	0	38	-1.0	-46.86	329.94	3.53	-43.33
CCC(C)N1N=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816871	0	37	-1.0	-46.77	323.81	2.99	-43.78
CNC(=O)NC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816872	0	37	-1.0	-53.38	335.06	0.61	-52.77
CS(=O)(=O)C1=CSC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816873	0	31	-1.0	-54.54	317.80	-0.40	-54.94
CN(C1CCCCCC1)S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816874	0	42	-1.0	-46.75	334.51	4.09	-42.66
COC1=CC(F)=C(F)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816875	0	32	-1.0	-46.67	297.09	3.05	-43.62
CN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C2CCOCC2)=N1	REAL300017816876	0	42	-1.0	-49.91	361.94	2.22	-47.69
CC(F)(F)C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816877	0	34	-1.0	-48.38	317.08	4.63	-43.75
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017816878	0	32	-1.0	-49.40	302.71	2.67	-46.73
O=C([O-])C(F)CCNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017816879	0	43	-1.0	-46.64	359.38	5.76	-40.88
CC1=CC(C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C2=NC=CC=C12	REAL300017816880	0	39	-1.0	-54.76	334.91	5.44	-49.32
O=C([O-])C(F)CCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017816881	0	36	-1.0	-48.07	317.07	3.07	-45.00
CCOCC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816882	0	38	-1.0	-48.87	340.78	3.79	-45.08
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300017816883	0	31	-1.0	-47.54	323.14	5.10	-42.44
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816886	0	38	-1.0	-48.73	343.14	4.28	-44.45
O=C([O-])C(F)CCNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017816887	0	41	-1.0	-48.62	349.84	4.04	-44.58
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017816888	0	39	-1.0	-47.40	352.15	5.94	-41.46
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC(C)=C1Br	REAL300017816889	0	34	-1.0	-46.22	321.56	4.84	-41.38
CCN1N=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1Cl	REAL300017816890	0	31	-1.0	-46.18	296.93	1.66	-44.52
O=C([O-])C(F)CCNS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017816891	0	32	-1.0	-48.11	313.62	4.79	-43.32
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCCC(F)C(=O)[O-])=C2	REAL300017816892	0	34	-1.0	-47.78	348.55	4.31	-43.47
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017816894	0	30	-1.0	-49.77	297.32	2.04	-47.73
O=C([O-])C(F)CCNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017816895	0	33	-1.0	-52.94	320.32	4.29	-48.65
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017816896	0	33	-1.0	-52.57	316.60	4.09	-48.48
CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C2=CC=CC=C12	REAL300017816897	0	37	-1.0	-50.21	322.19	5.98	-44.23
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816898	1	32	-1.0	-51.80	315.31	4.10	-47.70
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017816899	0	35	-1.0	-49.91	321.81	3.47	-46.44
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C21	REAL300017816900	0	42	-1.0	-49.78	368.45	4.61	-45.17
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017816901	0	28	-1.0	-48.18	283.76	3.40	-44.78
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCCC(F)C(=O)[O-])O1	REAL300017816902	0	34	-1.0	-57.70	327.11	-0.62	-58.32
CN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300017816903	0	38	-1.0	-49.58	331.19	4.01	-45.57
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017816904	0	34	-1.0	-50.73	332.54	0.70	-50.03
O=C([O-])C(F)CCNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017816905	0	32	-1.0	-47.53	302.17	4.35	-43.18
O=C([O-])C(F)CCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017816906	0	32	-1.0	-46.87	317.06	4.89	-41.98
O=C([O-])C(F)CCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017816907	0	32	-1.0	-47.27	316.65	4.90	-42.37
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017816908	0	32	-1.0	-46.95	307.27	4.41	-42.54
COC(=O)C1CCCCN1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816909	0	39	-1.0	-50.83	325.46	3.75	-47.08
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C21	REAL300017816910	0	50	-1.0	-47.44	393.04	7.27	-40.17
N#CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017816911	0	31	-1.0	-51.68	309.32	3.91	-47.77
COC1=CC=C(C=C(C)S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816912	0	39	-1.0	-47.65	337.19	3.98	-43.67
COC(=O)C=CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816913	0	38	-1.0	-49.65	350.52	5.00	-44.65
CCOC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=NN1	REAL300017816914	0	34	-1.0	-49.33	321.68	0.95	-48.38
COC1=CSC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1OC	REAL300017816915	0	33	-1.0	-49.41	312.64	0.96	-48.45
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)NCCC(F)C(=O)[O-])C2	REAL300017816916	0	45	-1.0	-46.49	331.02	7.66	-38.83
O=C([O-])C(F)CCNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017816917	0	40	-1.0	-46.82	324.32	3.54	-43.28
CN(CCC1=CC=CC=C1)S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816918	0	39	-1.0	-48.38	343.73	4.98	-43.40
O=C([O-])C(F)CCNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017816919	0	39	-1.0	-47.65	339.67	9.81	-37.84
O=C([O-])C(F)CCNC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017816920	0	45	-1.0	-46.97	359.96	9.20	-37.77
CC(C)(C)OC(=O)N1CCN(C(=O)NCCC(F)C(=O)[O-])CC1	REAL300017816921	0	46	-1.0	-47.82	364.56	5.76	-42.06
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NCCC(F)C(=O)[O-]	REAL300017816922	0	47	-1.0	-49.82	378.08	6.26	-43.56
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816923	1	32	-1.0	-48.17	314.50	4.27	-43.90
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017816924	0	32	-1.0	-49.27	312.16	3.89	-45.38
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017816925	0	32	-1.0	-49.35	309.35	2.74	-46.61
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816926	0	34	-1.0	-48.70	308.28	3.04	-45.66
CN1C=CC2=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C21	REAL300017816927	0	35	-1.0	-51.22	317.58	4.86	-46.36
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017816928	0	31	-1.0	-50.18	293.03	4.64	-45.54
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017816929	0	37	-1.0	-48.06	342.73	3.58	-44.48
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017816930	1	25	-1.0	-43.86	288.52	3.19	-40.67
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816931	0	41	-1.0	-50.26	354.48	5.51	-44.75
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017816932	0	45	-1.0	-49.70	381.88	4.99	-44.71
O=C([O-])C(F)CCNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017816933	0	31	-1.0	-48.27	320.13	4.52	-43.75
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017816934	0	33	-1.0	-49.72	314.90	3.73	-45.99
COC(=O)[C@@H]1CCCN1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816935	0	36	-1.0	-50.69	317.37	2.57	-48.12
O=C([O-])C(F)CCNS(=O)(=O)C1=C(I)C=CS1	REAL300017816936	0	25	-1.0	-45.45	278.21	2.97	-42.48
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017816937	0	39	-1.0	-50.27	353.88	6.01	-44.26
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816938	0	34	-1.0	-52.57	300.73	5.11	-47.46
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017816939	0	33	-1.0	-52.33	318.74	1.68	-50.65
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017816940	0	29	-1.0	-49.84	299.03	1.96	-47.88
CC1=CC(Cl)=NC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816941	0	30	-1.0	-46.36	290.57	2.61	-43.75
C=C(C)COC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816942	0	39	-1.0	-49.17	347.54	4.72	-44.45
CCN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C2CC2)=N1	REAL300017816943	0	38	-1.0	-49.24	327.32	3.28	-45.96
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C2=NSN=C2C=C1	REAL300017816944	0	32	-1.0	-53.04	301.88	2.48	-50.56
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017816945	0	34	-1.0	-47.16	326.09	5.87	-41.29
CC(=O)OC1CCN(S(=O)(=O)NCCC(F)C(=O)[O-])C1	REAL300017816946	0	36	-1.0	-49.17	323.69	2.28	-46.89
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017816947	0	38	-1.0	-47.55	354.38	7.03	-40.52
CCC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1Br	REAL300017816948	0	34	-1.0	-45.53	322.50	4.96	-40.57
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816949	0	41	-1.0	-47.00	350.22	4.28	-42.72
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CS1	REAL300017816950	0	25	-1.0	-44.91	272.67	2.61	-42.30
COCCC1=CC=C(OC)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816951	0	42	-1.0	-49.14	360.55	3.42	-45.72
O=C([O-])C(F)CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017816952	0	34	-1.0	-48.92	310.81	5.40	-43.52
CN1N=C2CCOCC2=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816953	0	36	-1.0	-47.79	314.51	0.77	-47.02
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300017816954	0	35	-1.0	-48.19	306.78	5.34	-42.85
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300017816955	0	34	-1.0	-48.70	328.70	2.93	-45.77
CC(=O)OCC1CCN(S(=O)(=O)NCCC(F)C(=O)[O-])CC1	REAL300017816956	0	42	-1.0	-50.22	358.68	3.87	-46.35
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816957	0	42	-1.0	-55.44	373.17	3.40	-52.04
O=C([O-])C(F)CCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017816958	0	38	-1.0	-48.62	325.69	0.86	-47.76
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C)=N1	REAL300017816959	0	34	-1.0	-47.15	306.84	0.56	-46.59
COC1=NC=C(C)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816960	0	34	-1.0	-49.35	303.66	0.93	-48.42
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017816961	0	43	-1.0	-47.38	365.75	3.48	-43.90
COC1=NC=C(Cl)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816962	0	31	-1.0	-46.70	298.95	0.78	-45.92
COC1=NC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C	REAL300017816963	0	34	-1.0	-47.49	310.77	0.51	-46.98
CC(C)CN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=N1	REAL300017816964	0	37	-1.0	-49.39	326.42	3.24	-46.15
CC1=NN(C(C)C)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816965	0	37	-1.0	-48.66	327.49	2.80	-45.86
O=C([O-])C(F)CCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017816966	0	27	-1.0	-48.71	291.20	1.07	-47.64
O=C([O-])C(F)CCNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017816967	0	32	-1.0	-46.44	326.73	5.22	-41.22
COC(=O)C1=NC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C	REAL300017816968	0	36	-1.0	-48.29	330.64	2.46	-45.83
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816969	0	31	-1.0	-52.92	302.12	4.97	-47.95
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=NN1CC1CC1	REAL300017816970	0	35	-1.0	-47.09	312.07	3.24	-43.85
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017816971	0	35	-1.0	-48.00	318.69	4.35	-43.65
O=C([O-])C(F)CCNS(=O)(=O)N1CCC2=CC=CN=C21	REAL300017816972	0	33	-1.0	-51.66	299.00	3.47	-48.19
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=NN1C(C)C	REAL300017816973	0	37	-1.0	-49.15	327.14	2.90	-46.25
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017816974	0	35	-1.0	-47.79	323.32	5.29	-42.50
O=C([O-])C(F)CCNS(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017816975	0	30	-1.0	-48.23	290.79	2.12	-46.11
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816976	0	42	-1.0	-47.99	372.25	6.66	-41.33
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017816977	0	35	-1.0	-49.61	324.98	5.33	-44.28
O=C([O-])C(F)CCNC(=O)N1CCC(C(F)(F)F)CC1	REAL300017816978	0	35	-1.0	-47.18	298.77	5.90	-41.28
O=C([O-])C(F)CCNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017816979	0	32	-1.0	-49.86	307.26	3.24	-46.62
O=C([O-])C(F)CCNC(=O)N1CC=C(Br)CC1	REAL300017816980	0	30	-1.0	-45.65	274.71	5.54	-40.11
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017816981	0	31	-1.0	-48.62	294.30	3.73	-44.89
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816982	0	36	-1.0	-55.29	321.72	-1.11	-56.40
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017816984	0	35	-1.0	-51.57	319.00	5.47	-46.10
CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(Cl)=C1Cl	REAL300017816985	0	31	-1.0	-48.82	299.49	4.21	-44.61
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017816986	0	32	-1.0	-46.33	307.69	2.64	-43.69
O=C([O-])C(F)CCNS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017816987	0	35	-1.0	-49.20	327.83	3.98	-45.22
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C(F)F)=C1	REAL300017816988	0	35	-1.0	-47.73	315.07	3.74	-43.99
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816989	0	34	-1.0	-46.59	320.68	1.24	-45.35
CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C2=NC=CC=C12	REAL300017816990	0	36	-1.0	-53.83	313.41	4.74	-49.09
O=C([O-])C(F)CCNC(=O)N1CC(OCC2=CC=CC=C2)C1	REAL300017816991	0	40	-1.0	-48.27	347.47	6.32	-41.95
CC(C)(C)OC(=O)NC1CN(C(=O)NCCC(F)C(=O)[O-])C1	REAL300017816992	0	43	-1.0	-49.25	358.38	3.02	-46.23
CC(=O)OCC1CCN(C(=O)NCCC(F)C(=O)[O-])CC1	REAL300017816993	0	41	-1.0	-50.43	338.95	6.60	-43.83
O=C([O-])C(F)CCNS(=O)(=O)N1CC=C(Br)CC1	REAL300017816994	0	31	-1.0	-45.89	294.91	2.81	-43.08
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816996	0	41	-1.0	-48.58	343.15	5.06	-43.52
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C(Cl)S1	REAL300017816997	0	28	-1.0	-45.13	289.58	3.54	-41.59
O=C([O-])C(F)CCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300017816998	0	35	-1.0	-50.65	329.09	3.73	-46.92
O=C([O-])C(F)CCNS(=O)(=O)C1=C2CCCCN2N=C1	REAL300017816999	0	35	-1.0	-50.04	307.59	2.45	-47.59
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(C)C(F)=C1	REAL300017817388	0	40	-1.0	-42.80	339.95	6.94	-35.86
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300017817389	0	38	-1.0	-48.25	333.14	6.68	-41.57
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1	REAL300017817390	0	40	-1.0	-41.50	355.10	6.34	-35.16
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017817391	0	46	-1.0	-45.76	375.25	6.96	-38.80
CCCC(C(=O)[O-])N(C)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017817392	0	52	-1.0	-50.09	368.36	7.19	-42.90
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300017817393	0	42	-1.0	-54.62	347.16	7.13	-47.49
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017817394	0	42	-1.0	-48.76	356.35	7.49	-41.27
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017817395	0	45	-1.0	-51.40	360.91	3.64	-47.76
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300017817396	0	48	-1.0	-47.60	408.67	6.76	-40.84
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CCC)C=N1	REAL300017817397	0	40	-1.0	-57.47	329.88	7.04	-50.43
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017817398	0	35	-1.0	-40.48	330.85	6.30	-34.18
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C#N)SC=C1	REAL300017817399	0	32	-1.0	-44.26	295.73	4.84	-39.42
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1CCC(F)CC1	REAL300017817400	0	43	-1.0	-43.30	336.95	6.66	-36.64
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300017817401	0	37	-1.0	-47.91	318.89	6.43	-41.48
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017817402	0	40	-1.0	-59.18	331.55	6.31	-52.87
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300017817403	0	43	-1.0	-44.92	377.63	7.06	-37.86
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300017817404	0	40	-1.0	-51.55	360.05	6.62	-44.93
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F	REAL300017817405	0	43	-1.0	-47.72	365.33	6.77	-40.95
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(Br)=C1C	REAL300017817406	0	40	-1.0	-55.23	339.69	7.26	-47.97
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017817407	0	37	-1.0	-53.75	327.13	6.61	-47.14
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017817408	0	34	-1.0	-40.45	327.55	6.63	-33.82
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300017817409	0	41	-1.0	-59.11	339.11	2.60	-56.51
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)C(CCC)C(=O)[O-])C=C1	REAL300017817410	0	59	-1.0	-44.10	471.72	10.52	-33.58
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1	REAL300017817411	0	49	-1.0	-48.39	401.25	7.93	-40.46
CCCC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(CC)CC1	REAL300017817412	0	45	-1.0	-42.12	346.57	6.06	-36.06
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017817413	0	40	-1.0	-53.25	334.85	6.90	-46.35
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1F	REAL300017817414	0	40	-1.0	-44.03	342.24	7.13	-36.90
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017817415	0	40	-1.0	-43.15	348.86	7.39	-35.76
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(F)C=C1OC	REAL300017817416	0	38	-1.0	-39.36	338.77	6.03	-33.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O	REAL300017817417	0	49	-1.0	-52.90	391.30	4.58	-48.32
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1	REAL300017817418	0	45	-1.0	-45.43	381.74	6.07	-39.36
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1	REAL300017817419	0	41	-1.0	-51.69	356.42	7.88	-43.81
CCCC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(OC)CC1	REAL300017817420	0	43	-1.0	-47.58	340.50	3.69	-43.89
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017817421	0	37	-1.0	-53.25	330.35	6.71	-46.54
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC(C)CC)=C1	REAL300017817422	0	47	-1.0	-45.86	379.55	7.15	-38.71
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC(C)CC(F)(F)F	REAL300017817423	0	39	-1.0	-56.95	318.79	5.48	-51.47
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017817424	0	41	-1.0	-49.99	348.30	7.15	-42.84
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C	REAL300017817425	0	46	-1.0	-44.89	372.08	4.95	-39.94
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C=C1OC	REAL300017817426	0	38	-1.0	-44.34	321.13	5.47	-38.87
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300017817427	0	40	-1.0	-46.83	346.91	4.98	-41.85
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC2CC2)C(CC)=N1	REAL300017817428	0	47	-1.0	-56.99	383.55	7.29	-49.70
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1	REAL300017817429	0	45	-1.0	-59.22	366.65	5.64	-53.58
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017817430	0	37	-1.0	-43.87	331.28	5.13	-38.74
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017817431	0	37	-1.0	-55.96	338.94	5.42	-50.54
CCCOC1=CC=C(S(=O)(=O)N(C)C(CCC)C(=O)[O-])C=C1C(C)C	REAL300017817432	0	53	-1.0	-50.18	411.74	8.26	-41.92
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300017817433	0	42	-1.0	-45.32	344.75	7.52	-37.80
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300017817434	0	41	-1.0	-44.24	334.04	5.37	-38.87
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017817435	0	47	-1.0	-43.28	390.39	7.75	-35.53
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017817436	0	48	-1.0	-50.42	400.39	8.60	-41.82
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC(OC)C1=CC=C(F)C=C1	REAL300017817437	0	44	-1.0	-53.67	365.50	6.53	-47.14
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017817438	0	46	-1.0	-47.17	373.54	7.06	-40.11
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1	REAL300017817439	0	42	-1.0	-49.78	363.90	4.09	-45.69
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12	REAL300017817440	0	46	-1.0	-47.74	377.87	8.29	-39.45
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1	REAL300017817441	0	45	-1.0	-54.06	368.53	4.43	-49.63
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017817442	0	43	-1.0	-46.10	332.29	6.93	-39.17
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1(OCC)CCOCC1	REAL300017817443	0	48	-1.0	-43.10	367.07	4.26	-38.84
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC(OCC)C1CC1	REAL300017817444	0	44	-1.0	-54.94	347.26	5.64	-49.30
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300017817445	0	40	-1.0	-51.95	349.75	6.08	-45.87
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2	REAL300017817446	0	45	-1.0	-59.94	371.58	6.79	-53.15
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300017817447	0	37	-1.0	-44.51	321.50	3.71	-40.80
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017817448	0	45	-1.0	-47.73	390.10	9.70	-38.03
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(Br)C=C1C	REAL300017817449	0	37	-1.0	-39.82	323.65	6.72	-33.10
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C)=C1Br	REAL300017817450	0	37	-1.0	-44.48	316.80	6.58	-37.90
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(F)=C1C(=O)OC	REAL300017817451	0	40	-1.0	-55.58	337.35	6.41	-49.17
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017817452	0	42	-1.0	-49.61	341.49	2.93	-46.68
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300017817453	0	38	-1.0	-43.86	340.27	5.53	-38.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300017817454	0	40	-1.0	-47.56	338.94	6.08	-41.48
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300017817455	0	40	-1.0	-41.69	340.72	7.22	-34.47
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CCOC)N=C1	REAL300017817456	0	41	-1.0	-50.83	343.46	2.83	-48.00
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)N(CC2CC2)N=C1C	REAL300017817457	0	47	-1.0	-47.94	381.52	7.11	-40.83
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017817458	0	41	-1.0	-49.10	355.74	6.13	-42.97
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017817459	0	42	-1.0	-56.50	357.16	7.58	-48.92
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017817460	0	34	-1.0	-39.37	318.39	6.26	-33.11
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017817461	0	37	-1.0	-41.52	326.40	6.34	-35.18
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017817462	0	41	-1.0	-64.18	347.50	3.11	-61.07
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC	REAL300017817463	0	43	-1.0	-53.96	359.34	6.29	-47.67
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300017817464	0	37	-1.0	-42.79	315.11	6.51	-36.28
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1COC	REAL300017817465	0	41	-1.0	-42.51	331.21	5.57	-36.94
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300017817466	0	38	-1.0	-47.60	333.08	5.28	-42.32
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017817467	0	37	-1.0	-49.21	349.08	2.39	-46.82
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017817468	0	37	-1.0	-54.60	327.65	4.16	-50.44
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017817469	0	45	-1.0	-45.62	368.85	6.84	-38.78
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300017817470	0	42	-1.0	-43.57	369.83	2.28	-41.29
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300017817471	0	45	-1.0	-42.77	391.80	3.26	-39.51
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C(CNC(=O)CC)=C1	REAL300017817472	0	51	-1.0	-56.06	414.27	4.49	-51.57
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(CC)C=C1	REAL300017817473	0	43	-1.0	-55.50	350.19	7.42	-48.08
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(OC)=CC=C1Br	REAL300017817474	0	38	-1.0	-44.20	330.89	5.36	-38.84
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017817475	0	49	-1.0	-47.66	404.63	5.95	-41.71
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300017817476	0	43	-1.0	-59.39	364.61	3.64	-55.75
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017817477	0	36	-1.0	-42.55	337.79	5.40	-37.15
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1	REAL300017817478	0	39	-1.0	-47.15	339.64	6.26	-40.89
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl	REAL300017817479	0	39	-1.0	-49.75	338.98	6.36	-43.39
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300017817480	0	35	-1.0	-40.21	331.61	6.50	-33.71
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC)C(Br)=C1	REAL300017817481	0	41	-1.0	-42.57	362.64	6.40	-36.17
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017817482	0	48	-1.0	-58.76	400.79	4.70	-54.06
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017817483	0	37	-1.0	-56.90	318.07	6.19	-50.71
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OCC)=CC(F)=C1OC	REAL300017817484	0	47	-1.0	-47.20	395.70	7.29	-39.91
CCCC(C(=O)[O-])N(C)S(=O)(=O)N1CCOC(C)(C)C1	REAL300017817485	0	43	-1.0	-50.27	327.61	3.64	-46.63
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300017817486	0	44	-1.0	-45.97	360.74	6.29	-39.68
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300017817487	0	50	-1.0	-44.11	403.30	7.92	-36.19
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017817488	0	48	-1.0	-44.23	386.03	7.81	-36.42
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300017817489	0	47	-1.0	-44.47	384.33	7.31	-37.16
CCCOC1=CC=C(S(=O)(=O)N(C)C(CCC)C(=O)[O-])C=C1	REAL300017817490	0	44	-1.0	-44.33	363.72	6.53	-37.80
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300017817491	0	38	-1.0	-49.32	328.44	5.11	-44.21
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017817492	0	38	-1.0	-44.33	346.66	5.72	-38.61
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300017817493	0	41	-1.0	-50.38	332.42	5.28	-45.10
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300017817494	0	47	-1.0	-50.06	372.25	6.84	-43.22
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300017817495	0	41	-1.0	-44.20	328.43	5.45	-38.75
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300017817496	0	45	-1.0	-46.60	376.35	5.09	-41.51
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCCOC)C(C)=C1	REAL300017817497	0	48	-1.0	-52.26	388.48	5.57	-46.69
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1F	REAL300017817498	0	37	-1.0	-47.51	320.49	6.34	-41.17
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(C)C(CCC)C(=O)[O-])=C1	REAL300017817499	0	45	-1.0	-49.80	380.23	5.27	-44.53
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017817500	0	49	-1.0	-46.01	397.50	5.09	-40.92
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1	REAL300017817501	0	44	-1.0	-51.32	363.19	5.51	-45.81
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C=C1Br	REAL300017817502	0	37	-1.0	-43.62	322.82	6.73	-36.89
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300017817503	0	40	-1.0	-47.04	357.92	3.37	-43.67
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC	REAL300017817504	0	40	-1.0	-45.01	347.62	7.34	-37.67
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017817505	0	35	-1.0	-47.61	319.61	6.13	-41.48
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300017817506	0	37	-1.0	-41.20	319.64	6.70	-34.50
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300017817507	0	42	-1.0	-50.70	335.63	7.82	-42.88
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl	REAL300017817508	0	40	-1.0	-46.47	351.96	6.50	-39.97
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300017817509	0	43	-1.0	-47.69	359.04	3.63	-44.06
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300017817510	0	38	-1.0	-41.23	327.96	7.13	-34.10
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300017817511	0	35	-1.0	-49.34	319.66	6.13	-43.21
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1	REAL300017817512	0	50	-1.0	-49.85	403.10	7.28	-42.57
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017817513	0	46	-1.0	-48.55	399.88	3.36	-45.19
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300017817514	0	42	-1.0	-49.15	368.00	1.76	-47.39
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CCNC(C)=O)S1	REAL300017817515	0	44	-1.0	-51.15	385.58	4.53	-46.62
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300017817516	0	37	-1.0	-48.00	323.22	4.11	-43.89
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)N=C(C)S1	REAL300017817517	0	36	-1.0	-51.20	310.39	3.87	-47.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017817518	0	36	-1.0	-56.14	311.38	6.87	-49.27
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017817519	0	37	-1.0	-40.12	346.66	7.30	-32.82
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)NC(C(=O)OCC)=C1C	REAL300017817520	0	47	-1.0	-49.41	384.81	6.33	-43.08
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017817521	0	34	-1.0	-46.30	306.12	6.43	-39.87
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300017817522	0	40	-1.0	-50.44	361.45	5.83	-44.61
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017817523	0	54	-1.0	-44.41	425.45	9.13	-35.28
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017817524	0	44	-1.0	-47.65	386.77	5.07	-42.58
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CC=C1C	REAL300017817525	0	43	-1.0	-47.25	353.71	6.79	-40.46
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017817526	0	36	-1.0	-42.09	323.19	7.75	-34.34
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(OC)=C(OC)C=C1F	REAL300017817527	0	42	-1.0	-47.62	349.04	4.60	-43.02
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300017817528	0	45	-1.0	-45.81	355.35	5.28	-40.53
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017817529	0	36	-1.0	-42.44	332.11	7.69	-34.75
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300017817530	0	42	-1.0	-60.53	340.81	7.07	-53.46
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017817531	0	37	-1.0	-54.31	319.83	5.89	-48.42
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300017817532	0	39	-1.0	-52.93	325.90	1.44	-51.49
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300017817533	0	37	-1.0	-41.25	315.07	6.60	-34.65
CCCC(C(=O)[O-])N(C)S(=O)(=O)N1CCCC1C(=O)OCC	REAL300017817534	0	45	-1.0	-46.99	366.94	6.30	-40.69
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300017817535	0	42	-1.0	-52.76	347.37	2.91	-49.85
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300017817536	0	44	-1.0	-51.10	334.19	5.96	-45.14
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017817537	0	42	-1.0	-46.31	357.08	5.06	-41.25
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(C(=O)OC)C=C1	REAL300017817538	0	43	-1.0	-43.95	370.00	6.98	-36.97
CCCC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(C(=O)OC)CC1	REAL300017817539	0	45	-1.0	-48.53	361.63	5.38	-43.15
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017817540	0	45	-1.0	-52.76	358.91	5.45	-47.31
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(C(=O)OC)=C1	REAL300017817541	0	43	-1.0	-49.81	368.05	6.89	-42.92
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OCC)O1	REAL300017817542	0	40	-1.0	-47.72	345.08	5.04	-42.68
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1	REAL300017817543	0	47	-1.0	-46.72	397.68	6.58	-40.14
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300017817544	0	44	-1.0	-43.25	343.04	5.88	-37.37
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017817545	0	38	-1.0	-58.92	321.28	5.61	-53.31
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCCC(=O)OCC	REAL300017817546	0	42	-1.0	-61.20	346.20	5.47	-55.73
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017817547	0	37	-1.0	-46.04	319.68	7.09	-38.95
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017817548	0	36	-1.0	-41.94	327.76	7.85	-34.09
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300017817549	0	39	-1.0	-51.23	315.74	7.25	-43.98
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017817550	0	36	-1.0	-38.77	329.49	6.76	-32.01
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C=CS1	REAL300017817551	0	31	-1.0	-39.52	297.79	5.13	-34.39
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017817552	0	38	-1.0	-43.84	322.40	5.78	-38.06
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300017817553	0	42	-1.0	-52.02	321.98	6.10	-45.92
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017817554	0	36	-1.0	-42.37	326.39	4.88	-37.49
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017817555	0	42	-1.0	-50.05	350.15	4.59	-45.46
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017817556	0	33	-1.0	-42.59	307.49	4.33	-38.26
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017817557	0	36	-1.0	-40.74	320.82	6.16	-34.58
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017817558	0	36	-1.0	-44.88	327.31	6.38	-38.50
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=NNC(C)=C1C(=O)OCC	REAL300017817559	0	43	-1.0	-59.35	363.17	4.28	-55.07
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300017817560	0	39	-1.0	-51.32	337.95	6.27	-45.05
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017817561	0	36	-1.0	-43.97	318.98	6.96	-37.01
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017817562	0	36	-1.0	-47.66	317.81	5.90	-41.76
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017817563	0	41	-1.0	-45.23	361.80	6.20	-39.03
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017817564	0	36	-1.0	-47.21	328.26	7.92	-39.29
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017817565	0	48	-1.0	-45.84	402.14	8.79	-37.05
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300017817566	0	42	-1.0	-46.44	366.02	2.27	-44.17
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)CC)=C1	REAL300017817567	0	42	-1.0	-49.31	352.56	6.87	-42.44
CCCC(C(=O)[O-])N(C)S(=O)(=O)N1CCN(C(=O)OCC)CC1	REAL300017817568	0	47	-1.0	-45.30	377.79	4.35	-40.95
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21	REAL300017817569	0	43	-1.0	-53.05	361.19	6.44	-46.61
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017817570	0	44	-1.0	-53.22	369.67	6.66	-46.56
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017817571	0	37	-1.0	-63.72	317.70	4.70	-59.02
CCCC(C(=O)[O-])N(C)S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300017817572	0	56	-1.0	-51.52	415.02	8.40	-43.12
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300017817573	0	42	-1.0	-48.76	364.95	2.30	-46.46
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(F)=C1	REAL300017817574	0	37	-1.0	-44.23	319.64	6.30	-37.93
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300017817575	0	40	-1.0	-59.01	347.23	2.66	-56.35
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21	REAL300017817576	0	47	-1.0	-48.37	374.54	7.90	-40.47
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC=C1OCC	REAL300017817577	0	44	-1.0	-48.24	358.50	7.07	-41.17
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017817578	0	39	-1.0	-50.85	337.79	5.67	-45.18
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017817579	0	41	-1.0	-51.00	344.31	6.22	-44.78
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017817580	0	36	-1.0	-45.19	335.78	6.72	-38.47
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300017817581	0	35	-1.0	-46.98	307.34	5.71	-41.27
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCCOCC)C=C1	REAL300017817582	0	48	-1.0	-46.67	397.70	5.97	-40.70
CCCCCOC1=CC=C(S(=O)(=O)N(C)C(CCC)C(=O)[O-])C=C1	REAL300017817583	0	50	-1.0	-44.13	406.71	8.09	-36.04
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017817584	0	36	-1.0	-54.81	316.74	7.31	-47.50
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1	REAL300017817585	0	40	-1.0	-42.51	350.21	6.18	-36.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl	REAL300017817586	0	40	-1.0	-41.15	364.53	6.92	-34.23
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC	REAL300017817587	0	44	-1.0	-50.58	369.87	6.15	-44.43
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CC(=O)OC)S1	REAL300017817588	0	40	-1.0	-48.23	360.23	6.11	-42.12
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CS1	REAL300017817589	0	37	-1.0	-50.88	330.07	4.93	-45.95
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C	REAL300017817590	0	46	-1.0	-43.85	365.02	7.01	-36.84
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)OC)=C1	REAL300017817591	0	40	-1.0	-41.90	358.70	6.63	-35.27
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1	REAL300017817592	0	43	-1.0	-45.87	362.19	6.77	-39.10
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CC=C1F	REAL300017817593	0	40	-1.0	-47.71	347.20	6.15	-41.56
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017817594	0	44	-1.0	-52.58	333.14	7.71	-44.87
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017817595	0	40	-1.0	-47.76	339.81	7.39	-40.37
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC(Br)=C1	REAL300017817596	0	33	-1.0	-46.13	299.77	4.06	-42.07
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017817597	0	38	-1.0	-40.68	347.76	7.05	-33.63
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2COCC2=C1	REAL300017817598	0	39	-1.0	-43.67	327.37	4.89	-38.78
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017817599	0	39	-1.0	-47.77	333.61	0.63	-47.14
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300017817600	0	48	-1.0	-46.48	402.51	7.44	-39.04
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1(CC(=O)OC)CC1	REAL300017817601	0	43	-1.0	-46.08	355.42	6.01	-40.07
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC	REAL300017817602	0	39	-1.0	-43.18	345.46	5.73	-37.45
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300017817603	0	37	-1.0	-44.86	317.04	6.20	-38.66
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300017817604	0	41	-1.0	-43.67	351.63	6.64	-37.03
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300017817605	0	46	-1.0	-46.65	380.23	7.03	-39.62
CCCCCCN1C=C(S(=O)(=O)N(C)C(CCC)C(=O)[O-])C(=O)NC1=O	REAL300017817606	0	52	-1.0	-54.04	417.90	5.95	-48.09
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1	REAL300017817607	0	44	-1.0	-54.57	368.04	7.36	-47.21
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1	REAL300017817608	0	41	-1.0	-49.03	358.90	5.30	-43.73
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCNS(=O)(=O)CC	REAL300017817609	0	41	-1.0	-61.38	347.36	0.12	-61.26
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300017817610	0	37	-1.0	-44.59	317.17	6.12	-38.47
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl	REAL300017817611	0	39	-1.0	-40.12	335.26	6.78	-33.34
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)O1	REAL300017817612	0	31	-1.0	-47.08	288.12	3.94	-43.14
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300017817613	0	40	-1.0	-47.50	340.60	6.65	-40.85
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017817614	0	31	-1.0	-38.26	308.07	5.39	-32.87
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017817615	0	37	-1.0	-43.34	336.72	7.08	-36.26
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017817616	0	37	-1.0	-43.17	346.52	7.44	-35.73
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300017817617	0	40	-1.0	-43.77	353.90	8.30	-35.47
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017817618	0	37	-1.0	-45.75	336.44	7.13	-38.62
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017817619	0	40	-1.0	-48.98	337.66	8.50	-40.48
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017817620	0	40	-1.0	-47.19	343.97	8.40	-38.79
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1	REAL300017817621	0	45	-1.0	-52.75	388.17	4.21	-48.54
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)C(C(=O)OCC)=C1	REAL300017817622	0	44	-1.0	-55.88	366.44	6.28	-49.60
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OC(C(=O)OCC)CC2=C1	REAL300017817623	0	48	-1.0	-53.29	396.66	7.51	-45.78
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300017817624	0	40	-1.0	-54.18	348.46	2.86	-51.32
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300017817625	0	43	-1.0	-57.24	377.26	5.34	-51.90
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300017817626	0	47	-1.0	-50.26	398.80	7.17	-43.09
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1	REAL300017817627	0	40	-1.0	-44.77	345.19	7.59	-37.18
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017817628	0	45	-1.0	-46.86	389.48	2.57	-44.29
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017817629	0	35	-1.0	-51.84	310.63	5.78	-46.06
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300017817630	0	45	-1.0	-50.19	357.81	5.91	-44.28
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(Cl)N1C	REAL300017817631	0	34	-1.0	-43.81	304.78	4.58	-39.23
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C	REAL300017817632	0	39	-1.0	-36.97	334.92	6.99	-29.98
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300017817633	0	38	-1.0	-48.97	338.62	6.80	-42.17
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300017817634	0	34	-1.0	-53.49	303.93	3.89	-49.60
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300017817635	0	37	-1.0	-50.41	326.45	6.16	-44.25
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017817636	0	46	-1.0	-54.10	384.61	7.75	-46.35
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(N(C)C)=CC=C1Br	REAL300017817637	0	42	-1.0	-45.06	353.89	6.48	-38.58
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1	REAL300017817638	0	39	-1.0	-47.39	345.90	5.34	-42.05
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC	REAL300017817639	0	40	-1.0	-45.20	349.92	7.72	-37.48
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(CC)N(C)N=C1CC	REAL300017817640	0	46	-1.0	-48.46	360.68	5.90	-42.56
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2ON=C(CC)C2=C1	REAL300017817641	0	41	-1.0	-42.80	352.62	3.30	-39.50
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1	REAL300017817642	0	39	-1.0	-40.01	342.53	6.93	-33.08
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C=C1C(=O)OC	REAL300017817643	0	40	-1.0	-44.81	339.59	7.28	-37.53
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017817644	0	37	-1.0	-66.95	314.81	4.93	-62.02
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017817645	0	37	-1.0	-40.61	348.63	7.39	-33.22
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300017817646	0	42	-1.0	-55.57	366.74	3.82	-51.75
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017817647	0	33	-1.0	-39.53	308.77	4.53	-35.00
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1CCCCC1C(=O)OC	REAL300017817648	0	46	-1.0	-63.27	351.24	6.82	-56.45
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1	REAL300017817649	0	47	-1.0	-53.11	381.53	7.79	-45.32
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN2CCCCC2=N1	REAL300017817650	0	41	-1.0	-56.60	329.54	5.08	-51.52
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300017817651	0	38	-1.0	-48.46	349.71	7.00	-41.46
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017817652	0	40	-1.0	-42.05	359.49	3.60	-38.45
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(Br)C=C1OC	REAL300017817653	0	38	-1.0	-39.43	338.77	6.03	-33.40
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017817654	0	43	-1.0	-52.25	353.95	9.27	-42.98
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(CC)OC(C(=O)OC)=C1	REAL300017817655	0	43	-1.0	-44.55	355.48	5.47	-39.08
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017817656	0	51	-1.0	-59.68	402.83	7.31	-52.37
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300017817657	0	41	-1.0	-46.49	328.56	5.19	-41.30
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017817658	0	54	-1.0	-44.46	410.62	7.28	-37.18
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017817659	0	48	-1.0	-56.38	374.57	5.49	-50.89
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017817660	0	45	-1.0	-44.68	388.93	6.42	-38.26
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC	REAL300017817661	0	42	-1.0	-43.47	358.98	7.42	-36.05
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1(C#N)CCCCC1	REAL300017817662	0	44	-1.0	-60.45	338.20	6.24	-54.21
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1(C)CCCCC1	REAL300017817663	0	46	-1.0	-42.09	339.31	7.02	-35.07
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017817664	0	43	-1.0	-46.79	350.32	6.88	-39.91
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017817665	0	37	-1.0	-52.78	321.67	4.00	-48.78
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300017817666	0	38	-1.0	-47.85	318.37	4.60	-43.25
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300017817667	0	45	-1.0	-50.15	374.87	5.80	-44.35
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300017817668	0	48	-1.0	-47.07	404.23	6.92	-40.15
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300017817669	0	43	-1.0	-44.22	333.14	7.15	-37.07
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017817670	0	48	-1.0	-46.20	401.47	9.00	-37.20
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OC(C(=O)OCC)=C(C)C2=C1	REAL300017817671	0	49	-1.0	-49.36	407.11	8.00	-41.36
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OCC)=CC=C1C	REAL300017817672	0	46	-1.0	-47.75	374.94	7.68	-40.07
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017817673	0	34	-1.0	-44.66	314.45	6.29	-38.37
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300017817674	0	34	-1.0	-40.30	320.37	5.82	-34.48
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C=C1F	REAL300017817675	0	38	-1.0	-45.94	322.09	4.80	-41.14
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300017817676	0	42	-1.0	-48.14	343.32	8.54	-39.60
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017817677	0	40	-1.0	-44.41	351.87	7.29	-37.12
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300017817678	0	44	-1.0	-38.33	369.97	8.14	-30.19
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)OC)C=C1	REAL300017817679	0	42	-1.0	-48.39	358.56	3.81	-44.58
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300017817680	0	42	-1.0	-46.17	340.60	6.00	-40.17
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017817681	0	40	-1.0	-46.87	337.12	6.10	-40.77
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017817683	0	37	-1.0	-45.37	321.69	6.36	-39.01
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017817684	0	37	-1.0	-46.90	338.61	6.78	-40.12
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017817685	0	37	-1.0	-41.42	331.70	6.57	-34.85
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300017817686	0	37	-1.0	-49.46	325.90	6.45	-43.01
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC	REAL300017817687	0	45	-1.0	-49.06	363.49	4.22	-44.84
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1SC	REAL300017817688	0	38	-1.0	-45.88	313.29	5.93	-39.95
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300017817689	0	45	-1.0	-57.00	368.45	5.30	-51.70
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017817690	0	46	-1.0	-48.33	382.19	5.30	-43.03
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1	REAL300017817691	0	40	-1.0	-47.07	346.63	6.10	-40.97
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300017817692	0	44	-1.0	-49.72	374.11	4.68	-45.04
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300017817693	0	44	-1.0	-46.61	369.89	6.16	-40.45
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(F)C=C1C	REAL300017817694	0	37	-1.0	-39.63	323.64	6.74	-32.89
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300017817695	0	42	-1.0	-45.69	341.04	7.25	-38.44
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017817696	0	42	-1.0	-62.35	347.15	6.63	-55.72
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017817697	0	40	-1.0	-61.52	318.21	1.48	-60.04
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300017817698	0	44	-1.0	-47.99	369.75	6.41	-41.58
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017817699	0	39	-1.0	-48.49	339.64	5.77	-42.72
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300017817700	0	38	-1.0	-53.73	319.29	4.80	-48.93
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC)C=C1C	REAL300017817701	0	44	-1.0	-44.56	349.67	6.33	-38.23
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300017817702	0	42	-1.0	-55.40	360.04	1.50	-53.90
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCS(C)(=O)=O	REAL300017817703	0	36	-1.0	-60.59	311.02	0.52	-60.07
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C)=C1C(=O)OC	REAL300017817704	0	43	-1.0	-48.08	356.47	7.00	-41.08
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017817705	0	38	-1.0	-44.46	321.53	5.62	-38.84
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(SC)C=C1	REAL300017817706	0	38	-1.0	-44.68	331.58	6.61	-38.07
CCCOC(=O)C1=CC=C(S(=O)(=O)N(C)C(CCC)C(=O)[O-])C=C1	REAL300017817707	0	46	-1.0	-44.11	389.00	7.89	-36.22
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)CC)C=C1	REAL300017817708	0	44	-1.0	-51.43	368.03	5.30	-46.13
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017817709	0	40	-1.0	-43.51	352.25	7.36	-36.15
CCCC(C(=O)[O-])N(C)S(=O)(=O)N(CC)CC1=CC=CC=C1	REAL300017817710	0	45	-1.0	-42.95	359.34	7.36	-35.59
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC)C(C)=N1	REAL300017817711	0	40	-1.0	-58.97	331.17	5.28	-53.69
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017817712	0	33	-1.0	-45.61	304.41	4.30	-41.31
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017817713	0	40	-1.0	-46.13	323.02	5.03	-41.10
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017817714	0	39	-1.0	-47.13	322.82	5.83	-41.30
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017817715	0	46	-1.0	-47.56	383.40	7.59	-39.97
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017817716	0	34	-1.0	-45.97	299.43	5.65	-40.32
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017817717	0	34	-1.0	-42.79	314.27	6.19	-36.60
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300017817718	0	40	-1.0	-45.21	345.30	7.03	-38.18
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017817719	0	40	-1.0	-51.19	356.27	5.92	-45.27
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300017817720	0	42	-1.0	-47.04	357.71	5.32	-41.72
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017817721	0	37	-1.0	-41.51	341.29	6.90	-34.61
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300017817722	0	38	-1.0	-46.95	330.64	2.49	-44.46
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017817723	0	43	-1.0	-45.35	372.93	8.44	-36.91
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(COC)=C1	REAL300017817724	0	41	-1.0	-45.54	344.58	5.21	-40.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017817725	0	36	-1.0	-40.34	329.62	6.74	-33.60
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1	REAL300017817726	0	43	-1.0	-53.14	384.80	6.64	-46.50
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1C(=O)OC	REAL300017817727	0	40	-1.0	-45.41	338.11	6.81	-38.60
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017817728	0	37	-1.0	-45.75	328.76	6.75	-39.00
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017817729	0	46	-1.0	-56.02	387.47	4.01	-52.01
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017817730	0	41	-1.0	-40.74	361.18	6.11	-34.63
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017817731	0	34	-1.0	-41.82	318.50	6.47	-35.35
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300017817732	0	42	-1.0	-47.89	353.12	2.66	-45.23
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1	REAL300017817763	0	43	-1.0	-49.72	364.55	6.93	-42.79
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017817764	0	42	-1.0	-48.47	346.97	6.28	-42.19
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017817765	0	34	-1.0	-42.05	303.61	5.91	-36.14
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(CCC)C(=O)[O-]	REAL300017817766	0	53	-1.0	-61.33	420.35	9.00	-52.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017817767	0	37	-1.0	-54.06	334.35	7.04	-47.02
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017817768	0	35	-1.0	-40.75	318.05	6.27	-34.48
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F	REAL300017817769	0	41	-1.0	-54.43	360.31	4.93	-49.50
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300017817770	0	42	-1.0	-50.78	340.21	5.87	-44.91
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl	REAL300017817771	0	38	-1.0	-41.84	337.90	5.60	-36.24
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(CC)C=CC=C1CC	REAL300017817772	0	46	-1.0	-43.49	341.98	8.25	-35.24
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300017817773	0	46	-1.0	-54.03	366.74	3.91	-50.12
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C(=O)OC)=C1	REAL300017817774	0	37	-1.0	-43.70	338.66	5.27	-38.43
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC	REAL300017817775	0	43	-1.0	-44.23	370.88	7.65	-36.58
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017817776	0	45	-1.0	-45.92	396.80	8.94	-36.98
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017817777	0	40	-1.0	-54.57	351.70	6.08	-48.49
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017817778	0	40	-1.0	-50.87	366.59	6.38	-44.49
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)OC)=C1C	REAL300017817779	0	43	-1.0	-47.44	346.09	6.49	-40.95
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017817780	0	36	-1.0	-47.31	332.67	6.56	-40.75
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC(F)=C1OC	REAL300017817781	0	38	-1.0	-43.35	340.48	6.30	-37.05
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300017817782	0	46	-1.0	-48.87	366.62	6.08	-42.79
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1CCN(C(=O)OCC)CC1	REAL300017817783	0	48	-1.0	-45.77	379.78	5.44	-40.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300017817784	0	43	-1.0	-50.60	367.77	4.66	-45.94
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017817785	0	33	-1.0	-44.88	310.38	4.25	-40.63
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017817786	0	37	-1.0	-51.21	319.28	5.88	-45.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017817787	0	37	-1.0	-44.26	315.52	4.26	-40.00
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2CCCN12	REAL300017817788	0	38	-1.0	-48.27	317.49	4.94	-43.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017817789	0	42	-1.0	-46.29	343.21	6.12	-40.17
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300017817790	0	38	-1.0	-45.76	326.69	5.14	-40.62
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21	REAL300017817791	0	43	-1.0	-54.95	374.97	8.16	-46.79
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CC(=O)OC)C=C1	REAL300017817792	0	43	-1.0	-48.45	368.34	7.04	-41.41
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017817793	0	41	-1.0	-60.08	327.61	7.50	-52.58
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300017817794	0	44	-1.0	-51.59	365.62	6.99	-44.60
CCCC(C(=O)[O-])N(C)S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017817795	0	52	-1.0	-55.50	418.01	7.09	-48.41
CCCC(C(=O)[O-])N(C)S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017817796	0	52	-1.0	-54.58	426.19	7.51	-47.07
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017817797	0	49	-1.0	-44.14	415.11	6.87	-37.27
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300017817798	0	36	-1.0	-50.42	322.98	5.60	-44.82
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300017817799	0	45	-1.0	-66.88	361.81	6.28	-60.60
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017817800	0	34	-1.0	-43.19	315.54	6.42	-36.77
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017817801	0	34	-1.0	-39.51	327.51	6.67	-32.84
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300017817802	0	44	-1.0	-48.89	347.84	7.05	-41.84
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300017817803	0	38	-1.0	-48.62	322.80	6.13	-42.49
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300017817804	0	40	-1.0	-42.78	350.19	6.19	-36.59
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300017817805	0	38	-1.0	-46.08	331.46	5.92	-40.16
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(OC)=CC=C1C	REAL300017817806	0	41	-1.0	-46.51	327.82	5.40	-41.11
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017817807	0	35	-1.0	-47.46	323.91	6.22	-41.24
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300017817808	0	41	-1.0	-43.38	342.16	5.92	-37.46
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1	REAL300017817809	0	40	-1.0	-37.85	365.79	6.41	-31.44
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1	REAL300017817810	0	41	-1.0	-49.38	352.06	4.52	-44.86
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300017817811	0	42	-1.0	-44.73	349.77	4.80	-39.93
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017817812	0	38	-1.0	-44.12	336.35	5.15	-38.97
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017817813	0	37	-1.0	-41.67	335.71	6.65	-35.02
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300017817814	0	45	-1.0	-50.31	383.24	2.56	-47.75
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2SC(C(=O)OCC)=CC2=C1	REAL300017817815	0	46	-1.0	-45.86	404.11	8.65	-37.21
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017817816	0	38	-1.0	-47.96	331.74	6.76	-41.20
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C=C1Br	REAL300017817817	0	38	-1.0	-43.58	330.79	5.39	-38.19
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017817818	0	39	-1.0	-55.10	348.15	1.21	-53.89
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300017817819	0	40	-1.0	-44.79	324.45	4.65	-40.14
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300017817820	0	40	-1.0	-47.46	336.75	6.86	-40.60
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017817821	0	34	-1.0	-40.60	314.57	6.43	-34.17
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300017817822	0	40	-1.0	-48.38	311.03	6.63	-41.75
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017817823	0	34	-1.0	-40.47	318.14	6.58	-33.89
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2	REAL300017817824	0	44	-1.0	-44.84	362.15	2.59	-42.25
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)S1	REAL300017817825	0	32	-1.0	-41.35	303.35	5.06	-36.29
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017817826	0	35	-1.0	-48.75	311.42	3.99	-44.76
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC(OC)=C1	REAL300017817827	0	37	-1.0	-48.90	307.52	2.64	-46.26
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017817828	0	34	-1.0	-44.78	313.74	6.20	-38.58
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300017817829	0	44	-1.0	-50.55	364.68	5.94	-44.61
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017817830	0	38	-1.0	-47.26	340.77	2.78	-44.48
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OCC)=C1	REAL300017817831	0	41	-1.0	-45.71	340.88	5.72	-39.99
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017817832	0	45	-1.0	-50.38	364.79	6.94	-43.44
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017817833	0	38	-1.0	-42.56	348.02	6.77	-35.79
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017817871	0	35	-1.0	-45.89	317.26	6.17	-39.72
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300017817872	0	38	-1.0	-42.98	319.12	6.49	-36.49
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1	REAL300017817873	0	48	-1.0	-54.38	386.03	4.84	-49.54
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300017817874	0	42	-1.0	-48.52	356.72	6.36	-42.16
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300017817875	0	39	-1.0	-41.14	335.09	6.69	-34.45
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC=C1Br	REAL300017817876	0	37	-1.0	-44.24	322.09	6.65	-37.59
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300017817877	0	37	-1.0	-51.38	326.07	4.26	-47.12
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300017817878	0	45	-1.0	-54.27	371.68	6.01	-48.26
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017817879	0	36	-1.0	-45.58	323.38	5.07	-40.51
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300017817880	0	44	-1.0	-49.16	369.11	6.16	-43.00
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(OC)C=CS1	REAL300017817881	0	35	-1.0	-48.29	310.30	4.20	-44.09
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300017817882	0	44	-1.0	-61.98	364.77	5.24	-56.74
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCCC(F)(F)F	REAL300017817883	0	36	-1.0	-57.34	308.48	5.02	-52.32
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017817884	0	39	-1.0	-48.22	338.54	5.65	-42.57
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017817885	0	40	-1.0	-48.82	330.72	3.28	-45.54
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300017817886	0	46	-1.0	-52.48	354.41	5.77	-46.71
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017817887	0	36	-1.0	-40.11	326.12	4.82	-35.29
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC=C1Cl	REAL300017817888	0	37	-1.0	-44.91	318.70	6.55	-38.36
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300017817889	0	42	-1.0	-60.28	334.26	5.70	-54.58
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300017817890	0	36	-1.0	-41.44	320.16	4.71	-36.73
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017817891	0	40	-1.0	-53.78	334.61	4.23	-49.55
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017817892	0	33	-1.0	-39.50	312.55	5.36	-34.14
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300017817893	0	43	-1.0	-51.52	355.36	6.92	-44.60
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300017817894	0	38	-1.0	-53.61	312.36	5.96	-47.65
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300017817895	0	42	-1.0	-52.38	342.47	3.94	-48.44
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017817896	0	35	-1.0	-41.64	318.57	6.34	-35.30
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300017817897	0	40	-1.0	-56.39	331.68	6.67	-49.72
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300017817898	0	42	-1.0	-61.44	333.27	6.87	-54.57
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CC)C(CC)=C1	REAL300017817899	0	46	-1.0	-51.02	360.41	7.89	-43.13
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300017817900	0	42	-1.0	-46.53	333.00	7.34	-39.19
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C)=C1Cl	REAL300017817901	0	37	-1.0	-47.07	311.07	6.33	-40.74
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)OC(C(=O)OC)=C1	REAL300017817902	0	40	-1.0	-45.66	343.63	5.01	-40.65
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(C)S1	REAL300017817903	0	37	-1.0	-51.27	316.71	5.62	-45.65
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=CC=C1F	REAL300017817904	0	37	-1.0	-45.41	303.45	6.25	-39.16
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017817905	0	35	-1.0	-42.74	306.84	3.37	-39.37
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(CC)S1	REAL300017817906	0	36	-1.0	-43.03	321.54	4.20	-38.83
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017817907	0	40	-1.0	-45.38	326.97	7.05	-38.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSN=C1C(=O)OC	REAL300017817908	0	36	-1.0	-47.89	319.38	4.07	-43.82
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300017817909	0	36	-1.0	-57.56	311.96	3.33	-54.23
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300017817910	0	40	-1.0	-42.27	336.51	6.94	-35.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017817911	0	42	-1.0	-51.06	350.46	3.96	-47.10
CCCC(C(=O)[O-])N(C)S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017817912	0	45	-1.0	-44.55	355.39	3.66	-40.89
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)C(C(=O)OC)=C1	REAL300017817913	0	41	-1.0	-56.50	345.09	5.44	-51.06
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017817914	0	33	-1.0	-46.25	295.21	3.95	-42.30
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C)=C1F	REAL300017817915	0	37	-1.0	-49.88	310.65	6.14	-43.74
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300017817916	0	45	-1.0	-46.83	374.00	7.43	-39.40
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017817917	0	37	-1.0	-54.72	329.30	6.63	-48.09
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017817918	0	37	-1.0	-41.81	335.82	6.79	-35.02
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017817919	0	34	-1.0	-46.52	303.46	6.32	-40.20
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300017817920	0	37	-1.0	-49.62	311.01	5.90	-43.72
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(Cl)C(OC)=C1	REAL300017817921	0	37	-1.0	-46.22	324.14	3.13	-43.09
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017817922	0	38	-1.0	-57.64	333.42	6.50	-51.14
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)N=C1	REAL300017817923	0	39	-1.0	-42.62	341.62	4.33	-38.29
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017817924	0	33	-1.0	-43.52	304.77	4.78	-38.74
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(COC)C=C1	REAL300017817925	0	41	-1.0	-44.80	345.95	5.24	-39.56
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300017817926	0	39	-1.0	-43.66	335.95	5.90	-37.76
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1	REAL300017817927	0	40	-1.0	-42.98	360.99	6.77	-36.21
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017817928	0	37	-1.0	-41.09	324.01	3.23	-37.86
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC)N=C1	REAL300017817929	0	40	-1.0	-43.90	340.43	3.21	-40.69
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017817930	0	43	-1.0	-55.90	376.41	3.80	-52.10
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1	REAL300017817931	0	41	-1.0	-58.10	344.57	4.25	-53.85
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1	REAL300017817932	0	48	-1.0	-58.78	383.01	7.18	-51.60
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017817933	0	37	-1.0	-46.74	315.25	4.14	-42.60
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300017817934	0	40	-1.0	-40.24	340.72	7.21	-33.03
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300017817935	0	44	-1.0	-50.78	375.91	2.99	-47.79
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1	REAL300017817936	0	51	-1.0	-48.31	402.25	7.45	-40.86
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1	REAL300017817937	0	43	-1.0	-49.28	368.28	6.78	-42.50
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300017817938	0	43	-1.0	-44.63	357.43	7.76	-36.87
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017817939	0	37	-1.0	-45.99	320.99	6.75	-39.24
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017817940	0	37	-1.0	-40.86	323.86	7.20	-33.66
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1	REAL300017817941	0	48	-1.0	-51.14	401.06	3.69	-47.45
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OCC)=CC=C1OC	REAL300017817942	0	47	-1.0	-51.15	391.23	7.01	-44.14
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(C(=O)OCC)=C1	REAL300017817943	0	46	-1.0	-50.01	376.11	7.44	-42.57
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(CC(=O)OCC)=C1	REAL300017817944	0	46	-1.0	-48.87	388.33	7.86	-41.01
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC	REAL300017817945	0	45	-1.0	-49.99	381.86	5.41	-44.58
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OCC)=C(C)C=C1F	REAL300017817946	0	46	-1.0	-44.89	383.04	7.63	-37.26
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017817947	0	40	-1.0	-54.55	345.49	7.39	-47.16
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OCC)=CC=C1F	REAL300017817948	0	43	-1.0	-47.38	369.06	7.08	-40.30
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017817949	0	44	-1.0	-48.65	363.68	9.02	-39.63
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(CCC)C(=O)[O-])C=C1	REAL300017817950	0	48	-1.0	-48.42	410.53	3.38	-45.04
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1Br	REAL300017817951	0	37	-1.0	-45.51	331.97	6.88	-38.63
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)C(C(=O)C(=O)OCC)=C1	REAL300017817952	0	46	-1.0	-54.37	385.94	6.55	-47.82
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017817953	0	38	-1.0	-46.79	337.23	6.47	-40.32
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017817954	0	37	-1.0	-46.04	325.05	6.44	-39.60
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300017817955	0	36	-1.0	-41.71	314.28	4.88	-36.83
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300017817956	0	37	-1.0	-50.13	330.94	5.08	-45.05
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017817957	0	35	-1.0	-45.49	306.83	4.11	-41.38
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC(C)(C)C(=O)OC	REAL300017817958	0	42	-1.0	-51.54	332.45	5.18	-46.36
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1	REAL300017817959	0	47	-1.0	-50.98	381.62	6.44	-44.54
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)C=C1F	REAL300017817960	0	40	-1.0	-44.91	347.84	6.26	-38.65
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC	REAL300017817961	0	45	-1.0	-51.01	381.86	4.90	-46.11
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1	REAL300017817962	0	49	-1.0	-46.80	403.79	8.32	-38.48
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1	REAL300017817963	0	46	-1.0	-51.58	395.05	4.81	-46.77
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1(C(=O)OC)CCCC1	REAL300017817964	0	46	-1.0	-44.86	363.93	6.58	-38.28
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300017817965	0	41	-1.0	-50.45	355.01	5.40	-45.05
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300017817966	0	40	-1.0	-41.17	345.30	7.02	-34.15
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017817967	0	45	-1.0	-42.59	396.29	8.86	-33.73
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(CC(=O)OC)=C1	REAL300017817968	0	43	-1.0	-48.61	366.42	7.04	-41.57
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC12CCC(CC1)C2	REAL300017817969	0	44	-1.0	-54.80	328.35	6.88	-47.92
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017817970	0	40	-1.0	-43.03	352.36	7.46	-35.57
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1(C(=O)OC)CCC1	REAL300017817971	0	43	-1.0	-44.72	348.29	6.03	-38.69
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017817972	0	34	-1.0	-47.34	315.03	5.54	-41.80
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1	REAL300017817973	0	47	-1.0	-54.21	393.04	5.53	-48.68
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(COC)=CC(C(=O)OCC)=C1	REAL300017817974	0	50	-1.0	-53.81	414.90	6.46	-47.35
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1(C(=O)OC)CCCCC1	REAL300017817975	0	49	-1.0	-59.18	369.68	6.84	-52.34
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F	REAL300017817976	0	42	-1.0	-48.45	359.99	6.46	-41.99
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017817977	0	36	-1.0	-59.14	309.02	4.12	-55.02
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017817978	0	38	-1.0	-49.39	320.46	5.39	-44.00
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300017817979	0	47	-1.0	-52.77	389.33	9.33	-43.44
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017817980	0	37	-1.0	-54.16	338.83	6.98	-47.18
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017817981	0	37	-1.0	-54.82	329.67	6.69	-48.13
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C=CC(OC)=C1F	REAL300017817982	0	38	-1.0	-50.64	338.35	5.83	-44.81
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(C)C=C(C#N)C=C1C	REAL300017817983	0	44	-1.0	-55.19	358.12	7.57	-47.62
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCC(C)(C)C1CC1	REAL300017817984	0	46	-1.0	-41.76	353.76	6.94	-34.82
CCCC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017817985	0	38	-1.0	-53.34	332.87	7.07	-46.27
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCCC(C)(F)F	REAL300017817986	0	39	-1.0	-57.82	322.63	5.50	-52.32
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCCC1=CC=CC=C1	REAL300017817987	0	43	-1.0	-56.47	350.29	7.55	-48.92
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300017817989	0	38	-1.0	-47.81	325.31	1.05	-46.76
CCCC1=CC=CC=C1S(=O)(=O)N(C)C(CCC)C(=O)[O-]	REAL300017817993	0	43	-1.0	-45.65	340.24	8.04	-37.61
CCCC(C(=O)[O-])N(C)S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017817994	0	43	-1.0	-56.50	345.66	5.99	-50.51
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC=C1C(F)F	REAL300017817995	0	34	-1.0	-56.88	290.83	5.21	-51.67
CCCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017817996	0	40	-1.0	-55.24	335.21	6.83	-48.41
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300017817997	0	50	-1.0	-49.03	405.51	8.38	-40.65
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017817998	0	39	-1.0	-49.41	322.94	5.90	-43.51
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O	REAL300017817999	0	54	-1.0	-58.00	408.25	7.71	-50.29
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CN1C	REAL300017818000	0	41	-1.0	-58.00	348.25	5.67	-52.33
CC1=CC=C(CS(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1F	REAL300017819046	0	35	-1.0	-62.46	312.40	5.45	-57.01
CC1=C(Br)C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017819047	0	34	-1.0	-41.88	315.56	5.60	-36.28
COC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC(F)=C1F	REAL300017819048	0	35	-1.0	-52.07	322.09	5.43	-46.64
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017819049	0	41	-1.0	-51.80	334.88	5.26	-46.54
CC1(C(=O)[O-])CCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017819050	0	47	-1.0	-43.12	347.60	5.85	-37.27
CC1=NC2=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=CC=C2C=C1	REAL300017819051	0	37	-1.0	-60.48	315.13	5.66	-54.82
CC1(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017819052	0	37	-1.0	-67.73	326.66	5.93	-61.80
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017819053	0	40	-1.0	-53.47	329.02	2.31	-51.16
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819054	0	43	-1.0	-43.60	369.09	5.57	-38.03
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017819055	0	30	-1.0	-44.23	299.93	4.87	-39.36
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1Cl	REAL300017819056	0	32	-1.0	-47.29	286.23	4.91	-42.38
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017819057	0	35	-1.0	-65.62	298.88	4.79	-60.83
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C2)=N1	REAL300017819058	0	38	-1.0	-58.83	342.62	6.15	-52.68
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1F	REAL300017819059	0	35	-1.0	-47.82	329.08	5.09	-42.73
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819060	0	38	-1.0	-59.73	330.66	5.01	-54.72
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819061	0	35	-1.0	-43.55	317.64	6.02	-37.53
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017819062	0	32	-1.0	-59.47	305.55	5.25	-54.22
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017819063	0	29	-1.0	-52.76	294.50	5.82	-46.94
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819064	0	36	-1.0	-53.73	306.70	1.24	-52.49
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819065	0	54	-1.0	-56.29	436.72	9.61	-46.68
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819066	0	44	-1.0	-61.20	366.24	7.02	-54.18
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819067	0	39	-1.0	-41.07	339.98	6.60	-34.47
CC1(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017819068	0	35	-1.0	-59.62	313.58	5.58	-54.04
CC1(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300017819069	0	35	-1.0	-44.85	310.77	5.72	-39.13
CC1(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017819070	0	35	-1.0	-43.87	317.88	6.06	-37.81
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819071	0	33	-1.0	-50.65	308.80	4.45	-46.20
COC1=CC2=C(C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-])C(=O)NCCC2	REAL300017819072	0	44	-1.0	-53.62	364.66	2.95	-50.67
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])S2)C1	REAL300017819073	0	40	-1.0	-49.27	342.92	4.37	-44.90
CC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017819074	0	36	-1.0	-61.12	330.15	7.05	-54.07
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300017819075	0	33	-1.0	-44.57	310.23	1.37	-43.20
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017819076	0	32	-1.0	-58.91	308.77	5.37	-53.54
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819077	0	42	-1.0	-49.85	340.85	5.46	-44.39
CC(CC(F)(F)F)CS(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819078	0	34	-1.0	-40.52	295.26	4.42	-36.10
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017819079	0	36	-1.0	-59.06	315.16	6.15	-52.91
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCC3(C)C(=O)[O-])=C2)=N1	REAL300017819080	0	41	-1.0	-49.53	348.60	3.73	-45.80
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819081	0	33	-1.0	-57.39	291.07	4.56	-52.83
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])O1	REAL300017819082	0	35	-1.0	-53.84	319.22	3.36	-50.48
CCC1=NC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CN1CC1CC1	REAL300017819083	0	42	-1.0	-60.25	359.68	6.01	-54.24
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C2C1	REAL300017819084	0	40	-1.0	-61.91	335.81	4.36	-57.55
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017819085	0	32	-1.0	-53.60	301.60	3.49	-50.11
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017819086	0	32	-1.0	-71.36	305.47	4.37	-66.99
CCCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(C)C	REAL300017819087	0	48	-1.0	-58.25	387.93	7.74	-50.51
CC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017819088	0	37	-1.0	-45.50	319.30	6.17	-39.33
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017819089	0	42	-1.0	-52.69	363.39	6.27	-46.42
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017819090	0	43	-1.0	-55.60	368.28	7.15	-48.45
COC(CS(=O)(=O)N1CCC1(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300017819091	0	39	-1.0	-45.17	329.39	5.45	-39.72
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017819092	0	41	-1.0	-51.98	334.66	5.24	-46.74
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1Cl	REAL300017819093	0	37	-1.0	-51.64	332.66	2.70	-48.94
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=CC=C12	REAL300017819094	0	41	-1.0	-49.88	347.37	6.74	-43.14
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C	REAL300017819095	0	40	-1.0	-51.17	336.47	3.00	-48.17
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1(C(F)F)CCCC1	REAL300017819096	0	38	-1.0	-58.21	308.28	5.36	-52.85
CCOC1(CS(=O)(=O)N2CCC2(C)C(=O)[O-])CCOCC1	REAL300017819097	0	43	-1.0	-62.89	339.50	2.76	-60.13
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1F	REAL300017819098	0	35	-1.0	-48.13	318.76	4.65	-43.48
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=C(Cl)C=C21	REAL300017819099	0	40	-1.0	-55.33	349.44	5.53	-49.80
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819100	0	32	-1.0	-44.17	302.55	2.81	-41.36
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017819101	0	40	-1.0	-55.84	351.43	7.88	-47.96
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819102	0	32	-1.0	-41.57	297.54	5.28	-36.29
CC1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1Br	REAL300017819103	0	32	-1.0	-44.82	290.87	5.18	-39.64
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819104	0	35	-1.0	-61.82	303.48	5.72	-56.10
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017819105	0	37	-1.0	-47.19	309.98	1.52	-45.67
COC1=CC(Br)=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819106	0	33	-1.0	-48.55	301.57	3.72	-44.83
COC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017819107	0	35	-1.0	-45.51	305.50	4.52	-40.99
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819108	0	35	-1.0	-61.36	304.59	6.14	-55.22
COCCN1C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=N1	REAL300017819109	0	36	-1.0	-54.81	316.23	2.32	-52.49
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819110	0	42	-1.0	-50.15	351.12	5.65	-44.50
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017819111	0	36	-1.0	-59.71	320.74	5.22	-54.49
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1C	REAL300017819112	0	56	-1.0	-59.73	443.78	9.07	-50.66
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1F	REAL300017819113	0	43	-1.0	-52.04	361.88	1.75	-50.29
CC1(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017819114	0	37	-1.0	-62.28	335.39	6.19	-56.09
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017819115	0	29	-1.0	-47.53	277.82	4.45	-43.08
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017819116	0	32	-1.0	-42.00	295.48	5.03	-36.97
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017819117	0	36	-1.0	-59.88	315.44	1.68	-58.20
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CC=C21	REAL300017819118	0	38	-1.0	-45.30	326.73	4.77	-40.53
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819119	0	32	-1.0	-43.04	288.81	5.16	-37.88
COC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1Br	REAL300017819120	0	33	-1.0	-46.64	299.96	3.76	-42.88
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1	REAL300017819121	0	32	-1.0	-51.73	328.40	1.16	-50.57
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017819122	0	32	-1.0	-62.29	300.43	3.77	-58.52
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300017819123	0	40	-1.0	-57.83	333.91	5.94	-51.89
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300017819124	0	37	-1.0	-53.45	329.76	0.58	-52.87
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])S1	REAL300017819125	0	43	-1.0	-53.95	387.23	1.51	-52.44
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(OC)=C1	REAL300017819126	0	44	-1.0	-52.54	383.37	1.51	-51.03
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])S1	REAL300017819127	0	48	-1.0	-55.61	406.76	4.85	-50.76
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1F	REAL300017819128	0	43	-1.0	-52.08	372.72	2.26	-49.82
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300017819129	0	44	-1.0	-71.93	364.80	5.05	-66.88
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1F	REAL300017819130	0	40	-1.0	-52.38	351.22	1.47	-50.91
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1OC	REAL300017819131	0	46	-1.0	-55.63	381.76	2.95	-52.68
COC1=CC=C(Br)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819132	0	33	-1.0	-45.56	302.11	3.91	-41.65
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017819133	0	44	-1.0	-46.32	364.56	4.24	-42.08
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819134	0	38	-1.0	-56.84	332.95	2.21	-54.63
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017819135	0	31	-1.0	-47.25	299.03	3.70	-43.55
CC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1Br	REAL300017819136	0	34	-1.0	-44.15	309.80	4.93	-39.22
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819137	0	34	-1.0	-50.52	310.96	4.92	-45.60
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300017819138	0	30	-1.0	-46.44	292.91	4.80	-41.64
CCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1Br	REAL300017819139	0	36	-1.0	-52.09	322.57	4.68	-47.41
CC1(C(=O)[O-])CCN1S(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017819140	0	43	-1.0	-44.23	377.25	3.62	-40.61
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017819141	0	32	-1.0	-50.38	294.38	4.99	-45.39
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819142	0	42	-1.0	-55.42	370.03	5.76	-49.66
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017819143	0	29	-1.0	-49.94	288.88	6.11	-43.83
COC1=C(C)C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C	REAL300017819144	0	39	-1.0	-54.69	335.37	4.86	-49.83
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819145	0	45	-1.0	-56.20	368.29	7.01	-49.19
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017819146	0	43	-1.0	-57.29	350.43	6.87	-50.42
CC(C)COC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819147	0	42	-1.0	-56.44	349.33	6.40	-50.04
CCCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819148	0	39	-1.0	-56.45	329.22	5.70	-50.75
COC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1Cl	REAL300017819149	0	33	-1.0	-52.51	296.33	3.64	-48.87
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017819150	0	33	-1.0	-50.60	306.09	3.92	-46.68
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1OC(C)C	REAL300017819151	0	42	-1.0	-50.43	340.07	5.40	-45.03
COCCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819152	0	40	-1.0	-58.65	341.35	4.17	-54.48
COCCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C	REAL300017819153	0	43	-1.0	-51.19	355.78	4.04	-47.15
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819154	0	40	-1.0	-51.99	341.55	3.48	-48.51
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017819155	0	44	-1.0	-55.35	356.93	3.32	-52.03
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819156	0	39	-1.0	-53.04	322.96	3.67	-49.37
CC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(Br)=C1	REAL300017819157	0	32	-1.0	-44.34	294.02	5.27	-39.07
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300017819158	0	35	-1.0	-54.55	331.29	2.04	-52.51
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819159	0	35	-1.0	-67.02	322.80	6.23	-60.79
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300017819160	0	30	-1.0	-41.72	286.96	4.62	-37.10
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819161	0	32	-1.0	-41.81	290.80	5.30	-36.51
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1C	REAL300017819162	0	37	-1.0	-62.25	303.18	6.33	-55.92
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819163	0	35	-1.0	-46.66	325.27	5.18	-41.48
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819164	0	38	-1.0	-48.25	331.40	2.24	-46.01
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300017819165	0	33	-1.0	-61.34	308.23	5.77	-55.57
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300017819166	0	30	-1.0	-49.66	287.04	4.60	-45.06
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819167	0	45	-1.0	-56.80	367.60	6.40	-50.40
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017819168	0	41	-1.0	-58.94	365.39	2.53	-56.41
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819169	0	37	-1.0	-59.58	332.99	0.85	-58.73
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])S1	REAL300017819170	0	39	-1.0	-56.48	348.01	2.81	-53.67
COC(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])O1	REAL300017819171	0	32	-1.0	-54.09	301.33	2.78	-51.31
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017819172	0	31	-1.0	-66.14	280.89	5.29	-60.85
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017819173	0	32	-1.0	-40.69	317.23	5.94	-34.75
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C(C)N1	REAL300017819174	0	42	-1.0	-51.49	356.85	4.86	-46.63
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017819175	0	29	-1.0	-59.42	278.52	4.82	-54.60
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])S2)=CS1	REAL300017819176	0	35	-1.0	-52.95	331.08	4.39	-48.56
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017819177	0	49	-1.0	-56.19	390.96	8.30	-47.89
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017819178	0	39	-1.0	-50.14	348.06	3.39	-46.75
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819179	0	38	-1.0	-69.04	320.54	5.80	-63.24
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017819180	0	31	-1.0	-56.65	292.88	6.27	-50.38
COC1=CC(F)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1OC	REAL300017819181	0	37	-1.0	-56.98	314.33	2.94	-54.04
COC1=CC(C)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1OC	REAL300017819182	0	40	-1.0	-47.60	329.23	3.83	-43.77
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017819183	0	31	-1.0	-55.41	300.97	6.20	-49.21
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819184	0	37	-1.0	-60.14	314.87	5.39	-54.75
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017819185	0	32	-1.0	-58.50	296.77	4.75	-53.75
CN1C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(N)=O	REAL300017819186	0	34	-1.0	-50.86	293.86	-0.06	-50.92
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819187	0	32	-1.0	-41.81	286.23	5.19	-36.62
CCOC(=O)C1CCCN1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819188	0	40	-1.0	-67.74	331.39	5.40	-62.34
CNC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CN1C	REAL300017819189	0	37	-1.0	-58.70	320.36	2.36	-56.34
COC1=CC(C)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C)=C1	REAL300017819190	0	39	-1.0	-45.59	314.64	4.90	-40.69
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017819191	0	37	-1.0	-46.05	330.23	3.71	-42.34
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819192	0	38	-1.0	-43.76	338.51	5.59	-38.17
COC(=O)C1CCN(S(=O)(=O)N2CCC2(C)C(=O)[O-])CC1	REAL300017819193	0	40	-1.0	-59.36	326.15	4.36	-55.00
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017819194	0	40	-1.0	-49.80	326.27	3.94	-45.86
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819195	0	38	-1.0	-47.06	338.57	5.58	-41.48
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])O1	REAL300017819196	0	35	-1.0	-53.91	323.19	3.70	-50.21
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819197	0	42	-1.0	-61.14	363.19	5.75	-55.39
COC1=CC(C)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C	REAL300017819198	0	39	-1.0	-46.02	320.14	4.66	-41.36
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017819199	0	33	-1.0	-64.92	289.17	4.18	-60.74
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017819200	0	32	-1.0	-59.32	287.10	5.50	-53.82
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017819201	0	31	-1.0	-56.55	297.45	6.39	-50.16
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819202	0	34	-1.0	-62.19	286.70	5.82	-56.37
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017819203	0	31	-1.0	-49.53	295.81	5.79	-43.74
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Br)C=CS1	REAL300017819204	0	26	-1.0	-57.17	272.43	3.56	-53.61
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017819205	0	33	-1.0	-56.17	289.79	4.82	-51.35
CC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300017819206	0	37	-1.0	-50.42	297.52	4.68	-45.74
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017819207	0	31	-1.0	-62.69	297.38	3.37	-59.32
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017819208	0	37	-1.0	-59.45	315.43	2.92	-56.53
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017819209	0	28	-1.0	-41.45	287.11	3.25	-38.20
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017819210	0	31	-1.0	-50.49	290.25	5.41	-45.08
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017819211	0	31	-1.0	-46.23	295.14	4.91	-41.32
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819212	0	38	-1.0	-62.71	341.89	2.46	-60.25
CCN1C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017819213	0	34	-1.0	-56.55	308.23	4.61	-51.94
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017819214	0	31	-1.0	-48.60	285.63	5.27	-43.33
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017819215	0	31	-1.0	-49.40	285.41	4.54	-44.86
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017819216	0	36	-1.0	-56.99	327.30	5.37	-51.62
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017819217	0	31	-1.0	-66.94	302.93	6.39	-60.55
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017819218	0	43	-1.0	-57.64	367.64	7.96	-49.68
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F	REAL300017819219	0	37	-1.0	-63.17	339.26	1.37	-61.80
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819220	0	37	-1.0	-52.23	313.84	5.07	-47.16
CCOC(=O)N1CCN(S(=O)(=O)N2CCC2(C)C(=O)[O-])CC1	REAL300017819221	0	42	-1.0	-56.41	340.56	3.37	-53.04
COC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017819222	0	38	-1.0	-59.22	335.42	5.69	-53.53
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017819223	0	39	-1.0	-55.90	337.84	5.33	-50.57
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819224	0	51	-1.0	-42.77	400.27	7.19	-35.58
COC(=O)C1=CC=C(Br)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819225	0	35	-1.0	-46.40	327.33	5.27	-41.13
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300017819226	0	37	-1.0	-64.71	329.95	1.39	-63.32
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300017819227	0	44	-1.0	-59.15	378.36	3.81	-55.34
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1	REAL300017819228	0	35	-1.0	-57.45	315.83	1.34	-56.11
COC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1Br	REAL300017819229	0	35	-1.0	-49.72	321.87	4.94	-44.78
CCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C2=CC=CC=C12	REAL300017819230	0	42	-1.0	-49.64	348.78	6.53	-43.11
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819231	0	39	-1.0	-60.57	331.25	5.44	-55.13
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017819232	0	34	-1.0	-74.16	304.77	4.85	-69.31
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017819233	0	36	-1.0	-55.71	312.43	4.88	-50.83
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017819234	0	31	-1.0	-59.59	300.87	5.82	-53.77
CCOCCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819235	0	43	-1.0	-58.63	363.21	5.14	-53.49
CCCCCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819236	0	45	-1.0	-56.27	372.22	7.26	-49.01
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017819237	0	31	-1.0	-63.78	284.97	5.71	-58.07
COC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1F	REAL300017819238	0	35	-1.0	-50.80	310.14	4.49	-46.31
COC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300017819239	0	35	-1.0	-41.43	337.74	5.56	-35.87
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819240	0	39	-1.0	-44.40	334.30	5.08	-39.32
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])S1	REAL300017819241	0	35	-1.0	-53.69	321.28	4.48	-49.21
COC(=O)C1=CSC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819242	0	32	-1.0	-45.33	299.90	3.55	-41.78
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819243	0	41	-1.0	-49.59	343.64	5.83	-43.76
COC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1Cl	REAL300017819244	0	35	-1.0	-49.94	318.13	4.86	-45.08
COC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1C	REAL300017819245	0	38	-1.0	-47.46	321.60	5.00	-42.46
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819246	0	35	-1.0	-60.47	310.40	4.38	-56.09
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017819247	0	39	-1.0	-61.06	305.94	6.94	-54.12
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017819248	0	35	-1.0	-46.28	308.38	6.00	-40.28
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300017819249	0	28	-1.0	-52.81	272.79	3.49	-49.32
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017819250	0	33	-1.0	-55.79	312.76	6.14	-49.65
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017819251	0	34	-1.0	-52.53	307.14	0.16	-52.37
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C2S1	REAL300017819252	0	43	-1.0	-57.38	369.47	6.64	-50.74
COC(=O)CC1(CS(=O)(=O)N2CCC2(C)C(=O)[O-])CC1	REAL300017819253	0	38	-1.0	-57.76	322.50	5.23	-52.53
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819254	0	34	-1.0	-66.43	320.84	4.34	-62.09
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C(F)C=C1F	REAL300017819255	0	32	-1.0	-54.10	282.35	4.41	-49.69
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819256	0	36	-1.0	-55.36	321.30	4.97	-50.39
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CC=C21	REAL300017819257	0	41	-1.0	-52.14	341.53	5.34	-46.80
CCCCCCN1C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(=O)NC1=O	REAL300017819258	0	47	-1.0	-62.13	388.11	4.61	-57.52
CC1=CN(C2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C2F)N=C1	REAL300017819259	0	39	-1.0	-51.14	334.36	5.66	-45.48
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])S1	REAL300017819260	0	36	-1.0	-52.87	331.96	3.12	-49.75
CCS(=O)(=O)NCCS(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819261	0	36	-1.0	-50.39	323.85	-1.06	-51.45
CC1=CC(F)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1F	REAL300017819262	0	32	-1.0	-55.76	282.37	4.43	-51.33
CC1=CC(Cl)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017819263	0	34	-1.0	-43.80	317.01	5.77	-38.03
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300017819264	0	26	-1.0	-53.12	266.17	2.71	-50.41
CC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300017819265	0	35	-1.0	-53.51	318.57	5.08	-48.43
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017819266	0	26	-1.0	-53.89	281.71	4.72	-49.17
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017819267	0	32	-1.0	-49.67	296.86	5.33	-44.34
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017819268	0	32	-1.0	-49.14	307.17	5.77	-43.37
CC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017819269	0	35	-1.0	-56.96	325.89	6.77	-50.19
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017819270	0	32	-1.0	-44.60	312.98	5.92	-38.68
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017819271	0	35	-1.0	-58.96	305.68	6.73	-52.23
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017819272	0	35	-1.0	-53.77	307.69	6.55	-47.22
COC1=CC(Br)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1Cl	REAL300017819273	0	33	-1.0	-42.51	318.07	4.47	-38.04
CN1C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017819274	0	40	-1.0	-57.25	361.16	3.67	-53.58
CCOC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CN1C	REAL300017819275	0	39	-1.0	-62.92	334.87	4.88	-58.04
CCOC(=O)C1CC2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CC=C2O1	REAL300017819276	0	43	-1.0	-54.29	364.33	6.05	-48.24
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300017819277	0	35	-1.0	-56.63	315.84	1.35	-55.28
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O	REAL300017819278	0	38	-1.0	-52.89	347.12	3.77	-49.12
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819279	0	42	-1.0	-60.98	363.80	6.25	-54.73
CC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])SC2=CC=CC(F)=C12	REAL300017819280	0	35	-1.0	-61.05	313.27	6.69	-54.36
CC1(C(=O)[O-])CCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017819281	0	40	-1.0	-65.88	361.91	1.08	-64.80
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017819282	0	30	-1.0	-42.88	290.25	4.86	-38.02
CC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1N(C)C	REAL300017819283	0	40	-1.0	-49.54	325.37	4.45	-45.09
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819284	0	34	-1.0	-43.16	311.27	5.66	-37.50
CSC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1Cl	REAL300017819285	0	33	-1.0	-52.24	306.01	5.27	-46.97
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300017819286	0	32	-1.0	-49.30	301.36	4.70	-44.60
CC1(C(=O)[O-])CCN1S(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017819287	0	41	-1.0	-58.90	362.99	6.52	-52.38
CN(C)C1=CC=C(Br)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819288	0	37	-1.0	-46.11	324.10	5.02	-41.09
CC1=NN2C=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=NC2=C1Cl	REAL300017819289	0	34	-1.0	-54.55	317.06	4.50	-50.05
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819290	0	35	-1.0	-45.18	319.10	5.68	-39.50
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819291	0	41	-1.0	-46.45	339.64	4.74	-41.71
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C12	REAL300017819292	0	36	-1.0	-51.35	317.71	2.40	-48.95
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017819293	0	34	-1.0	-54.02	303.83	5.13	-48.89
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017819294	0	35	-1.0	-50.11	317.88	6.68	-43.43
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819295	0	35	-1.0	-44.93	308.77	5.24	-39.69
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017819296	0	32	-1.0	-72.78	292.84	3.62	-69.16
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017819297	0	32	-1.0	-41.20	317.20	6.00	-35.20
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819298	1	44	-1.0	-57.83	371.81	1.95	-55.88
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300017819299	0	37	-1.0	-49.30	326.97	2.49	-46.81
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017819300	0	28	-1.0	-40.01	283.15	3.13	-36.88
COC(=O)C1CCCCC1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819301	0	41	-1.0	-68.95	328.60	5.93	-63.02
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C2)CC1	REAL300017819302	0	42	-1.0	-47.59	359.29	6.82	-40.77
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=C(Cl)C=C1C#N	REAL300017819303	0	33	-1.0	-43.38	318.88	5.67	-37.71
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017819304	0	35	-1.0	-47.09	319.38	1.82	-45.27
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819305	0	33	-1.0	-51.63	308.80	4.45	-47.18
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017819306	0	38	-1.0	-68.11	324.12	7.76	-60.35
CCC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300017819307	0	38	-1.0	-56.09	323.98	3.79	-52.30
CC1(C(=O)[O-])CCN1S(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017819308	0	46	-1.0	-59.39	370.64	5.85	-53.54
COC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C)=C1F	REAL300017819309	0	36	-1.0	-45.35	305.14	4.04	-41.31
CC1(C(=O)[O-])CCN1S(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017819310	0	49	-1.0	-68.53	380.61	5.69	-62.84
CC1(C(=O)[O-])CCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017819311	0	43	-1.0	-58.79	346.87	4.90	-53.89
CC1(C(=O)[O-])CCN1S(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017819312	0	40	-1.0	-64.00	361.28	4.81	-59.19
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819313	0	37	-1.0	-43.22	330.56	5.84	-37.38
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1(C#N)CCCCC1	REAL300017819314	0	39	-1.0	-71.23	316.93	4.93	-66.30
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017819315	0	38	-1.0	-44.75	316.27	5.42	-39.33
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300017819316	0	44	-1.0	-56.39	376.23	5.63	-50.76
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017819317	0	32	-1.0	-55.45	294.40	3.60	-51.85
COC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1F	REAL300017819318	0	33	-1.0	-47.27	285.76	3.15	-44.12
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819319	0	40	-1.0	-51.38	348.47	4.28	-47.10
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819320	0	43	-1.0	-60.83	378.93	5.23	-55.60
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017819321	0	43	-1.0	-59.31	373.05	7.37	-51.94
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017819322	0	29	-1.0	-45.24	295.64	5.04	-40.20
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CC=C2O1	REAL300017819323	0	44	-1.0	-56.92	380.17	7.37	-49.55
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819324	0	41	-1.0	-68.75	342.40	6.72	-62.03
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017819325	0	29	-1.0	-42.76	284.75	4.86	-37.90
CC1=C(Cl)SC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819326	0	29	-1.0	-45.14	280.62	4.06	-41.08
COC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(F)=C1	REAL300017819327	0	33	-1.0	-56.41	291.51	4.04	-52.37
CC1=CC=C(C)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300017819328	0	37	-1.0	-69.91	315.18	7.11	-62.80
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017819329	0	35	-1.0	-59.81	317.37	6.46	-53.35
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017819330	0	39	-1.0	-39.95	341.75	6.73	-33.22
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819331	0	37	-1.0	-59.19	323.56	2.90	-56.29
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017819332	0	35	-1.0	-48.18	301.60	4.56	-43.62
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017819334	0	32	-1.0	-48.66	283.00	4.67	-43.99
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017819335	0	32	-1.0	-45.80	306.24	5.31	-40.49
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017819336	0	32	-1.0	-54.12	294.40	4.72	-49.40
CC1=CC(Br)=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819337	0	32	-1.0	-46.34	293.49	5.08	-41.26
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819338	0	40	-1.0	-69.65	336.93	2.87	-66.78
CSC1=CC=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819339	0	33	-1.0	-47.45	292.97	5.02	-42.43
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1Br	REAL300017819340	0	36	-1.0	-51.47	325.10	3.45	-48.02
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819341	0	40	-1.0	-56.29	326.02	3.63	-52.66
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017819342	0	41	-1.0	-65.18	354.85	3.83	-61.35
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300017819343	0	35	-1.0	-56.30	336.85	2.80	-53.50
COC1=C(F)C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017819344	0	35	-1.0	-43.08	314.24	4.62	-38.46
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017819345	0	39	-1.0	-46.45	341.49	3.16	-43.29
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017819346	0	40	-1.0	-66.86	349.66	5.63	-61.23
COC(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(OC)=C1	REAL300017819347	0	39	-1.0	-58.28	339.35	5.16	-53.12
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819348	0	32	-1.0	-41.22	297.53	5.29	-35.93
CC1=CC(C)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017819349	0	37	-1.0	-48.21	313.62	5.77	-42.44
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017819350	0	37	-1.0	-56.03	323.64	5.46	-50.57
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819351	0	45	-1.0	-68.20	392.83	3.35	-64.85
CC1(C(=O)[O-])CCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017819352	0	35	-1.0	-44.39	301.37	0.52	-43.87
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CC=C21	REAL300017819353	0	39	-1.0	-53.07	331.01	4.71	-48.36
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017819354	0	34	-1.0	-46.72	299.10	3.99	-42.73
COC1=CC(F)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(F)=C1	REAL300017819355	0	33	-1.0	-47.77	298.94	3.77	-44.00
CCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C)=C1	REAL300017819356	0	39	-1.0	-44.99	322.35	4.93	-40.06
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819357	0	37	-1.0	-56.29	327.39	-0.03	-56.32
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819358	0	38	-1.0	-69.18	333.70	5.62	-63.56
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017819359	0	33	-1.0	-48.37	298.32	4.13	-44.24
CSC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819360	0	33	-1.0	-56.56	296.58	5.70	-50.86
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819361	0	41	-1.0	-54.78	354.51	7.06	-47.72
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300017819362	0	35	-1.0	-59.19	311.89	4.12	-55.07
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819363	0	39	-1.0	-62.16	333.03	4.38	-57.78
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017819364	0	35	-1.0	-61.33	324.40	5.72	-55.61
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819365	0	40	-1.0	-42.01	332.28	5.81	-36.20
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017819366	0	28	-1.0	-43.65	274.71	2.89	-40.76
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017819367	0	35	-1.0	-50.15	302.74	3.72	-46.43
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017819368	0	34	-1.0	-54.12	286.08	4.16	-49.96
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017819369	0	41	-1.0	-58.23	353.42	5.91	-52.32
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017819370	0	29	-1.0	-56.04	276.96	4.35	-51.69
CC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(F)(F)F	REAL300017819371	0	35	-1.0	-45.26	305.20	5.33	-39.93
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017819372	0	35	-1.0	-55.65	331.19	4.74	-50.91
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C12	REAL300017819373	0	37	-1.0	-47.89	317.17	3.52	-44.37
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017819374	0	32	-1.0	-42.04	310.37	5.59	-36.45
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1CCCN1C(=O)OCC1=CC=CC=C1	REAL300017819375	0	50	-1.0	-58.30	416.10	6.83	-51.47
CC1=NOC2=NC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C12	REAL300017819376	0	33	-1.0	-57.03	296.23	1.66	-55.37
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017819377	0	38	-1.0	-60.30	337.92	7.52	-52.78
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017819378	0	31	-1.0	-42.13	300.85	5.29	-36.84
COC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300017819379	0	38	-1.0	-63.31	347.35	5.42	-57.89
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819380	0	35	-1.0	-67.17	312.47	5.79	-61.38
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300017819381	0	32	-1.0	-47.21	297.31	5.38	-41.83
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017819382	0	41	-1.0	-74.84	352.98	3.18	-71.66
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CN=C2S1	REAL300017819383	0	43	-1.0	-54.64	380.89	6.31	-48.33
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017819384	0	36	-1.0	-41.95	329.71	4.71	-37.24
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017819385	0	29	-1.0	-41.85	291.89	5.14	-36.71
COC1=CC(OC)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1Br	REAL300017819386	0	37	-1.0	-47.67	338.46	3.84	-43.83
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CN=C21	REAL300017819387	0	37	-1.0	-44.36	320.46	1.13	-43.23
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300017819388	0	42	-1.0	-57.45	371.90	5.98	-51.47
CCOC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1F	REAL300017819424	0	38	-1.0	-51.32	331.93	5.42	-45.90
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017819425	0	37	-1.0	-67.74	326.03	4.94	-62.80
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017819426	0	29	-1.0	-42.17	277.00	4.58	-37.59
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819427	0	48	-1.0	-70.27	384.02	7.97	-62.30
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017819428	0	32	-1.0	-47.30	310.81	5.82	-41.48
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017819429	0	30	-1.0	-52.89	286.27	5.43	-47.46
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1Cl	REAL300017819430	0	36	-1.0	-52.58	329.66	3.49	-49.09
CC1CC2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CC=C2O1	REAL300017819431	0	37	-1.0	-50.56	307.69	4.40	-46.16
COC1=CC(Cl)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1Cl	REAL300017819432	0	33	-1.0	-42.78	315.99	4.38	-38.40
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819433	0	41	-1.0	-43.64	309.97	6.89	-36.75
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819434	0	41	-1.0	-55.30	342.53	2.75	-52.55
COC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CS1	REAL300017819435	0	32	-1.0	-58.42	298.49	3.50	-54.92
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819436	0	38	-1.0	-46.21	341.39	6.18	-40.03
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017819437	0	40	-1.0	-51.98	356.25	7.16	-44.82
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017819438	0	35	-1.0	-56.52	324.78	4.68	-51.84
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017819439	0	35	-1.0	-55.26	341.51	5.20	-50.06
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1C	REAL300017819440	0	38	-1.0	-46.98	320.72	5.12	-41.86
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017819441	0	31	-1.0	-49.81	300.30	5.10	-44.71
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819442	0	33	-1.0	-52.57	314.84	4.78	-47.79
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819443	0	41	-1.0	-55.83	332.54	5.08	-50.75
CCOC(=O)N1CCC(S(=O)(=O)N2CCC2(C)C(=O)[O-])CC1	REAL300017819444	0	43	-1.0	-51.29	348.37	4.12	-47.17
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C2)=CO1	REAL300017819445	0	38	-1.0	-59.58	332.77	3.75	-55.83
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017819446	0	28	-1.0	-50.03	283.52	3.77	-46.26
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017819447	0	37	-1.0	-51.36	304.48	4.43	-46.93
COC1=CC=C(Cl)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819448	0	33	-1.0	-45.90	300.05	3.81	-42.09
COC(=O)C1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C2=CC=CC=C2S1	REAL300017819449	0	38	-1.0	-54.15	326.51	6.47	-47.68
CC1(C(=O)[O-])CCN1S(=O)(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300017819450	0	50	-1.0	-51.73	408.28	7.17	-44.56
CC1(C(=O)[O-])CCN1S(=O)(=O)C1CCCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017819451	0	50	-1.0	-59.81	416.06	7.05	-52.76
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819452	0	38	-1.0	-64.22	333.34	6.13	-58.09
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=N2)C=C1	REAL300017819453	0	39	-1.0	-50.65	333.89	5.57	-45.08
CC1(C(=O)[O-])CCN1S(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017819454	0	47	-1.0	-60.01	396.25	6.78	-53.23
CC1(C(=O)[O-])CCN1S(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017819455	0	47	-1.0	-62.88	402.00	6.17	-56.71
CC1(C(=O)[O-])CCN1S(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017819456	0	44	-1.0	-45.57	383.61	5.55	-40.02
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])S1	REAL300017819457	0	31	-1.0	-55.61	289.81	4.17	-51.44
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C21	REAL300017819458	0	40	-1.0	-80.76	335.30	5.71	-75.05
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017819459	0	29	-1.0	-45.22	280.58	4.74	-40.48
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017819460	0	29	-1.0	-47.54	286.94	4.87	-42.67
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819461	0	39	-1.0	-60.34	320.85	5.65	-54.69
COC(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1F	REAL300017819462	0	35	-1.0	-54.86	310.11	4.49	-50.37
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819463	0	33	-1.0	-41.12	296.41	4.93	-36.19
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017819464	0	30	-1.0	-41.59	291.25	4.70	-36.89
COC1=CC(C)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1Cl	REAL300017819465	0	36	-1.0	-45.11	316.04	4.48	-40.63
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])S1	REAL300017819466	0	35	-1.0	-52.75	338.23	4.81	-47.94
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1F	REAL300017819467	0	36	-1.0	-52.97	311.70	2.83	-50.14
COC1=CC(Cl)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1OC	REAL300017819468	0	37	-1.0	-45.39	329.18	3.73	-41.66
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017819469	0	33	-1.0	-52.25	296.27	3.44	-48.81
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017819470	0	32	-1.0	-41.64	295.14	4.86	-36.78
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C	REAL300017819471	0	40	-1.0	-51.00	342.09	0.89	-50.11
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CC=C2S1	REAL300017819472	0	41	-1.0	-47.78	365.39	6.86	-40.92
COC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(Br)=C1	REAL300017819473	0	33	-1.0	-55.28	297.05	4.42	-50.86
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017819474	0	34	-1.0	-60.80	307.57	-0.66	-61.46
CC1=CC2=C(C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-])OCO2	REAL300017819475	0	35	-1.0	-46.16	297.00	3.38	-42.78
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300017819476	0	35	-1.0	-43.87	322.89	5.19	-38.68
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819477	0	35	-1.0	-47.48	310.50	5.26	-42.22
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017819478	0	29	-1.0	-52.50	282.29	5.56	-46.94
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819479	0	35	-1.0	-41.50	291.64	5.69	-35.81
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017819480	0	29	-1.0	-41.56	289.37	5.14	-36.42
COC1=CC2=C(C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-])OCC(=O)N2	REAL300017819481	0	39	-1.0	-48.60	339.27	1.09	-47.51
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017819482	0	30	-1.0	-61.08	275.18	2.78	-58.30
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017819483	0	29	-1.0	-61.57	276.01	5.16	-56.41
COC(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1OC	REAL300017819484	0	39	-1.0	-51.27	332.01	4.49	-46.78
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017819485	0	33	-1.0	-50.70	302.02	1.08	-49.62
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C2OC(C)(C)CC2=CC=C1	REAL300017819486	0	40	-1.0	-56.12	332.52	5.19	-50.93
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017819487	0	33	-1.0	-40.72	307.47	4.99	-35.73
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017819528	0	30	-1.0	-45.44	283.79	4.64	-40.80
COC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300017819529	0	43	-1.0	-51.89	349.44	4.06	-47.83
CC1CC2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CC(Cl)=C2O1	REAL300017819530	0	37	-1.0	-58.34	330.21	5.80	-52.54
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017819531	0	34	-1.0	-44.76	294.98	4.99	-39.77
CCOC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017819532	0	43	-1.0	-43.26	365.72	6.42	-36.84
CC1=CC=C(Br)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819533	0	32	-1.0	-44.46	294.06	5.28	-39.18
COC(=O)C1=COC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819534	0	32	-1.0	-58.28	296.27	3.43	-54.85
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=N1	REAL300017819535	0	40	-1.0	-60.26	339.59	4.53	-55.73
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017819536	0	31	-1.0	-50.43	282.87	3.31	-47.12
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819537	0	39	-1.0	-61.72	334.62	5.34	-56.38
CC(=O)NC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1C	REAL300017819538	0	39	-1.0	-59.02	325.70	3.59	-55.43
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017819539	0	34	-1.0	-67.93	303.29	4.79	-63.14
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017819540	0	35	-1.0	-50.18	297.17	1.67	-48.51
CN1CCCC2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C21	REAL300017819541	0	41	-1.0	-58.97	330.69	5.23	-53.74
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017819542	0	31	-1.0	-49.02	286.31	3.04	-45.98
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819543	0	32	-1.0	-44.81	292.01	5.18	-39.63
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819544	0	37	-1.0	-52.51	314.93	4.69	-47.82
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CN=C1Cl	REAL300017819545	0	31	-1.0	-51.79	287.08	3.91	-47.88
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017819546	0	35	-1.0	-48.73	302.18	2.86	-45.87
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017819547	0	28	-1.0	-53.93	272.41	3.58	-50.35
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])S1	REAL300017819548	0	38	-1.0	-55.81	334.84	5.62	-50.19
COC1=CC(OC)=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819549	0	37	-1.0	-54.71	309.80	2.40	-52.31
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017819550	0	30	-1.0	-42.10	291.35	4.92	-37.18
CN1C=NC2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CC=C21	REAL300017819551	0	35	-1.0	-54.61	299.00	5.17	-49.44
CC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017819552	0	37	-1.0	-66.75	303.31	6.01	-60.74
CCC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1CC	REAL300017819553	0	41	-1.0	-51.38	327.77	6.37	-45.01
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819554	0	37	-1.0	-40.69	313.51	6.29	-34.40
CC1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1Cl	REAL300017819555	0	32	-1.0	-45.17	289.36	5.11	-40.06
COC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C(C)O1	REAL300017819556	0	35	-1.0	-46.46	317.95	3.61	-42.85
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017819557	0	30	-1.0	-44.23	279.69	1.88	-42.35
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017819558	0	35	-1.0	-70.18	313.31	5.40	-64.78
COC(=O)C1=NSC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819559	0	31	-1.0	-47.23	287.48	2.49	-44.74
COC(=O)C1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])SC=N1	REAL300017819560	0	31	-1.0	-56.50	299.33	1.67	-54.83
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC(C)=C1F	REAL300017819561	0	35	-1.0	-52.65	308.83	5.31	-47.34
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017819562	0	37	-1.0	-53.93	310.34	2.27	-51.66
CC1(C(=O)[O-])CCN1S(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017819563	0	40	-1.0	-57.98	320.23	2.74	-55.24
COC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CN1C	REAL300017819564	0	36	-1.0	-48.21	313.08	3.87	-44.34
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819565	0	40	-1.0	-55.76	339.00	6.52	-49.24
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017819566	0	32	-1.0	-60.64	307.71	5.28	-55.36
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017819567	0	32	-1.0	-40.28	306.36	5.49	-34.79
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017819568	0	29	-1.0	-59.83	274.95	4.67	-55.16
COC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CN=C1Cl	REAL300017819569	0	32	-1.0	-50.75	297.28	2.65	-48.10
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017819570	0	33	-1.0	-63.44	311.82	5.16	-58.28
COC(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=N1	REAL300017819571	0	34	-1.0	-46.49	301.57	2.64	-43.85
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017819572	0	28	-1.0	-55.61	275.08	3.93	-51.68
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819573	0	34	-1.0	-57.88	305.40	4.90	-52.98
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819574	0	35	-1.0	-53.87	322.30	4.97	-48.90
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017819575	0	32	-1.0	-42.36	302.17	2.02	-40.34
CCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=N1	REAL300017819576	0	35	-1.0	-50.12	299.81	1.35	-48.77
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017819577	0	38	-1.0	-71.72	341.41	2.88	-68.84
CC(=O)NC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1F	REAL300017819578	0	36	-1.0	-60.23	312.82	2.83	-57.40
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C21	REAL300017819579	0	43	-1.0	-70.03	342.41	5.41	-64.62
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819580	0	35	-1.0	-41.13	310.11	5.72	-35.41
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819581	0	46	-1.0	-51.03	387.56	3.51	-47.52
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819582	0	39	-1.0	-49.05	340.38	1.93	-47.12
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C2CC1	REAL300017819583	0	46	-1.0	-51.20	363.54	5.75	-45.45
COC(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(F)(F)F	REAL300017819584	0	38	-1.0	-53.99	335.65	5.27	-48.72
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819585	0	38	-1.0	-44.76	330.82	6.44	-38.32
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017819586	0	32	-1.0	-52.62	288.53	5.20	-47.42
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017819587	0	32	-1.0	-53.81	292.44	6.35	-47.46
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819588	0	43	-1.0	-52.87	362.34	2.01	-50.86
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819589	0	42	-1.0	-44.16	356.16	6.00	-38.16
CCOC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1C	REAL300017819590	0	41	-1.0	-47.25	343.46	5.91	-41.34
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819591	0	41	-1.0	-55.50	349.64	6.15	-49.35
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1OC	REAL300017819592	0	40	-1.0	-60.64	354.87	4.05	-56.59
CCOC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C(F)C=C1C	REAL300017819593	0	41	-1.0	-55.79	348.26	5.86	-49.93
CC1(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017819594	0	35	-1.0	-43.99	321.99	6.21	-37.78
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819595	0	38	-1.0	-59.98	332.26	5.31	-54.67
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017819596	0	39	-1.0	-56.41	324.97	7.22	-49.19
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819597	0	43	-1.0	-58.80	375.53	2.47	-56.33
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300017819598	0	32	-1.0	-46.76	300.57	5.50	-41.26
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CN1C	REAL300017819599	0	41	-1.0	-55.98	358.49	5.93	-50.05
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017819600	0	33	-1.0	-59.60	305.99	4.90	-54.70
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017819601	0	32	-1.0	-56.87	288.57	5.55	-51.32
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819602	0	31	-1.0	-47.08	276.56	3.13	-43.95
CC1=NC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C(Br)N1C	REAL300017819603	0	32	-1.0	-60.42	302.55	3.45	-56.97
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017819604	0	30	-1.0	-50.02	279.85	3.54	-46.48
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819605	0	42	-1.0	-53.28	344.76	4.68	-48.60
COC(=O)C1=CC(Br)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])S1	REAL300017819606	0	32	-1.0	-47.20	322.31	4.37	-42.83
COC(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(F)=C1	REAL300017819607	0	35	-1.0	-54.30	316.78	5.40	-48.90
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819608	0	40	-1.0	-56.84	351.93	3.31	-53.53
CC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300017819609	0	44	-1.0	-47.60	363.73	6.63	-40.97
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819610	0	41	-1.0	-61.20	360.05	3.90	-57.30
COCCOC1=C(Cl)C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1Cl	REAL300017819611	0	40	-1.0	-51.68	382.81	4.71	-46.97
COC(=O)C1(CS(=O)(=O)N2CCC2(C)C(=O)[O-])CCCC1	REAL300017819612	0	41	-1.0	-56.13	331.18	5.22	-50.91
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819613	0	36	-1.0	-49.58	322.59	4.03	-45.55
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300017819614	0	35	-1.0	-46.44	305.19	5.32	-41.12
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017819615	0	40	-1.0	-48.56	356.25	7.17	-41.39
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819616	0	38	-1.0	-55.89	327.77	5.23	-50.66
CC1(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300017819617	0	35	-1.0	-43.78	321.40	6.14	-37.64
COC(=O)C1(CS(=O)(=O)N2CCC2(C)C(=O)[O-])CCC1	REAL300017819618	0	38	-1.0	-67.98	324.17	4.39	-63.59
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017819619	0	29	-1.0	-45.76	284.46	4.07	-41.69
CC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1I	REAL300017819620	0	32	-1.0	-46.87	296.17	5.43	-41.44
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819621	0	42	-1.0	-51.87	360.63	4.17	-47.70
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819622	0	45	-1.0	-58.85	388.19	5.98	-52.87
COC(=O)C1(CS(=O)(=O)N2CCC2(C)C(=O)[O-])CCCCC1	REAL300017819623	0	44	-1.0	-67.26	337.59	6.56	-60.70
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819624	0	37	-1.0	-62.18	328.55	5.02	-57.16
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=N1	REAL300017819625	0	31	-1.0	-65.16	283.48	3.69	-61.47
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC1(C)C(=O)[O-])=C2	REAL300017819626	0	42	-1.0	-54.03	350.58	7.64	-46.39
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017819627	0	32	-1.0	-46.36	315.40	5.95	-40.41
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017819628	0	32	-1.0	-47.22	306.28	5.54	-41.68
COC1=CC=C(Br)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1F	REAL300017819629	0	33	-1.0	-60.91	307.64	4.12	-56.79
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819630	0	39	-1.0	-42.28	334.58	6.52	-35.76
CC1(C(=O)[O-])CCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017819631	0	33	-1.0	-47.01	307.06	5.81	-41.20
CC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C(C(N)=O)O1	REAL300017819633	0	33	-1.0	-61.07	293.16	-0.49	-61.56
CC1(C(=O)[O-])CCN1S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017819637	0	38	-1.0	-47.15	322.12	4.94	-42.21
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CSC=C1C(F)F	REAL300017819638	0	29	-1.0	-65.97	280.24	4.10	-61.87
CC1(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017819639	0	35	-1.0	-44.81	311.67	5.77	-39.04
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819640	0	45	-1.0	-57.10	371.59	6.78	-50.32
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017819641	0	34	-1.0	-49.59	293.88	4.45	-45.14
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CC=C21	REAL300017819642	0	49	-1.0	-58.09	375.96	6.22	-51.87
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819643	0	36	-1.0	-65.51	316.95	4.96	-60.55
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017819644	0	43	-1.0	-58.23	352.03	4.77	-53.46
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017819645	0	44	-1.0	-60.47	361.42	6.45	-54.02
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C21	REAL300017819646	0	43	-1.0	-73.88	351.58	5.76	-68.12
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C2)C=C1	REAL300017819647	0	44	-1.0	-49.24	379.71	7.67	-41.57
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017819648	0	39	-1.0	-50.75	325.81	4.43	-46.32
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017819656	0	35	-1.0	-47.65	327.78	5.09	-42.56
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017819657	0	35	-1.0	-47.88	301.52	1.04	-46.84
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Br)C=CO1	REAL300017819658	0	26	-1.0	-58.31	260.49	3.29	-55.02
COC1=C(F)C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1F	REAL300017819659	0	33	-1.0	-50.37	307.72	3.52	-46.85
COC1=CC(F)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1F	REAL300017819660	0	33	-1.0	-55.34	291.33	3.10	-52.24
CCCCCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(C)C	REAL300017819661	0	54	-1.0	-49.49	425.22	8.42	-41.07
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C	REAL300017819662	0	45	-1.0	-48.46	356.51	5.83	-42.63
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819663	0	39	-1.0	-42.20	325.39	5.85	-36.35
CCOCCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(C)C	REAL300017819664	0	52	-1.0	-60.47	421.91	7.16	-53.31
CC1CC2=CC=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=C2O1	REAL300017819665	0	37	-1.0	-50.50	317.54	4.65	-45.85
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])S1	REAL300017819666	0	37	-1.0	-53.35	330.46	3.65	-49.70
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300017819667	0	37	-1.0	-58.75	330.03	6.20	-52.55
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819668	0	33	-1.0	-56.79	295.34	4.55	-52.24
CC1=C(Br)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C(C)S1	REAL300017819669	0	32	-1.0	-55.89	304.17	5.43	-50.46
CC1=CC(Cl)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(Br)=C1	REAL300017819670	0	32	-1.0	-56.35	304.55	6.73	-49.62
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C21	REAL300017819671	0	46	-1.0	-69.58	359.43	5.87	-63.71
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017819672	0	35	-1.0	-59.43	307.64	4.35	-55.08
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C21	REAL300017819673	0	43	-1.0	-60.40	350.31	5.44	-54.96
CN1N=C(Br)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819674	0	29	-1.0	-48.87	282.72	2.16	-46.71
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017819675	0	31	-1.0	-45.20	284.73	2.89	-42.31
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819676	0	34	-1.0	-64.90	296.13	3.42	-61.48
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017819677	0	33	-1.0	-56.00	316.60	4.49	-51.51
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017819678	0	32	-1.0	-51.85	290.40	5.27	-46.58
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017819679	0	33	-1.0	-46.12	307.00	4.45	-41.67
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017819680	0	32	-1.0	-71.99	300.91	4.26	-67.73
CC1=CC(C)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C)=C1F	REAL300017819681	0	38	-1.0	-52.55	307.47	6.00	-46.55
COC1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1OC	REAL300017819682	0	37	-1.0	-59.35	313.44	4.48	-54.87
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017819683	0	38	-1.0	-66.29	319.08	1.02	-65.27
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300017819684	0	30	-1.0	-49.38	291.33	4.69	-44.69
COC1=CC=C(F)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1OC	REAL300017819685	0	37	-1.0	-59.86	318.26	4.22	-55.64
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819686	0	32	-1.0	-51.41	320.42	3.36	-48.05
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(I)S1	REAL300017819687	0	26	-1.0	-46.22	272.07	4.07	-42.15
CN1C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C2CCCC2)=N1	REAL300017819688	0	42	-1.0	-51.79	339.41	4.68	-47.11
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300017819689	0	33	-1.0	-67.81	310.33	5.95	-61.86
CC1(C(=O)[O-])CCN1C(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017819691	0	31	-1.0	-53.96	294.86	8.24	-45.72
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017819692	0	33	-1.0	-60.02	295.62	4.26	-55.76
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017819693	0	33	-1.0	-58.34	316.68	4.50	-53.84
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017819694	0	32	-1.0	-65.61	288.73	3.28	-62.33
CN1N=NC2=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=CC=C21	REAL300017819695	0	34	-1.0	-69.01	295.37	2.79	-66.22
CC1=CC(C)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1Br	REAL300017819697	0	35	-1.0	-43.90	310.55	5.89	-38.01
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017819698	0	35	-1.0	-43.40	324.14	5.19	-38.21
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017819699	0	32	-1.0	-46.86	293.96	4.44	-42.42
CN1C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C2CCC2)=N1	REAL300017819700	0	39	-1.0	-51.75	322.98	4.21	-47.54
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819701	0	47	-1.0	-48.24	367.40	7.72	-40.52
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017819702	0	35	-1.0	-44.55	322.03	5.68	-38.87
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017819703	0	39	-1.0	-47.60	325.89	4.43	-43.17
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017819704	0	33	-1.0	-60.30	293.14	5.89	-54.41
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017819705	0	40	-1.0	-46.15	358.81	6.90	-39.25
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819706	0	42	-1.0	-65.30	346.18	3.08	-62.22
COC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017819707	0	38	-1.0	-77.34	321.57	5.74	-71.60
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819708	0	35	-1.0	-52.78	317.07	2.38	-50.40
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017819709	0	33	-1.0	-44.60	307.27	5.15	-39.45
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCC3(C)C(=O)[O-])C=C2C=C1	REAL300017819710	0	41	-1.0	-53.52	351.36	6.71	-46.81
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300017819711	0	38	-1.0	-47.86	339.84	6.40	-41.46
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819712	0	38	-1.0	-48.42	300.83	3.34	-45.08
CC(C)(C)N1C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=N1	REAL300017819713	0	38	-1.0	-48.59	316.43	3.50	-45.09
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300017819714	0	34	-1.0	-50.71	307.35	4.51	-46.20
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017819715	0	32	-1.0	-45.42	295.93	4.86	-40.56
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017819716	0	29	-1.0	-41.33	273.49	4.20	-37.13
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017819717	0	29	-1.0	-49.41	282.97	3.91	-45.50
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017819718	0	32	-1.0	-41.97	302.72	5.22	-36.75
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017819719	0	32	-1.0	-60.63	279.71	5.40	-55.23
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819720	0	40	-1.0	-51.76	335.38	5.85	-45.91
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017819721	0	40	-1.0	-45.63	324.03	7.03	-38.60
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300017819722	0	39	-1.0	-47.20	330.98	5.49	-41.71
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017819723	0	35	-1.0	-43.97	318.33	5.09	-38.88
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300017819724	0	34	-1.0	-38.22	308.21	5.02	-33.20
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819725	0	39	-1.0	-54.99	352.58	5.45	-49.54
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017819726	0	38	-1.0	-59.68	324.94	3.76	-55.92
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017819727	0	29	-1.0	-41.72	273.82	4.04	-37.68
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017819728	0	32	-1.0	-54.65	282.09	5.90	-48.75
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819729	0	35	-1.0	-50.91	316.62	4.15	-46.76
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017819730	0	36	-1.0	-57.70	304.86	5.83	-51.87
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300017819731	0	31	-1.0	-48.01	305.90	4.05	-43.96
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017819732	0	39	-1.0	-51.05	319.10	4.69	-46.36
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819733	0	38	-1.0	-51.88	323.54	3.84	-48.04
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819734	0	38	-1.0	-62.78	327.60	2.19	-60.59
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300017819735	0	32	-1.0	-62.26	310.34	1.19	-61.07
CN(C1CCCCCC1)S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819736	0	43	-1.0	-56.53	324.14	5.59	-50.94
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819737	0	33	-1.0	-51.49	294.50	3.91	-47.58
CN1C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C2CCOCC2)=N1	REAL300017819738	0	43	-1.0	-55.71	358.26	3.01	-52.70
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819739	0	35	-1.0	-47.81	304.03	5.34	-42.47
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017819740	0	33	-1.0	-50.17	290.07	3.38	-46.79
CC1(C(=O)[O-])CCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017819741	0	44	-1.0	-48.46	345.78	6.40	-42.06
CC1=CC(C)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C2=NC=CC=C12	REAL300017819742	0	40	-1.0	-56.45	329.66	6.31	-50.14
CC1(C(=O)[O-])CCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017819743	0	37	-1.0	-57.20	317.27	4.11	-53.09
CCOCC1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819744	0	39	-1.0	-51.13	327.74	4.49	-46.64
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300017819745	0	32	-1.0	-55.53	321.07	5.99	-49.54
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819748	0	39	-1.0	-52.18	341.48	5.17	-47.01
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017819749	0	42	-1.0	-53.90	338.25	4.72	-49.18
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017819750	0	40	-1.0	-50.27	339.53	6.66	-43.61
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC(C)=C1Br	REAL300017819751	0	35	-1.0	-52.97	319.49	5.73	-47.24
CCN1N=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1Cl	REAL300017819752	0	32	-1.0	-50.38	295.02	2.76	-47.62
CC1(C(=O)[O-])CCN1S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017819753	0	33	-1.0	-46.84	311.08	5.89	-40.95
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCC1(C)C(=O)[O-])=C2	REAL300017819754	0	35	-1.0	-53.81	346.88	5.21	-48.60
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017819755	0	29	-1.0	-43.60	290.76	5.09	-38.51
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017819756	0	31	-1.0	-54.02	291.25	2.93	-51.09
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017819757	0	34	-1.0	-63.87	317.84	5.17	-58.70
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017819758	0	34	-1.0	-52.64	303.18	4.70	-47.94
CC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C2=CC=CC=C12	REAL300017819759	0	38	-1.0	-57.44	308.71	6.57	-50.87
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819760	0	33	-1.0	-59.73	308.30	5.48	-54.25
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017819761	0	36	-1.0	-58.77	314.31	5.05	-53.72
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CC=C21	REAL300017819762	0	43	-1.0	-48.38	354.92	5.28	-43.10
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017819763	0	29	-1.0	-42.96	281.56	4.51	-38.45
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])O1	REAL300017819764	0	35	-1.0	-62.79	325.41	0.28	-62.51
CN1C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300017819765	0	39	-1.0	-66.28	341.22	5.30	-60.98
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017819766	0	35	-1.0	-58.36	331.73	1.51	-56.85
CC1(C(=O)[O-])CCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017819767	0	33	-1.0	-55.61	314.99	5.77	-49.84
CC1(C(=O)[O-])CCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017819768	0	33	-1.0	-43.44	314.16	6.00	-37.44
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017819769	0	33	-1.0	-55.99	305.61	5.29	-50.70
COC(=O)C1CCCCN1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819770	0	40	-1.0	-61.19	319.61	4.68	-56.51
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300017819771	0	51	-1.0	-52.05	378.82	7.94	-44.11
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300017819772	0	32	-1.0	-54.56	296.21	4.62	-49.94
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819773	0	40	-1.0	-56.32	339.44	5.05	-51.27
COC(=O)C=CC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819774	0	39	-1.0	-59.06	343.05	6.58	-52.48
CCOC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=NN1	REAL300017819775	0	35	-1.0	-55.20	321.32	1.80	-53.40
COC1=CSC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1OC	REAL300017819776	0	34	-1.0	-59.60	313.07	2.01	-57.59
CC1(C(=O)[O-])CCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017819777	0	41	-1.0	-58.99	316.44	5.02	-53.97
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819778	0	40	-1.0	-42.76	338.91	6.00	-36.76
CC1(C(=O)[O-])CCN1C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017819779	0	40	-1.0	-57.94	322.54	10.21	-47.73
CC1(C(=O)[O-])CCN1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017819780	0	46	-1.0	-65.49	349.21	10.64	-54.85
CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC2(C)C(=O)[O-])CC1	REAL300017819781	0	47	-1.0	-53.49	356.43	6.63	-46.86
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCC1(C)C(=O)[O-]	REAL300017819782	0	48	-1.0	-62.91	367.17	7.96	-54.95
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819783	0	33	-1.0	-56.01	309.54	5.12	-50.89
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017819784	0	33	-1.0	-63.50	302.68	5.42	-58.08
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017819785	0	33	-1.0	-51.96	292.17	3.32	-48.64
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819786	0	35	-1.0	-53.11	302.30	3.89	-49.22
CN1C=CC2=CC(S(=O)(=O)N3CCC3(C)C(=O)[O-])=CC=C21	REAL300017819787	0	36	-1.0	-55.02	304.43	5.56	-49.46
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017819788	0	32	-1.0	-65.60	292.64	5.35	-60.25
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017819789	0	38	-1.0	-49.31	329.63	4.28	-45.03
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017819790	0	26	-1.0	-44.37	276.72	3.93	-40.44
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819791	0	42	-1.0	-60.75	349.64	6.39	-54.36
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017819792	0	46	-1.0	-50.59	369.21	5.71	-44.88
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017819793	0	32	-1.0	-58.85	315.50	5.47	-53.38
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017819794	0	34	-1.0	-59.60	309.06	5.35	-54.25
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819795	0	37	-1.0	-66.98	313.71	3.99	-62.99
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(I)C=CS1	REAL300017819796	0	26	-1.0	-56.12	278.62	4.02	-52.10
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017819797	0	40	-1.0	-58.21	341.22	6.72	-51.49
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819798	0	35	-1.0	-62.08	296.45	5.90	-56.18
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017819799	0	34	-1.0	-44.12	305.68	2.37	-41.75
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017819800	0	30	-1.0	-57.25	291.93	3.28	-53.97
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819801	0	31	-1.0	-51.68	277.16	3.10	-48.58
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819802	0	40	-1.0	-49.73	334.41	5.43	-44.30
CCN1C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C2CC2)=N1	REAL300017819803	0	39	-1.0	-55.88	336.05	4.53	-51.35
CC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300017819804	0	33	-1.0	-63.47	295.93	3.19	-60.28
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017819805	0	35	-1.0	-50.48	313.33	6.58	-43.90
CC(=O)OC1CCN(S(=O)(=O)N2CCC2(C)C(=O)[O-])C1	REAL300017819806	0	37	-1.0	-45.27	320.71	3.37	-41.90
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017819807	0	39	-1.0	-50.34	341.70	7.73	-42.61
CCC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1Br	REAL300017819808	0	35	-1.0	-54.62	315.51	6.57	-48.05
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819809	0	42	-1.0	-51.61	348.55	5.13	-46.48
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819810	0	43	-1.0	-44.51	356.27	4.91	-39.60
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017819811	0	35	-1.0	-47.28	316.13	6.79	-40.49
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819812	0	37	-1.0	-51.11	309.94	1.76	-49.35
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300017819813	0	35	-1.0	-57.48	321.30	4.52	-52.96
CC(=O)OCC1CCN(S(=O)(=O)N2CCC2(C)C(=O)[O-])CC1	REAL300017819814	0	43	-1.0	-61.36	351.61	5.44	-55.92
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819815	0	43	-1.0	-61.45	359.37	4.49	-56.96
CC1(C(=O)[O-])CCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017819816	0	39	-1.0	-61.47	319.13	2.36	-59.11
COC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C)=N1	REAL300017819817	0	35	-1.0	-50.06	291.81	1.21	-48.85
COC1=NC=C(C)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819818	0	35	-1.0	-52.60	301.02	1.82	-50.78
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017819819	0	44	-1.0	-58.24	358.27	5.06	-53.18
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819820	0	32	-1.0	-44.64	303.02	1.75	-42.89
COC1=NC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C	REAL300017819821	0	35	-1.0	-54.26	303.75	2.10	-52.16
CC(C)CN1C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=N1	REAL300017819822	0	38	-1.0	-54.37	314.82	3.91	-50.46
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819823	0	38	-1.0	-47.86	321.25	3.57	-44.29
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017819824	0	28	-1.0	-53.66	287.99	2.06	-51.60
CC1(C(=O)[O-])CCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017819825	0	33	-1.0	-43.20	323.79	6.32	-36.88
COC(=O)C1=NC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C	REAL300017819826	0	37	-1.0	-53.00	323.21	4.06	-48.94
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300017819827	0	32	-1.0	-69.09	302.44	6.17	-62.92
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017819828	0	36	-1.0	-53.09	314.99	5.15	-47.94
CC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=NN1C(C)C	REAL300017819829	0	38	-1.0	-58.72	325.14	3.74	-54.98
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017819830	0	36	-1.0	-51.04	310.60	6.00	-45.04
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017819831	0	31	-1.0	-55.22	283.82	3.71	-51.51
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1	REAL300017819832	0	43	-1.0	-50.46	359.65	7.38	-43.08
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017819833	0	36	-1.0	-60.34	317.88	6.92	-53.42
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017819834	0	33	-1.0	-56.09	312.03	4.38	-51.71
CC1(C(=O)[O-])CCN1C(=O)N1CC=C(Br)CC1	REAL300017819835	0	31	-1.0	-53.30	268.20	6.54	-46.76
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017819836	0	32	-1.0	-58.19	287.87	4.60	-53.59
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819837	0	37	-1.0	-49.28	318.25	-0.07	-49.35
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017819839	0	36	-1.0	-62.25	313.13	6.03	-56.22
CC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(Cl)=C1Cl	REAL300017819840	0	32	-1.0	-47.32	296.63	5.36	-41.96
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017819841	0	33	-1.0	-52.90	308.01	4.53	-48.37
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017819842	0	36	-1.0	-55.13	321.09	4.81	-50.32
COC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C(F)F)=C1	REAL300017819843	0	36	-1.0	-60.37	309.63	4.41	-55.96
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819844	0	35	-1.0	-49.80	318.70	2.16	-47.64
CC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C2=NC=CC=C12	REAL300017819845	0	37	-1.0	-61.07	311.79	5.61	-55.46
CC1(C(=O)[O-])CCN1C(=O)N1CC(OCC2=CC=CC=C2)C1	REAL300017819846	0	41	-1.0	-65.69	338.62	8.14	-57.55
CC(C)(C)OC(=O)NC1CN(C(=O)N2CCC2(C)C(=O)[O-])C1	REAL300017819847	0	44	-1.0	-64.42	348.49	4.96	-59.46
CC1(C(=O)[O-])CCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300017819848	0	32	-1.0	-47.01	284.10	3.76	-43.25
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819850	0	42	-1.0	-60.32	351.67	6.02	-54.30
CC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C(Cl)S1	REAL300017819851	0	29	-1.0	-58.50	277.67	4.76	-53.74
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017819852	0	36	-1.0	-56.18	333.93	4.88	-51.30
CN1C=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=N1	REAL300017819853	0	41	-1.0	-66.74	362.55	4.00	-62.74
CC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=C1	REAL300017819854	0	44	-1.0	-59.40	379.94	6.95	-52.45
CS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819855	0	34	-1.0	-57.97	300.91	3.09	-54.88
CN(C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819856	0	39	-1.0	-57.02	335.61	3.47	-53.55
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C=CC3=CC=CC=C3)C2)=N1	REAL300017819857	0	45	-1.0	-60.89	390.41	7.45	-53.44
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819858	0	47	-1.0	-65.96	393.73	5.31	-60.65
CC1=NNC(C)=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819859	0	44	-1.0	-59.30	373.56	4.28	-55.02
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CC3=CC=CC=C3)C2)=N1	REAL300017819860	0	44	-1.0	-59.84	382.29	7.01	-52.83
COC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=C1	REAL300017819861	0	45	-1.0	-59.63	387.98	5.56	-54.07
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C3=CC=C(F)C=C3)C2)=N1	REAL300017819862	0	41	-1.0	-59.40	364.93	6.34	-53.06
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C3=CC=CC(F)=C3)C2)=N1	REAL300017819863	0	41	-1.0	-64.60	364.46	6.37	-58.23
CC1=CC=CC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300017819864	0	44	-1.0	-65.15	379.46	6.97	-58.18
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C3=CC=CC=C3F)C2)=N1	REAL300017819865	0	41	-1.0	-58.75	361.90	6.44	-52.31
CC1=CC=C(C)C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300017819866	0	47	-1.0	-58.72	387.30	7.53	-51.19
CC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=C1C	REAL300017819867	0	47	-1.0	-65.43	396.44	7.49	-57.94
C=CCCCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819868	0	44	-1.0	-57.80	378.22	6.10	-51.70
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C3=C(F)C=CS3)C2)=N1	REAL300017819869	0	38	-1.0	-67.26	354.67	5.42	-61.84
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CCC3CCOC3)C2)=N1	REAL300017819870	0	48	-1.0	-70.38	397.36	4.79	-65.59
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CC3CC(F)(F)C3)C2)=N1	REAL300017819871	0	44	-1.0	-58.51	383.83	6.23	-52.28
CC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C(C)=C1	REAL300017819872	0	47	-1.0	-58.62	387.25	7.52	-51.10
COC1=CC=CC=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819873	0	45	-1.0	-59.89	383.99	6.32	-53.57
N#CC1=CC=CC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300017819874	0	42	-1.0	-66.87	378.89	6.69	-60.18
N#CC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=C1	REAL300017819875	0	42	-1.0	-61.01	379.31	6.67	-54.34
N#CC1=CC=CC=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819876	0	42	-1.0	-60.27	368.86	6.49	-53.78
CC1=NOC(C)=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819877	0	43	-1.0	-57.88	371.01	5.41	-52.47
CCC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=C1	REAL300017819878	0	47	-1.0	-59.22	401.39	7.71	-51.51
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C3=CC=CC=C3)C2)=N1	REAL300017819879	0	41	-1.0	-59.22	358.49	6.27	-52.95
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C3=CC=CS3)C2)=N1	REAL300017819880	0	38	-1.0	-57.84	351.38	5.52	-52.32
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CCC3CCCC3)C2)=N1	REAL300017819881	0	50	-1.0	-57.53	408.51	7.40	-50.13
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C3=CNN=C3Cl)C2)=N1	REAL300017819882	0	38	-1.0	-59.78	354.38	3.19	-56.59
CC1=CSC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300017819883	0	41	-1.0	-57.51	373.02	6.18	-51.33
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CCOCC3CC3)C2)=N1	REAL300017819884	0	48	-1.0	-59.96	409.58	5.59	-54.37
COC1=CC=CC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300017819885	0	45	-1.0	-66.11	387.55	5.60	-60.51
COC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=N1	REAL300017819886	0	44	-1.0	-60.67	385.67	2.96	-57.71
CC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)O1	REAL300017819887	0	41	-1.0	-58.82	364.04	5.33	-53.49
C=C(C)CS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819888	0	41	-1.0	-67.83	356.24	5.20	-62.63
CCCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819889	0	40	-1.0	-57.40	343.88	4.76	-52.64
CC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)S1	REAL300017819890	0	41	-1.0	-57.83	373.26	6.32	-51.51
CCCCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819891	0	43	-1.0	-57.43	365.41	5.54	-51.89
CCN(CC)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819892	0	45	-1.0	-65.31	375.22	5.15	-60.16
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)N3CCCCCC3)C2)=N1	REAL300017819893	0	49	-1.0	-56.66	391.37	6.37	-50.29
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)N3CCOCC3)C2)=N1	REAL300017819894	0	44	-1.0	-58.30	369.21	3.27	-55.03
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CC3=CC=C(F)C=C3)C2)=N1	REAL300017819895	0	44	-1.0	-58.88	388.71	7.08	-51.80
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)N3CCCCC3)C2)=N1	REAL300017819896	0	46	-1.0	-57.05	378.12	5.69	-51.36
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)N3CCCC3)C2)=N1	REAL300017819897	0	43	-1.0	-57.34	361.92	4.62	-52.72
CC1=CC(F)=CC=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819898	0	44	-1.0	-57.82	372.23	6.92	-50.90
CC1CCN(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300017819899	0	49	-1.0	-57.54	398.38	6.33	-51.21
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)N3CC4CCC3C4)C2)=N1	REAL300017819900	0	47	-1.0	-57.06	380.79	5.65	-51.41
CC(C)N1C=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=N1	REAL300017819901	0	47	-1.0	-64.91	403.25	5.37	-59.54
CC(C)N1C=NC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300017819902	0	47	-1.0	-63.45	404.87	6.91	-56.54
CC(C)C1=NC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=CN1	REAL300017819903	0	47	-1.0	-66.30	401.96	4.71	-61.59
CC1(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300017819904	0	41	-1.0	-67.41	353.37	5.46	-61.95
CC1=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C(N)=NO1	REAL300017819905	0	42	-1.0	-64.14	364.48	3.71	-60.43
CC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=N1	REAL300017819906	0	43	-1.0	-59.61	375.10	5.10	-54.51
CC(C)(C)CS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819907	0	46	-1.0	-56.82	373.78	6.18	-50.64
CC1CC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CCO1	REAL300017819908	0	48	-1.0	-69.17	394.51	5.03	-64.14
CCOCC(C)CS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819909	0	50	-1.0	-57.88	414.40	5.58	-52.30
CC(CC#N)N(C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819910	0	46	-1.0	-62.75	392.18	5.41	-57.34
CC(C#N)CN(C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819911	0	46	-1.0	-62.68	394.63	5.44	-57.24
N#CCC1(CS(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300017819912	0	45	-1.0	-71.54	388.55	6.30	-65.24
CN1N=NC=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819913	0	40	-1.0	-64.90	351.43	2.75	-62.15
CC(C(=O)N(C)C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819914	0	47	-1.0	-80.01	393.76	4.26	-75.75
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CCC3CCC3)C2)=N1	REAL300017819915	0	47	-1.0	-57.67	392.08	6.85	-50.82
CC(C)(C)CCCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819916	0	52	-1.0	-57.39	420.64	7.22	-50.17
COCC1(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300017819917	0	45	-1.0	-57.06	381.38	5.32	-51.74
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819918	0	44	-1.0	-59.47	372.29	6.94	-52.53
CC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C(F)=C1	REAL300017819919	0	44	-1.0	-65.33	381.90	6.89	-58.44
CC1=CC=CC=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819920	0	44	-1.0	-58.71	365.89	6.87	-51.84
CC1=NC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=CN1C	REAL300017819921	0	44	-1.0	-63.45	382.96	5.41	-58.04
CC1=CC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=CC=C1F	REAL300017819922	0	44	-1.0	-63.62	384.73	6.98	-56.64
CC1=CC=C(F)C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300017819923	0	44	-1.0	-58.34	383.34	7.11	-51.23
CC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=C1F	REAL300017819924	0	44	-1.0	-64.46	384.74	6.99	-57.47
CN1C=NC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300017819925	0	41	-1.0	-64.89	363.45	5.61	-59.28
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C3=CC=CN=C3)C2)=N1	REAL300017819926	0	40	-1.0	-62.90	353.48	4.49	-58.41
N#CCCCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819927	0	41	-1.0	-62.04	364.76	5.27	-56.77
CC1CCCCN1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819928	0	49	-1.0	-56.56	385.00	6.01	-50.55
CC(C)N(C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819929	0	45	-1.0	-56.39	370.20	4.73	-51.66
CCCN(CCC)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819930	0	51	-1.0	-65.16	419.46	6.72	-58.44
CN(CCC#N)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819931	0	43	-1.0	-59.66	378.11	4.88	-54.78
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CCC3=CC=CC=C3)C2)=N1	REAL300017819932	0	47	-1.0	-59.24	403.79	7.78	-51.46
CCCCN(C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819933	0	48	-1.0	-56.81	400.25	5.92	-50.89
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C3CC3)C2)=N1	REAL300017819934	0	38	-1.0	-57.16	331.78	4.85	-52.31
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819935	0	44	-1.0	-57.96	371.15	6.89	-51.07
COCCC(C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819936	0	47	-1.0	-69.71	390.06	4.71	-65.00
CCC(C)CS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819937	0	46	-1.0	-57.17	377.86	6.15	-51.02
CCN(CC1CC1)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819938	0	49	-1.0	-57.00	410.25	7.01	-49.99
CCCN1C=NC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300017819939	0	47	-1.0	-67.10	405.49	7.02	-60.08
N#CC1=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=CS1	REAL300017819940	0	39	-1.0	-58.71	364.70	5.68	-53.03
CCC1(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300017819941	0	44	-1.0	-55.97	352.37	6.14	-49.83
CC1=NC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)N1C	REAL300017819942	0	44	-1.0	-61.15	378.61	5.56	-55.59
CC(C)(C)CCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819943	0	49	-1.0	-67.74	398.64	6.47	-61.27
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CC3CCOCC3)C2)=N1	REAL300017819944	0	48	-1.0	-68.48	391.92	5.01	-63.47
CC1CCN(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C1	REAL300017819945	0	46	-1.0	-56.33	384.63	5.42	-50.91
COC(=O)C(C)CS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819946	0	46	-1.0	-62.64	393.35	5.54	-57.10
CCC1=CC=CC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300017819947	0	47	-1.0	-64.97	400.91	7.72	-57.25
CC(C)CN(C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819948	0	48	-1.0	-56.65	392.88	5.62	-51.03
CCN(C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819949	0	42	-1.0	-56.95	357.23	4.37	-52.58
CN(C1CCCC1)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819950	0	49	-1.0	-56.52	395.59	6.12	-50.40
CCCN(C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819951	0	45	-1.0	-56.83	378.75	5.14	-51.69
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CC3=CC=CC=C3F)C2)=N1	REAL300017819952	0	44	-1.0	-63.02	387.63	7.05	-55.97
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CC3CCCC3)C2)=N1	REAL300017819953	0	47	-1.0	-57.16	385.63	6.72	-50.44
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CC3CCCCC3)C2)=N1	REAL300017819954	0	50	-1.0	-57.13	401.27	7.40	-49.73
COC(=O)CCCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819955	0	46	-1.0	-61.46	399.37	5.57	-55.89
CC1=NNC=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819956	0	41	-1.0	-60.46	355.46	3.40	-57.06
CN(C1CC1)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819957	0	43	-1.0	-57.61	364.57	5.14	-52.47
CCOC(=O)CCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819958	0	46	-1.0	-63.34	399.71	5.72	-57.62
CC1=CC=CC(CS(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300017819959	0	47	-1.0	-59.99	403.70	7.68	-52.31
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CC3=CC=CC(F)=C3)C2)=N1	REAL300017819960	0	44	-1.0	-59.17	388.70	7.09	-52.08
CC1=CC=CC=C1CS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819961	0	47	-1.0	-59.83	396.61	7.66	-52.17
COCCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819962	0	41	-1.0	-59.57	356.06	3.05	-56.52
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C3=CN=CC(F)=C3)C2)=N1	REAL300017819963	0	40	-1.0	-63.32	359.46	4.58	-58.74
CC(C(F)(F)F)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819964	0	40	-1.0	-68.73	357.22	5.17	-63.56
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CCC3CCCO3)C2)=N1	REAL300017819965	0	48	-1.0	-59.52	400.37	5.14	-54.38
N#CC1(CS(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)CC1	REAL300017819966	0	42	-1.0	-79.81	370.43	5.69	-74.12
CCC1=CC=CC=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819967	0	47	-1.0	-59.16	392.92	8.39	-50.77
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C3=CC=CO3)C2)=N1	REAL300017819968	0	38	-1.0	-65.64	340.69	4.27	-61.37
CCOCCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819969	0	44	-1.0	-59.65	377.91	4.01	-55.64
CS(=O)(=O)CCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819970	0	43	-1.0	-71.10	386.05	1.55	-69.55
CCN1C=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)N=C1C	REAL300017819971	0	47	-1.0	-62.81	405.04	6.31	-56.50
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CC3CCCO3)C2)=N1	REAL300017819972	0	45	-1.0	-71.83	378.05	4.48	-67.35
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CC3CCCCO3)C2)=N1	REAL300017819973	0	48	-1.0	-61.74	396.93	5.75	-55.99
CC(C)CS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819974	0	43	-1.0	-57.05	359.61	5.51	-51.54
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CC3CC3)C2)=N1	REAL300017819975	0	41	-1.0	-59.89	354.87	5.78	-54.11
N#CC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=N1	REAL300017819976	0	41	-1.0	-66.41	373.95	4.81	-61.60
CCN1C=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)C=N1	REAL300017819977	0	44	-1.0	-66.58	384.08	4.85	-61.73
CC(C)CCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819978	0	46	-1.0	-57.38	382.95	6.06	-51.32
CC(C1CC1)N(C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819979	0	49	-1.0	-56.69	399.23	6.22	-50.47
CN1N=CC=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819980	0	41	-1.0	-64.13	357.25	3.98	-60.15
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CC3CCOC3)C2)=N1	REAL300017819981	0	45	-1.0	-60.92	375.53	4.45	-56.47
CCCCCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819982	0	46	-1.0	-57.42	386.88	6.32	-51.10
COCCN(C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819983	0	46	-1.0	-58.49	387.79	3.60	-54.89
CN(CC1CC1)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819984	0	46	-1.0	-56.86	388.91	5.93	-50.93
CCC(CC)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819985	0	46	-1.0	-55.58	355.55	6.10	-49.48
CC1=CC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C(C)O1	REAL300017819986	0	44	-1.0	-60.25	377.70	5.91	-54.34
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C3=CN=C4CCCN34)C2)=N1	REAL300017819987	0	45	-1.0	-67.53	386.03	5.73	-61.80
CC1=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)SC=C1	REAL300017819988	0	41	-1.0	-57.49	364.75	6.23	-51.26
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)C3CCOC3)C2)=N1	REAL300017819989	0	42	-1.0	-58.50	351.82	3.23	-55.27
C=CCCS(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819990	0	41	-1.0	-57.56	356.70	5.32	-52.24
CC(C)CC(C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819991	0	49	-1.0	-57.30	392.48	6.39	-50.91
N#CC1=CC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)S1	REAL300017819992	0	39	-1.0	-58.92	371.95	6.07	-52.85
COC1=CN=CC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300017819993	0	44	-1.0	-65.18	382.63	3.78	-61.40
COCC(C)S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819994	0	44	-1.0	-66.50	373.35	3.91	-62.59
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CCCF)C2)=N1	REAL300017819995	0	40	-1.0	-58.27	350.50	4.90	-53.37
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)CC3CCC3)C2)=N1	REAL300017819996	0	44	-1.0	-57.33	370.60	6.08	-51.25
O=C([O-])C1=CSC(CC2CCCN(S(=O)(=O)NC3CC3)C2)=N1	REAL300017819997	0	40	-1.0	-57.63	349.98	3.56	-54.07
CC1=CC=CC(F)=C1S(=O)(=O)N1CCCC(CC2=NC(C(=O)[O-])=CS2)C1	REAL300017819998	0	44	-1.0	-57.38	374.57	7.22	-50.16
CC1=NC=C(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)S1	REAL300017819999	0	40	-1.0	-58.54	367.97	4.35	-54.19
CC1=CC=CC(S(=O)(=O)N2CCCC(CC3=NC(C(=O)[O-])=CS3)C2)=C1F	REAL300017820000	0	44	-1.0	-58.68	382.25	7.10	-51.58
CC1=CC=C(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1F	REAL300017825871	0	38	-1.0	-49.42	328.58	6.23	-43.19
N#CCC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300017825872	0	36	-1.0	-52.10	320.33	5.97	-46.13
COC(=O)C1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC(F)=C1F	REAL300017825873	0	38	-1.0	-47.61	343.70	5.53	-42.08
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C1	REAL300017825874	0	44	-1.0	-49.73	363.07	6.32	-43.41
O=C([O-])C[C@H]1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300017825875	0	50	-1.0	-44.94	365.56	6.47	-38.47
CC1=NC2=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=CC=C2C=C1	REAL300017825876	0	40	-1.0	-54.38	334.44	6.38	-48.00
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300017825877	0	40	-1.0	-53.98	343.01	6.71	-47.27
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300017825878	0	43	-1.0	-48.75	356.03	3.39	-45.36
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825879	0	46	-1.0	-50.77	395.17	6.00	-44.77
CCCN1C=NC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825880	0	38	-1.0	-51.26	325.55	5.57	-45.69
N#CC1=CC(F)=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Br	REAL300017825881	0	33	-1.0	-45.29	320.17	5.68	-39.61
N#CC1=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=CS1	REAL300017825882	0	30	-1.0	-49.49	281.64	4.00	-45.49
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2CCC(F)CC2)C1	REAL300017825883	0	41	-1.0	-49.19	326.77	6.05	-43.14
CC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1Cl	REAL300017825884	0	35	-1.0	-45.03	313.51	5.90	-39.13
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300017825885	0	38	-1.0	-53.32	325.89	5.82	-47.50
CC1=CSC(C2=CC=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=C2)=N1	REAL300017825886	0	41	-1.0	-47.90	364.33	6.25	-41.65
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1F	REAL300017825887	0	38	-1.0	-49.09	348.91	5.86	-43.23
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825888	0	41	-1.0	-49.06	354.29	6.01	-43.05
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825889	0	38	-1.0	-47.25	336.42	6.65	-40.60
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300017825890	0	35	-1.0	-48.58	321.11	6.06	-42.52
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300017825891	0	32	-1.0	-44.23	316.08	5.96	-38.27
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825892	0	39	-1.0	-54.57	333.73	2.27	-52.30
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300017825893	0	57	-1.0	-46.16	458.40	9.73	-36.43
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300017825894	0	47	-1.0	-51.95	388.26	7.18	-44.77
CCC1CCN(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)CC1	REAL300017825895	0	43	-1.0	-46.85	334.97	5.30	-41.55
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300017825896	0	38	-1.0	-49.46	329.37	6.41	-43.05
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300017825897	0	38	-1.0	-49.98	328.42	6.37	-43.61
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300017825898	0	38	-1.0	-49.11	336.71	6.76	-42.35
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825899	0	36	-1.0	-45.97	328.90	5.39	-40.58
COC1=CC2=C(C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1)C(=O)NCCC2	REAL300017825900	0	47	-1.0	-55.34	377.92	3.80	-51.54
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)S2)C1	REAL300017825901	0	43	-1.0	-50.62	369.30	5.35	-45.27
CC1=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300017825902	0	39	-1.0	-47.95	350.89	7.36	-40.59
COC1CCN(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)CC1	REAL300017825903	0	41	-1.0	-48.29	328.36	3.05	-45.24
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300017825904	0	35	-1.0	-48.16	324.35	6.18	-41.98
CCC(C)OC1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825905	0	45	-1.0	-46.46	368.10	6.47	-39.99
CC(CC(F)(F)F)CS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825906	0	37	-1.0	-50.18	312.76	5.04	-45.14
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C1	REAL300017825907	0	39	-1.0	-52.04	345.83	6.68	-45.36
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)=C2)=N1	REAL300017825908	0	44	-1.0	-50.31	363.34	4.43	-45.88
COC1=CC(F)=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825909	0	36	-1.0	-46.38	307.93	4.75	-41.63
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)O1	REAL300017825910	0	38	-1.0	-47.93	335.21	4.21	-43.72
CCC1=NC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CN1CC1CC1	REAL300017825911	0	45	-1.0	-52.97	376.68	6.80	-46.17
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=C2C1	REAL300017825912	0	43	-1.0	-53.87	361.82	5.33	-48.54
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300017825913	0	35	-1.0	-47.41	317.84	4.35	-43.06
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300017825914	0	35	-1.0	-54.41	327.14	4.61	-49.80
CCCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C(C)C	REAL300017825915	0	51	-1.0	-46.24	409.52	7.85	-38.39
CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300017825916	0	40	-1.0	-48.48	334.00	6.87	-41.61
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825917	0	39	-1.0	-46.17	324.56	4.73	-41.44
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300017825918	0	45	-1.0	-46.50	378.40	7.12	-39.38
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300017825919	0	46	-1.0	-48.86	395.52	8.16	-40.70
COC(CS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300017825920	0	42	-1.0	-48.16	361.81	5.55	-42.61
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C1	REAL300017825921	0	44	-1.0	-49.98	362.28	6.25	-43.73
COC(=O)NC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Cl	REAL300017825922	0	40	-1.0	-47.26	359.04	3.64	-43.62
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)C=CC=C12	REAL300017825923	0	44	-1.0	-48.60	361.83	7.29	-41.31
COC(=O)NC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C	REAL300017825924	0	43	-1.0	-50.68	363.75	3.98	-46.70
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2(C(F)F)CCCC2)C1	REAL300017825925	0	41	-1.0	-46.90	325.29	6.18	-40.72
CCOC1(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)CCOCC1	REAL300017825926	0	46	-1.0	-49.61	355.07	3.58	-46.03
CCOC(CS(=O)(=O)N1CC[C@H](CC(=O)[O-])C1)C1CC1	REAL300017825927	0	42	-1.0	-47.30	343.38	5.33	-41.97
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1F	REAL300017825928	0	38	-1.0	-49.15	338.58	5.41	-43.74
CC(=O)N1CCC2=CC(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)=C(Cl)C=C21	REAL300017825929	0	43	-1.0	-56.75	363.78	6.18	-50.57
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825930	0	35	-1.0	-45.46	321.00	3.38	-42.08
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300017825931	0	43	-1.0	-48.28	378.66	8.90	-39.38
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825932	0	35	-1.0	-44.09	312.52	5.98	-38.11
CC1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1Br	REAL300017825933	0	35	-1.0	-48.08	304.89	5.82	-42.26
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825934	0	38	-1.0	-52.35	337.72	5.97	-46.38
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300017825935	0	40	-1.0	-48.55	336.83	2.58	-45.97
COC1=CC(Br)=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825936	0	36	-1.0	-46.40	328.84	4.76	-41.64
COC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017825937	0	38	-1.0	-48.42	333.57	5.55	-42.87
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825938	0	38	-1.0	-45.56	324.56	6.30	-39.26
COCCN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=N1	REAL300017825939	0	39	-1.0	-48.67	338.62	2.46	-46.21
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825940	0	45	-1.0	-48.34	368.90	6.34	-42.00
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300017825941	0	39	-1.0	-51.11	342.42	5.34	-45.77
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1C	REAL300017825942	0	59	-1.0	-48.29	465.25	9.37	-38.92
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300017825943	0	40	-1.0	-53.13	351.18	7.01	-46.12
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(F)C(Br)=C2)C1	REAL300017825944	0	32	-1.0	-44.96	305.06	5.47	-39.49
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2=CC=C(F)C=C2F)C1	REAL300017825945	0	35	-1.0	-48.11	314.39	5.66	-42.45
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300017825946	0	39	-1.0	-61.31	342.40	2.71	-58.60
CCN1C(=O)OC2=CC(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)=CC=C21	REAL300017825947	0	41	-1.0	-51.59	353.72	5.80	-45.79
CC1=C(Br)C=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825948	0	35	-1.0	-45.65	303.81	5.83	-39.82
COCC1=CC=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825949	0	39	-1.0	-46.21	326.81	5.05	-41.16
COC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1Br	REAL300017825950	0	36	-1.0	-45.85	327.96	4.77	-41.08
CS(=O)(=O)C1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C(Cl)S1	REAL300017825951	0	35	-1.0	-52.09	339.79	1.67	-50.42
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300017825952	0	35	-1.0	-52.16	321.76	3.91	-48.25
CC1(C)CC2=CC(S(=O)(=O)N3CC[C@H](CC(=O)[O-])C3)=CC=C2O1	REAL300017825953	0	43	-1.0	-47.59	355.20	6.07	-41.52
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1F	REAL300017825954	0	40	-1.0	-51.63	357.00	1.58	-50.05
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1F	REAL300017825955	0	43	-1.0	-50.76	378.46	2.47	-48.29
CCC(=O)NCC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1OC	REAL300017825956	0	49	-1.0	-52.26	408.96	3.96	-48.30
CCC1=CC=C(CS(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300017825957	0	41	-1.0	-47.79	345.55	7.00	-40.79
COC1=CC=C(Br)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825958	0	36	-1.0	-48.10	316.54	4.54	-43.56
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300017825959	0	47	-1.0	-49.88	391.80	5.24	-44.64
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825960	0	41	-1.0	-54.31	360.22	3.21	-51.10
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C1	REAL300017825961	0	34	-1.0	-46.32	326.07	4.74	-41.58
CC(=O)C1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1Br	REAL300017825962	0	37	-1.0	-47.34	334.83	5.82	-41.52
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825963	0	37	-1.0	-53.03	324.88	5.55	-47.48
N#CC1=CC(Br)=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825964	0	33	-1.0	-46.40	320.18	5.84	-40.56
CCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Br	REAL300017825965	0	39	-1.0	-46.69	349.81	5.70	-40.99
O=C([O-])C[C@H]1CCN(S(=O)(=O)CCNC(=O)OCC2=CC=CC=C2)C1	REAL300017825966	0	46	-1.0	-53.76	394.96	4.26	-49.50
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2=C(F)C=CC=C2F)C1	REAL300017825967	0	35	-1.0	-52.74	312.40	5.63	-47.11
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825968	0	45	-1.0	-46.99	385.47	6.53	-40.46
CC1(C)CN(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)CCO1	REAL300017825969	0	41	-1.0	-45.20	322.29	2.91	-42.29
COC1=C(C)C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C	REAL300017825970	0	42	-1.0	-47.09	352.45	5.71	-41.38
CC(C)CCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300017825971	0	48	-1.0	-46.35	389.97	7.13	-39.22
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300017825972	0	46	-1.0	-46.31	372.11	6.98	-39.33
CC(C)COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300017825973	0	45	-1.0	-46.34	371.01	6.52	-39.82
CCCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300017825974	0	42	-1.0	-46.37	350.91	5.82	-40.55
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Cl	REAL300017825975	0	36	-1.0	-47.06	323.57	4.66	-42.40
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300017825976	0	36	-1.0	-47.57	333.32	4.93	-42.64
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C	REAL300017825977	0	39	-1.0	-47.01	327.63	4.84	-42.17
CC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1OC(C)C	REAL300017825978	0	45	-1.0	-46.50	367.39	6.39	-40.11
COC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C)=C1	REAL300017825979	0	39	-1.0	-46.51	315.12	4.62	-41.89
COCCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300017825980	0	43	-1.0	-48.66	363.03	4.30	-44.36
COCCOC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C	REAL300017825981	0	46	-1.0	-48.60	383.11	5.04	-43.56
O=C([O-])C[C@H]1CCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300017825982	0	35	-1.0	-49.54	307.97	5.59	-43.95
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825983	0	43	-1.0	-54.54	368.80	4.50	-50.04
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300017825984	0	47	-1.0	-50.73	384.17	4.31	-46.42
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825985	0	42	-1.0	-55.37	350.20	4.69	-50.68
CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(Br)=C1	REAL300017825986	0	35	-1.0	-47.50	308.04	5.90	-41.60
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825987	0	38	-1.0	-54.18	345.20	2.68	-51.50
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825988	0	38	-1.0	-53.33	339.64	7.04	-46.29
N#CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1Cl	REAL300017825989	0	33	-1.0	-46.69	314.26	5.61	-41.08
CC1=CC(Br)=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825990	0	35	-1.0	-44.27	306.96	5.93	-38.34
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1C	REAL300017825991	0	40	-1.0	-53.15	319.17	7.30	-45.85
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825992	0	38	-1.0	-49.57	339.20	5.81	-43.76
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825993	0	41	-1.0	-54.58	346.37	2.84	-51.74
N#CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300017825994	0	36	-1.0	-47.25	327.27	6.70	-40.55
N#CC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1Cl	REAL300017825995	0	33	-1.0	-47.45	314.28	5.61	-41.84
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300017825996	0	48	-1.0	-49.13	390.74	6.56	-42.57
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300017825997	0	44	-1.0	-51.27	387.08	2.65	-48.62
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1	REAL300017825998	0	40	-1.0	-51.63	354.68	0.97	-50.66
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)S1	REAL300017825999	0	42	-1.0	-53.41	374.17	3.74	-49.67
COC(=O)C1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)O1	REAL300017826000	0	35	-1.0	-47.57	317.60	3.61	-43.96
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017834663	0	35	-1.0	-47.85	316.39	5.24	-42.61
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017834664	0	35	-1.0	-44.90	339.69	5.88	-39.02
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017834665	0	35	-1.0	-50.02	318.16	5.23	-44.79
CC1=CC(Br)=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834666	0	35	-1.0	-47.89	326.93	5.65	-42.24
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834667	0	43	-1.0	-74.13	329.59	3.05	-71.08
CSC1=CC=CC=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834668	0	36	-1.0	-50.65	308.46	4.55	-46.10
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017834669	0	43	-1.0	-65.54	359.23	4.49	-61.05
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017834670	0	44	-1.0	-73.22	340.73	4.16	-69.06
COC1=C(F)C=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1[N+](=O)[O-]	REAL300017834671	0	38	-1.0	-45.66	347.75	5.20	-40.46
COC(=O)NC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1[N+](=O)[O-]	REAL300017834672	0	42	-1.0	-50.92	372.39	3.82	-47.10
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017834673	0	43	-1.0	-57.84	383.18	6.19	-51.65
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C(OC)=C1	REAL300017834674	0	42	-1.0	-50.57	359.48	4.85	-45.72
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834675	0	35	-1.0	-48.77	322.84	6.06	-42.71
CC1=CC(C)=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1[N+](=O)[O-]	REAL300017834676	0	40	-1.0	-54.36	340.02	6.56	-47.80
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017834677	0	40	-1.0	-55.38	348.91	5.39	-49.99
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017834678	0	38	-1.0	-65.35	325.13	0.93	-64.42
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017834679	0	42	-1.0	-51.23	364.52	5.04	-46.19
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017834680	0	37	-1.0	-54.56	333.42	4.33	-50.23
COC1=CC(F)=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C(F)=C1	REAL300017834681	0	36	-1.0	-49.72	322.19	3.94	-45.78
CCOC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C(C)=C1	REAL300017834682	0	42	-1.0	-54.03	349.67	5.35	-48.68
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834683	0	40	-1.0	-53.46	361.77	0.31	-53.15
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834684	0	41	-1.0	-60.72	353.07	6.28	-54.44
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017834685	0	36	-1.0	-55.29	311.45	4.58	-50.71
CSC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300017834686	0	36	-1.0	-48.92	324.46	5.15	-43.77
CCCOC(=O)C1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300017834687	0	44	-1.0	-49.31	383.29	6.53	-42.78
CCC(=O)NC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300017834688	0	42	-1.0	-56.37	360.19	3.88	-52.49
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017834689	0	38	-1.0	-48.25	346.71	6.06	-42.19
CCN(CC1=CC=CC=C1)S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834690	0	43	-1.0	-48.41	360.89	6.22	-42.19
CCN1C=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)N=C1C	REAL300017834691	0	38	-1.0	-55.99	327.82	4.31	-51.68
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017834692	0	31	-1.0	-48.57	294.91	3.10	-45.47
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017834693	0	38	-1.0	-57.19	313.70	3.98	-53.21
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC2=NC=CC=C12)C(=O)[O-]	REAL300017834694	0	37	-1.0	-54.23	317.30	4.95	-49.28
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017834695	0	44	-1.0	-54.92	374.86	6.47	-48.45
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017834696	0	32	-1.0	-53.73	285.73	4.29	-49.44
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017834697	0	32	-1.0	-47.72	304.76	4.56	-43.16
CC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C(F)(F)F	REAL300017834698	0	38	-1.0	-46.62	338.70	5.65	-40.97
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017834699	0	38	-1.0	-51.12	354.39	5.29	-45.83
CC1=NN(C)C2=NC=C(S(=O)(=O)NC[C@@]3(C(=O)[O-])C[C@H]3C)C=C12	REAL300017834700	0	40	-1.0	-50.64	350.54	4.09	-46.55
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017834701	0	35	-1.0	-50.09	335.63	5.50	-44.59
CC1=NOC2=NC=C(S(=O)(=O)NC[C@@]3(C(=O)[O-])C[C@H]3C)C=C12	REAL300017834702	0	36	-1.0	-52.35	320.87	1.45	-50.90
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017834703	0	41	-1.0	-50.02	366.70	6.99	-43.03
COCC1=CC=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834704	0	39	-1.0	-49.28	339.28	4.09	-45.19
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017834705	0	34	-1.0	-54.63	328.87	5.62	-49.01
COC(=O)C1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C(C(=O)OC)S1	REAL300017834706	0	41	-1.0	-52.42	378.26	5.56	-46.86
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834707	0	38	-1.0	-60.36	333.97	5.80	-54.56
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017834708	0	35	-1.0	-49.25	322.50	5.29	-43.96
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017834709	0	44	-1.0	-60.45	381.74	2.65	-57.80
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017834710	0	39	-1.0	-47.66	353.98	4.87	-42.79
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017834711	0	32	-1.0	-47.07	308.14	4.86	-42.21
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017834712	0	40	-1.0	-51.72	350.77	1.89	-49.83
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1F	REAL300017834745	0	41	-1.0	-50.73	366.37	5.74	-44.99
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017834746	0	40	-1.0	-57.83	349.29	4.86	-52.97
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017834747	0	32	-1.0	-47.45	293.25	4.29	-43.16
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834748	0	51	-1.0	-66.08	414.78	7.13	-58.95
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017834749	0	35	-1.0	-49.61	334.85	5.95	-43.66
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017834750	0	33	-1.0	-51.20	303.60	4.92	-46.28
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1Cl	REAL300017834751	0	39	-1.0	-52.67	351.83	3.44	-49.23
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017834752	0	40	-1.0	-49.72	342.22	4.76	-44.96
COC1=CC(Cl)=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1Cl	REAL300017834753	0	36	-1.0	-47.14	332.54	4.07	-43.07
CCC1=CC=CC(CC)=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834754	0	44	-1.0	-52.28	338.29	7.65	-44.63
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834755	0	44	-1.0	-58.66	368.88	3.49	-55.17
COC(=O)C1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CS1	REAL300017834756	0	35	-1.0	-49.30	330.14	4.01	-45.29
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834757	0	41	-1.0	-60.19	366.64	6.74	-53.45
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017834758	0	43	-1.0	-48.60	391.15	7.53	-41.07
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017834759	0	38	-1.0	-52.97	348.00	5.24	-47.73
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017834760	0	38	-1.0	-50.77	364.72	5.75	-45.02
COC(=O)C1=CC=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1C	REAL300017834761	0	41	-1.0	-55.95	344.84	5.89	-50.06
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017834762	0	34	-1.0	-47.48	330.62	5.77	-41.71
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834763	0	36	-1.0	-49.23	336.57	5.03	-44.20
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834764	0	44	-1.0	-51.95	360.93	4.87	-47.08
CCOC(=O)N1CCC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)CC1	REAL300017834765	0	46	-1.0	-63.27	379.89	4.15	-59.12
CC1=NC(C2=CC=C(S(=O)(=O)NC[C@@]3(C(=O)[O-])C[C@H]3C)C=C2)=CO1	REAL300017834766	0	41	-1.0	-54.67	361.55	3.21	-51.46
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017834767	0	31	-1.0	-46.76	308.19	3.55	-43.21
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017834768	0	35	-1.0	-52.82	310.89	4.86	-47.96
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300017834769	0	35	-1.0	-47.85	310.31	2.78	-45.07
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017834770	0	40	-1.0	-49.54	338.85	4.77	-44.77
COC1=CC=C(Cl)C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834771	0	36	-1.0	-50.25	316.32	3.54	-46.71
COC(=O)C1=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C2=CC=CC=C2S1	REAL300017834772	0	41	-1.0	-55.48	362.40	7.31	-48.17
COC(=O)CC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300017834773	0	41	-1.0	-53.25	362.11	5.59	-47.66
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017834774	0	39	-1.0	-56.20	320.19	6.02	-50.18
CC1=CC=C(N2C=C(S(=O)(=O)NC[C@@]3(C(=O)[O-])C[C@H]3C)C=N2)C=C1	REAL300017834775	0	42	-1.0	-51.44	366.19	6.16	-45.28
C[C@@H]1C[C@@]1(CNS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017834776	0	50	-1.0	-58.95	421.52	6.61	-52.34
C[C@@H]1C[C@@]1(CNS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017834777	0	50	-1.0	-59.83	416.66	6.05	-53.78
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017834778	0	47	-1.0	-57.75	402.78	5.70	-52.05
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)S1	REAL300017834779	0	34	-1.0	-50.18	323.26	4.50	-45.68
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC[C@@]3(C(=O)[O-])C[C@H]3C)C=C21	REAL300017834780	0	43	-1.0	-59.99	363.96	5.19	-54.80
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017834781	0	32	-1.0	-53.42	312.48	5.68	-47.74
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017834782	0	32	-1.0	-47.06	321.29	5.22	-41.84
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834783	0	42	-1.0	-50.61	346.42	6.13	-44.48
CC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1C#N	REAL300017834784	0	36	-1.0	-47.47	325.14	5.04	-42.43
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1F	REAL300017834785	0	38	-1.0	-52.08	344.49	4.84	-47.24
COC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834786	0	36	-1.0	-50.92	322.43	4.53	-46.39
COC1=CC=C(C)C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834787	0	39	-1.0	-55.01	325.35	4.69	-50.32
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017834788	0	33	-1.0	-45.90	325.66	5.05	-40.85
COC1=CC(C)=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1Cl	REAL300017834789	0	39	-1.0	-52.28	341.35	5.24	-47.04
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)S1	REAL300017834790	0	38	-1.0	-49.64	355.03	5.12	-44.52
CC(=O)NC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1F	REAL300017834791	0	39	-1.0	-52.33	344.94	3.19	-49.14
COC1=CC(Cl)=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300017834792	0	40	-1.0	-49.02	345.74	3.42	-45.60
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017834793	0	36	-1.0	-51.84	326.57	4.12	-47.72
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017834794	0	35	-1.0	-49.61	325.43	5.53	-44.08
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C	REAL300017834795	0	43	-1.0	-51.37	375.36	1.19	-50.18
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC[C@@]3(C(=O)[O-])C[C@H]3C)=CC=C2S1	REAL300017834796	0	44	-1.0	-49.25	399.78	7.18	-42.07
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300017834797	0	36	-1.0	-52.83	326.47	5.53	-47.30
COC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C(Br)=C1	REAL300017834798	0	36	-1.0	-52.63	327.11	4.53	-48.10
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017834799	0	37	-1.0	-57.83	340.99	-0.02	-57.85
CC1=CC2=C(C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C)OCO2	REAL300017834800	0	38	-1.0	-51.94	322.43	3.93	-48.01
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834801	0	38	-1.0	-52.03	327.89	5.26	-46.77
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017834802	0	32	-1.0	-49.75	299.56	5.04	-44.71
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834803	0	38	-1.0	-48.69	317.33	6.25	-42.44
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017834804	0	32	-1.0	-53.03	317.37	5.47	-47.56
COC1=CC2=C(C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C)OCC(=O)N2	REAL300017834805	0	42	-1.0	-53.35	356.37	1.24	-52.11
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300017834806	0	30	-1.0	-46.18	297.65	3.72	-42.46
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017834807	0	33	-1.0	-52.92	303.49	2.56	-50.36
COC1=CN=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834808	0	35	-1.0	-49.35	309.74	1.61	-47.74
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017834809	0	32	-1.0	-52.91	300.03	4.84	-48.07
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1OC	REAL300017834810	0	42	-1.0	-50.69	367.25	4.86	-45.83
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017834811	0	36	-1.0	-56.07	332.35	1.76	-54.31
CCOC1=CC=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834812	0	39	-1.0	-49.49	335.56	4.59	-44.90
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300017834813	0	43	-1.0	-59.03	351.62	5.71	-53.32
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300017834814	0	36	-1.0	-51.70	337.75	5.65	-46.05
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300017834852	0	33	-1.0	-51.66	305.20	4.52	-47.14
CC1=CC=C(C#N)C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834853	0	36	-1.0	-54.22	316.63	5.77	-48.45
COC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C(=O)N(C)C	REAL300017834854	0	46	-1.0	-54.92	384.48	3.95	-50.97
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017834855	0	40	-1.0	-49.37	358.00	5.49	-43.88
CC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1[N+](=O)[O-]	REAL300017834856	0	37	-1.0	-46.91	328.34	5.31	-41.60
CC1=CC=C(Br)C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834857	0	35	-1.0	-55.18	321.98	5.60	-49.58
COC(=O)C1=COC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834858	0	35	-1.0	-52.00	324.14	2.86	-49.14
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=N1	REAL300017834859	0	43	-1.0	-54.76	372.90	4.91	-49.85
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300017834860	0	34	-1.0	-50.05	316.21	3.85	-46.20
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300017834861	0	42	-1.0	-54.52	351.76	4.34	-50.18
COC1=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)SC=C1	REAL300017834862	0	33	-1.0	-59.69	299.12	2.63	-57.06
CC(=O)NC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1C	REAL300017834863	0	42	-1.0	-65.48	355.70	4.28	-61.20
C[C@@H]1C[C@@]1(CNS(=O)(=O)CCCC(F)(F)F)C(=O)[O-]	REAL300017834864	0	34	-1.0	-48.06	309.19	4.00	-44.06
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300017834865	0	37	-1.0	-51.63	332.37	4.19	-47.44
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2)C(=O)[O-]	REAL300017834866	0	38	-1.0	-55.43	331.27	1.73	-53.70
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300017834867	0	44	-1.0	-52.13	359.61	4.69	-47.44
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300017834868	0	34	-1.0	-46.72	318.94	3.60	-43.12
CC1=CC=C(Cl)C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834869	0	35	-1.0	-49.44	308.20	4.90	-44.54
COC1=CC=CC(OC)=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834870	0	40	-1.0	-56.00	339.25	4.68	-51.32
CC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CN=C1Cl	REAL300017834871	0	34	-1.0	-49.83	311.76	3.69	-46.14
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300017834872	0	38	-1.0	-51.40	335.64	3.18	-48.22
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017834873	0	31	-1.0	-46.58	304.03	4.08	-42.50
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017834874	0	41	-1.0	-48.14	358.14	5.81	-42.33
CC1=CC=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1C#N	REAL300017834875	0	36	-1.0	-58.05	303.69	4.74	-53.31
COC1=CC(OC)=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834876	0	40	-1.0	-51.17	343.21	2.98	-48.19
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300017834877	0	33	-1.0	-48.75	307.62	4.63	-44.12
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300017834878	0	38	-1.0	-60.25	329.37	5.82	-54.43
CC1=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C2=NC=CC=C2C=C1	REAL300017834879	0	40	-1.0	-55.21	336.14	6.16	-49.05
CCC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1CC	REAL300017834880	0	44	-1.0	-48.70	361.29	6.94	-41.76
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834881	0	40	-1.0	-47.27	339.15	6.85	-40.42
CC1=CC=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1Cl	REAL300017834882	0	35	-1.0	-54.51	301.52	5.13	-49.38
COC(=O)C1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C(C)O1	REAL300017834883	0	38	-1.0	-46.27	344.30	3.66	-42.61
CC1=C(C)SC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834884	0	35	-1.0	-48.74	318.79	4.58	-44.16
CC1=CC=CC(F)=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834885	0	35	-1.0	-50.51	291.81	5.03	-45.48
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300017834886	0	33	-1.0	-44.76	306.49	1.96	-42.80
CCC1=NC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)S1	REAL300017834887	0	34	-1.0	-47.97	314.24	2.95	-45.02
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300017834888	0	38	-1.0	-46.26	323.94	6.16	-40.10
COC(=O)C1=NSC=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834889	0	34	-1.0	-58.97	313.62	3.34	-55.63
COC(=O)C1=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)SC=N1	REAL300017834890	1	34	-1.0	-58.80	324.08	1.92	-56.88
CC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC(C)=C1F	REAL300017834891	0	38	-1.0	-46.89	331.22	5.72	-41.17
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300017834892	0	40	-1.0	-59.15	342.45	2.78	-56.37
C[C@@H]1C[C@@]1(CNS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-]	REAL300017834893	0	43	-1.0	-55.63	348.20	2.22	-53.41
COC(=O)C1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CN1C	REAL300017834894	0	39	-1.0	-55.51	345.38	4.46	-51.05
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300017834895	0	31	-1.0	-46.43	296.93	2.83	-43.60
CC1=CC=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1F	REAL300017834896	0	35	-1.0	-55.49	299.70	4.88	-50.61
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300017834897	0	43	-1.0	-51.63	367.62	5.98	-45.65
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017834898	0	35	-1.0	-49.94	331.05	5.39	-44.55
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017834899	0	35	-1.0	-48.07	330.56	5.64	-42.43
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017834900	0	32	-1.0	-56.57	297.16	5.27	-51.30
CC1=CC(F)=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834901	0	35	-1.0	-48.39	312.04	5.10	-43.29
COC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CN=C1Cl	REAL300017834902	0	35	-1.0	-47.10	325.08	2.32	-44.78
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300017834903	0	36	-1.0	-51.85	335.19	5.26	-46.59
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=N1	REAL300017834904	0	37	-1.0	-48.79	334.94	3.19	-45.60
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017834905	0	31	-1.0	-49.37	302.41	3.53	-45.84
COCC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300017834906	0	39	-1.0	-49.36	340.23	3.87	-45.49
COC1=CC(C#N)=CC=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834907	0	37	-1.0	-48.72	325.54	4.59	-44.13
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834908	0	38	-1.0	-47.89	355.75	5.53	-42.36
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C(=O)[O-]	REAL300017834909	0	35	-1.0	-52.81	314.44	2.03	-50.78
CCOC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=N1	REAL300017834910	0	38	-1.0	-47.82	333.24	1.98	-45.84
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017834911	0	41	-1.0	-60.30	370.19	2.35	-57.95
CC(=O)NC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1F	REAL300017834912	0	39	-1.0	-56.38	344.93	3.18	-53.20
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC[C@@]3(C(=O)[O-])C[C@H]3C)C=C21	REAL300017834913	0	46	-1.0	-66.01	378.13	5.78	-60.23
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300017834914	0	35	-1.0	-56.66	301.47	3.02	-53.64
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834915	0	38	-1.0	-51.53	337.11	6.11	-45.42
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834916	0	42	-1.0	-61.76	366.40	1.53	-60.23
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC[C@@]3(C(=O)[O-])C[C@H]3C)C=C2CC1	REAL300017834917	0	49	-1.0	-57.46	397.85	6.09	-51.37
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C(F)(F)F	REAL300017834918	0	41	-1.0	-47.79	369.20	5.59	-42.20
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834919	0	41	-1.0	-48.92	347.08	6.15	-42.77
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300017834920	0	35	-1.0	-49.96	311.56	5.04	-44.92
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017834921	0	35	-1.0	-53.53	322.88	6.57	-46.96
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834922	0	46	-1.0	-54.69	395.76	2.56	-52.13
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834923	0	45	-1.0	-55.85	382.23	5.61	-50.24
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1C	REAL300017834924	0	44	-1.0	-53.38	373.80	6.58	-46.80
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834925	0	44	-1.0	-52.38	383.05	6.73	-45.65
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1OC	REAL300017834926	0	43	-1.0	-56.82	376.35	4.18	-52.64
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C(F)C=C1C	REAL300017834927	0	44	-1.0	-48.52	374.66	6.05	-42.47
C[C@@H]1C[C@@]1(CNS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017834928	0	38	-1.0	-48.38	347.34	6.16	-42.22
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834929	0	41	-1.0	-51.93	360.05	5.51	-46.42
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017834930	0	42	-1.0	-55.57	355.30	7.89	-47.68
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300017834931	0	46	-1.0	-53.28	404.30	1.93	-51.35
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017834932	0	35	-1.0	-49.05	325.72	5.41	-43.64
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CN1C	REAL300017834933	0	44	-1.0	-53.56	386.23	5.58	-47.98
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017834934	0	36	-1.0	-56.97	328.85	5.36	-51.61
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017834935	0	35	-1.0	-50.84	319.33	5.07	-45.77
CC1=NC(Cl)=CC=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834936	0	34	-1.0	-48.68	307.99	4.01	-44.67
CC1=NC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C(Br)N1C	REAL300017834937	0	35	-1.0	-53.92	324.63	3.94	-49.98
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017834938	0	33	-1.0	-47.82	306.24	3.18	-44.64
COC(=O)C(C)(C)CS(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834939	0	40	-1.0	-49.52	333.13	4.28	-45.24
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834940	0	45	-1.0	-55.04	375.56	5.17	-49.87
COC(=O)C1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C(F)=C1	REAL300017834941	0	38	-1.0	-51.97	334.14	4.89	-47.08
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834942	0	43	-1.0	-54.89	374.07	3.52	-51.37
CC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C(=O)OC(C)C	REAL300017834943	0	47	-1.0	-53.56	394.04	7.30	-46.26
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300017834944	0	44	-1.0	-55.91	388.82	3.36	-52.55
COC(=O)C1(CS(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)CCCC1	REAL300017834945	0	44	-1.0	-51.40	358.05	5.24	-46.16
COCC1=CC(Cl)=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834946	0	39	-1.0	-47.94	356.03	4.60	-43.34
CC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1C(F)(F)F	REAL300017834947	0	38	-1.0	-46.24	338.69	5.64	-40.60
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300017834948	0	43	-1.0	-47.92	391.15	7.53	-40.39
COC(=O)CC1=CC=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834949	0	41	-1.0	-52.65	361.17	5.80	-46.85
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300017834950	0	42	-1.0	-47.18	332.82	5.76	-41.42
C[C@@H]1C[C@@]1(CNS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300017834951	0	38	-1.0	-49.40	346.71	6.33	-43.07
COC(=O)C1(CS(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)CCC1	REAL300017834952	0	41	-1.0	-53.61	346.63	4.52	-49.09
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300017834953	0	32	-1.0	-45.03	317.71	4.37	-40.66
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834954	0	45	-1.0	-52.97	394.07	4.73	-48.24
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834955	0	48	-1.0	-52.70	415.93	5.66	-47.04
COC(=O)C1(CS(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)CCCCC1	REAL300017834956	0	47	-1.0	-62.96	367.31	5.95	-57.01
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834957	0	40	-1.0	-54.28	355.74	5.16	-49.12
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017834958	1	34	-1.0	-57.15	311.31	3.12	-54.03
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300017834959	0	36	-1.0	-53.19	311.72	3.82	-49.37
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300017834960	0	45	-1.0	-55.04	384.98	7.99	-47.05
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017834961	0	35	-1.0	-48.57	340.56	5.86	-42.71
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300017834962	0	35	-1.0	-49.03	331.43	5.45	-43.58
COC1=CC=C(Br)C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1F	REAL300017834963	0	36	-1.0	-53.34	330.24	4.48	-48.86
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834964	0	42	-1.0	-48.50	359.73	6.45	-42.05
C[C@@H]1C[C@@]1(CNS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300017834965	0	44	-1.0	-46.76	348.50	5.79	-40.97
C[C@@H]1C[C@@]1(CNS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017834966	0	36	-1.0	-49.11	330.36	5.98	-43.13
C[C@@H]1C[C@@]1(CNS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300017834967	0	41	-1.0	-48.39	350.97	6.64	-41.75
CC1=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C(C(N)=O)O1	REAL300017834969	0	36	-1.0	-47.87	325.98	-0.29	-48.16
CCCC1=CC=CC=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834973	0	41	-1.0	-54.87	334.93	6.99	-47.88
C[C@@H]1C[C@@]1(CNS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300017834974	0	41	-1.0	-53.34	347.40	4.85	-48.49
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300017834975	0	32	-1.0	-59.69	297.30	4.54	-55.15
C[C@@H]1C[C@@]1(CNS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017834976	0	38	-1.0	-48.87	337.02	5.72	-43.15
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834977	0	48	-1.0	-52.24	398.75	7.14	-45.10
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300017834978	0	37	-1.0	-59.29	317.39	5.03	-54.26
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC[C@@]3(C(=O)[O-])C[C@H]3C)=CC=C21	REAL300017834979	0	52	-1.0	-60.06	411.22	6.59	-53.47
COC(=O)C1=CN(C)C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834980	0	39	-1.0	-56.86	341.53	4.72	-52.14
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300017834981	0	46	-1.0	-49.62	379.74	4.45	-45.17
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300017834982	0	47	-1.0	-59.85	395.82	6.82	-53.03
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC[C@@]3(C(=O)[O-])C[C@H]3C)C=C21	REAL300017834983	0	46	-1.0	-66.41	385.96	6.10	-60.31
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300017834984	0	39	-1.0	-53.59	330.97	4.15	-49.44
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300017834985	0	39	-1.0	-48.47	332.80	4.03	-44.44
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300017834986	0	42	-1.0	-50.23	343.46	5.29	-44.94
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300017834994	0	38	-1.0	-52.05	347.95	5.38	-46.67
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300017834995	0	38	-1.0	-52.02	335.89	1.39	-50.63
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017834996	1	29	-1.0	-48.09	288.28	2.73	-45.36
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300017834997	0	39	-1.0	-52.50	327.66	4.24	-48.26
COC1=C(F)C=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1F	REAL300017834998	0	36	-1.0	-46.95	330.10	3.91	-43.04
COC1=CC(F)=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1F	REAL300017834999	0	36	-1.0	-47.97	319.43	3.31	-44.66
CCCCCOC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C(C)C	REAL300017835000	0	57	-1.0	-48.59	458.67	8.98	-39.61
CC1=CC=C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300017839148	0	36	-1.0	-55.32	325.13	5.59	-49.73
N#CCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839149	0	34	-1.0	-57.06	316.54	5.36	-51.70
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(F)=C1F	REAL300017839150	0	36	-1.0	-52.65	340.14	4.92	-47.73
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=C4C(=C1)CC(=O)N4CCC3)C2	REAL300017839151	0	42	-1.0	-55.36	358.64	5.62	-49.74
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CCC3(CCCCC3)CC1)C2	REAL300017839152	0	48	-1.0	-49.71	361.38	5.87	-43.84
CC1=NC2=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=CC=C2C=C1	REAL300017839153	0	38	-1.0	-58.34	327.25	5.96	-52.38
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C2	REAL300017839154	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)C1=CN(C3CCOCC3)N=C1)C2	REAL300017839155	0	41	-1.0	-53.51	351.73	2.73	-50.78
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839156	0	44	-1.0	-55.50	396.78	5.25	-50.25
N#CC1=CC(F)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300017839157	0	31	-1.0	-49.48	312.77	4.84	-44.64
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1CCC(F)CC1)C2	REAL300017839158	0	39	-1.0	-53.78	321.79	5.34	-48.44
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Cl	REAL300017839159	0	33	-1.0	-50.48	309.72	5.29	-45.19
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3CCC(=O)C3=C1)C2	REAL300017839160	0	36	-1.0	-55.64	322.63	5.17	-50.47
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)=N1	REAL300017839161	0	39	-1.0	-52.85	360.53	5.65	-47.20
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300017839162	0	36	-1.0	-52.03	341.72	5.07	-46.96
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839163	0	39	-1.0	-53.92	347.03	5.21	-48.71
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839164	0	36	-1.0	-53.16	330.82	6.05	-47.11
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C2	REAL300017839165	0	33	-1.0	-53.10	318.07	5.39	-47.71
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C2	REAL300017839166	0	30	-1.0	-48.68	312.55	5.31	-43.37
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839167	0	37	-1.0	-56.87	330.44	1.61	-55.26
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839168	0	55	-1.0	-51.76	454.63	9.11	-42.65
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839169	0	45	-1.0	-55.63	384.45	6.53	-49.10
CCC1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300017839170	0	41	-1.0	-50.52	328.07	4.48	-46.04
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C2	REAL300017839171	0	36	-1.0	-53.95	325.99	5.74	-48.21
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=CC=C1F)C2	REAL300017839172	0	36	-1.0	-53.73	325.45	5.70	-48.03
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C2	REAL300017839173	0	36	-1.0	-52.88	332.55	6.03	-46.85
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839174	0	34	-1.0	-51.49	321.54	4.71	-46.78
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)C(=O)NCCC2	REAL300017839175	0	45	-1.0	-58.84	379.10	3.03	-55.81
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C1	REAL300017839176	0	41	-1.0	-54.61	364.41	4.62	-49.99
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC2=CC=C(C#N)C=C12	REAL300017839177	0	37	-1.0	-52.39	344.75	6.31	-46.08
COC1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300017839178	0	39	-1.0	-51.50	325.09	2.39	-49.11
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C2	REAL300017839179	0	33	-1.0	-52.67	321.32	5.51	-47.16
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839180	0	43	-1.0	-52.03	364.63	5.84	-46.19
CC(CC(F)(F)F)CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839181	0	35	-1.0	-53.92	309.84	4.39	-49.53
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C3=CC=CN=C3C=C1)C2	REAL300017839182	0	37	-1.0	-59.38	339.43	5.96	-53.42
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)=N1	REAL300017839183	0	42	-1.0	-53.22	368.05	4.07	-49.15
COC1=CC(F)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839184	0	34	-1.0	-53.17	309.66	4.00	-49.17
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300017839185	0	36	-1.0	-51.41	331.69	3.57	-47.84
CCC1=NC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN1CC1CC1	REAL300017839186	0	43	-1.0	-55.49	372.94	6.13	-49.36
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C1	REAL300017839187	0	41	-1.0	-57.07	359.50	4.74	-52.33
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C(C3CC3)S1)C2	REAL300017839188	0	33	-1.0	-51.55	314.31	3.69	-47.86
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3NC=C(Br)C=C13)C2	REAL300017839189	0	33	-1.0	-58.25	324.01	3.99	-54.26
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(C)C	REAL300017839190	0	49	-1.0	-51.74	405.74	7.23	-44.51
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1[N+](=O)[O-]	REAL300017839191	0	38	-1.0	-55.55	338.81	6.52	-49.03
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839192	0	37	-1.0	-50.88	319.63	4.02	-46.86
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C2	REAL300017839193	0	43	-1.0	-52.15	376.87	6.44	-45.71
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OCC3=CC=CC=C3)C(F)=C1)C2	REAL300017839194	0	44	-1.0	-53.13	391.74	7.54	-45.59
COC(CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=C(F)C=C1	REAL300017839195	0	40	-1.0	-53.00	357.41	4.86	-48.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=C4C(=C1)CCC(=O)N4CC3)C2	REAL300017839196	0	42	-1.0	-55.67	358.48	5.62	-50.05
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300017839197	0	38	-1.0	-52.58	356.14	3.08	-49.50
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=CC=C12	REAL300017839198	0	42	-1.0	-53.15	365.70	7.05	-46.10
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300017839199	0	41	-1.0	-54.11	358.97	3.27	-50.84
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1(C(F)F)CCCC1)C2	REAL300017839200	0	39	-1.0	-50.75	322.75	5.41	-45.34
CCOC1(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCOCC1	REAL300017839201	0	44	-1.0	-53.62	352.21	2.92	-50.70
CCOC(CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CC1	REAL300017839202	0	40	-1.0	-53.79	339.60	4.48	-49.31
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300017839203	0	36	-1.0	-52.22	331.39	4.63	-47.59
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C(Cl)C=C21	REAL300017839204	0	41	-1.0	-63.12	367.34	5.77	-57.35
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839205	0	33	-1.0	-50.21	316.16	2.80	-47.41
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(SC3=CC=CC=C3)=C1)C2	REAL300017839206	0	41	-1.0	-52.21	375.14	8.28	-43.93
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839207	0	33	-1.0	-47.88	316.98	5.63	-42.25
CC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Br	REAL300017839208	0	33	-1.0	-53.42	309.33	5.49	-47.93
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839209	0	36	-1.0	-57.91	331.26	5.28	-52.63
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(C3CCOC3)N=C1)C2	REAL300017839210	0	38	-1.0	-54.04	333.45	1.94	-52.10
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839211	0	34	-1.0	-51.27	325.37	4.10	-47.17
COC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1[N+](=O)[O-]	REAL300017839212	0	36	-1.0	-54.00	329.79	4.93	-49.07
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839213	0	36	-1.0	-49.41	328.43	6.07	-43.34
COCCN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300017839214	0	37	-1.0	-53.49	334.32	1.80	-51.69
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839215	0	43	-1.0	-51.98	362.94	5.66	-46.32
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C2	REAL300017839216	0	37	-1.0	-57.01	338.65	4.73	-52.28
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300017839217	0	57	-1.0	-54.76	459.89	8.69	-46.07
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C2	REAL300017839218	0	38	-1.0	-57.68	347.82	6.35	-51.33
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C2	REAL300017839219	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)CC1=CC=C(F)C=C1F)C2	REAL300017839220	0	33	-1.0	-54.94	310.07	4.99	-49.95
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3CCS(=O)(=O)C3=C1)C2	REAL300017839221	0	37	-1.0	-67.33	338.86	2.06	-65.27
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300017839222	0	39	-1.0	-58.57	350.22	5.14	-53.43
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839223	0	33	-1.0	-51.14	307.47	5.57	-45.57
COCC1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839224	0	37	-1.0	-51.21	320.19	4.28	-46.93
COC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300017839225	0	34	-1.0	-51.11	324.42	4.15	-46.96
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Cl)S1	REAL300017839226	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=CN(CC(F)(F)F)N=C1)C2	REAL300017839227	0	33	-1.0	-55.36	318.53	3.25	-52.11
CC1(C)CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2O1	REAL300017839228	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	REAL300017839229	0	38	-1.0	-56.81	353.21	0.96	-55.85
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300017839230	0	41	-1.0	-55.98	374.67	1.85	-54.13
CCC(=O)NCC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC	REAL300017839231	0	47	-1.0	-55.83	405.19	3.35	-52.48
CCC1=CC=C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839232	0	39	-1.0	-53.65	340.99	6.33	-47.32
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839233	0	34	-1.0	-52.48	320.58	4.20	-48.28
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OCC3CCOC3)C(F)=C1)C2	REAL300017839234	0	45	-1.0	-52.80	388.25	4.62	-48.18
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839235	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	REAL300017839236	0	32	-1.0	-51.31	322.84	4.09	-47.22
CC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300017839237	0	35	-1.0	-53.28	331.82	5.23	-48.05
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839238	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	REAL300017839239	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	REAL300017839240	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)CCNC(=O)OCC1=CC=CC=C1)C2	REAL300017839241	0	44	-1.0	-57.83	391.59	3.60	-54.23
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C2	REAL300017839242	0	33	-1.0	-55.56	308.70	4.95	-50.61
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	REAL300017839243	0	43	-1.0	-52.19	385.25	5.82	-46.37
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C2	REAL300017839244	0	30	-1.0	-47.84	302.81	5.54	-42.30
CC1(C)CN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCO1	REAL300017839245	0	39	-1.0	-50.94	321.18	2.41	-48.53
COC1=C(C)C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300017839246	0	40	-1.0	-52.20	347.84	5.07	-47.13
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839247	0	46	-1.0	-51.78	386.20	6.51	-45.27
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC3CCCC3)C=C1)C2	REAL300017839248	0	44	-1.0	-51.79	369.17	6.38	-45.41
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839249	0	43	-1.0	-51.52	367.46	5.90	-45.62
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839250	0	40	-1.0	-51.90	347.13	5.21	-46.69
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300017839251	0	34	-1.0	-51.50	319.78	4.04	-47.46
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C2	REAL300017839252	0	34	-1.0	-52.94	329.78	4.31	-48.63
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300017839253	0	37	-1.0	-52.64	323.82	4.23	-48.41
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC(C)C	REAL300017839254	0	43	-1.0	-52.26	363.59	5.78	-46.48
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300017839255	0	37	-1.0	-51.13	318.45	4.26	-46.87
COCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839256	0	41	-1.0	-53.95	359.48	3.67	-50.28
COCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300017839257	0	44	-1.0	-54.22	379.32	4.42	-49.80
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839258	0	41	-1.0	-56.93	365.33	3.84	-53.09
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(=O)N3CCOCC3)C=C1)C2	REAL300017839259	0	45	-1.0	-55.97	380.40	3.69	-52.28
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839260	0	40	-1.0	-57.08	346.70	4.03	-53.05
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Br)=C1	REAL300017839261	0	33	-1.0	-52.26	312.41	5.59	-46.67
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	REAL300017839262	0	36	-1.0	-59.69	348.81	2.24	-57.45
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839263	0	36	-1.0	-55.39	335.51	6.20	-49.19
N#CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300017839264	0	31	-1.0	-51.20	310.48	4.99	-46.21
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839265	0	33	-1.0	-48.52	310.29	5.58	-42.94
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300017839266	0	38	-1.0	-60.94	323.60	7.03	-53.91
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839267	0	36	-1.0	-55.45	342.86	5.38	-50.07
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839268	0	39	-1.0	-57.67	349.74	2.59	-55.08
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	REAL300017839269	0	34	-1.0	-55.27	316.99	6.03	-49.24
N#CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Cl	REAL300017839270	0	31	-1.0	-53.73	310.74	4.98	-48.75
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	REAL300017839271	0	46	-1.0	-56.77	383.84	5.84	-50.93
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC3CC3)C=C1)C2	REAL300017839272	0	42	-1.0	-54.45	383.60	2.03	-52.42
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839273	0	38	-1.0	-57.39	350.90	0.35	-57.04
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300017839274	0	40	-1.0	-58.05	370.65	3.11	-54.94
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300017839275	0	33	-1.0	-51.50	313.80	2.98	-48.52
CC1=NC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300017839276	0	32	-1.0	-51.08	298.83	2.79	-48.29
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C2	REAL300017839277	1	32	-1.0	-56.63	300.59	5.83	-50.80
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C2	REAL300017839278	0	33	-1.0	-52.49	331.55	5.90	-46.59
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	REAL300017839279	0	43	-1.0	-56.09	365.89	4.69	-51.40
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C2	REAL300017839280	0	30	-1.0	-53.50	289.17	4.95	-48.55
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)=CS1	REAL300017839281	0	36	-1.0	-52.96	354.00	4.73	-48.23
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OCC3CCCCC3)C=C1)C2	REAL300017839282	0	50	-1.0	-52.01	409.15	7.79	-44.22
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1)C2	REAL300017839283	0	40	-1.0	-55.41	371.84	3.76	-51.65
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839284	0	39	-1.0	-52.46	343.74	5.72	-46.74
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C2	REAL300017839285	0	32	-1.0	-58.25	308.35	6.17	-52.08
COC1=CC(F)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300017839286	0	38	-1.0	-52.34	331.03	3.14	-49.20
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300017839287	0	41	-1.0	-51.74	347.69	4.27	-47.47
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	REAL300017839288	1	32	-1.0	-53.72	322.91	6.85	-46.87
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839289	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=C(Cl)N=C3C=CC=CN31)C2	REAL300017839290	0	33	-1.0	-54.45	312.24	5.05	-49.40
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(N)=O	REAL300017839291	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	REAL300017839292	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	REAL300017839293	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	REAL300017839294	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	REAL300017839295	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	REAL300017839296	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	REAL300017839297	0	39	-1.0	-56.21	352.91	5.55	-50.66
COC(=O)C1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300017839298	0	41	-1.0	-57.66	343.67	3.85	-53.81
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3NC(=O)CCCC3=C1)C2	REAL300017839299	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	REAL300017839300	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	REAL300017839301	0	36	-1.0	-50.76	335.94	3.90	-46.86
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839302	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	REAL300017839303	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	REAL300017839304	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	REAL300017839305	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	REAL300017839306	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	REAL300017839307	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	REAL300017839308	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	REAL300017839309	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	REAL300017839310	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	REAL300017839311	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	REAL300017839312	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	REAL300017839313	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	REAL300017839314	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(Br)=CN=C1Cl)C2	REAL300017839315	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	REAL300017839316	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	REAL300017839317	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	REAL300017839318	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	REAL300017839319	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	REAL300017839320	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	REAL300017839321	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	REAL300017839322	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	REAL300017839323	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	REAL300017839324	0	44	-1.0	-53.53	385.55	7.47	-46.06
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	REAL300017839325	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	REAL300017839326	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	REAL300017839327	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	REAL300017839328	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	REAL300017839329	0	40	-1.0	-54.22	360.53	5.75	-48.47
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3NC=CC=C13)C2	REAL300017839330	0	33	-1.0	-62.74	302.78	3.38	-59.36
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839331	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	REAL300017839332	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	REAL300017839333	0	36	-1.0	-55.94	339.32	1.73	-54.21
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C12	REAL300017839334	0	43	-1.0	-53.36	365.75	6.81	-46.55
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839335	0	40	-1.0	-54.36	346.29	5.53	-48.83
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(N3C=NN=N3)=C1)C2	REAL300017839336	0	35	-1.0	-64.79	322.83	4.36	-60.43
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(C3=CC=CC=C3)N=C1)C2	REAL300017839337	0	37	-1.0	-54.73	335.13	5.31	-49.42
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C2	REAL300017839338	0	32	-1.0	-55.78	318.67	5.31	-50.47
N#CC1=C(F)C=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839339	0	31	-1.0	-62.71	298.66	4.51	-58.20
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839340	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	REAL300017839341	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	REAL300017839342	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	REAL300017839343	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	REAL300017839344	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	REAL300017839345	0	40	-1.0	-55.63	357.65	4.61	-51.02
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300017839346	0	36	-1.0	-54.78	343.63	4.79	-49.99
COC(=O)C1=CSC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839347	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	REAL300017839348	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=C1Cl	REAL300017839349	0	36	-1.0	-53.59	341.82	5.22	-48.37
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1C	REAL300017839350	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	REAL300017839351	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	REAL300017839352	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	REAL300017839353	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	REAL300017839354	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	REAL300017839355	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=C3COCC3=C1)C2	REAL300017839356	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)C1=CN=C3NC(=O)NC(=O)C3=C1)C2	REAL300017839357	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	REAL300017839358	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	REAL300017839359	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	REAL300017839360	0	35	-1.0	-57.20	331.21	4.30	-52.90
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C=C1F	REAL300017839361	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	REAL300017839362	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	REAL300017839363	0	42	-1.0	-54.18	365.28	5.72	-48.46
CCCCCCN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(=O)NC1=O	REAL300017839364	0	48	-1.0	-55.92	404.74	4.78	-51.14
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	REAL300017839365	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	REAL300017839366	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	REAL300017839367	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	REAL300017839368	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-]	REAL300017839369	0	35	-1.0	-52.61	334.95	6.02	-46.59
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C2	REAL300017839370	0	27	-1.0	-48.95	278.92	2.91	-46.04
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)OC2=CC=C(F)C=C12	REAL300017839371	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	REAL300017839372	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(F)=CC=C3S1)C2	REAL300017839373	0	33	-1.0	-50.85	319.89	5.68	-45.17
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC(Cl)=CC=C3S1)C2	REAL300017839374	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	REAL300017839375	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	REAL300017839376	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	REAL300017839377	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	REAL300017839378	0	36	-1.0	-57.23	332.38	7.03	-50.20
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	REAL300017839379	0	41	-1.0	-55.89	379.25	3.14	-52.75
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN1C	REAL300017839380	0	40	-1.0	-59.40	357.59	5.21	-54.19
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2O1	REAL300017839381	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	REAL300017839382	0	36	-1.0	-56.37	339.60	1.72	-54.65
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839383	0	39	-1.0	-54.50	364.25	4.05	-50.45
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839384	0	43	-1.0	-59.09	381.99	5.75	-53.34
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC2=CC=CC(F)=C12	REAL300017839385	0	36	-1.0	-51.89	327.65	5.92	-45.97
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C2	REAL300017839386	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	REAL300017839387	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	REAL300017839388	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	REAL300017839389	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	REAL300017839390	0	35	-1.0	-49.66	330.07	6.11	-43.55
CSC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300017839391	0	34	-1.0	-51.05	329.47	5.66	-45.39
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)N=C1Cl	REAL300017839392	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	REAL300017839393	0	33	-1.0	-69.31	317.41	4.89	-64.42
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1)C2	REAL300017839394	0	42	-1.0	-56.08	375.43	6.67	-49.41
CN(C)C1=CC=C(Br)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839395	0	38	-1.0	-53.14	342.61	5.32	-47.82
CC1=NN2C=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=NC2=C1Cl	REAL300017839396	0	35	-1.0	-54.52	333.05	4.01	-50.51
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839397	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	REAL300017839398	0	42	-1.0	-54.18	345.95	4.62	-49.56
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C12	REAL300017839399	0	37	-1.0	-56.44	335.49	1.90	-54.54
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC([N+](=O)[O-])=C1F	REAL300017839400	0	35	-1.0	-51.06	327.56	5.50	-45.56
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=C(Br)C=C3C=C1)C2	REAL300017839401	0	36	-1.0	-51.66	341.75	7.07	-44.59
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839402	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=CN=C3NC=CC(Cl)=C13)C2	REAL300017839403	0	33	-1.0	-63.79	311.84	4.05	-59.74
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C2	REAL300017839404	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	REAL300017839405	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=CN=C(Cl)C=C1Cl)C2	REAL300017839406	0	29	-1.0	-50.10	300.12	3.36	-46.74
COC(=O)C1CCCCC1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839407	0	42	-1.0	-54.26	345.11	5.80	-48.46
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	REAL300017839408	0	43	-1.0	-55.54	372.92	6.81	-48.73
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN3CCCCC3=N1)C2	REAL300017839409	0	37	-1.0	-55.80	320.36	4.22	-51.58
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839410	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=C(OCC(F)(F)F)N=C1)C2	REAL300017839411	0	36	-1.0	-51.61	343.14	2.26	-49.35
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839412	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=CC=CC=C1CN1C=NC=N1)C2	REAL300017839413	0	39	-1.0	-55.76	340.94	7.94	-47.82
CCC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C(C(=O)OC)O1	REAL300017839414	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	REAL300017839415	0	47	-1.0	-64.19	388.14	5.96	-58.23
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1F	REAL300017839416	0	37	-1.0	-53.74	323.48	4.41	-49.33
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1CCCN(C(=O)C3CCCC3)C1)C2	REAL300017839417	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	REAL300017839418	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	REAL300017839419	0	41	-1.0	-59.11	373.51	4.91	-54.20
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839420	0	38	-1.0	-55.41	346.62	6.35	-49.06
N#CC1(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCCC1	REAL300017839421	0	40	-1.0	-60.49	329.65	5.06	-55.43
CC1(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCCC1	REAL300017839422	0	42	-1.0	-51.73	324.45	5.68	-46.05
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=CC=C3OCC1)C2	REAL300017839423	0	39	-1.0	-51.79	336.30	5.62	-46.17
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C2	REAL300017839424	0	33	-1.0	-53.85	313.64	3.04	-50.81
COC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1F	REAL300017839425	0	34	-1.0	-51.97	310.22	3.55	-48.42
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839426	0	41	-1.0	-53.62	364.75	4.22	-49.40
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839427	0	44	-1.0	-56.54	392.46	5.49	-51.05
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839428	0	39	-1.0	-51.26	324.09	6.11	-45.15
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C2	REAL300017839429	0	44	-1.0	-52.58	389.68	7.55	-45.03
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C2	REAL300017839430	0	30	-1.0	-48.20	308.45	5.01	-43.19
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2O1	REAL300017839431	0	45	-1.0	-54.26	398.25	6.86	-47.40
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839432	0	42	-1.0	-52.68	366.67	6.55	-46.13
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C2	REAL300017839433	0	30	-1.0	-53.08	309.84	5.29	-47.79
CC1=C(Cl)SC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839434	0	30	-1.0	-48.41	303.49	4.40	-44.01
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300017839435	0	34	-1.0	-51.06	301.81	3.24	-47.82
CC1=CC=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1[N+](=O)[O-]	REAL300017839436	0	38	-1.0	-62.11	330.41	7.12	-54.99
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C2	REAL300017839437	0	36	-1.0	-52.57	335.50	5.96	-46.61
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1[N+](=O)[O-]	REAL300017839438	0	40	-1.0	-49.09	363.23	7.15	-41.94
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839439	0	38	-1.0	-56.19	341.68	2.39	-53.80
CN(C)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839440	0	38	-1.0	-52.61	327.07	4.60	-48.01
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=CC=C3OC1)C2	REAL300017839441	0	36	-1.0	-53.77	320.28	4.69	-49.08
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C2	REAL300017839443	0	33	-1.0	-52.07	306.73	5.05	-47.02
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C2	REAL300017839444	0	33	-1.0	-49.38	329.98	5.69	-43.69
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C2	REAL300017839445	0	33	-1.0	-49.25	311.06	4.94	-44.31
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839446	0	33	-1.0	-49.55	317.22	5.46	-44.09
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839447	0	41	-1.0	-56.39	339.90	2.47	-53.92
CSC1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839448	0	34	-1.0	-56.07	310.79	5.25	-50.82
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839449	0	41	-1.0	-63.08	352.68	4.21	-58.87
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C2	REAL300017839450	0	42	-1.0	-59.61	363.49	4.20	-55.41
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C2	REAL300017839451	0	36	-1.0	-53.15	354.98	2.30	-50.85
COC1=C(F)C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300017839452	0	36	-1.0	-50.88	338.03	5.01	-45.87
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300017839453	0	40	-1.0	-52.80	363.83	3.39	-49.41
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C1)C2	REAL300017839454	0	41	-1.0	-58.94	373.20	6.02	-52.92
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(OC)=C1	REAL300017839455	0	40	-1.0	-55.34	357.99	4.60	-50.74
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839456	0	33	-1.0	-47.78	316.96	5.64	-42.14
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300017839457	0	38	-1.0	-50.30	335.83	6.38	-43.92
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC3=CC=CN=C31)C2	REAL300017839458	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	REAL300017839459	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	REAL300017839460	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	REAL300017839461	0	35	-1.0	-59.29	322.85	4.35	-54.94
COC1=CC(F)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300017839462	0	34	-1.0	-52.10	311.04	3.72	-48.38
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1	REAL300017839463	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	REAL300017839464	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	REAL300017839465	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	REAL300017839466	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	REAL300017839467	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	REAL300017839468	0	42	-1.0	-52.79	372.64	6.57	-46.22
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839469	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=CC(C(F)(F)F)=C1)C2	REAL300017839470	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	REAL300017839471	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	REAL300017839472	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	REAL300017839473	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	REAL300017839474	0	35	-1.0	-53.28	310.69	4.63	-48.65
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=C(OC(F)F)C=C3CC1)C2	REAL300017839475	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	REAL300017839476	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	REAL300017839477	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	REAL300017839478	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	REAL300017839479	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	REAL300017839480	0	38	-1.0	-54.17	340.57	3.91	-50.26
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C2	REAL300017839481	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	REAL300017839482	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	REAL300017839483	0	39	-1.0	-52.65	356.05	7.02	-45.63
COCC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839484	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=CC([N+](=O)[O-])=CC=C1Br)C2	REAL300017839485	0	32	-1.0	-50.55	319.36	5.58	-44.97
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	REAL300017839486	0	39	-1.0	-55.59	369.86	5.38	-50.21
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839487	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	REAL300017839488	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	REAL300017839489	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	REAL300017839490	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	REAL300017839491	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	REAL300017839492	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	REAL300017839525	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	REAL300017839526	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=CC(F)=CC=C1Cl)C2	REAL300017839527	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	REAL300017839528	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	REAL300017839529	0	33	-1.0	-53.20	325.12	5.78	-47.42
N#CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Cl)=C1	REAL300017839530	0	31	-1.0	-53.62	308.84	5.13	-48.49
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300017839531	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	REAL300017839532	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	REAL300017839533	0	34	-1.0	-50.61	333.30	4.61	-46.00
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839534	0	42	-1.0	-49.15	331.12	7.47	-41.68
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	REAL300017839535	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	REAL300017839536	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	REAL300017839537	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	REAL300017839538	0	41	-1.0	-52.80	379.92	7.53	-45.27
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC(C3=CC=CC=C3)=N1)C2	REAL300017839539	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	REAL300017839540	0	36	-1.0	-51.19	357.73	5.38	-45.81
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300017839541	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	REAL300017839542	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	REAL300017839543	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	REAL300017839544	0	42	-1.0	-54.37	351.87	4.72	-49.65
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300017839545	0	44	-1.0	-59.08	369.92	4.14	-54.94
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)=CO1	REAL300017839546	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	REAL300017839547	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	REAL300017839548	0	33	-1.0	-53.10	304.02	4.57	-48.53
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3OCOC3=C1)C2	REAL300017839549	0	33	-1.0	-53.83	300.61	2.84	-50.99
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3OCCCC3=C1)C2	REAL300017839550	0	38	-1.0	-53.12	328.26	4.81	-48.31
COC1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839551	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	REAL300017839552	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	REAL300017839553	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	REAL300017839554	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	REAL300017839555	0	40	-1.0	-54.52	356.54	5.98	-48.54
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)[C@@H]1CCN(C(=O)OCC3=CC=CC=C3)C1)C2	REAL300017839556	0	48	-1.0	-61.49	414.45	6.32	-55.17
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)[C@H]1CCN(C(=O)OCC3=CC=CC=C3)C1)C2	REAL300017839557	0	48	-1.0	-57.24	404.68	5.82	-51.42
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1CN(C(=O)OCC3=CC=CC=C3)C1)C2	REAL300017839558	0	45	-1.0	-56.70	397.90	5.38	-51.32
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300017839559	0	32	-1.0	-53.65	313.86	4.56	-49.09
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300017839560	0	41	-1.0	-61.16	354.76	5.31	-55.85
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C2	REAL300017839561	0	30	-1.0	-53.89	306.04	5.36	-48.53
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C2	REAL300017839562	0	30	-1.0	-50.76	310.63	5.26	-45.50
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839563	0	40	-1.0	-54.76	333.33	5.73	-49.03
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1C#N	REAL300017839564	0	34	-1.0	-52.16	314.22	5.08	-47.08
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300017839565	0	36	-1.0	-56.00	333.82	4.87	-51.13
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839566	0	34	-1.0	-52.20	319.70	4.46	-47.74
COC1=CC=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839567	0	37	-1.0	-51.93	318.89	4.37	-47.56
N#CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300017839568	0	31	-1.0	-51.02	314.76	5.08	-45.94
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300017839569	0	37	-1.0	-49.75	334.51	4.93	-44.82
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300017839570	0	36	-1.0	-48.85	346.14	4.70	-44.15
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300017839571	0	37	-1.0	-54.92	335.40	3.20	-51.72
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300017839572	0	38	-1.0	-52.69	346.48	3.96	-48.73
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C2	REAL300017839573	0	34	-1.0	-53.55	319.97	3.82	-49.73
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C2	REAL300017839574	0	33	-1.0	-49.93	318.59	5.24	-44.69
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300017839575	0	41	-1.0	-55.27	365.59	1.28	-53.99
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2S1	REAL300017839576	0	42	-1.0	-54.75	389.19	7.23	-47.52
N#CCC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839577	0	34	-1.0	-56.77	316.80	5.34	-51.43
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Br)=C1	REAL300017839578	0	34	-1.0	-51.38	320.47	4.22	-47.16
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300017839579	0	35	-1.0	-60.25	331.31	-0.21	-60.46
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)OCO2	REAL300017839580	0	36	-1.0	-50.74	314.99	3.74	-47.00
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839581	0	36	-1.0	-58.71	325.20	5.29	-53.42
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C2	REAL300017839582	0	30	-1.0	-51.37	304.82	5.25	-46.12
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839583	0	36	-1.0	-49.05	307.67	5.86	-43.19
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C2	REAL300017839584	0	30	-1.0	-50.08	307.83	5.42	-44.66
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)OCC(=O)N2	REAL300017839585	0	40	-1.0	-56.03	353.98	1.16	-54.87
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=NSN=C31)C2	REAL300017839586	0	31	-1.0	-54.09	292.12	2.66	-51.43
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C2	REAL300017839587	0	30	-1.0	-51.69	292.93	4.54	-47.15
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300017839588	0	40	-1.0	-55.32	356.58	4.90	-50.42
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839589	0	34	-1.0	-54.39	325.77	1.47	-52.92
CCOC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839590	0	37	-1.0	-54.38	325.92	4.40	-49.98
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2O1	REAL300017839591	0	41	-1.0	-54.12	344.87	5.49	-48.63
N#CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1C(F)(F)F	REAL300017839592	0	34	-1.0	-54.91	330.93	5.37	-49.54
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839630	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	REAL300017839631	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	REAL300017839632	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	REAL300017839633	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-]	REAL300017839634	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	REAL300017839635	0	44	-1.0	-50.05	389.42	6.79	-43.26
CC1=CC=C(Br)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839636	0	33	-1.0	-52.66	312.52	5.57	-47.09
COC(=O)C1=COC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839637	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	REAL300017839638	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	REAL300017839639	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	REAL300017839640	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	REAL300017839641	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	REAL300017839642	0	40	-1.0	-64.04	347.88	3.94	-60.10
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCCC(F)(F)F)C2	REAL300017839643	0	32	-1.0	-54.59	299.32	3.81	-50.78
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=NOC3=CC=CC=C31)C2	REAL300017839644	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)C1=C3NC(=O)COC3=CC=C1)C2	REAL300017839645	0	36	-1.0	-58.42	321.29	1.74	-56.68
CN1CCCC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300017839646	0	42	-1.0	-53.57	348.72	4.73	-48.84
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C2	REAL300017839647	0	32	-1.0	-52.61	310.02	3.49	-49.12
CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839648	0	33	-1.0	-53.83	309.55	5.39	-48.44
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839649	0	38	-1.0	-56.91	326.74	4.73	-52.18
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN=C1Cl	REAL300017839650	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	REAL300017839651	0	36	-1.0	-56.49	325.95	3.24	-53.25
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C2	REAL300017839652	0	29	-1.0	-51.55	295.73	3.95	-47.60
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300017839653	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	REAL300017839654	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	REAL300017839655	0	38	-1.0	-53.80	333.24	2.79	-51.01
N#CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839656	0	31	-1.0	-52.72	308.57	5.14	-47.58
CN1C=NC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300017839657	0	36	-1.0	-60.15	322.52	5.53	-54.62
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=NC=CC=C2C=C1	REAL300017839658	0	38	-1.0	-56.77	326.66	6.06	-50.71
CCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1CC	REAL300017839659	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	REAL300017839660	0	38	-1.0	-50.09	329.09	6.42	-43.67
CC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300017839661	0	33	-1.0	-54.27	306.83	5.31	-48.96
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C)O1	REAL300017839662	0	36	-1.0	-54.49	317.67	3.21	-51.28
CC1=C(C)SC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839663	0	33	-1.0	-50.60	308.17	4.59	-46.01
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839664	0	31	-1.0	-49.60	296.86	2.05	-47.55
CCC1=NC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300017839665	0	32	-1.0	-51.40	304.58	2.77	-48.63
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C2	REAL300017839666	0	36	-1.0	-60.39	322.52	5.60	-54.79
COC(=O)C1=NSC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839667	0	32	-1.0	-58.36	306.96	3.03	-55.33
COC(=O)C1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC=N1	REAL300017839668	1	32	-1.0	-55.78	305.43	2.27	-53.51
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(C)=C1F	REAL300017839669	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	REAL300017839670	0	38	-1.0	-58.62	334.15	2.63	-55.99
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CCC3(CC1)OCCO3)C2	REAL300017839671	0	41	-1.0	-51.69	338.10	2.26	-49.43
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN1C	REAL300017839672	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=CN=CC(Cl)=C1)C2	REAL300017839673	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	REAL300017839674	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(Cl)=CC=C1F)C2	REAL300017839675	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)CC1=CC=C(F)C(Cl)=C1)C2	REAL300017839676	0	33	-1.0	-53.85	321.00	5.44	-48.41
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C2	REAL300017839677	0	30	-1.0	-53.65	286.52	4.85	-48.80
COC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN=C1Cl	REAL300017839678	0	33	-1.0	-50.53	315.38	2.14	-48.39
N#CC1=CC=C(F)C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839679	0	34	-1.0	-56.60	324.26	5.30	-51.30
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300017839680	0	35	-1.0	-53.56	325.27	3.01	-50.55
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C2	REAL300017839681	0	29	-1.0	-51.82	289.67	3.50	-48.32
COCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839682	0	37	-1.0	-52.27	329.36	3.91	-48.36
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839683	0	35	-1.0	-54.81	324.04	4.34	-50.47
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839684	0	36	-1.0	-50.95	346.04	5.34	-45.61
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=C(C=C1Cl)NC(=O)O3)C2	REAL300017839685	0	33	-1.0	-51.95	319.09	2.27	-49.68
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300017839686	0	36	-1.0	-51.92	323.56	1.80	-50.12
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839687	0	39	-1.0	-62.75	359.54	2.37	-60.38
CC(=O)NC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1F	REAL300017839688	0	37	-1.0	-58.18	335.41	3.19	-54.99
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300017839689	0	44	-1.0	-60.67	367.23	5.83	-54.84
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=C1OCO3)C2	REAL300017839690	0	33	-1.0	-53.01	290.96	2.66	-50.35
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839691	0	36	-1.0	-48.78	328.19	5.99	-42.79
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839692	0	40	-1.0	-63.39	355.24	1.57	-61.82
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2CC1	REAL300017839693	0	47	-1.0	-59.55	385.81	6.07	-53.48
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(F)(F)F	REAL300017839694	0	39	-1.0	-56.57	359.19	5.66	-50.91
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839695	0	39	-1.0	-52.22	348.02	6.67	-45.55
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC3=CC=CC=C31)C2	REAL300017839696	0	33	-1.0	-52.18	310.87	5.55	-46.63
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C2	REAL300017839697	0	33	-1.0	-51.90	312.92	6.13	-45.77
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839698	0	44	-1.0	-57.38	386.12	2.38	-55.00
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839699	0	43	-1.0	-55.18	379.51	5.53	-49.65
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1C	REAL300017839700	0	42	-1.0	-54.11	366.96	6.29	-47.82
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839701	0	42	-1.0	-56.22	373.37	6.53	-49.69
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1OC	REAL300017839702	0	41	-1.0	-54.66	361.46	4.03	-50.63
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C=C1C	REAL300017839703	0	42	-1.0	-51.31	364.96	6.04	-45.27
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C2	REAL300017839704	0	36	-1.0	-53.93	336.33	6.18	-47.75
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839705	0	39	-1.0	-54.39	348.98	5.52	-48.87
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(C3=CC=CC=C3)=C1)C2	REAL300017839706	0	40	-1.0	-54.36	348.45	7.60	-46.76
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839707	0	44	-1.0	-56.27	393.66	1.97	-54.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C2	REAL300017839708	0	33	-1.0	-52.63	314.78	5.45	-47.18
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN1C	REAL300017839709	0	42	-1.0	-57.85	376.57	5.39	-52.46
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C2	REAL300017839710	0	34	-1.0	-53.15	321.18	5.03	-48.12
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C2	REAL300017839711	0	33	-1.0	-52.50	306.70	5.05	-47.45
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839712	0	32	-1.0	-50.83	301.19	3.58	-47.25
CC1=NC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Br)N1C	REAL300017839713	0	33	-1.0	-54.34	315.13	3.62	-50.72
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C2	REAL300017839714	0	31	-1.0	-52.51	297.91	3.04	-49.47
COC(=O)C(C)(C)CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839715	0	38	-1.0	-53.06	323.26	4.09	-48.97
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839716	0	43	-1.0	-58.71	366.72	5.01	-53.70
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300017839717	0	36	-1.0	-50.98	327.05	4.61	-46.37
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839718	0	41	-1.0	-57.18	373.11	3.41	-53.77
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)OC(C)C	REAL300017839719	0	45	-1.0	-51.52	387.42	7.00	-44.52
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839720	0	42	-1.0	-58.58	378.18	3.39	-55.19
COC(=O)C1(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCC1	REAL300017839721	0	42	-1.0	-57.20	348.63	5.30	-51.90
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839722	0	37	-1.0	-50.87	346.37	4.41	-46.46
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1C(F)(F)F	REAL300017839723	0	36	-1.0	-50.43	328.71	5.70	-44.73
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC3=CC=C(Cl)C=C3)C=C1)C2	REAL300017839724	0	41	-1.0	-51.43	380.00	7.55	-43.88
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839725	0	39	-1.0	-56.56	351.51	5.61	-50.95
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C2	REAL300017839726	0	36	-1.0	-52.68	336.07	6.10	-46.58
COC(=O)C1(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCC1	REAL300017839727	0	39	-1.0	-56.38	333.61	4.60	-51.78
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C2	REAL300017839728	0	30	-1.0	-49.08	307.13	4.37	-44.71
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839729	0	43	-1.0	-54.80	384.42	4.54	-50.26
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839730	0	46	-1.0	-56.86	406.28	5.47	-51.39
COC(=O)C1(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCCC1	REAL300017839731	0	45	-1.0	-56.48	360.83	5.66	-50.82
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839732	0	38	-1.0	-55.78	343.24	5.21	-50.57
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300017839733	1	32	-1.0	-59.48	301.80	3.11	-56.37
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNC3=CC=CC=C31)C2	REAL300017839734	0	34	-1.0	-57.31	308.46	4.13	-53.18
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=C2	REAL300017839735	0	43	-1.0	-57.00	374.36	8.01	-48.99
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C2	REAL300017839736	0	33	-1.0	-55.20	329.56	5.90	-49.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C2	REAL300017839737	0	33	-1.0	-56.06	320.44	5.50	-50.56
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300017839738	0	34	-1.0	-55.61	318.12	4.25	-51.36
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839739	0	40	-1.0	-53.82	348.91	6.48	-47.34
CC(C)(CCS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CC1	REAL300017839740	0	42	-1.0	-51.92	338.60	5.61	-46.31
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C2	REAL300017839741	0	34	-1.0	-53.19	320.41	5.80	-47.39
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCCC1=CC=CC=C1)C2	REAL300017839742	0	39	-1.0	-54.07	341.09	6.45	-47.62
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C(C(N)=O)O1	REAL300017839744	0	34	-1.0	-56.84	299.34	-0.75	-57.59
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839748	0	39	-1.0	-50.26	327.31	6.71	-43.55
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=NOC3=C1CCCC3)C2	REAL300017839749	0	39	-1.0	-55.22	336.79	4.87	-50.35
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC=C1C(F)F)C2	REAL300017839750	0	30	-1.0	-53.17	287.87	4.33	-48.84
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C2	REAL300017839751	0	36	-1.0	-54.80	326.01	5.74	-49.06
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839752	0	46	-1.0	-54.92	387.24	6.88	-48.04
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=CC=NC=C31)C2	REAL300017839753	0	35	-1.0	-58.96	310.88	4.70	-54.26
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300017839754	0	50	-1.0	-57.84	399.70	6.59	-51.25
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839755	0	37	-1.0	-54.60	335.70	4.37	-50.23
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300017839756	0	44	-1.0	-54.18	369.82	4.25	-49.93
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3CCN(C(=O)C4CC4)C3=C1)C2	REAL300017839757	0	45	-1.0	-66.43	384.94	6.84	-59.59
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300017839758	0	44	-1.0	-66.31	375.07	6.12	-60.19
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(C3CCC3)N=C1)C2	REAL300017839759	0	37	-1.0	-54.68	324.15	3.87	-50.81
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C2	REAL300017839760	0	37	-1.0	-51.60	313.47	3.72	-47.88
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C2	REAL300017839761	0	40	-1.0	-50.85	332.59	4.39	-46.46
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C(C3=CC=CC=C3)S1)C2	REAL300017839769	0	36	-1.0	-52.64	341.41	5.09	-47.55
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3NC(=O)COC3=C1)C2	REAL300017839770	0	36	-1.0	-55.86	324.99	1.41	-54.45
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Br)C=CO1)C2	REAL300017839771	1	27	-1.0	-51.08	278.14	2.77	-48.31
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3CCCCN13)C2	REAL300017839772	0	37	-1.0	-54.42	312.87	4.10	-50.32
COC1=C(F)C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300017839773	0	34	-1.0	-51.29	320.45	3.73	-47.56
COC1=CC(F)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300017839774	0	34	-1.0	-51.21	308.03	3.31	-47.90
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(C)C	REAL300017839775	0	55	-1.0	-51.85	448.73	8.80	-43.05
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300017839776	0	46	-1.0	-51.09	375.20	6.18	-44.91
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839777	0	40	-1.0	-54.06	349.56	5.56	-48.50
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(C)C	REAL300017839778	0	53	-1.0	-54.09	439.72	6.65	-47.44
CC1=CSC(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839779	0	33	-1.0	-49.92	294.62	4.77	-45.15
CC1CC2=CC=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2O1	REAL300017839780	0	38	-1.0	-54.40	324.55	4.84	-49.56
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300017839781	0	38	-1.0	-51.30	343.23	3.85	-47.45
N#CC1(C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300017839782	0	38	-1.0	-56.74	342.81	6.39	-50.35
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839783	0	34	-1.0	-51.98	312.79	4.82	-47.16
CC1=C(Br)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C)S1	REAL300017839784	0	33	-1.0	-51.57	313.75	5.45	-46.12
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Br)=C1	REAL300017839785	0	33	-1.0	-50.86	318.76	6.18	-44.68
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300017839786	0	47	-1.0	-60.26	384.23	6.29	-53.97
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=CC3=C1OCCO3)C2	REAL300017839787	0	36	-1.0	-53.99	324.14	4.68	-49.31
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300017839788	0	44	-1.0	-65.89	373.80	5.82	-60.07
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC=C1Cl)C2	REAL300017839789	0	27	-1.0	-52.12	280.09	3.61	-48.51
CN1N=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839790	0	30	-1.0	-50.87	293.34	2.29	-48.58
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C2	REAL300017839791	0	32	-1.0	-49.72	308.67	3.36	-46.36
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839792	0	35	-1.0	-61.88	313.23	3.75	-58.13
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1C[C@@H]3CCC[C@@H]3C1)C2	REAL300017839793	0	39	-1.0	-50.48	319.81	4.12	-46.36
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNC3=CC(Br)=CC=C13)C2	REAL300017839794	0	34	-1.0	-56.19	329.74	4.73	-51.46
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=NON=C3C=C1)C2	REAL300017839795	0	31	-1.0	-50.23	289.17	2.97	-47.26
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=CC=C3S1)C2	REAL300017839796	0	33	-1.0	-52.13	313.40	5.62	-46.51
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNC3=C(Br)C=CC=C13)C2	REAL300017839797	0	34	-1.0	-54.43	329.74	4.72	-49.71
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3NC=C(Cl)C=C13)C2	REAL300017839798	0	33	-1.0	-58.76	319.44	3.89	-54.87
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839799	0	37	-1.0	-51.75	323.32	3.89	-47.86
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1F	REAL300017839800	0	39	-1.0	-48.78	326.04	6.41	-42.37
COC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1OC	REAL300017839801	0	38	-1.0	-56.27	332.12	3.97	-52.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3OCCNC(=O)C3=C1)C2	REAL300017839802	0	39	-1.0	-58.13	342.59	1.41	-56.72
N#CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300017839803	0	31	-1.0	-53.44	315.02	5.07	-48.37
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=COC3=CC=CC=C31)C2	REAL300017839804	0	33	-1.0	-54.33	304.07	4.46	-49.87
COC1=CC=C(F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1OC	REAL300017839805	0	38	-1.0	-55.17	332.59	4.48	-50.69
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839806	1	33	-1.0	-49.82	333.17	3.56	-46.26
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(I)S1)C2	REAL300017839807	0	27	-1.0	-48.61	294.41	4.38	-44.23
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2CCCC2)=N1	REAL300017839808	0	43	-1.0	-54.50	362.27	5.03	-49.47
N#CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C2S1	REAL300017839809	0	34	-1.0	-55.02	323.09	6.02	-49.00
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2CC2)=N1	REAL300017839811	0	37	-1.0	-54.51	329.68	4.10	-50.41
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)CC1=C(Cl)C=CC=C1Cl)C2	REAL300017839812	0	32	-1.0	-49.66	306.62	7.88	-41.78
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C2	REAL300017839813	0	34	-1.0	-53.00	313.76	3.76	-49.24
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNC3=CC=C(Br)C=C13)C2	REAL300017839814	0	34	-1.0	-58.86	329.79	4.74	-54.12
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(F)C=CC3=C1OCO3)C2	REAL300017839815	0	33	-1.0	-54.26	303.96	3.39	-50.87
CN1N=NC2=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=CC=C21	REAL300017839816	0	35	-1.0	-59.29	312.18	2.69	-56.60
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300017839818	0	36	-1.0	-48.94	328.49	6.27	-42.67
CC1(C)CCCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300017839819	0	41	-1.0	-50.95	329.48	4.63	-46.32
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC(F)=CC(Cl)=C3OC1)C2	REAL300017839820	0	36	-1.0	-52.04	342.78	5.31	-46.73
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C3C=COC3=C(F)C=C1)C2	REAL300017839821	0	33	-1.0	-53.31	308.48	4.55	-48.76
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2CCC2)=N1	REAL300017839822	0	40	-1.0	-54.17	346.93	4.56	-49.61
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839823	0	48	-1.0	-50.53	385.14	8.07	-42.46
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C2	REAL300017839824	0	36	-1.0	-53.34	345.76	6.05	-47.29
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)SC=C1)C2	REAL300017839825	0	27	-1.0	-51.97	280.78	3.69	-48.28
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(CC3CCC3)N=C1)C2	REAL300017839826	0	40	-1.0	-56.18	348.64	4.82	-51.36
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(C3CC3)C=CS1)C2	REAL300017839827	0	34	-1.0	-52.19	307.52	4.95	-47.24
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C2	REAL300017839828	0	41	-1.0	-52.98	373.29	6.96	-46.02
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839829	0	43	-1.0	-58.90	364.38	2.59	-56.31
COC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=NC=CC=C2C=C1	REAL300017839830	0	39	-1.0	-63.75	338.31	5.41	-58.34
CCCC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839831	0	39	-1.0	-51.91	338.95	6.39	-45.52
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839832	0	36	-1.0	-55.13	327.49	2.50	-52.63
N#CC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839833	0	31	-1.0	-56.83	299.23	4.53	-52.30
CN1N=C2CCCC2=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839834	0	37	-1.0	-53.05	319.08	3.66	-49.39
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300017839835	0	34	-1.0	-51.17	330.71	5.53	-45.64
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C=C1	REAL300017839836	0	42	-1.0	-54.39	375.23	7.09	-47.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C2	REAL300017839837	0	39	-1.0	-56.18	363.57	6.77	-49.41
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839838	0	39	-1.0	-50.48	320.68	4.14	-46.34
CC(C)(C)N1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300017839839	0	39	-1.0	-55.08	339.09	3.89	-51.19
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C2	REAL300017839840	0	37	-1.0	-53.64	323.58	3.24	-50.40
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN=C1C(F)(F)F	REAL300017839841	0	35	-1.0	-52.74	325.49	3.99	-48.75
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C2	REAL300017839842	0	33	-1.0	-49.55	319.65	5.25	-44.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C2	REAL300017839843	0	30	-1.0	-52.93	292.86	4.60	-48.33
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C2	REAL300017839844	0	30	-1.0	-52.01	306.33	4.29	-47.72
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CCC(F)(F)CC1)C2	REAL300017839845	0	35	-1.0	-50.58	300.13	3.33	-47.25
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C2	REAL300017839846	0	33	-1.0	-49.56	326.17	5.60	-43.96
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C2	REAL300017839847	0	33	-1.0	-53.87	293.21	5.44	-48.43
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839848	0	41	-1.0	-60.28	359.15	6.21	-54.07
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=CC=C3CCC1)C2	REAL300017839849	0	41	-1.0	-51.40	342.95	7.26	-44.14
CC1(C)OC(=O)C2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300017839850	0	40	-1.0	-61.16	354.76	5.87	-55.29
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC(Cl)=CC=C3OC1)C2	REAL300017839851	0	36	-1.0	-51.51	336.99	5.21	-46.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CC3=CC=CC=C3C1)C2	REAL300017839852	0	36	-1.0	-51.56	317.01	4.63	-46.93
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839853	0	35	-1.0	-54.66	333.83	4.61	-50.05
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839854	0	40	-1.0	-51.28	370.71	4.95	-46.33
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(N3C(=O)CCC3=O)N=C1)C2	REAL300017839855	0	39	-1.0	-62.51	348.66	4.14	-58.37
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C2	REAL300017839856	0	30	-1.0	-54.29	290.71	4.47	-49.82
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(C3CC3)=C1)C2	REAL300017839857	0	37	-1.0	-51.56	323.80	6.28	-45.28
COC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=CS1	REAL300017839858	0	31	-1.0	-52.45	289.43	2.73	-49.72
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C2	REAL300017839859	0	33	-1.0	-52.07	302.59	5.68	-46.39
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839860	0	36	-1.0	-52.20	340.73	4.55	-47.65
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C3CC3)C=C1F)C2	REAL300017839861	0	37	-1.0	-51.20	321.25	6.04	-45.16
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C2	REAL300017839862	0	40	-1.0	-50.02	336.47	4.67	-45.35
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839863	0	39	-1.0	-51.34	328.04	3.66	-47.68
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839864	0	39	-1.0	-57.03	345.26	1.74	-55.29
CS(=O)(=O)C1=CSC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839865	0	33	-1.0	-60.66	328.20	0.68	-59.98
CN(C1CCCCCC1)S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839866	0	44	-1.0	-50.64	342.02	5.12	-45.52
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839867	0	34	-1.0	-51.89	307.24	4.17	-47.72
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2CCOCC2)=N1	REAL300017839868	0	44	-1.0	-54.40	371.76	3.26	-51.14
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839869	0	36	-1.0	-52.68	327.77	5.71	-46.97
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C2	REAL300017839870	0	34	-1.0	-54.40	313.83	3.76	-50.64
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CCC(C3=CC=CC=C3)CC1)C2	REAL300017839871	0	45	-1.0	-51.36	370.08	6.85	-44.51
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300017839872	0	31	-1.0	-50.95	298.35	2.63	-48.32
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=NC=CC=C12	REAL300017839873	0	41	-1.0	-60.48	341.37	6.26	-54.22
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C2	REAL300017839874	0	38	-1.0	-53.36	326.08	4.12	-49.24
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(CCF)N=C1)C2	REAL300017839875	0	33	-1.0	-53.22	307.23	2.89	-50.33
CCOCC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839876	0	40	-1.0	-53.32	351.48	4.87	-48.45
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839879	0	40	-1.0	-52.64	346.52	5.01	-47.63
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(C3CCCCC3)N=C1)C2	REAL300017839880	0	43	-1.0	-53.97	360.94	5.13	-48.84
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC3=CC=CC=C3)C=C1)C2	REAL300017839881	0	41	-1.0	-52.64	362.99	7.04	-45.60
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(C)=C1Br	REAL300017839882	0	36	-1.0	-50.49	331.96	5.93	-44.56
CCN1N=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300017839883	0	33	-1.0	-50.66	305.50	2.68	-47.98
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C2	REAL300017839884	0	34	-1.0	-53.17	324.43	5.89	-47.28
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=C2	REAL300017839885	0	36	-1.0	-52.06	359.65	5.41	-46.65
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C2	REAL300017839887	0	32	-1.0	-51.57	306.83	3.05	-48.52
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(F)C=CC3=CN=C(Cl)C=C31)C2	REAL300017839888	0	35	-1.0	-58.43	330.99	5.37	-53.06
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=CN=C(Cl)C=C31)C2	REAL300017839889	0	35	-1.0	-59.70	327.71	5.18	-54.52
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C12	REAL300017839890	0	39	-1.0	-54.27	333.28	7.06	-47.21
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839891	0	34	-1.0	-53.21	325.00	5.17	-48.04
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C2	REAL300017839892	0	37	-1.0	-54.15	332.44	4.55	-49.60
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300017839893	0	44	-1.0	-54.39	379.15	5.70	-48.69
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C2	REAL300017839894	0	30	-1.0	-50.07	294.37	4.48	-45.59
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300017839895	0	36	-1.0	-63.21	337.11	0.36	-62.85
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=CC=C2)=N1	REAL300017839896	0	40	-1.0	-57.73	347.46	5.59	-52.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C2	REAL300017839897	0	36	-1.0	-55.06	345.46	1.60	-53.46
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C2	REAL300017839898	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=CC(Br)=C1)C2	REAL300017839899	0	34	-1.0	-52.44	327.46	6.00	-46.44
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C2	REAL300017839900	0	34	-1.0	-51.50	327.46	6.00	-45.50
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C3CC3)S1)C2	REAL300017839901	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	REAL300017839902	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	REAL300017839903	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-]	REAL300017839904	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	REAL300017839905	0	41	-1.0	-52.29	349.68	5.20	-47.09
COC(=O)C=CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839906	0	40	-1.0	-54.91	360.96	6.08	-48.83
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NN1	REAL300017839907	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	REAL300017839908	0	35	-1.0	-53.86	324.42	2.94	-50.92
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	REAL300017839909	0	47	-1.0	-48.85	340.55	8.80	-40.05
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1C[C@@H]3CCCC[C@@H]3C1)C2	REAL300017839910	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	REAL300017839911	0	41	-1.0	-52.32	354.72	6.08	-46.24
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C2	REAL300017839912	0	41	-1.0	-51.33	348.86	10.93	-40.40
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)N1CCC(CC3=CC=CC=C3)CC1)C2	REAL300017839913	0	47	-1.0	-49.49	369.55	10.38	-39.11
CC(C)(C)OC(=O)N1CCN(C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300017839914	0	48	-1.0	-50.23	374.21	6.93	-43.30
CN(C(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CCS(=O)(=O)C1	REAL300017839915	0	37	-1.0	-56.48	310.81	2.85	-53.63
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839916	0	49	-1.0	-52.47	388.69	7.39	-45.08
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839917	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	REAL300017839918	0	34	-1.0	-53.99	321.29	4.75	-49.24
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C2	REAL300017839919	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	REAL300017839920	0	36	-1.0	-53.21	318.70	4.13	-49.08
CN1C=CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300017839921	0	37	-1.0	-55.10	328.27	5.95	-49.15
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C2	REAL300017839922	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	REAL300017839923	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	REAL300017839924	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	REAL300017839925	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	REAL300017839926	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	REAL300017839927	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	REAL300017839928	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	REAL300017839929	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	REAL300017839930	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	REAL300017839931	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	REAL300017839932	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	REAL300017839933	0	36	-1.0	-56.79	308.53	6.08	-50.71
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3NC(=O)C(F)(F)C3=C1)C2	REAL300017839934	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	REAL300017839935	0	31	-1.0	-52.29	308.89	3.14	-49.15
COCN1N=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839936	0	34	-1.0	-53.00	300.99	0.03	-52.97
CC1=CC(Cl)=NC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839937	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	REAL300017839938	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	REAL300017839939	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	REAL300017839940	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	REAL300017839941	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	REAL300017839942	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	REAL300017839943	0	40	-1.0	-50.94	365.43	8.11	-42.83
CCC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300017839944	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	REAL300017839945	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	REAL300017839946	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	REAL300017839947	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	REAL300017839948	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	REAL300017839949	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	REAL300017839950	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	REAL300017839951	0	41	-1.0	-50.24	323.02	4.11	-46.13
CC(=O)OCC1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300017839952	0	44	-1.0	-56.85	366.13	4.80	-52.05
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	REAL300017839953	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)N1CCN(CC(F)F)CC1)C2	REAL300017839954	0	40	-1.0	-52.35	334.66	1.90	-50.45
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=N1	REAL300017839955	0	36	-1.0	-51.00	316.47	1.75	-49.25
COC1=NC=C(C)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839956	0	36	-1.0	-53.35	313.79	2.08	-51.27
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC3CCOCC3)C=C1)C2	REAL300017839957	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	REAL300017839958	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	REAL300017839959	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	REAL300017839960	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	REAL300017839961	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	REAL300017839962	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)C=CC1=CC=C(Cl)C=C1Cl)C2	REAL300017839963	0	34	-1.0	-51.76	337.43	6.31	-45.45
COC(=O)C1=NC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300017839964	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	REAL300017839965	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	REAL300017839966	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	REAL300017839967	0	37	-1.0	-51.95	329.81	5.45	-46.50
COC1=NOC(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839968	0	33	-1.0	-56.44	306.00	0.45	-55.99
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CCC3=CC=CN=C31)C2	REAL300017839969	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	REAL300017839970	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	REAL300017839971	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	REAL300017839972	0	32	-1.0	-52.72	301.88	3.21	-49.51
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839973	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	REAL300017839974	0	37	-1.0	-53.93	334.44	6.38	-47.55
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)N1CCC(C(F)(F)F)CC1)C2	REAL300017839975	0	37	-1.0	-48.24	309.12	7.10	-41.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNC3=CC(Cl)=CC=C13)C2	REAL300017839976	0	34	-1.0	-56.06	325.17	4.63	-51.43
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)N1CC=C(Br)CC1)C2	REAL300017839977	0	32	-1.0	-47.81	285.00	6.70	-41.11
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C2	REAL300017839978	0	33	-1.0	-53.26	304.48	4.80	-48.46
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839979	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	REAL300017839980	0	37	-1.0	-50.84	305.71	2.31	-48.53
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C2	REAL300017839982	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	REAL300017839983	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	REAL300017839984	0	34	-1.0	-49.32	318.31	3.74	-45.58
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(F)N(C3=CC=CC=C3)N=C1)C2	REAL300017839985	0	37	-1.0	-52.75	337.73	5.08	-47.67
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C(F)F)=C1	REAL300017839986	0	37	-1.0	-55.42	321.16	4.85	-50.57
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839987	0	36	-1.0	-51.01	331.22	2.39	-48.62
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=NC=CC=C12	REAL300017839988	0	38	-1.0	-58.31	323.37	5.91	-52.40
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)N1CC(OCC3=CC=CC=C3)C1)C2	REAL300017839989	0	42	-1.0	-50.98	357.51	7.39	-43.59
CC(C)(C)OC(=O)NC1CN(C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300017839990	0	45	-1.0	-54.16	367.91	4.27	-49.89
CC(=O)OCC1CCN(C(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300017839991	0	43	-1.0	-52.80	348.62	7.75	-45.05
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CC=C(Br)CC1)C2	REAL300017839992	0	33	-1.0	-50.99	300.56	3.68	-47.31
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839994	0	43	-1.0	-55.55	364.58	6.19	-49.36
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C(Cl)S1	REAL300017839995	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=CNC3=CC(C(F)(F)F)=CC=C31)C2	REAL300017839996	0	37	-1.0	-56.58	347.43	5.12	-51.46
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C3CCCCN3N=C1)C2	REAL300017839997	0	37	-1.0	-51.12	318.51	3.53	-47.59
CN1C=C(S(=O)(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C=N1	REAL300017839998	0	45	-1.0	-55.66	359.57	5.72	-49.94
CC1=CC=C(S(=O)(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C=C1	REAL300017840000	0	48	-1.0	-53.21	373.15	8.61	-44.60
CC1=CC=C(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300017859964	0	40	-1.0	-50.20	325.84	5.21	-44.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300017859965	0	38	-1.0	-53.20	317.66	4.84	-48.36
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(F)=C1F	REAL300017859966	0	40	-1.0	-48.54	341.00	4.40	-44.14
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017859967	0	46	-1.0	-50.67	359.04	5.08	-45.59
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017859968	0	52	-1.0	-46.24	361.28	5.71	-40.53
CC1=NC2=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CC=C2C=C1	REAL300017859969	0	42	-1.0	-54.68	337.83	4.95	-49.73
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017859970	0	42	-1.0	-55.48	341.24	5.74	-49.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017859971	0	45	-1.0	-48.70	351.43	2.09	-46.61
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017859972	0	48	-1.0	-50.69	398.98	4.85	-45.84
CCCN1C=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017859973	0	40	-1.0	-51.96	323.68	4.98	-46.98
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017859974	0	35	-1.0	-46.44	323.13	4.76	-41.68
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(C#N)SC=C1	REAL300017859975	0	32	-1.0	-51.85	287.52	3.20	-48.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1CCC(F)CC1	REAL300017859976	0	43	-1.0	-51.12	322.84	5.01	-46.11
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1Cl	REAL300017859977	0	37	-1.0	-45.90	310.88	4.76	-41.14
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017859978	0	40	-1.0	-52.74	323.64	4.65	-48.09
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2)=N1	REAL300017859979	0	43	-1.0	-48.72	361.63	5.13	-43.59
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1F	REAL300017859980	0	40	-1.0	-50.99	352.29	4.99	-46.00
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017859981	0	43	-1.0	-50.46	357.69	5.16	-45.30
CC1=C(Br)C=CC=C1CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017859982	0	40	-1.0	-48.96	331.83	5.65	-43.31
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017859983	0	37	-1.0	-48.40	319.03	5.02	-43.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017859984	0	34	-1.0	-44.71	313.59	4.78	-39.93
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017859985	0	41	-1.0	-54.12	331.32	1.10	-53.02
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300017859986	0	59	-1.0	-47.19	454.99	8.60	-38.59
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300017859987	0	49	-1.0	-52.05	385.28	6.01	-46.04
CCC1CCN(S(=O)(=O)NC(C)(C)CCC(=O)[O-])CC1	REAL300017859988	0	45	-1.0	-46.60	331.94	4.58	-42.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017859989	0	40	-1.0	-51.49	327.56	5.39	-46.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1F	REAL300017859990	0	40	-1.0	-50.28	327.44	5.42	-44.86
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017859991	0	40	-1.0	-49.32	334.55	5.75	-43.57
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017859992	0	38	-1.0	-46.54	332.38	4.15	-42.39
COC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(=O)NCCC2	REAL300017859993	0	49	-1.0	-54.99	381.50	2.57	-52.42
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S2)C1	REAL300017859994	0	45	-1.0	-52.95	363.95	4.21	-48.74
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017859995	0	41	-1.0	-49.06	349.62	6.18	-42.88
COC1CCN(S(=O)(=O)NC(C)(C)CCC(=O)[O-])CC1	REAL300017859996	0	43	-1.0	-47.92	320.14	1.94	-45.98
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017859997	0	37	-1.0	-48.12	322.34	5.13	-42.99
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017859998	0	47	-1.0	-49.11	366.27	5.39	-43.72
CC(CC(F)(F)F)CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017859999	0	39	-1.0	-52.75	312.00	4.01	-48.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017860000	0	41	-1.0	-53.23	342.84	5.53	-47.70
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017860259	0	37	-1.0	-49.20	308.02	4.62	-44.58
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017860260	0	37	-1.0	-45.21	330.88	5.17	-40.04
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017860261	0	37	-1.0	-47.15	321.51	4.82	-42.33
CC1=CC(Br)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860262	0	37	-1.0	-46.01	318.13	4.94	-41.07
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860263	0	45	-1.0	-52.22	332.85	1.08	-51.14
CSC1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860264	0	38	-1.0	-49.80	312.18	4.84	-44.96
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860265	0	45	-1.0	-58.54	355.50	3.61	-54.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017860266	0	46	-1.0	-52.80	366.58	3.68	-49.12
COC1=C(F)C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017860267	0	40	-1.0	-48.19	338.86	4.47	-43.72
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017860268	0	44	-1.0	-49.88	366.59	3.08	-46.80
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(OC)=C1	REAL300017860269	0	44	-1.0	-50.27	359.93	4.22	-46.05
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860270	0	37	-1.0	-44.92	318.13	5.17	-39.75
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017860271	0	42	-1.0	-49.01	335.71	5.72	-43.29
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017860272	0	42	-1.0	-55.14	339.01	5.04	-50.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017860273	0	40	-1.0	-56.47	319.41	0.30	-56.17
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300017860274	0	44	-1.0	-51.78	355.64	4.58	-47.20
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017860275	0	39	-1.0	-53.95	323.02	3.81	-50.14
COC1=CC(F)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(F)=C1	REAL300017860276	0	38	-1.0	-49.34	311.69	3.22	-46.12
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1	REAL300017860277	0	44	-1.0	-47.34	343.55	4.83	-42.51
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860278	0	42	-1.0	-54.09	350.79	-0.18	-54.27
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O	REAL300017860279	0	36	-1.0	-58.75	303.37	-0.92	-59.67
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860280	0	43	-1.0	-54.04	347.51	5.28	-48.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017860281	0	38	-1.0	-50.13	315.22	3.86	-46.27
CSC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300017860282	0	38	-1.0	-47.56	314.84	4.70	-42.86
CCCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300017860283	0	46	-1.0	-48.51	372.81	6.06	-42.45
CCC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300017860284	0	44	-1.0	-53.35	350.90	3.36	-49.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017860285	0	40	-1.0	-52.55	338.71	5.56	-46.99
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860286	0	45	-1.0	-48.68	343.50	6.03	-42.65
CCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])N=C1C	REAL300017860287	0	40	-1.0	-52.86	322.23	3.95	-48.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017860288	0	33	-1.0	-47.82	301.50	2.92	-44.90
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017860289	0	40	-1.0	-50.37	319.20	3.33	-47.04
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017860290	0	39	-1.0	-49.57	311.66	4.16	-45.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017860291	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	REAL300017860292	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	REAL300017860293	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	REAL300017860294	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	REAL300017860295	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	REAL300017860296	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	REAL300017860297	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	REAL300017860298	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	REAL300017860299	0	43	-1.0	-48.57	357.11	6.50	-42.07
COCC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860300	0	41	-1.0	-48.89	330.90	3.48	-45.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017860301	0	36	-1.0	-47.05	320.70	5.16	-41.89
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(C(=O)OC)S1	REAL300017860302	0	43	-1.0	-51.54	372.48	5.02	-46.52
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860303	0	40	-1.0	-50.91	326.44	5.30	-45.61
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017860304	0	37	-1.0	-49.79	312.71	4.94	-44.85
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017860305	0	46	-1.0	-59.52	372.11	2.16	-57.36
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017860306	0	41	-1.0	-48.98	345.11	4.29	-44.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017860307	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	REAL300017860308	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	REAL300017860339	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	REAL300017860340	0	42	-1.0	-52.71	337.44	4.28	-48.43
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017860341	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-]	REAL300017860342	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	REAL300017860343	0	37	-1.0	-50.80	326.83	5.42	-45.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300017860344	0	35	-1.0	-48.41	310.24	4.77	-43.64
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300017860345	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	REAL300017860346	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	REAL300017860347	0	38	-1.0	-46.69	334.98	4.23	-42.46
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860348	0	46	-1.0	-45.90	333.72	6.97	-38.93
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860349	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	REAL300017860350	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-]	REAL300017860351	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	REAL300017860352	0	45	-1.0	-48.96	381.57	7.06	-41.90
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017860353	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	REAL300017860354	0	40	-1.0	-59.09	360.15	5.50	-53.59
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1C	REAL300017860355	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	REAL300017860356	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-]	REAL300017860357	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-]	REAL300017860358	0	46	-1.0	-48.85	353.63	4.11	-44.74
CCOC(=O)N1CCC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])CC1	REAL300017860359	0	48	-1.0	-52.01	369.96	3.80	-48.21
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2)=CO1	REAL300017860360	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	REAL300017860361	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	REAL300017860362	0	37	-1.0	-48.96	306.01	4.35	-44.61
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017860363	0	37	-1.0	-48.40	300.68	2.33	-46.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCN12	REAL300017860364	0	38	-1.0	-51.91	302.46	2.94	-48.97
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017860365	0	42	-1.0	-48.36	329.54	4.38	-43.98
COC1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860366	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	REAL300017860367	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	REAL300017860368	0	43	-1.0	-51.93	352.52	5.11	-46.82
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017860369	0	41	-1.0	-47.93	321.97	5.65	-42.28
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N2)C=C1	REAL300017860370	0	44	-1.0	-50.29	356.34	5.41	-44.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017860371	0	52	-1.0	-56.03	412.94	5.83	-50.20
CC(C)(CCC(=O)[O-])NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017860372	0	52	-1.0	-55.13	414.29	5.89	-49.24
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017860373	0	49	-1.0	-51.44	399.69	5.12	-46.32
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300017860374	0	36	-1.0	-48.41	313.37	3.98	-44.43
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C21	REAL300017860375	0	45	-1.0	-58.12	354.38	4.69	-53.43
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017860376	0	34	-1.0	-48.54	307.25	4.90	-43.64
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017860377	0	34	-1.0	-45.50	310.30	4.73	-40.77
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860378	0	44	-1.0	-49.91	337.75	5.60	-44.31
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1C#N	REAL300017860379	0	38	-1.0	-47.73	314.64	4.56	-43.17
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300017860380	0	40	-1.0	-50.07	333.49	4.34	-45.73
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860381	0	38	-1.0	-48.34	322.33	3.95	-44.39
COC1=CC=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860382	0	41	-1.0	-48.41	321.71	3.90	-44.51
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300017860383	0	35	-1.0	-47.54	315.17	4.57	-42.97
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300017860384	0	41	-1.0	-47.25	337.18	4.39	-42.86
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300017860385	0	40	-1.0	-45.99	351.49	4.42	-41.57
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300017860386	0	41	-1.0	-50.87	334.84	2.67	-48.20
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1OC	REAL300017860387	0	42	-1.0	-48.29	348.16	3.58	-44.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017860388	0	38	-1.0	-48.81	319.65	3.29	-45.52
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017860389	0	37	-1.0	-46.16	319.83	4.72	-41.44
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300017860390	0	45	-1.0	-52.89	366.21	0.61	-52.28
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C2S1	REAL300017860391	0	46	-1.0	-49.68	389.34	6.72	-42.96
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300017860392	0	38	-1.0	-53.36	318.07	4.92	-48.44
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(Br)=C1	REAL300017860393	0	38	-1.0	-48.32	322.43	3.84	-44.48
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300017860394	0	39	-1.0	-57.01	332.34	-0.74	-57.75
CC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-])OCO2	REAL300017860395	0	40	-1.0	-47.66	317.13	3.16	-44.50
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860396	0	40	-1.0	-52.11	327.37	4.99	-47.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017860397	0	34	-1.0	-46.19	306.30	4.88	-41.31
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860398	0	40	-1.0	-44.94	309.05	5.30	-39.64
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017860399	0	34	-1.0	-45.94	309.21	5.01	-40.93
COC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-])OCC(=O)N2	REAL300017860400	0	44	-1.0	-51.29	355.93	0.75	-50.54
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)S1	REAL300017860401	0	32	-1.0	-47.16	286.62	3.15	-44.01
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017860402	0	35	-1.0	-52.97	301.82	2.11	-50.86
COC1=CN=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860403	0	37	-1.0	-47.98	298.99	1.14	-46.84
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017860404	0	34	-1.0	-49.91	303.22	4.41	-45.50
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1OC	REAL300017860405	0	44	-1.0	-50.86	356.78	4.39	-46.47
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300017860406	0	38	-1.0	-52.27	325.90	0.96	-51.31
CCOC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860407	0	41	-1.0	-49.22	327.19	3.97	-45.25
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300017860408	0	45	-1.0	-51.79	354.85	5.03	-46.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300017860409	0	38	-1.0	-48.54	332.06	4.84	-43.70
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300017860447	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-]	REAL300017860448	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	REAL300017860449	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	REAL300017860450	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-]	REAL300017860451	0	39	-1.0	-47.36	318.71	4.86	-42.50
CC1=CC=C(Br)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860452	0	37	-1.0	-48.03	314.29	5.20	-42.83
COC(=O)C1=COC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860453	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	REAL300017860454	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	REAL300017860455	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	REAL300017860456	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	REAL300017860457	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	REAL300017860458	0	44	-1.0	-57.38	348.72	3.45	-53.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCC(F)(F)F	REAL300017860459	0	36	-1.0	-50.79	300.68	3.44	-47.35
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017860460	0	39	-1.0	-55.95	323.00	3.87	-52.08
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017860461	0	40	-1.0	-53.65	321.74	1.39	-52.26
CN1CCCC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C21	REAL300017860462	0	46	-1.0	-48.32	349.84	4.22	-44.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017860463	0	36	-1.0	-47.58	309.15	2.90	-44.68
CC1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860464	0	37	-1.0	-48.26	310.91	5.04	-43.22
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860465	0	42	-1.0	-53.21	329.32	4.12	-49.09
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN=C1Cl	REAL300017860466	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	REAL300017860467	0	40	-1.0	-51.61	326.05	2.68	-48.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017860468	0	33	-1.0	-49.39	295.34	3.48	-45.91
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300017860469	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	REAL300017860470	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	REAL300017860471	0	42	-1.0	-49.29	334.53	2.27	-47.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300017860472	0	35	-1.0	-48.66	309.94	4.72	-43.94
CN1C=NC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300017860473	0	40	-1.0	-53.43	323.05	5.03	-48.40
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300017860474	0	42	-1.0	-53.40	328.38	5.64	-47.76
CCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1CC	REAL300017860475	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-]	REAL300017860476	0	42	-1.0	-45.96	331.08	6.04	-39.92
CC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1Cl	REAL300017860477	0	37	-1.0	-48.77	308.29	4.95	-43.82
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(C)O1	REAL300017860478	0	40	-1.0	-48.37	334.02	3.28	-45.09
CC1=C(C)SC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860479	0	37	-1.0	-47.02	307.13	4.00	-43.02
CC1=CC=CC(F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860480	0	37	-1.0	-48.82	294.47	4.73	-44.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300017860481	0	35	-1.0	-45.79	298.10	1.52	-44.27
CCC1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300017860482	0	36	-1.0	-47.35	305.01	2.34	-45.01
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017860483	0	40	-1.0	-54.52	324.23	5.16	-49.36
COC(=O)C1=NSC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860484	0	36	-1.0	-52.61	308.49	2.60	-50.01
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])SC=N1	REAL300017860485	1	36	-1.0	-52.79	310.47	2.12	-50.67
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(C)=C1F	REAL300017860486	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	REAL300017860487	0	42	-1.0	-55.41	333.76	2.10	-53.31
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017860488	0	45	-1.0	-47.97	339.50	2.27	-45.70
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN1C	REAL300017860489	0	41	-1.0	-52.21	335.45	3.76	-48.45
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017860490	0	33	-1.0	-45.83	286.16	2.36	-43.47
CC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1F	REAL300017860491	0	37	-1.0	-50.07	302.98	4.52	-45.55
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300017860492	0	45	-1.0	-50.16	358.00	5.51	-44.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017860493	0	37	-1.0	-49.27	321.16	5.04	-44.23
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017860494	0	37	-1.0	-49.17	321.71	5.06	-44.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017860495	0	34	-1.0	-49.80	293.01	4.52	-45.28
CC1=CC(F)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860496	0	37	-1.0	-46.40	303.24	4.40	-42.00
COC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN=C1Cl	REAL300017860497	0	37	-1.0	-47.28	316.80	1.69	-45.59
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC(C#N)=CC=C1F	REAL300017860498	0	38	-1.0	-51.77	325.28	4.92	-46.85
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300017860499	0	39	-1.0	-48.50	326.16	2.40	-46.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017860500	0	33	-1.0	-48.49	291.40	3.02	-45.47
COCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300017860501	0	41	-1.0	-48.07	330.48	3.40	-44.67
COC1=CC(C#N)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860502	0	39	-1.0	-49.32	326.01	3.93	-45.39
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860503	0	40	-1.0	-48.60	346.89	4.82	-43.78
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017860504	0	37	-1.0	-48.91	321.17	1.88	-47.03
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300017860505	0	40	-1.0	-46.95	323.59	1.18	-45.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300017860506	0	43	-1.0	-58.77	360.60	1.86	-56.91
CC(=O)NC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1F	REAL300017860507	0	41	-1.0	-53.88	335.18	2.66	-51.22
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C21	REAL300017860508	0	48	-1.0	-59.07	364.00	5.05	-54.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017860509	0	37	-1.0	-50.64	303.61	2.40	-48.24
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860510	0	40	-1.0	-45.83	331.36	5.63	-40.20
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860511	0	44	-1.0	-56.29	366.29	0.95	-55.34
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2CC1	REAL300017860512	0	51	-1.0	-54.36	388.98	5.73	-48.63
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(F)(F)F	REAL300017860513	0	43	-1.0	-49.94	359.61	5.14	-44.80
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860514	0	43	-1.0	-47.53	349.36	6.25	-41.28
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017860515	0	37	-1.0	-47.84	312.82	5.13	-42.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017860516	0	37	-1.0	-47.69	317.81	5.84	-41.85
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860517	0	48	-1.0	-56.70	387.40	1.95	-54.75
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860518	0	47	-1.0	-52.12	382.13	5.02	-47.10
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1C	REAL300017860519	0	46	-1.0	-48.93	365.60	5.72	-43.21
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860520	0	46	-1.0	-51.98	374.26	6.02	-45.96
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1OC	REAL300017860521	0	45	-1.0	-52.58	371.34	3.51	-49.07
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(F)C=C1C	REAL300017860522	0	46	-1.0	-47.99	374.93	5.98	-42.01
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017860523	0	40	-1.0	-51.09	337.93	5.84	-45.25
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860524	0	43	-1.0	-50.25	359.40	5.39	-44.86
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017860525	0	44	-1.0	-49.42	350.05	7.16	-42.26
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300017860526	0	48	-1.0	-51.99	394.55	1.46	-50.53
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300017860527	0	37	-1.0	-49.47	316.05	5.05	-44.42
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN1C	REAL300017860528	0	46	-1.0	-50.69	376.29	4.87	-45.82
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017860529	0	38	-1.0	-50.10	322.50	4.44	-45.66
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017860530	0	37	-1.0	-48.10	307.59	4.53	-43.57
CC1=NC(Cl)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860531	0	36	-1.0	-46.37	303.85	3.10	-43.27
CC1=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(Br)N1C	REAL300017860532	0	37	-1.0	-51.25	318.61	3.55	-47.70
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017860533	0	35	-1.0	-47.40	297.95	2.41	-44.99
COC(=O)C(C)(C)CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860534	0	42	-1.0	-49.42	324.73	3.74	-45.68
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860535	0	47	-1.0	-57.24	367.78	4.59	-52.65
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(F)=C1	REAL300017860536	0	40	-1.0	-50.42	337.42	4.54	-45.88
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860537	0	45	-1.0	-52.86	376.63	3.02	-49.84
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)OC(C)C	REAL300017860538	0	49	-1.0	-49.20	387.46	6.47	-42.73
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300017860539	0	46	-1.0	-54.22	379.23	2.88	-51.34
COC(=O)C1(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])CCCC1	REAL300017860540	0	46	-1.0	-51.75	343.18	5.48	-46.27
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860541	0	41	-1.0	-46.84	347.37	3.88	-42.96
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1C(F)(F)F	REAL300017860542	0	40	-1.0	-46.12	328.61	5.15	-40.97
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017860543	0	45	-1.0	-47.17	381.77	7.07	-40.10
COC(=O)CC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860544	0	43	-1.0	-52.43	352.78	5.19	-47.24
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300017860545	0	44	-1.0	-50.23	320.43	5.30	-44.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300017860546	0	40	-1.0	-49.23	338.08	5.83	-43.40
COC(=O)C1(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])CCC1	REAL300017860547	0	43	-1.0	-52.16	335.03	4.22	-47.94
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017860548	0	34	-1.0	-46.12	307.54	3.90	-42.22
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860549	0	47	-1.0	-50.41	385.40	4.03	-46.38
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860550	0	50	-1.0	-50.16	407.26	4.95	-45.21
COC(=O)C1(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])CCCCC1	REAL300017860551	0	49	-1.0	-48.51	357.21	5.91	-42.60
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860552	0	42	-1.0	-51.75	343.77	4.66	-47.09
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300017860553	1	36	-1.0	-62.33	305.22	2.95	-59.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017860554	0	38	-1.0	-51.64	311.06	3.66	-47.98
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C2	REAL300017860555	0	47	-1.0	-50.83	375.31	7.49	-43.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017860556	0	37	-1.0	-50.20	332.04	5.60	-44.60
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017860557	0	37	-1.0	-50.94	322.92	5.19	-45.75
COC1=CC=C(Br)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1F	REAL300017860558	0	38	-1.0	-50.39	325.49	3.92	-46.47
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860559	0	44	-1.0	-49.68	351.31	6.12	-43.56
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC(C)(C)C1CC1	REAL300017860560	0	46	-1.0	-50.20	340.17	5.26	-44.94
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017860561	0	38	-1.0	-48.89	323.52	5.50	-43.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCC(C)(F)F	REAL300017860562	0	39	-1.0	-51.66	315.17	3.97	-47.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCC1=CC=CC=C1	REAL300017860563	0	43	-1.0	-52.37	342.64	6.11	-46.26
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C(C(N)=O)O1	REAL300017860565	0	38	-1.0	-50.24	315.68	-0.68	-50.92
CCCC1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860569	0	43	-1.0	-46.51	328.69	6.25	-40.26
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017860570	0	43	-1.0	-51.35	337.45	4.50	-46.85
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)F	REAL300017860571	0	34	-1.0	-47.79	291.03	3.99	-43.80
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017860572	0	40	-1.0	-51.68	327.61	5.39	-46.29
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860573	0	50	-1.0	-49.75	392.62	6.40	-43.35
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017860574	0	39	-1.0	-52.71	312.14	4.29	-48.42
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300017860575	0	54	-1.0	-54.62	401.21	6.04	-48.58
COC(=O)C1=CN(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860576	0	41	-1.0	-53.99	335.72	3.69	-50.30
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300017860577	0	48	-1.0	-49.61	370.14	3.74	-45.87
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017860578	0	49	-1.0	-60.28	385.32	6.33	-53.95
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C21	REAL300017860579	0	48	-1.0	-60.19	375.45	5.61	-54.58
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017860580	0	41	-1.0	-48.72	324.26	3.23	-45.49
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300017860581	0	41	-1.0	-46.82	322.85	3.41	-43.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017860582	0	44	-1.0	-46.50	339.83	4.18	-42.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017860590	0	40	-1.0	-48.80	341.48	4.70	-44.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017860591	0	40	-1.0	-49.79	326.15	0.89	-48.90
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CO1	REAL300017860592	1	31	-1.0	-47.29	277.98	2.58	-44.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCCN12	REAL300017860593	0	41	-1.0	-49.33	318.20	3.64	-45.69
COC1=C(F)C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300017860594	0	38	-1.0	-46.05	321.29	3.21	-42.84
COC1=CC(F)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300017860595	0	38	-1.0	-47.84	318.38	3.25	-44.59
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(C)C	REAL300017860596	0	59	-1.0	-47.12	449.09	8.29	-38.83
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300017860597	0	50	-1.0	-47.25	378.44	5.82	-41.43
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860598	0	44	-1.0	-48.36	350.46	5.11	-43.25
CC1=CSC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860599	0	37	-1.0	-46.02	294.12	4.18	-41.84
CC1CC2=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C2O1	REAL300017860600	0	42	-1.0	-51.33	333.31	4.31	-47.02
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300017860601	0	42	-1.0	-47.27	343.66	3.39	-43.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300017860602	0	42	-1.0	-53.00	343.67	5.87	-47.13
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860603	0	38	-1.0	-49.04	311.84	4.24	-44.80
CC1=C(Br)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(C)S1	REAL300017860604	0	37	-1.0	-46.55	319.45	5.04	-41.51
CC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(Br)=C1	REAL300017860605	0	37	-1.0	-47.91	321.17	5.68	-42.23
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C21	REAL300017860606	0	51	-1.0	-58.90	382.92	5.70	-53.20
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017860607	0	40	-1.0	-50.13	329.95	4.37	-45.76
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C21	REAL300017860608	0	48	-1.0	-59.45	374.02	5.29	-54.16
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC=C1Cl	REAL300017860609	0	31	-1.0	-47.62	282.75	3.25	-44.37
CN1N=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860610	0	34	-1.0	-46.00	296.57	1.73	-44.27
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017860611	0	36	-1.0	-45.85	308.57	2.86	-42.99
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860612	0	39	-1.0	-56.09	315.71	3.16	-52.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017860613	0	43	-1.0	-48.48	318.75	4.25	-44.23
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017860614	0	38	-1.0	-50.57	332.26	4.27	-46.30
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017860615	0	35	-1.0	-46.18	289.84	2.44	-43.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017860616	0	37	-1.0	-49.32	313.25	5.21	-44.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017860617	0	38	-1.0	-49.38	332.30	4.26	-45.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017860618	0	37	-1.0	-55.69	320.90	3.37	-52.32
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860619	0	41	-1.0	-47.10	325.92	3.44	-43.66
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1F	REAL300017860620	0	43	-1.0	-46.86	328.44	6.04	-40.82
COC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1OC	REAL300017860621	0	42	-1.0	-50.53	332.83	3.64	-46.89
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017860622	0	43	-1.0	-56.49	342.51	0.87	-55.62
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300017860623	0	35	-1.0	-48.55	315.18	4.57	-43.98
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300017860624	0	37	-1.0	-49.55	306.98	4.11	-45.44
COC1=CC=C(F)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1OC	REAL300017860625	0	42	-1.0	-51.22	332.54	3.89	-47.33
COC(=O)C1=C(Br)OC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860626	1	37	-1.0	-55.55	335.88	3.36	-52.19
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CCCC2)=N1	REAL300017860627	0	47	-1.0	-49.62	365.29	4.55	-45.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300017860628	0	38	-1.0	-49.88	325.12	5.60	-44.28
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CC2)=N1	REAL300017860630	0	41	-1.0	-50.25	333.84	3.57	-46.68
CC(C)(CCC(=O)[O-])NC(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017860631	0	36	-1.0	-45.93	316.53	7.63	-38.30
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017860632	0	38	-1.0	-49.15	314.66	3.24	-45.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300017860633	0	38	-1.0	-52.69	332.28	4.31	-48.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017860634	0	37	-1.0	-51.49	302.84	2.69	-48.80
CN1N=NC2=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CC=C21	REAL300017860635	0	39	-1.0	-59.21	321.60	2.20	-57.01
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Br	REAL300017860637	0	40	-1.0	-46.36	331.60	5.78	-40.58
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CCCC(C)(C)C1	REAL300017860638	0	45	-1.0	-46.60	328.70	4.43	-42.17
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017860639	0	40	-1.0	-53.45	343.80	4.79	-48.66
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017860640	0	37	-1.0	-49.06	310.17	4.11	-44.95
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CCC2)=N1	REAL300017860641	0	44	-1.0	-49.71	349.18	4.06	-45.65
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860642	0	52	-1.0	-46.78	389.56	7.68	-39.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017860643	0	40	-1.0	-47.99	347.04	5.62	-42.37
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC=C1	REAL300017860644	0	31	-1.0	-46.87	282.97	3.32	-43.55
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017860645	0	44	-1.0	-50.23	348.30	4.26	-45.97
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017860646	0	38	-1.0	-47.98	310.83	4.87	-43.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017860647	0	45	-1.0	-49.01	375.75	6.59	-42.42
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300017860648	0	47	-1.0	-54.17	365.34	2.06	-52.11
COC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300017860649	0	43	-1.0	-57.86	340.64	4.92	-52.94
CCCC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860650	0	43	-1.0	-47.23	339.85	5.88	-41.35
COC(=O)C1=NN(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860651	0	40	-1.0	-49.38	331.02	1.96	-47.42
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300017860652	0	35	-1.0	-50.81	300.58	4.10	-46.71
CN1N=C2CCCC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860653	0	41	-1.0	-48.17	319.34	3.05	-45.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017860654	0	38	-1.0	-46.64	331.89	5.01	-41.63
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2C=C1	REAL300017860655	0	46	-1.0	-50.09	375.81	6.54	-43.55
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860656	0	43	-1.0	-46.85	322.28	3.36	-43.49
CC(C)(C)N1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300017860657	0	43	-1.0	-49.71	338.89	3.33	-46.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300017860658	0	41	-1.0	-48.97	326.29	2.75	-46.22
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN=C1C(F)(F)F	REAL300017860659	0	39	-1.0	-47.43	326.86	3.54	-43.89
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300017860660	0	37	-1.0	-45.35	320.56	4.73	-40.62
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CF)C=C1	REAL300017860661	0	37	-1.0	-48.08	303.55	4.48	-43.60
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300017860662	0	34	-1.0	-48.05	296.94	4.22	-43.83
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300017860663	0	34	-1.0	-46.67	305.92	3.83	-42.84
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CCC(F)(F)CC1	REAL300017860664	0	39	-1.0	-46.76	299.19	3.08	-43.68
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300017860665	0	37	-1.0	-45.72	327.42	5.07	-40.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)F	REAL300017860666	0	37	-1.0	-52.53	296.22	5.24	-47.29
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860667	0	45	-1.0	-54.81	360.44	5.79	-49.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300017860668	0	45	-1.0	-47.57	343.38	6.71	-40.86
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300017860669	0	44	-1.0	-53.61	354.88	5.36	-48.25
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300017860670	0	40	-1.0	-55.04	338.17	4.69	-50.35
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300017860671	0	40	-1.0	-46.97	316.13	4.40	-42.57
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300017860672	0	39	-1.0	-49.53	335.75	4.22	-45.31
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017860673	0	43	-1.0	-56.91	348.39	3.59	-53.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017860674	0	34	-1.0	-49.08	294.89	4.14	-44.94
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300017860675	0	41	-1.0	-47.38	323.73	5.75	-41.63
COC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CS1	REAL300017860676	0	35	-1.0	-48.87	299.52	2.20	-46.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017860677	0	37	-1.0	-47.84	307.46	5.40	-42.44
COC(=O)C1=C(C)SC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860678	0	40	-1.0	-47.78	340.22	3.95	-43.83
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017860679	0	41	-1.0	-48.76	331.89	5.99	-42.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017860680	0	44	-1.0	-46.73	340.37	4.12	-42.61
CCC(C)N1N=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860681	0	43	-1.0	-46.66	334.55	3.44	-43.22
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300017860682	0	43	-1.0	-54.24	345.46	1.19	-53.05
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300017860683	0	37	-1.0	-55.84	328.50	0.25	-55.59
CN(C1CCCCCC1)S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860684	0	48	-1.0	-46.30	339.41	4.72	-41.58
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860685	0	38	-1.0	-46.87	318.07	3.60	-43.27
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CCOCC2)=N1	REAL300017860686	0	48	-1.0	-49.79	374.69	2.79	-47.00
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300017860687	0	40	-1.0	-49.00	329.04	5.28	-43.72
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300017860688	0	38	-1.0	-49.31	314.68	3.24	-46.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300017860689	0	49	-1.0	-47.74	370.31	6.78	-40.96
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300017860690	0	35	-1.0	-47.55	298.70	2.15	-45.40
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NC=CC=C12	REAL300017860691	0	45	-1.0	-53.93	345.65	6.22	-47.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017860692	0	42	-1.0	-48.49	324.74	3.80	-44.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(CCF)N=C1	REAL300017860693	0	37	-1.0	-49.03	306.96	2.25	-46.78
CCOCC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860694	0	44	-1.0	-48.87	352.75	4.45	-44.42
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860697	0	44	-1.0	-48.45	354.27	4.81	-43.64
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017860698	0	47	-1.0	-48.13	360.67	4.50	-43.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017860699	0	45	-1.0	-48.28	365.22	6.58	-41.70
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CF	REAL300017860700	0	37	-1.0	-48.94	295.23	4.72	-44.22
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(C)=C1Br	REAL300017860701	0	40	-1.0	-45.86	332.45	5.38	-40.48
CCN1N=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1Cl	REAL300017860702	0	37	-1.0	-46.92	319.22	2.60	-44.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017860703	0	38	-1.0	-48.85	327.53	5.59	-43.26
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C2	REAL300017860704	0	40	-1.0	-48.19	360.13	4.86	-43.33
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017860706	0	36	-1.0	-49.67	318.13	3.09	-46.58
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017860707	0	39	-1.0	-54.67	331.37	4.84	-49.83
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017860708	0	39	-1.0	-53.92	328.73	4.70	-49.22
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300017860709	0	43	-1.0	-49.99	334.69	6.59	-43.40
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860710	0	38	-1.0	-50.18	327.61	4.41	-45.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017860711	0	41	-1.0	-50.35	332.58	4.04	-46.31
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300017860712	0	48	-1.0	-49.74	379.20	5.18	-44.56
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017860713	0	34	-1.0	-48.29	304.63	4.36	-43.93
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])O1	REAL300017860714	0	40	-1.0	-63.26	340.88	0.28	-62.98
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300017860715	0	44	-1.0	-52.34	353.05	5.23	-47.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017860716	0	40	-1.0	-49.97	347.57	1.59	-48.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300017860717	0	38	-1.0	-56.12	316.30	5.13	-50.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017860718	0	38	-1.0	-55.48	331.19	5.67	-49.81
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017860719	0	38	-1.0	-55.59	331.18	5.68	-49.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300017860720	0	38	-1.0	-47.58	318.84	5.05	-42.53
COC(=O)C1CCCCN1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860721	0	45	-1.0	-50.73	340.15	4.94	-45.79
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300017860722	0	56	-1.0	-47.24	404.14	7.83	-39.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300017860723	0	37	-1.0	-53.30	320.81	4.47	-48.83
COC1=CC=C(C=C(C)S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300017860724	0	45	-1.0	-48.82	354.67	4.88	-43.94
COC(=O)C=CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300017860725	0	44	-1.0	-50.56	361.37	5.57	-44.99
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=NN1	REAL300017860726	0	40	-1.0	-48.71	336.21	1.73	-46.98
COC1=CSC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1OC	REAL300017860727	0	39	-1.0	-48.86	327.45	1.64	-47.22
CC(C)(CCC(=O)[O-])NC(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300017860728	0	51	-1.0	-45.38	350.20	8.42	-36.96
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300017860729	0	46	-1.0	-46.33	330.63	4.42	-41.91
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860730	0	45	-1.0	-47.81	353.70	6.03	-41.78
CC(C)(CCC(=O)[O-])NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300017860731	0	45	-1.0	-47.05	359.64	10.63	-36.42
CC(C)(CCC(=O)[O-])NC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017860732	0	51	-1.0	-46.00	379.58	10.01	-35.99
CC(C)(C)OC(=O)N1CCN(C(=O)NC(C)(C)CCC(=O)[O-])CC1	REAL300017860733	0	52	-1.0	-47.09	384.18	6.56	-40.53
COC(=O)C1CCN(C(=O)NC(C)(C)CCC(=O)[O-])CC1	REAL300017860734	0	44	-1.0	-49.33	336.02	6.44	-42.89
CN(C(=O)NC(C)(C)CCC(=O)[O-])C1CCS(=O)(=O)C1	REAL300017860735	0	41	-1.0	-53.65	321.03	2.49	-51.16
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860736	0	53	-1.0	-49.28	398.08	7.10	-42.18
COC(=O)C1CN(C(=O)NC(C)(C)CCC(=O)[O-])CCO1	REAL300017860737	0	42	-1.0	-47.97	328.22	4.86	-43.11
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860738	0	38	-1.0	-48.15	323.92	4.76	-43.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017860739	0	38	-1.0	-49.68	325.62	4.56	-45.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017860740	0	38	-1.0	-50.28	320.14	3.32	-46.96
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860741	0	40	-1.0	-48.49	317.93	3.45	-45.04
CC(=O)OC1CCN(C(=O)NC(C)(C)CCC(=O)[O-])CC1	REAL300017860742	0	44	-1.0	-48.23	337.17	6.69	-41.54
CN1C=CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300017860743	0	41	-1.0	-50.43	329.15	5.43	-45.00
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017860744	0	37	-1.0	-51.72	305.93	5.31	-46.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017860745	0	43	-1.0	-48.50	354.43	4.15	-44.35
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017860746	0	31	-1.0	-44.09	299.24	3.72	-40.37
CN1N=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1Cl	REAL300017860747	0	34	-1.0	-47.09	297.36	1.72	-45.37
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860748	0	47	-1.0	-49.44	367.91	5.98	-43.46
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017860749	0	51	-1.0	-49.51	392.59	5.56	-43.95
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017860750	0	37	-1.0	-47.69	329.06	5.30	-42.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017860751	0	39	-1.0	-50.40	328.36	4.36	-46.04
COC(=O)[C@@H]1CCCN1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860752	0	42	-1.0	-52.66	328.45	3.71	-48.95
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017860753	0	45	-1.0	-50.18	364.67	6.56	-43.62
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300017860754	0	40	-1.0	-53.16	313.48	5.79	-47.37
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017860755	0	39	-1.0	-52.06	329.49	2.25	-49.81
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017860756	0	35	-1.0	-50.80	318.55	2.60	-48.20
CC(=O)OC1CCCN(C(=O)NC(C)(C)CCC(=O)[O-])C1	REAL300017860757	0	44	-1.0	-52.11	337.16	6.66	-45.45
COCN1N=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860758	0	38	-1.0	-49.04	308.68	-0.25	-49.29
CC1=CC(Cl)=NC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860759	0	36	-1.0	-45.60	303.64	3.04	-42.56
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860760	0	45	-1.0	-49.71	359.51	5.37	-44.34
CCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CC2)=N1	REAL300017860761	0	44	-1.0	-50.04	355.37	4.43	-45.61
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NSN=C2C=C1	REAL300017860762	0	38	-1.0	-51.93	313.26	3.13	-48.80
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017860763	0	40	-1.0	-47.26	337.78	6.41	-40.85
CC(=O)OC1CCN(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C1	REAL300017860764	0	42	-1.0	-49.58	333.93	3.15	-46.43
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017860765	0	44	-1.0	-47.06	366.32	7.59	-39.47
CCC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1Br	REAL300017860766	0	40	-1.0	-45.78	333.21	5.52	-40.26
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860767	0	47	-1.0	-46.78	362.80	4.91	-41.87
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CS1	REAL300017860768	0	31	-1.0	-46.15	283.76	3.21	-42.94
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860769	0	48	-1.0	-50.01	382.17	3.94	-46.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017860770	0	40	-1.0	-49.09	335.19	6.65	-42.44
CN1N=C2CCOCC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860771	0	42	-1.0	-47.58	324.96	1.70	-45.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300017860772	0	41	-1.0	-48.26	319.57	6.03	-42.23
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CCC(C)(C)CC1	REAL300017860773	0	45	-1.0	-45.92	321.99	3.83	-42.09
CC(=O)OCC1CCN(S(=O)(=O)NC(C)(C)CCC(=O)[O-])CC1	REAL300017860774	0	48	-1.0	-51.18	370.02	4.89	-46.29
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860775	0	48	-1.0	-53.92	378.53	4.22	-49.70
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017860776	0	44	-1.0	-48.22	330.87	1.59	-46.63
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=N1	REAL300017860777	0	40	-1.0	-46.69	319.16	1.16	-45.53
COC1=NC=C(C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860778	0	40	-1.0	-49.78	324.50	1.53	-48.25
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017860779	0	49	-1.0	-48.31	377.94	4.11	-44.20
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860780	0	37	-1.0	-47.12	319.81	1.39	-45.73
COC1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300017860781	0	40	-1.0	-47.48	323.27	1.13	-46.35
CC(C)CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300017860782	0	43	-1.0	-49.04	341.70	3.65	-45.39
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860783	0	43	-1.0	-49.07	342.28	3.34	-45.73
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017860784	0	33	-1.0	-45.94	301.08	1.69	-44.25
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(C#N)C=CS1	REAL300017860785	0	32	-1.0	-50.09	284.01	2.92	-47.17
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017860786	0	38	-1.0	-47.57	340.23	6.01	-41.56
CC(C)N1N=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860787	0	40	-1.0	-47.06	316.36	2.87	-44.19
COC(=O)C1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300017860788	0	42	-1.0	-48.49	341.44	3.10	-45.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300017860789	0	37	-1.0	-53.41	313.65	5.49	-47.92
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300017860790	0	41	-1.0	-46.48	322.21	3.85	-42.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017860791	0	41	-1.0	-50.23	326.70	4.84	-45.39
COC1=NOC(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860792	0	37	-1.0	-53.93	307.63	0.11	-53.82
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300017860793	0	39	-1.0	-52.73	309.64	4.22	-48.51
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=NN1C(C)C	REAL300017860794	0	43	-1.0	-48.50	338.70	3.37	-45.13
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017860795	0	41	-1.0	-48.11	336.08	5.91	-42.20
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300017860796	0	36	-1.0	-48.18	301.76	2.69	-45.49
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300017860797	0	48	-1.0	-48.13	385.12	7.28	-40.85
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017860798	0	41	-1.0	-49.05	336.97	5.90	-43.15
CC(C)(CCC(=O)[O-])NC(=O)N1CCC(C(F)(F)F)CC1	REAL300017860799	0	41	-1.0	-46.18	318.77	6.72	-39.46
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017860800	0	38	-1.0	-50.47	327.70	4.17	-46.30
CC(C)(CCC(=O)[O-])NC(=O)N1CC=C(Br)CC1	REAL300017860801	0	36	-1.0	-44.67	294.70	6.35	-38.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017860802	0	37	-1.0	-49.45	314.95	4.69	-44.76
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860803	0	42	-1.0	-55.56	326.73	-0.35	-55.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CC2CCC(C1)O2	REAL300017860804	0	41	-1.0	-46.88	305.96	2.31	-44.57
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CCC(C#N)CC1	REAL300017860805	0	40	-1.0	-51.62	313.09	3.60	-48.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017860807	0	41	-1.0	-49.89	330.47	6.04	-43.85
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(Cl)=C1Cl	REAL300017860808	0	37	-1.0	-48.56	322.74	5.34	-43.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017860809	0	38	-1.0	-46.38	328.64	3.66	-42.72
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017860810	0	41	-1.0	-49.43	345.17	4.73	-44.70
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C(F)F)=C1	REAL300017860811	0	41	-1.0	-48.67	325.81	4.27	-44.40
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860812	0	40	-1.0	-46.91	341.94	1.84	-45.07
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NC=CC=C12	REAL300017860813	0	42	-1.0	-54.23	334.87	4.90	-49.33
CC(C)(CCC(=O)[O-])NC(=O)N1CC(OCC2=CC=CC=C2)C1	REAL300017860814	0	46	-1.0	-47.45	367.08	7.14	-40.31
CC(C)(C)OC(=O)NC1CN(C(=O)NC(C)(C)CCC(=O)[O-])C1	REAL300017860815	0	49	-1.0	-49.42	377.85	3.92	-45.50
CC(=O)OCC1CCN(C(=O)NC(C)(C)CCC(=O)[O-])CC1	REAL300017860816	0	47	-1.0	-49.74	358.57	7.39	-42.35
COC(=O)C1CCCN(C(=O)NC(C)(C)CCC(=O)[O-])C1	REAL300017860817	0	44	-1.0	-46.75	336.15	6.44	-40.31
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CC=C(Br)CC1	REAL300017860818	0	37	-1.0	-46.66	306.90	3.90	-42.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)N1CCC(F)(F)C1	REAL300017860820	0	36	-1.0	-47.72	290.57	2.48	-45.24
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860821	0	47	-1.0	-49.84	366.45	5.72	-44.12
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C(Cl)S1	REAL300017860822	0	34	-1.0	-44.89	301.19	4.11	-40.78
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017860823	0	41	-1.0	-50.97	349.95	4.66	-46.31
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C2CCCCN2N=C1	REAL300017860824	0	41	-1.0	-48.56	323.19	3.01	-45.55
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=CC(Cl)=C2)CC1	REAL300017860829	0	29	-1.0	-50.10	284.75	4.29	-45.81
O=C([O-])CC1(NC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C32)CC1	REAL300017860847	0	43	-1.0	-50.99	364.25	10.29	-40.70
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017860848	0	34	-1.0	-50.76	312.80	-1.71	-52.47
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300017860849	0	37	-1.0	-49.87	321.99	5.31	-44.56
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1C	REAL300017860850	0	37	-1.0	-57.16	319.87	5.75	-51.41
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3OCCOC3=C2)CC1	REAL300017860851	0	35	-1.0	-47.36	302.09	2.67	-44.69
CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(=O)N(C)C1=O	REAL300017860852	0	35	-1.0	-63.03	299.61	2.81	-60.22
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3NC(=O)OC3=C2)CC1	REAL300017860853	0	32	-1.0	-42.82	290.34	0.84	-41.98
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300017860854	0	31	-1.0	-65.10	275.73	5.28	-59.82
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860855	0	36	-1.0	-47.24	326.21	5.58	-41.66
CC1=CC(C)=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1C	REAL300017860856	0	41	-1.0	-46.44	312.46	5.61	-40.83
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860857	0	44	-1.0	-56.05	349.11	6.76	-49.29
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300017860858	0	29	-1.0	-39.88	290.52	4.30	-35.58
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC=C2Cl)CC1	REAL300017860859	0	29	-1.0	-43.47	273.06	4.03	-39.44
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300017860860	0	32	-1.0	-40.98	297.62	4.35	-36.63
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC1	REAL300017860861	0	32	-1.0	-55.22	271.68	5.04	-50.18
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)CC1	REAL300017860862	0	32	-1.0	-40.19	309.49	4.93	-35.26
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300017860863	0	32	-1.0	-43.50	295.05	4.50	-39.00
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)CC1	REAL300017860864	0	33	-1.0	-57.08	296.66	3.23	-53.85
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017860865	0	38	-1.0	-52.94	354.99	5.79	-47.15
O=C([O-])CC1(NS(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300017860866	0	45	-1.0	-52.03	390.21	5.31	-46.72
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CC1	REAL300017860867	0	38	-1.0	-50.85	323.46	4.93	-45.92
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C3=NON=C32)CC1	REAL300017860868	0	30	-1.0	-58.04	287.16	3.20	-54.84
O=C([O-])CC1(NS(=O)(=O)CC2=CC=C(C(F)F)C=C2)CC1	REAL300017860869	0	35	-1.0	-60.42	314.38	5.17	-55.25
CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300017860870	0	32	-1.0	-52.75	286.94	2.35	-50.40
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CC1	REAL300017860871	0	31	-1.0	-52.84	297.41	5.66	-47.18
COC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(F)C=C1C	REAL300017860872	0	38	-1.0	-45.40	320.16	4.67	-40.73
CC1=CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C2N=C1Cl	REAL300017860873	0	37	-1.0	-48.45	335.07	4.73	-43.72
COC(CS(=O)(=O)NC1(CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300017860874	0	39	-1.0	-65.56	323.30	4.82	-60.74
O=C([O-])CC1(NS(=O)(=O)CC2CCCCC2(F)F)CC1	REAL300017860875	0	38	-1.0	-44.68	306.95	4.65	-40.03
O=C([O-])CC1(NS(=O)(=O)CCOCC2=CC=CC=C2)CC1	REAL300017860876	0	39	-1.0	-46.52	336.39	4.20	-42.32
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C(C)C)=C1	REAL300017860877	0	56	-1.0	-46.50	403.24	8.82	-37.68
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)CC1	REAL300017860878	0	34	-1.0	-50.00	295.23	5.35	-44.65
CCOC(=O)C1=CC=C(CS(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017860879	0	41	-1.0	-60.99	358.87	5.90	-55.09
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017860880	0	36	-1.0	-52.70	330.17	4.01	-48.69
COC1=CC=C2C=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)CCC2=C1	REAL300017860881	0	41	-1.0	-47.31	341.57	4.96	-42.35
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC3CC3)C=C2)CC1	REAL300017860882	0	37	-1.0	-56.10	318.85	4.82	-51.28
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(F)C(Cl)=C2)CC1	REAL300017860883	0	29	-1.0	-40.00	281.20	3.89	-36.11
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(Cl)=C2Cl)CC1	REAL300017860884	0	29	-1.0	-55.73	270.06	4.06	-51.67
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017860885	0	35	-1.0	-50.91	314.12	4.08	-46.83
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017860886	0	41	-1.0	-56.64	335.84	6.31	-50.33
CCC(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017860887	0	41	-1.0	-44.45	337.28	5.92	-38.53
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017860888	0	46	-1.0	-50.97	395.37	3.05	-47.92
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017860889	0	40	-1.0	-50.59	354.18	1.33	-49.26
O=C([O-])CC1(NS(=O)(=O)C2=C(Cl)C=CC=C2Cl)CC1	REAL300017860890	0	29	-1.0	-43.08	281.02	4.64	-38.44
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Br)C=C2Cl)CC1	REAL300017860891	0	29	-1.0	-42.13	277.59	4.12	-38.01
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Br	REAL300017860892	0	33	-1.0	-43.17	308.46	3.29	-39.88
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860893	0	40	-1.0	-60.04	325.75	2.59	-57.45
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(F)C(F)=C2F)CC1	REAL300017860894	0	29	-1.0	-42.62	265.63	3.35	-39.27
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300017860895	0	29	-1.0	-50.12	295.07	4.73	-45.39
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)CC1	REAL300017860896	0	35	-1.0	-49.64	339.41	5.72	-43.92
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(Br)=C2)CC1	REAL300017860897	0	29	-1.0	-41.33	279.85	3.94	-37.39
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017860898	0	41	-1.0	-65.47	358.23	5.72	-59.75
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C=C2F)CC1	REAL300017860899	0	29	-1.0	-42.66	269.71	3.75	-38.91
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)CC1	REAL300017860900	0	32	-1.0	-50.90	302.24	5.45	-45.45
COC(=O)C1=CC(Br)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860901	0	35	-1.0	-57.06	325.24	5.69	-51.37
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Br	REAL300017860902	0	32	-1.0	-43.45	297.10	4.69	-38.76
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2Br)CC1	REAL300017860903	0	29	-1.0	-55.70	277.59	4.46	-51.24
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300017860904	0	33	-1.0	-53.58	305.64	3.79	-49.79
CC1=C(C)C(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1C	REAL300017860905	0	44	-1.0	-52.80	326.59	6.19	-46.61
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)CC1	REAL300017860906	0	38	-1.0	-48.51	321.44	3.29	-45.22
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017860907	0	34	-1.0	-51.55	302.16	4.71	-46.84
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Br)S2)CC1	REAL300017860908	0	26	-1.0	-52.90	272.32	3.22	-49.68
COC1=CC=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860909	0	33	-1.0	-47.91	291.18	4.35	-43.56
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860910	0	47	-1.0	-54.12	352.88	7.32	-46.80
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CC1	REAL300017860911	0	45	-1.0	-44.69	360.46	7.14	-37.55
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300017860912	0	32	-1.0	-41.42	297.35	4.34	-37.08
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3CCCCC3=C2)CC1	REAL300017860913	0	39	-1.0	-46.30	320.81	5.77	-40.53
COC1=CC=C(OC)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017860914	0	37	-1.0	-51.69	299.23	3.01	-48.68
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1OC	REAL300017860915	0	37	-1.0	-46.84	317.33	2.53	-44.31
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)NCC(F)(F)F)C=C2)CC1	REAL300017860916	0	39	-1.0	-46.43	355.83	2.91	-43.52
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(OC)=C1	REAL300017860917	0	37	-1.0	-47.04	310.59	3.33	-43.71
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)CC1	REAL300017860918	0	37	-1.0	-46.26	312.15	5.66	-40.60
CC1=CC(Cl)=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1Cl	REAL300017860919	0	35	-1.0	-42.16	309.52	5.84	-36.32
CC1=CC=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860920	0	32	-1.0	-53.42	296.44	4.88	-48.54
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1NC(C)=O	REAL300017860921	0	40	-1.0	-51.54	341.53	1.86	-49.68
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)CC1	REAL300017860922	0	37	-1.0	-46.07	318.19	2.34	-43.73
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3NC(=O)NC3=C2)CC1	REAL300017860923	0	33	-1.0	-55.97	292.21	0.39	-55.58
COC1=CC(Br)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1OC	REAL300017860924	0	37	-1.0	-53.24	333.11	3.56	-49.68
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3NC(=O)CC3=C2)CC1	REAL300017860925	0	34	-1.0	-55.70	303.62	2.16	-53.54
CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1OCC	REAL300017860926	0	43	-1.0	-47.00	360.05	4.56	-42.44
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Br)C=C2)CC1	REAL300017860927	0	29	-1.0	-41.61	279.90	3.96	-37.65
O=C([O-])CC1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300017860928	0	31	-1.0	-41.94	286.78	4.00	-37.94
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC1	REAL300017860929	0	35	-1.0	-47.79	304.52	5.61	-42.18
CC(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017860930	0	36	-1.0	-51.60	315.52	2.14	-49.46
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300017860931	0	31	-1.0	-41.51	286.84	3.99	-37.52
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860932	0	34	-1.0	-57.53	301.15	5.12	-52.41
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300017860933	0	32	-1.0	-45.03	294.17	4.32	-40.71
O=C([O-])CC1(NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300017860934	0	32	-1.0	-47.00	309.76	5.32	-41.68
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(F)=C1	REAL300017860935	0	43	-1.0	-61.97	370.24	1.90	-60.07
O=C([O-])CC1(NS(=O)(=O)CC2=CC=C(Br)C(F)=C2)CC1	REAL300017860936	0	32	-1.0	-58.42	308.99	4.99	-53.43
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017860937	0	38	-1.0	-71.94	342.68	1.84	-70.10
O=C([O-])CC1(NS(=O)(=O)C2=CN=C(Cl)C(Br)=C2)CC1	REAL300017860938	0	28	-1.0	-47.71	291.14	2.76	-44.95
CC1=CC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2C=C1	REAL300017860939	0	38	-1.0	-48.24	325.64	6.08	-42.16
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017860940	0	38	-1.0	-50.25	331.35	5.36	-44.89
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC(=O)NC3CC3)C=C2)CC1	REAL300017860941	0	44	-1.0	-53.90	380.21	3.89	-50.01
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017860942	0	42	-1.0	-51.06	356.04	3.62	-47.44
O=C([O-])CC1(NS(=O)(=O)CC2=C(F)C=CC=C2Cl)CC1	REAL300017860943	0	32	-1.0	-60.07	301.22	4.80	-55.27
O=C([O-])CC1(NS(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)CC1	REAL300017860944	0	35	-1.0	-49.16	294.62	5.71	-43.45
CCC1=CC(CC)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(CC)=C1	REAL300017860945	0	47	-1.0	-53.35	356.92	8.21	-45.14
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C12	REAL300017860946	0	48	-1.0	-47.91	399.05	4.21	-43.70
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017860947	0	37	-1.0	-48.75	306.66	5.47	-43.28
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CC1	REAL300017860948	0	36	-1.0	-47.06	314.60	3.07	-43.99
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)CC1	REAL300017860949	0	31	-1.0	-53.51	304.63	3.47	-50.04
COC1=CC(OC)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300017860950	0	37	-1.0	-47.79	327.79	3.43	-44.36
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Cl	REAL300017860951	0	33	-1.0	-43.95	303.13	3.37	-40.58
O=C([O-])CC1(NS(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)CC1	REAL300017860952	0	32	-1.0	-57.07	286.58	0.89	-56.18
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860953	0	42	-1.0	-54.92	349.50	4.30	-50.62
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CC1	REAL300017860954	0	32	-1.0	-45.36	284.23	2.48	-42.88
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(F)C=C1Br	REAL300017860955	0	32	-1.0	-42.78	289.04	4.66	-38.12
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CC1	REAL300017860956	0	34	-1.0	-56.76	314.63	6.32	-50.44
CC1=CC=CC(Cl)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860957	0	32	-1.0	-42.50	284.24	4.81	-37.69
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C12	REAL300017860958	0	44	-1.0	-50.81	380.96	6.69	-44.12
O=C([O-])CC1(NS(=O)(=O)CCOCC2CCCC2)CC1	REAL300017860959	0	42	-1.0	-54.82	343.18	4.06	-50.76
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CC1	REAL300017860960	0	33	-1.0	-48.06	284.89	4.02	-44.04
COC(=O)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300017860961	0	38	-1.0	-48.53	341.01	4.82	-43.71
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CC(C)=C2S1	REAL300017860962	0	38	-1.0	-53.54	331.46	6.49	-47.05
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CC1	REAL300017860963	0	33	-1.0	-47.64	295.21	4.47	-43.17
O=C([O-])CC1(NS(=O)(=O)C2=C(Br)C3=CC=CC=C3C=C2)CC1	REAL300017860964	0	35	-1.0	-55.78	317.48	6.54	-49.24
CC1=CC(F)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(F)=C1	REAL300017860965	0	32	-1.0	-59.07	291.20	4.66	-54.41
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300017860966	0	43	-1.0	-47.39	366.84	6.40	-40.99
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017860967	0	46	-1.0	-49.10	401.50	1.84	-47.26
CN(C)C(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017860968	0	39	-1.0	-53.64	328.98	3.23	-50.41
O=C([O-])CC1(NS(=O)(=O)CC2=CC=CC(Cl)=C2)CC1	REAL300017860969	0	32	-1.0	-59.15	298.71	4.84	-54.31
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC=C2F)CC1	REAL300017860970	0	29	-1.0	-44.18	269.77	3.76	-40.42
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)CC1	REAL300017860971	0	40	-1.0	-48.20	346.60	3.30	-44.90
COC1=CC=C(F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860972	0	33	-1.0	-48.73	276.34	3.79	-44.94
CCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017860973	0	37	-1.0	-51.51	319.97	5.30	-46.21
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CN1C(=O)CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C21	REAL300017860984	0	37	-1.0	-56.04	324.44	4.13	-51.91
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CC(=O)N1CCCC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C21	REAL300017860995	0	43	-1.0	-52.66	347.37	4.73	-47.93
COC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017860996	0	35	-1.0	-45.75	313.36	4.00	-41.75
CNC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017860997	0	36	-1.0	-50.18	315.03	1.61	-48.57
CC(=O)N1C2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2CC1C	REAL300017860998	0	43	-1.0	-47.00	353.25	4.89	-42.11
COC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)S1	REAL300017860999	0	32	-1.0	-44.38	304.96	3.56	-40.82
CCOC(=O)C1=CNN=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861000	0	35	-1.0	-53.30	310.41	2.50	-50.80
CC1=CC=C(CS(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300017861166	0	35	-1.0	-60.05	308.70	5.04	-55.01
CC1=C(Br)C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017861167	0	34	-1.0	-49.11	321.16	5.25	-43.86
COC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC(F)=C1F	REAL300017861168	0	35	-1.0	-50.66	327.23	4.45	-46.21
O=C([O-])CC1(NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)CC1	REAL300017861169	0	41	-1.0	-46.69	342.94	4.77	-41.92
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CC1=NC2=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=CC=C2C=C1	REAL300017861171	0	37	-1.0	-53.58	299.50	5.40	-48.18
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CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Cl	REAL300017861176	0	32	-1.0	-43.38	293.07	4.60	-38.78
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COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1F	REAL300017861179	0	35	-1.0	-45.10	322.67	4.37	-40.73
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861180	0	38	-1.0	-49.18	328.02	4.53	-44.65
CC1=C(Br)C=CC=C1CS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861181	0	35	-1.0	-43.15	313.72	5.34	-37.81
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CC1=CC(C(N)=O)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861184	0	36	-1.0	-62.19	317.54	1.16	-61.03
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COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861186	0	44	-1.0	-54.50	368.46	5.68	-48.82
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861187	0	39	-1.0	-46.71	347.76	6.39	-40.32
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COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861191	0	33	-1.0	-45.54	296.66	4.39	-41.15
COC1=CC2=C(C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1)C(=O)NCCC2	REAL300017861192	0	44	-1.0	-55.51	345.69	2.80	-52.71
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)S2)C1	REAL300017861193	0	40	-1.0	-58.77	349.95	4.11	-54.66
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)SC2=CC=C(C#N)C=C12	REAL300017861194	0	36	-1.0	-43.76	322.60	5.77	-37.99
NC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(F)C=C1Br	REAL300017861195	0	33	-1.0	-43.54	300.27	0.88	-42.66
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CCC(C)OC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861197	0	42	-1.0	-45.70	348.25	5.13	-40.57
CC(CC(F)(F)F)CS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861198	0	34	-1.0	-39.59	293.06	3.69	-35.90
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CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC3(CC(=O)[O-])CC3)=C2)=N1	REAL300017861200	0	41	-1.0	-58.38	352.89	3.50	-54.88
COC1=CC(F)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861201	0	33	-1.0	-43.60	288.58	3.62	-39.98
COC(=O)C1=C(C)C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)O1	REAL300017861202	0	35	-1.0	-52.28	318.54	3.08	-49.20
CCC1=NC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CN1CC1CC1	REAL300017861203	0	42	-1.0	-60.59	359.97	5.64	-54.95
CC(=O)N1CC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2C1	REAL300017861204	0	40	-1.0	-52.18	343.59	3.89	-48.29
O=C([O-])CC1(NS(=O)(=O)C2=CN=C(C3CC3)S2)CC1	REAL300017861205	0	32	-1.0	-53.26	298.86	3.03	-50.23
O=C([O-])CC1(NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)CC1	REAL300017861206	0	32	-1.0	-64.16	307.43	3.44	-60.72
CCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(C)C	REAL300017861207	0	48	-1.0	-45.69	389.05	6.57	-39.12
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300017861208	0	37	-1.0	-52.76	321.64	5.99	-46.77
O=C([O-])CC1(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CC1	REAL300017861209	0	42	-1.0	-46.11	352.97	5.73	-40.38
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)CC1	REAL300017861210	0	43	-1.0	-45.42	376.02	6.68	-38.74
COC(CS(=O)(=O)NC1(CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300017861211	0	39	-1.0	-44.57	338.93	4.55	-40.02
O=C([O-])CC1(NS(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)CC1	REAL300017861212	0	41	-1.0	-46.98	342.78	4.75	-42.23
COC(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300017861213	0	37	-1.0	-44.72	338.54	2.20	-42.52
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=CC=C12	REAL300017861214	0	41	-1.0	-54.59	352.05	6.44	-48.15
COC(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C	REAL300017861215	0	40	-1.0	-53.78	343.12	2.31	-51.47
O=C([O-])CC1(NS(=O)(=O)CC2(C(F)F)CCCC2)CC1	REAL300017861216	0	38	-1.0	-45.37	305.71	4.76	-40.61
CCOC1(CS(=O)(=O)NC2(CC(=O)[O-])CC2)CCOCC1	REAL300017861217	0	43	-1.0	-61.74	333.54	2.38	-59.36
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1F	REAL300017861218	0	35	-1.0	-45.02	312.36	3.93	-41.09
CC(=O)N1CCC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=C(Cl)C=C21	REAL300017861219	0	40	-1.0	-64.09	333.35	4.85	-59.24
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861220	0	32	-1.0	-47.38	294.88	2.34	-45.04
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CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861222	0	32	-1.0	-51.11	299.89	5.09	-46.02
CC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1Br	REAL300017861223	0	32	-1.0	-55.83	295.73	5.02	-50.81
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861224	0	35	-1.0	-59.12	317.59	4.68	-54.44
O=C([O-])CC1(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)CC1	REAL300017861225	0	37	-1.0	-53.48	317.64	1.38	-52.10
COC1=CC(Br)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861226	0	33	-1.0	-52.86	312.40	3.62	-49.24
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300017861227	0	35	-1.0	-45.38	313.12	4.25	-41.13
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861228	0	35	-1.0	-54.93	311.67	5.45	-49.48
COCCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300017861229	0	36	-1.0	-54.75	321.06	1.29	-53.46
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861230	0	42	-1.0	-45.84	348.07	4.68	-41.16
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CC1	REAL300017861231	0	36	-1.0	-49.67	322.96	3.88	-45.79
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1C	REAL300017861232	0	56	-1.0	-53.96	449.55	8.23	-45.73
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300017861233	0	43	-1.0	-47.83	378.33	1.75	-46.08
O=C([O-])CC1(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300017861234	0	37	-1.0	-43.98	330.59	5.61	-38.37
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O=C([O-])CC1(NS(=O)(=O)CC2=CC=C(F)C=C2F)CC1	REAL300017861236	0	32	-1.0	-60.44	290.98	4.69	-55.75
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CC1	REAL300017861237	0	36	-1.0	-56.63	322.18	1.37	-55.26
CCN1C(=O)OC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C21	REAL300017861238	0	38	-1.0	-56.36	332.39	4.53	-51.83
CC1=C(Br)C=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861239	0	32	-1.0	-51.33	293.12	4.77	-46.56
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Br	REAL300017861240	0	33	-1.0	-43.99	307.51	3.48	-40.51
CS(=O)(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(Cl)S1	REAL300017861241	0	32	-1.0	-53.52	309.23	0.47	-53.05
O=C([O-])CC1(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CC1	REAL300017861242	0	32	-1.0	-55.20	304.72	2.72	-52.48
CC1(C)CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C2O1	REAL300017861243	0	40	-1.0	-54.05	339.03	4.96	-49.09
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300017861244	0	37	-1.0	-48.73	336.80	0.10	-48.63
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CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300017861248	0	43	-1.0	-47.76	379.77	1.79	-45.97
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CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300017861250	0	40	-1.0	-47.99	358.28	0.99	-47.00
CCC(=O)NCC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1OC	REAL300017861251	0	46	-1.0	-49.26	388.51	2.67	-46.59
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CC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Br	REAL300017861256	0	34	-1.0	-44.17	316.16	4.36	-39.81
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CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Br	REAL300017861259	0	36	-1.0	-43.52	329.31	4.40	-39.12
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COC1=C(C)C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C	REAL300017861264	0	39	-1.0	-53.28	335.16	4.60	-48.68
CC(C)CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861265	0	45	-1.0	-45.07	370.51	5.66	-39.41
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CC1=CC(Br)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861281	0	32	-1.0	-50.83	297.45	4.98	-45.85
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COC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)O1	REAL300017861291	0	32	-1.0	-52.91	300.86	2.51	-50.40
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CCOC(=O)C1=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(C)N1	REAL300017861294	0	42	-1.0	-56.30	357.71	4.35	-51.95
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COC(=O)C1=CC=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861299	0	38	-1.0	-60.72	327.67	5.10	-55.62
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COC1=CC(F)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1OC	REAL300017861301	0	37	-1.0	-46.89	308.24	2.67	-44.22
COC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1OC	REAL300017861302	0	40	-1.0	-55.68	331.58	3.64	-52.04
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CCOC(=O)C1CCCN1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861308	0	40	-1.0	-63.78	337.84	4.12	-59.66
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COC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1	REAL300017861310	0	39	-1.0	-51.83	310.11	4.09	-47.74
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COC(=O)C1=CC=C(CS(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861312	0	38	-1.0	-61.22	337.01	4.97	-56.25
COC(=O)C1CCN(S(=O)(=O)NC2(CC(=O)[O-])CC2)CC1	REAL300017861313	0	40	-1.0	-50.19	322.98	3.17	-47.02
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COC(=O)C1=CC=CC(CS(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861315	0	38	-1.0	-64.67	336.79	4.98	-59.69
CCOC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)O1	REAL300017861316	0	35	-1.0	-52.40	322.51	3.43	-48.97
COC(=O)CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861317	0	42	-1.0	-47.14	365.41	4.41	-42.73
COC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C	REAL300017861318	0	39	-1.0	-55.06	322.44	4.47	-50.59
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CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300017861326	0	37	-1.0	-48.98	306.32	4.54	-44.44
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CCOC1=CC=C(C)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861351	0	39	-1.0	-48.51	326.32	5.63	-42.88
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CCOCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861355	0	43	-1.0	-47.24	365.43	3.79	-43.45
CCCCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861356	0	45	-1.0	-45.02	374.44	5.92	-39.10
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COC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1F	REAL300017861358	0	35	-1.0	-44.24	317.94	4.01	-40.23
COC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(Cl)C=C1Cl	REAL300017861359	0	35	-1.0	-51.39	322.29	4.66	-46.73
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861360	0	39	-1.0	-54.01	324.40	4.37	-49.64
COC(=O)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)S1	REAL300017861361	0	35	-1.0	-59.96	329.53	4.27	-55.69
COC(=O)C1=CSC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861362	0	32	-1.0	-50.92	305.03	3.47	-47.45
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861363	0	41	-1.0	-55.02	334.28	5.49	-49.53
COC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Cl	REAL300017861364	0	35	-1.0	-43.12	325.92	4.37	-38.75
COC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1C	REAL300017861365	0	38	-1.0	-48.00	328.95	4.63	-43.37
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861366	0	35	-1.0	-49.17	307.79	3.89	-45.28
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O=C([O-])CC1(NS(=O)(=O)C2=CN=CC(Br)=C2)CC1	REAL300017861369	0	28	-1.0	-42.97	273.91	2.31	-40.66
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CC1	REAL300017861370	0	33	-1.0	-54.16	316.03	5.47	-48.69
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CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2S1	REAL300017861372	0	43	-1.0	-53.32	369.46	5.52	-47.80
COC(=O)CC1(CS(=O)(=O)NC2(CC(=O)[O-])CC2)CC1	REAL300017861373	0	38	-1.0	-57.78	321.14	4.17	-53.61
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861374	0	34	-1.0	-54.42	316.11	3.61	-50.81
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(F)C=C1F	REAL300017861375	0	32	-1.0	-54.79	277.56	4.13	-50.66
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861376	0	36	-1.0	-46.27	321.65	4.75	-41.52
CC(C)N1N=CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C21	REAL300017861377	0	41	-1.0	-55.05	347.18	5.10	-49.95
CCCCCCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(=O)NC1=O	REAL300017861378	0	47	-1.0	-43.63	394.11	4.65	-38.98
CC1=CN(C2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2F)N=C1	REAL300017861379	0	39	-1.0	-54.74	342.16	5.54	-49.20
COC(=O)C1=CC(OC)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)S1	REAL300017861380	0	36	-1.0	-55.81	337.49	3.45	-52.36
CCS(=O)(=O)NCCS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861381	0	36	-1.0	-49.76	320.96	-1.81	-51.57
CC1=CC(F)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300017861382	0	32	-1.0	-44.41	276.26	4.18	-40.23
CC1=CC(Cl)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017861383	0	34	-1.0	-44.53	301.03	5.11	-39.42
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CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300017861385	0	35	-1.0	-47.36	308.14	5.06	-42.30
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COC1=CC(Br)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300017861393	0	33	-1.0	-52.91	323.07	4.32	-48.59
CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)NCC(F)(F)F	REAL300017861394	0	40	-1.0	-47.83	363.82	2.20	-45.63
CCOC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CN1C	REAL300017861395	0	39	-1.0	-46.67	341.99	4.36	-42.31
CCOC(=O)C1CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C2O1	REAL300017861396	0	43	-1.0	-48.47	371.11	5.75	-42.72
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300017861397	0	35	-1.0	-52.45	322.70	1.05	-51.40
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CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861399	0	42	-1.0	-51.16	365.14	4.87	-46.29
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)SC2=CC=CC(F)=C12	REAL300017861400	0	35	-1.0	-54.76	319.11	5.86	-48.90
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CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1N(C)C	REAL300017861403	0	40	-1.0	-45.68	333.50	4.00	-41.68
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861404	0	34	-1.0	-53.71	313.61	5.48	-48.23
CSC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300017861405	0	33	-1.0	-42.93	313.75	4.79	-38.14
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CN(C)C1=CC=C(Br)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861408	0	37	-1.0	-55.87	329.10	4.86	-51.01
CC1=NN2C=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=NC2=C1Cl	REAL300017861409	0	34	-1.0	-50.24	319.92	3.51	-46.73
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861410	0	35	-1.0	-57.25	320.67	5.58	-51.67
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861411	0	41	-1.0	-53.32	334.16	4.04	-49.28
CCC1=NOC2=NC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C12	REAL300017861412	0	36	-1.0	-50.01	319.87	1.04	-48.97
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC([N+](=O)[O-])=C1F	REAL300017861413	0	34	-1.0	-50.52	314.57	5.02	-45.50
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COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861415	0	35	-1.0	-57.26	310.35	5.15	-52.11
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O=C([O-])CC1(NS(=O)(=O)CC2=CC=C(Cl)C=C2Br)CC1	REAL300017861417	0	32	-1.0	-57.49	314.03	5.60	-51.89
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861418	1	44	-1.0	-53.55	369.85	1.03	-52.52
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861419	0	37	-1.0	-53.24	343.14	2.54	-50.70
O=C([O-])CC1(NS(=O)(=O)C2=CN=C(Cl)C=C2Cl)CC1	REAL300017861420	0	28	-1.0	-48.71	283.73	2.97	-45.74
COC(=O)C1CCCCC1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861421	0	41	-1.0	-49.72	320.69	4.90	-44.82
COC(=O)C1(C2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2)CC1	REAL300017861422	0	42	-1.0	-48.98	356.95	5.95	-43.03
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861423	0	33	-1.0	-62.08	314.60	5.32	-56.76
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COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861425	0	33	-1.0	-45.92	296.66	4.39	-41.53
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CC1	REAL300017861426	0	38	-1.0	-62.77	318.10	6.85	-55.92
CCC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C(C(=O)OC)O1	REAL300017861427	0	38	-1.0	-50.87	326.40	3.87	-47.00
O=C([O-])CC1(NS(=O)(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)CC1	REAL300017861428	0	46	-1.0	-49.36	360.25	4.93	-44.43
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1F	REAL300017861429	0	36	-1.0	-51.90	309.69	3.60	-48.30
O=C([O-])CC1(NS(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)CC1	REAL300017861430	0	49	-1.0	-66.91	378.98	5.22	-61.69
O=C([O-])CC1(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1	REAL300017861431	0	43	-1.0	-47.02	347.50	3.77	-43.25
O=C([O-])CC1(NS(=O)(=O)C2CN(C(=O)C3=CC=CC(Cl)=C3)C2)CC1	REAL300017861432	0	40	-1.0	-49.03	353.26	4.33	-44.70
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861433	0	37	-1.0	-56.07	330.50	6.02	-50.05
N#CC1(CS(=O)(=O)NC2(CC(=O)[O-])CC2)CCCCC1	REAL300017861434	0	39	-1.0	-69.25	313.23	4.49	-64.76
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)CC1	REAL300017861435	0	38	-1.0	-45.09	316.35	4.62	-40.47
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)CC1	REAL300017861436	0	44	-1.0	-48.14	376.37	5.56	-42.58
O=C([O-])CC1(NS(=O)(=O)C2=CN(CC(F)F)N=C2)CC1	REAL300017861437	0	32	-1.0	-56.05	300.37	2.53	-53.52
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1F	REAL300017861438	0	33	-1.0	-44.28	293.32	2.88	-41.40
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861439	0	40	-1.0	-49.45	326.75	4.35	-45.10
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861440	0	43	-1.0	-61.49	374.80	4.93	-56.56
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CC1	REAL300017861441	0	43	-1.0	-56.98	375.45	6.76	-50.22
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)CC1	REAL300017861442	0	29	-1.0	-40.88	285.67	4.56	-36.32
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C2O1	REAL300017861443	0	44	-1.0	-46.85	382.29	6.01	-40.84
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861444	0	41	-1.0	-59.51	351.49	5.81	-53.70
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CC1	REAL300017861445	0	29	-1.0	-42.03	278.50	4.05	-37.98
CC1=C(Cl)SC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861446	0	29	-1.0	-51.65	290.57	3.94	-47.71
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(F)=C1	REAL300017861447	0	33	-1.0	-58.05	279.69	2.89	-55.16
CC1=CC=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300017861448	0	37	-1.0	-55.81	312.83	6.31	-49.50
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CC1	REAL300017861449	0	35	-1.0	-43.01	319.59	5.12	-37.89
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300017861450	0	39	-1.0	-47.89	346.19	6.49	-41.40
COC(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861451	0	37	-1.0	-49.33	326.23	1.48	-47.85
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)CC1	REAL300017861452	0	35	-1.0	-48.39	303.38	3.75	-44.64
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(C(F)F)=C2)CC1	REAL300017861454	0	32	-1.0	-45.15	292.77	4.26	-40.89
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)CC1	REAL300017861455	0	32	-1.0	-50.05	317.40	5.24	-44.81
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)CC1	REAL300017861456	0	32	-1.0	-54.71	288.94	4.59	-50.12
CC1=CC(Br)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861457	0	32	-1.0	-52.43	304.31	4.99	-47.44
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861458	0	40	-1.0	-63.44	319.46	1.64	-61.80
CSC1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861459	0	33	-1.0	-60.24	276.84	4.17	-56.07
CC(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Br	REAL300017861460	0	36	-1.0	-47.84	331.82	3.02	-44.82
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861461	0	40	-1.0	-71.72	338.06	3.76	-67.96
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CC1	REAL300017861462	0	41	-1.0	-58.59	349.31	3.85	-54.74
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)CC1	REAL300017861463	0	35	-1.0	-44.07	339.08	1.46	-42.61
COC1=C(F)C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017861464	0	35	-1.0	-45.02	322.17	4.16	-40.86
COC(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017861465	0	39	-1.0	-49.13	348.45	2.77	-46.36
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)CC1	REAL300017861466	0	40	-1.0	-56.38	356.45	5.32	-51.06
COC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(OC)=C1	REAL300017861467	0	39	-1.0	-46.33	336.77	4.26	-42.07
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861468	0	32	-1.0	-51.12	299.89	5.10	-46.02
CC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300017861469	0	37	-1.0	-54.69	311.70	5.61	-49.08
O=C([O-])CC1(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)CC1	REAL300017861470	0	37	-1.0	-64.87	321.75	4.89	-59.98
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861471	0	45	-1.0	-54.38	395.05	2.00	-52.38
O=C([O-])CC1(NS(=O)(=O)C2CCS(=O)(=O)CC2)CC1	REAL300017861472	0	35	-1.0	-65.66	299.79	-0.04	-65.70
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C21	REAL300017861473	0	39	-1.0	-56.50	336.26	4.49	-52.01
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CC1	REAL300017861474	0	34	-1.0	-57.65	309.87	3.88	-53.77
COC1=CC(F)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(F)=C1	REAL300017861475	0	33	-1.0	-44.83	296.29	2.96	-41.87
CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1	REAL300017861476	0	39	-1.0	-53.09	326.72	4.65	-48.44
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861477	0	37	-1.0	-55.75	334.21	-0.32	-56.07
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861478	0	38	-1.0	-57.77	330.39	5.17	-52.60
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2OC(F)F)CC1	REAL300017861479	0	33	-1.0	-47.18	296.13	3.98	-43.20
CSC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861480	0	33	-1.0	-55.94	299.85	5.03	-50.91
CCCOC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861481	0	41	-1.0	-45.41	356.72	5.71	-39.70
O=C([O-])CC1(NS(=O)(=O)C2=CC3=C(C=C2Br)OCCO3)CC1	REAL300017861482	0	35	-1.0	-54.40	318.89	3.52	-50.88
CCC(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861483	0	39	-1.0	-51.49	336.09	2.96	-48.53
O=C([O-])CC1(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300017861484	0	35	-1.0	-60.01	320.71	5.32	-54.69
CCN(CC1=CC=CC=C1)S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861485	0	40	-1.0	-52.37	321.75	5.40	-46.97
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)N=C2Cl)CC1	REAL300017861486	0	28	-1.0	-50.55	269.90	2.10	-48.45
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC3=C2OCCO3)CC1	REAL300017861487	0	35	-1.0	-50.18	280.83	3.15	-47.03
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC3=NC=CC=C23)CC1	REAL300017861488	0	34	-1.0	-55.59	297.34	4.20	-51.39
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)CC1	REAL300017861489	0	41	-1.0	-47.82	351.40	5.24	-42.58
O=C([O-])CC1(NS(=O)(=O)C2=CC(Br)=CC=C2F)CC1	REAL300017861490	0	29	-1.0	-44.10	274.36	3.86	-40.24
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(F)(F)F	REAL300017861491	0	35	-1.0	-46.77	312.03	5.02	-41.75
O=C([O-])CC1(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CC1	REAL300017861492	0	35	-1.0	-54.84	333.26	4.40	-50.44
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C12	REAL300017861493	0	37	-1.0	-47.38	323.86	3.17	-44.21
O=C([O-])CC1(NS(=O)(=O)CC2=CC=C(Br)C=C2F)CC1	REAL300017861494	0	32	-1.0	-60.12	305.87	5.24	-54.88
O=C([O-])CC1(NS(=O)(=O)CC2CCCN2C(=O)OCC2=CC=CC=C2)CC1	REAL300017861495	0	50	-1.0	-49.87	404.87	7.70	-42.17
CC1=NOC2=NC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C12	REAL300017861496	0	33	-1.0	-52.99	301.37	0.68	-52.31
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(CCCCl)C=C2)CC1	REAL300017861497	0	38	-1.0	-44.28	340.15	6.18	-38.10
O=C([O-])CC1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)CC1	REAL300017861498	0	31	-1.0	-53.92	302.76	5.02	-48.90
COC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(C(=O)OC)S1	REAL300017861499	0	38	-1.0	-60.64	352.55	4.86	-55.78
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861500	0	35	-1.0	-60.08	310.08	5.14	-54.94
O=C([O-])CC1(NS(=O)(=O)CC2=CC=CC=C2Cl)CC1	REAL300017861501	0	32	-1.0	-47.07	294.34	4.61	-42.46
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)CC1	REAL300017861502	0	41	-1.0	-66.36	355.20	1.84	-64.52
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CN=C2S1	REAL300017861503	0	43	-1.0	-51.28	386.02	5.32	-45.96
O=C([O-])CC1(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300017861504	0	36	-1.0	-58.00	328.20	4.10	-53.90
O=C([O-])CC1(NS(=O)(=O)C2=CC(Br)=CC=C2Cl)CC1	REAL300017861505	0	29	-1.0	-43.38	277.63	4.13	-39.25
COC1=CC(OC)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Br	REAL300017861506	0	37	-1.0	-48.40	333.44	3.56	-44.84
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CN=C21	REAL300017861507	0	37	-1.0	-42.50	327.98	0.80	-41.70
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(COCC(F)(F)C(F)F)=C2)CC1	REAL300017861508	0	42	-1.0	-48.43	379.63	5.51	-42.92
CCOC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1F	REAL300017861544	0	38	-1.0	-44.20	339.79	4.94	-39.26
O=C([O-])CC1(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC1	REAL300017861545	0	37	-1.0	-57.99	322.25	4.19	-53.80
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=CC=C2Cl)CC1	REAL300017861546	0	29	-1.0	-43.89	262.73	3.56	-40.33
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861547	0	48	-1.0	-63.77	378.84	6.49	-57.28
O=C([O-])CC1(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CC1	REAL300017861548	0	32	-1.0	-47.45	308.40	5.16	-42.29
N#CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(Cl)=C1	REAL300017861549	0	30	-1.0	-54.39	275.18	4.21	-50.18
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300017861550	0	36	-1.0	-50.50	319.80	2.95	-47.55
CC1CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C2O1	REAL300017861551	0	37	-1.0	-46.51	315.56	3.94	-42.57
COC1=CC(Cl)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300017861552	0	33	-1.0	-44.45	301.83	3.35	-41.10
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861553	0	41	-1.0	-53.74	316.14	6.93	-46.81
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861554	0	41	-1.0	-57.32	347.19	2.53	-54.79
COC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CS1	REAL300017861555	0	32	-1.0	-47.88	306.01	3.07	-44.81
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861556	0	38	-1.0	-61.07	339.92	6.13	-54.94
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CC1	REAL300017861557	0	40	-1.0	-46.62	364.21	6.73	-39.89
O=C([O-])CC1(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300017861558	0	35	-1.0	-57.04	327.41	4.36	-52.68
O=C([O-])CC1(NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300017861559	0	35	-1.0	-54.50	343.58	4.85	-49.65
COC(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1C	REAL300017861560	0	38	-1.0	-55.09	324.95	4.88	-50.21
O=C([O-])CC1(NS(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)CC1	REAL300017861561	0	31	-1.0	-50.76	310.92	4.98	-45.78
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861562	0	33	-1.0	-51.04	313.39	4.52	-46.52
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861563	0	41	-1.0	-54.42	341.16	4.27	-50.15
CCOC(=O)N1CCC(S(=O)(=O)NC2(CC(=O)[O-])CC2)CC1	REAL300017861564	0	43	-1.0	-49.86	339.31	3.00	-46.86
CC1=NC(C2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2)=CO1	REAL300017861565	0	38	-1.0	-48.79	334.98	2.40	-46.39
O=C([O-])CC1(NS(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)CC1	REAL300017861566	0	28	-1.0	-47.72	286.92	2.65	-45.07
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3OCCCC3=C2)CC1	REAL300017861567	0	37	-1.0	-46.33	311.81	3.91	-42.42
COC1=CC=C(Cl)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861568	0	33	-1.0	-46.88	285.82	2.81	-44.07
COC(=O)C1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CC=C2S1	REAL300017861569	0	38	-1.0	-58.41	342.21	6.52	-51.89
O=C([O-])CC1(NS(=O)(=O)C2CCN(C(=O)OCC3=CC=CC=C3)CC2)CC1	REAL300017861570	0	50	-1.0	-50.26	399.22	6.05	-44.21
O=C([O-])CC1(NS(=O)(=O)C2CCCN(C(=O)OCC3=CC=CC=C3)C2)CC1	REAL300017861571	0	50	-1.0	-53.60	401.35	6.31	-47.29
COC(=O)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861572	0	38	-1.0	-47.17	335.56	4.78	-42.39
CC1=CC=C(N2C=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=N2)C=C1	REAL300017861573	0	39	-1.0	-48.77	340.95	5.05	-43.72
O=C([O-])CC1(NS(=O)(=O)[C@@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)CC1	REAL300017861574	0	47	-1.0	-54.41	397.86	5.58	-48.83
O=C([O-])CC1(NS(=O)(=O)[C@H]2CCN(C(=O)OCC3=CC=CC=C3)C2)CC1	REAL300017861575	0	47	-1.0	-58.38	385.47	5.63	-52.75
O=C([O-])CC1(NS(=O)(=O)C2CN(C(=O)OCC3=CC=CC=C3)C2)CC1	REAL300017861576	0	44	-1.0	-59.28	379.84	4.88	-54.40
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)S1	REAL300017861577	0	31	-1.0	-52.14	299.73	4.04	-48.10
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C21	REAL300017861578	0	40	-1.0	-69.47	335.29	4.60	-64.87
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(Cl)=C2Br)CC1	REAL300017861579	0	29	-1.0	-52.30	280.46	4.70	-47.60
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)CC1	REAL300017861580	0	29	-1.0	-39.85	294.74	4.40	-35.45
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861581	0	39	-1.0	-45.39	314.72	4.56	-40.83
COC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300017861582	0	35	-1.0	-44.14	317.91	4.01	-40.13
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861583	0	33	-1.0	-48.00	286.63	4.24	-43.76
N#CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Br	REAL300017861584	0	30	-1.0	-41.96	299.09	4.21	-37.75
COC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300017861585	0	36	-1.0	-54.84	318.39	4.28	-50.56
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)S1	REAL300017861586	0	35	-1.0	-49.69	337.32	4.62	-45.07
CC(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300017861587	0	36	-1.0	-47.63	318.71	2.40	-45.23
COC1=CC(Cl)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1OC	REAL300017861588	0	37	-1.0	-46.54	312.85	3.02	-43.52
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CC1	REAL300017861589	0	33	-1.0	-45.87	303.02	3.15	-42.72
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)CC1	REAL300017861590	0	32	-1.0	-44.29	301.93	4.57	-39.72
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C	REAL300017861591	0	40	-1.0	-46.93	350.37	0.23	-46.70
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C2S1	REAL300017861592	0	41	-1.0	-54.58	371.09	6.60	-47.98
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(Br)=C1	REAL300017861593	0	33	-1.0	-50.59	292.76	3.53	-47.06
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300017861594	0	34	-1.0	-58.21	315.36	-1.06	-59.27
CC1=CC2=C(C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1)OCO2	REAL300017861595	0	35	-1.0	-54.90	300.92	3.07	-51.83
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)CC1	REAL300017861596	0	35	-1.0	-54.57	325.19	5.00	-49.57
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861597	0	35	-1.0	-53.20	311.18	4.70	-48.50
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C=C2Cl)CC1	REAL300017861598	0	29	-1.0	-42.18	273.02	4.00	-38.18
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861599	0	35	-1.0	-48.99	287.13	4.89	-44.10
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC=C2Br)CC1	REAL300017861600	0	29	-1.0	-53.34	294.35	4.99	-48.35
COC1=CC2=C(C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1)OCC(=O)N2	REAL300017861601	0	39	-1.0	-50.78	320.41	0.95	-49.83
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC3=NSN=C32)CC1	REAL300017861602	0	30	-1.0	-48.08	273.05	1.88	-46.20
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(Br)=C2F)CC1	REAL300017861603	0	29	-1.0	-58.11	271.45	4.04	-54.07
COC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1OC	REAL300017861604	0	39	-1.0	-47.29	339.68	4.22	-43.07
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861605	0	33	-1.0	-59.22	311.23	0.95	-58.27
CC1(C)CC2=CC=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=C2O1	REAL300017861606	0	40	-1.0	-62.33	325.20	5.17	-57.16
N#CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300017861607	0	33	-1.0	-45.40	314.21	4.69	-40.71
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861648	0	30	-1.0	-52.99	290.26	4.48	-48.51
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)N(C)C	REAL300017861649	0	43	-1.0	-51.40	361.61	2.83	-48.57
CC1CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC(Cl)=C2O1	REAL300017861650	0	37	-1.0	-43.90	332.34	4.43	-39.47
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300017861651	0	34	-1.0	-43.92	302.17	4.70	-39.22
CCOC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300017861652	0	43	-1.0	-45.40	373.21	6.01	-39.39
CC1=CC=C(Br)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861653	0	32	-1.0	-55.41	299.04	5.13	-50.28
COC(=O)C1=COC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861654	0	32	-1.0	-55.36	300.99	2.45	-52.91
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300017861655	0	40	-1.0	-56.84	347.76	4.34	-52.50
O=C([O-])CC1(NS(=O)(=O)C2=CN=C3C=CSC3=C2)CC1	REAL300017861656	0	31	-1.0	-53.04	293.61	3.19	-49.85
CC(=O)N(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861657	0	39	-1.0	-51.02	331.97	3.76	-47.26
CC(=O)NC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1C	REAL300017861658	0	39	-1.0	-62.22	331.18	3.28	-58.94
O=C([O-])CC1(NS(=O)(=O)CC2=NOC3=CC=CC=C32)CC1	REAL300017861659	0	34	-1.0	-49.99	304.22	3.50	-46.49
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC3=C2NC(=O)CO3)CC1	REAL300017861660	0	35	-1.0	-58.69	307.29	1.40	-57.29
CN1CCCC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C21	REAL300017861661	0	41	-1.0	-50.29	331.95	4.06	-46.23
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CC1	REAL300017861662	0	31	-1.0	-45.44	293.08	2.82	-42.62
CC1=CC=C(Cl)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861663	0	32	-1.0	-45.42	277.74	4.17	-41.25
COC1=CC=CC(OC)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861664	0	37	-1.0	-50.38	312.35	3.86	-46.52
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CN=C1Cl	REAL300017861665	0	31	-1.0	-42.27	289.28	2.46	-39.81
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)CC1	REAL300017861666	0	35	-1.0	-47.07	309.76	2.21	-44.86
O=C([O-])CC1(NS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)CC1	REAL300017861667	0	28	-1.0	-39.58	279.48	2.91	-36.67
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)S1	REAL300017861668	0	38	-1.0	-55.69	331.55	5.15	-50.54
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC(OC)=C1	REAL300017861669	0	37	-1.0	-56.35	320.60	2.31	-54.04
N#CC1=CC=C(Cl)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861670	0	30	-1.0	-44.50	277.17	3.89	-40.61
CN1C=NC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C21	REAL300017861671	0	35	-1.0	-61.04	304.73	4.91	-56.13
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300017861672	0	37	-1.0	-50.15	311.73	5.21	-44.94
CCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1CC	REAL300017861673	0	41	-1.0	-46.76	334.66	6.07	-40.69
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861674	0	37	-1.0	-47.78	308.91	5.47	-42.31
CC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1Cl	REAL300017861675	0	32	-1.0	-45.73	274.90	4.08	-41.65
COC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(C)O1	REAL300017861676	0	35	-1.0	-50.60	295.83	2.73	-47.87
NC1=NC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861677	0	30	-1.0	-49.75	282.28	1.20	-48.55
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CC1	REAL300017861678	0	35	-1.0	-62.32	310.36	5.59	-56.73
COC(=O)C1=NSC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861679	0	31	-1.0	-56.06	279.81	2.33	-53.73
COC(=O)C1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)SC=N1	REAL300017861680	1	31	-1.0	-56.46	282.78	1.60	-54.86
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC(C)=C1F	REAL300017861681	0	35	-1.0	-51.44	308.55	5.03	-46.41
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)CC1	REAL300017861682	0	37	-1.0	-66.08	321.20	2.15	-63.93
O=C([O-])CC1(NS(=O)(=O)N2CCC3(CC2)OCCO3)CC1	REAL300017861683	0	40	-1.0	-46.17	321.78	1.80	-44.37
COC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CN1C	REAL300017861684	0	36	-1.0	-46.53	320.15	3.44	-43.09
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861685	0	40	-1.0	-47.84	341.20	5.16	-42.68
O=C([O-])CC1(NS(=O)(=O)CC2=CC(Cl)=CC=C2F)CC1	REAL300017861686	0	32	-1.0	-58.81	303.90	4.87	-53.94
O=C([O-])CC1(NS(=O)(=O)CC2=CC=C(F)C(Cl)=C2)CC1	REAL300017861687	0	32	-1.0	-58.52	304.57	4.89	-53.63
O=C([O-])CC1(NS(=O)(=O)C2=C(F)C=CC=C2Cl)CC1	REAL300017861688	0	29	-1.0	-61.56	275.60	4.73	-56.83
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CN=C1Cl	REAL300017861689	0	32	-1.0	-43.21	298.42	1.40	-41.81
N#CC1=CC=C(F)C(CS(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861690	0	33	-1.0	-61.07	308.02	4.75	-56.32
COC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300017861691	0	34	-1.0	-51.48	312.35	2.53	-48.95
O=C([O-])CC1(NS(=O)(=O)C2=C(Cl)C=CN=C2Cl)CC1	REAL300017861692	0	28	-1.0	-54.06	276.39	3.08	-50.98
COC1=CC(C#N)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861693	0	34	-1.0	-42.10	301.89	4.42	-37.68
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861694	0	35	-1.0	-53.42	333.12	4.87	-48.55
O=C([O-])CC1(NS(=O)(=O)C2=CC3=C(C=C2Cl)NC(=O)O3)CC1	REAL300017861695	0	32	-1.0	-53.13	288.63	0.99	-52.14
CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300017861696	0	35	-1.0	-51.35	310.65	1.31	-50.04
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861697	0	38	-1.0	-54.67	343.63	1.54	-53.13
CC(=O)NC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1F	REAL300017861698	0	36	-1.0	-47.22	319.13	2.40	-44.82
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C21	REAL300017861699	0	43	-1.0	-56.14	349.88	4.72	-51.42
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861700	0	35	-1.0	-50.53	315.22	5.37	-45.16
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861701	0	46	-1.0	-61.67	386.41	2.92	-58.75
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861702	0	39	-1.0	-60.62	335.48	1.02	-59.60
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2CC1	REAL300017861703	0	46	-1.0	-48.96	371.52	5.22	-43.74
COC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(F)(F)F	REAL300017861704	0	38	-1.0	-43.44	342.55	4.97	-38.47
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861705	0	38	-1.0	-45.40	316.55	5.42	-39.98
O=C([O-])CC1(NS(=O)(=O)C2=CSC3=CC=CC=C23)CC1	REAL300017861706	0	32	-1.0	-42.83	288.49	4.85	-37.98
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)CC1	REAL300017861707	0	32	-1.0	-52.30	302.33	5.46	-46.84
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861708	0	43	-1.0	-48.38	370.09	1.52	-46.86
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861709	0	42	-1.0	-53.86	346.26	5.29	-48.57
CCOC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1C	REAL300017861710	0	41	-1.0	-48.30	350.81	5.55	-42.75
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861711	0	41	-1.0	-51.96	357.37	5.69	-46.27
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1OC	REAL300017861712	0	40	-1.0	-58.25	353.37	3.69	-54.56
CCOC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(F)C=C1C	REAL300017861713	0	41	-1.0	-45.50	342.02	5.59	-39.91
O=C([O-])CC1(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)CC1	REAL300017861714	0	35	-1.0	-56.87	320.43	5.61	-51.26
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861715	0	38	-1.0	-48.95	329.66	4.81	-44.14
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CC1	REAL300017861716	0	39	-1.0	-46.40	332.75	6.74	-39.66
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861717	0	43	-1.0	-50.16	377.76	1.13	-49.03
O=C([O-])CC1(NS(=O)(=O)CC2=CC=CC=C2Br)CC1	REAL300017861718	0	32	-1.0	-46.67	297.57	4.71	-41.96
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CN1C	REAL300017861719	0	41	-1.0	-45.42	360.99	4.56	-40.86
O=C([O-])CC1(NS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)CC1	REAL300017861720	0	33	-1.0	-44.37	306.04	4.30	-40.07
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)CC1	REAL300017861721	0	32	-1.0	-45.77	290.81	4.20	-41.57
CC1=NC(Cl)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861722	0	31	-1.0	-47.34	277.75	2.69	-44.65
CC1=NC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(Br)N1C	REAL300017861723	0	32	-1.0	-60.32	302.67	3.09	-57.23
O=C([O-])CC1(NS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)CC1	REAL300017861724	0	30	-1.0	-41.15	280.96	2.36	-38.79
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861725	0	42	-1.0	-45.20	353.94	4.25	-40.95
COC(=O)C1=CC(Br)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)S1	REAL300017861726	1	32	-1.0	-42.79	322.99	3.80	-38.99
COC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(F)=C1	REAL300017861727	0	35	-1.0	-44.83	307.69	3.90	-40.93
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861728	0	40	-1.0	-53.62	339.69	3.23	-50.39
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)OC(C)C	REAL300017861729	0	44	-1.0	-48.92	371.05	6.26	-42.66
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861730	0	41	-1.0	-54.03	362.28	2.55	-51.48
COCCOC1=C(Cl)C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300017861731	0	40	-1.0	-50.62	377.43	4.30	-46.32
COC(=O)C1(CS(=O)(=O)NC2(CC(=O)[O-])CC2)CCCC1	REAL300017861732	0	41	-1.0	-65.93	332.41	4.68	-61.25
COCC1=CC(Cl)=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861733	0	36	-1.0	-53.84	333.41	3.93	-49.91
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300017861734	0	35	-1.0	-43.00	312.03	5.01	-37.99
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CC1	REAL300017861735	0	40	-1.0	-44.42	365.12	6.75	-37.67
COC(=O)CC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861736	0	38	-1.0	-52.09	335.51	4.77	-47.32
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COC1=CC(C(C)C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C	REAL300017861782	0	45	-1.0	-56.02	360.62	5.76	-50.26
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COC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1OC	REAL300017861802	0	37	-1.0	-56.86	305.01	3.41	-53.45
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COC1=CC=C(F)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1OC	REAL300017861805	0	37	-1.0	-60.69	325.18	3.84	-56.85
COC(=O)C1=C(Br)OC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861806	1	32	-1.0	-42.95	316.28	3.25	-39.70
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CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C2CCCC2)=N1	REAL300017861808	0	42	-1.0	-52.33	339.70	4.16	-48.17
N#CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CC=C2S1	REAL300017861809	0	33	-1.0	-57.59	312.98	5.55	-52.04
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CN1N=NC2=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=CC=C21	REAL300017861815	0	34	-1.0	-52.77	293.19	1.90	-50.87
CC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Br	REAL300017861817	0	35	-1.0	-54.45	312.43	5.63	-48.82
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CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C2CCC2)=N1	REAL300017861820	0	39	-1.0	-53.52	332.22	3.95	-49.57
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861821	0	47	-1.0	-57.01	371.42	7.64	-49.37
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)CC1	REAL300017861822	0	35	-1.0	-40.26	328.40	5.15	-35.11
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CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861826	0	42	-1.0	-59.39	348.41	1.74	-57.65
COC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300017861827	0	38	-1.0	-57.04	323.72	4.53	-52.51
COC(=O)C1=NN(C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861828	0	35	-1.0	-50.88	309.33	2.08	-48.80
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COC(=O)C1=CC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2C=C1	REAL300017861830	0	41	-1.0	-47.00	359.02	6.05	-40.95
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CC(C)(C)N1N=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861832	0	38	-1.0	-54.44	301.93	4.38	-50.06
CC(C)(C)N1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300017861833	0	38	-1.0	-54.91	325.82	3.40	-51.51
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CN=C1C(F)(F)F	REAL300017861834	0	34	-1.0	-50.36	311.54	3.44	-46.92
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COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861845	0	39	-1.0	-43.30	354.81	4.10	-39.20
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CS(=O)(=O)C1=CSC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861855	0	32	-1.0	-63.26	312.51	-0.01	-63.27
CN(C1CCCCCC1)S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861856	0	43	-1.0	-44.18	324.05	4.44	-39.74
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CC(F)(F)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861859	0	35	-1.0	-41.08	311.83	4.85	-36.23
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COC(=O)[C@@H]1CCCN1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861915	0	37	-1.0	-47.38	311.76	3.42	-43.96
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CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861918	0	35	-1.0	-62.49	297.24	5.50	-56.99
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CCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C2CC2)=N1	REAL300017861923	0	39	-1.0	-53.72	338.90	4.22	-49.50
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=NSN=C2C=C1	REAL300017861924	0	33	-1.0	-63.15	296.95	3.31	-59.84
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CC(=O)OC1CCN(S(=O)(=O)NC2(CC(=O)[O-])CC2)C1	REAL300017861926	0	37	-1.0	-46.36	313.79	2.82	-43.54
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COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C(F)F)=C1	REAL300017861963	0	36	-1.0	-57.08	308.83	4.00	-53.08
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861964	0	35	-1.0	-41.22	317.35	2.21	-39.01
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=NC=CC=C12	REAL300017861965	0	37	-1.0	-54.10	298.60	5.44	-48.66
O=C([O-])CC1(NC(=O)N2CC(OCC3=CC=CC=C3)C2)CC1	REAL300017861966	0	41	-1.0	-47.63	349.22	7.00	-40.63
CC(C)(C)OC(=O)NC1CN(C(=O)NC2(CC(=O)[O-])CC2)C1	REAL300017861967	0	44	-1.0	-52.26	360.02	3.79	-48.47
O=C([O-])CC1(NS(=O)(=O)N2CC=C(Br)CC2)CC1	REAL300017861968	0	32	-1.0	-53.74	293.09	3.44	-50.30
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861970	0	42	-1.0	-48.86	345.17	5.63	-43.23
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C(Cl)S1	REAL300017861971	0	29	-1.0	-51.75	283.26	4.02	-47.73
O=C([O-])CC1(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)CC1	REAL300017861972	0	36	-1.0	-45.26	325.35	4.44	-40.82
CCN1C=C(S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C)C=C1C(=O)[O-]	REAL300017861973	0	48	-1.0	-59.23	410.63	6.43	-52.80
CC(C)(C)OC(=O)C(CCC#N)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017861974	0	44	-1.0	-59.61	381.61	6.22	-53.39
CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C)C=C1C(=O)[O-]	REAL300017861975	0	47	-1.0	-59.22	400.68	6.73	-52.49
CC(C)(C)OC(=O)C(CCC#N)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017861976	0	44	-1.0	-54.78	385.76	6.20	-48.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C)=C1C	REAL300017861977	0	50	-1.0	-55.72	418.33	7.69	-48.03
CC(C)(C)OC(=O)C(CCC#N)NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017861978	0	44	-1.0	-54.74	400.98	6.17	-48.57
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C	REAL300017861979	0	47	-1.0	-54.20	397.15	7.06	-47.14
CC(C)(C)OC(=O)C(CCC#N)NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017861980	0	41	-1.0	-54.30	379.90	5.25	-49.05
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C	REAL300017861981	0	50	-1.0	-51.76	401.06	8.00	-43.76
CN1C=C(S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C)C=C1C(=O)[O-]	REAL300017861982	0	45	-1.0	-58.50	389.32	5.56	-52.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C)=C1	REAL300017861983	0	44	-1.0	-52.08	395.52	5.96	-46.12
CC1=C(C(=O)[O-])C(S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C)=C(C)O1	REAL300017861984	0	47	-1.0	-49.18	398.17	6.57	-42.61
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C	REAL300017861985	0	47	-1.0	-58.79	394.36	7.05	-51.74
CCC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C)C=C1C(=O)[O-]	REAL300017861986	0	50	-1.0	-55.55	419.13	7.35	-48.20
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C)=CC=C1C(=O)[O-]	REAL300017861987	0	47	-1.0	-54.27	400.80	6.71	-47.56
CC1=C(S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C)C=C(C(=O)[O-])S1	REAL300017861988	0	44	-1.0	-53.33	390.81	6.34	-46.99
CC1=CC(C)=C(S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C)C=C1C(=O)[O-]	REAL300017861989	0	50	-1.0	-53.27	413.17	7.56	-45.71
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C	REAL300017861990	0	48	-1.0	-55.74	407.55	5.28	-50.46
CC(C)(C)OC(=O)C(CCC#N)NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017861991	0	41	-1.0	-57.39	373.74	5.25	-52.14
CC1=C(S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C)C=C(C(=O)[O-])O1	REAL300017861992	0	44	-1.0	-59.53	374.20	5.22	-54.31
CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C)C(C)=C1C(=O)[O-]	REAL300017861993	0	50	-1.0	-62.81	419.95	7.77	-55.04
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C	REAL300017861994	0	47	-1.0	-54.92	396.84	7.00	-47.92
CC(C)(C)OC(=O)C(CCC#N)NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017861995	0	44	-1.0	-53.45	388.32	6.27	-47.18
CC(C)(C)OC(=O)C(CCC#N)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017861996	0	44	-1.0	-57.23	390.91	6.26	-50.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CCC#N)C(=O)OC(C)(C)C	REAL300017861997	0	48	-1.0	-53.96	413.42	6.11	-47.85
CC(C)(C)OC(=O)C(CCC#N)NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017861998	0	45	-1.0	-59.36	395.20	4.27	-55.09
CC(C)(C)OC(=O)C(CCC#N)NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017861999	0	48	-1.0	-59.17	417.82	7.52	-51.65
CC(C)(C)OC(=O)C(CCC#N)NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017862000	0	50	-1.0	-56.39	429.97	7.80	-48.59
CC1CC1C(NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017866838	0	35	-1.0	-45.66	314.29	5.18	-40.48
CC1CC1C(NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017866839	0	35	-1.0	-38.37	334.99	5.73	-32.64
CC1CC1C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017866840	0	35	-1.0	-42.91	331.82	5.44	-37.47
CC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C1	REAL300017866841	0	35	-1.0	-44.78	327.78	5.65	-39.13
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866842	0	43	-1.0	-61.62	344.55	2.54	-59.08
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866843	0	36	-1.0	-60.41	321.58	5.41	-55.00
CC1CC1C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017866844	0	43	-1.0	-68.52	368.48	4.37	-64.15
CC1CC1C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017866845	0	44	-1.0	-56.86	376.98	4.29	-52.57
COC1=C(F)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1[N+](=O)[O-]	REAL300017866846	0	38	-1.0	-47.93	350.13	5.15	-42.78
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1[N+](=O)[O-]	REAL300017866847	0	42	-1.0	-54.22	374.35	3.52	-50.70
CC1CC1C(NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017866848	0	43	-1.0	-59.12	385.53	6.12	-53.00
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C(OC)=C1	REAL300017866849	0	42	-1.0	-46.17	365.80	4.80	-41.37
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866850	0	35	-1.0	-53.05	329.53	5.94	-47.11
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1[N+](=O)[O-]	REAL300017866851	0	40	-1.0	-60.40	345.54	6.28	-54.12
CC1CC1C(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017866852	0	40	-1.0	-54.24	340.68	5.43	-48.81
CC1CC1C(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017866853	0	38	-1.0	-63.80	326.27	0.70	-63.10
CC1CC1C(NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017866854	0	42	-1.0	-56.96	364.90	5.19	-51.77
CC1CC1C(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017866855	0	37	-1.0	-45.90	327.80	4.40	-41.50
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C(F)=C1	REAL300017866856	0	36	-1.0	-44.64	317.08	3.79	-40.85
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C(C)=C1	REAL300017866857	0	42	-1.0	-44.77	346.61	5.35	-39.42
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C1	REAL300017866858	0	40	-1.0	-61.58	361.26	0.45	-61.13
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866859	0	41	-1.0	-60.81	357.97	6.11	-54.70
CC1CC1C(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017866860	0	36	-1.0	-44.49	302.04	4.46	-40.03
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1	REAL300017866861	0	36	-1.0	-43.22	319.71	5.24	-37.98
CCCOC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1	REAL300017866862	0	44	-1.0	-42.52	377.65	6.61	-35.91
CCC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1	REAL300017866863	0	42	-1.0	-47.98	356.18	3.93	-44.05
CC1CC1C(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017866864	0	38	-1.0	-44.60	346.46	6.06	-38.54
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866865	0	43	-1.0	-56.17	350.68	5.93	-50.24
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)N=C1C	REAL300017866866	0	38	-1.0	-59.17	332.96	4.12	-55.05
CC1CC1C(NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017866867	0	31	-1.0	-48.80	312.96	3.52	-45.28
CC1CC1C(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017866868	0	38	-1.0	-49.00	325.97	3.96	-45.04
CC1CC1C(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300017866869	0	37	-1.0	-55.38	322.03	4.79	-50.59
CC1CC1C(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017866870	0	44	-1.0	-57.71	381.61	6.35	-51.36
CC1CC1C(NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017866871	0	32	-1.0	-48.10	299.38	4.51	-43.59
CC1CC1C(NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017866872	0	32	-1.0	-42.12	309.87	4.96	-37.16
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1C(F)(F)F	REAL300017866873	0	38	-1.0	-55.54	339.08	5.79	-49.75
CC1CC1C(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017866874	0	38	-1.0	-58.77	358.73	5.06	-53.71
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3C)C=C12	REAL300017866875	0	40	-1.0	-47.85	351.39	4.11	-43.74
CC1CC1C(NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017866876	0	35	-1.0	-44.99	334.02	5.69	-39.30
CC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3C)C=C12	REAL300017866877	0	36	-1.0	-46.04	324.83	1.35	-44.69
CC1CC1C(NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017866878	0	41	-1.0	-46.15	366.61	7.22	-38.93
COCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C1	REAL300017866879	0	39	-1.0	-46.23	340.14	4.09	-42.14
CC1CC1C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017866880	0	34	-1.0	-56.44	332.57	5.78	-50.66
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C(C(=O)OC)S1	REAL300017866881	0	41	-1.0	-46.39	374.20	5.44	-40.95
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866882	0	38	-1.0	-60.32	336.32	5.89	-54.43
CC1CC1C(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017866883	0	35	-1.0	-44.74	314.36	5.34	-39.40
CC1CC1C(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017866884	0	44	-1.0	-59.62	376.12	2.73	-56.89
CC1CC1C(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017866885	0	39	-1.0	-40.66	349.64	4.75	-35.91
CC1CC1C(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017866886	0	32	-1.0	-41.39	321.25	5.59	-35.80
CC1CC1C(NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017866887	0	40	-1.0	-50.36	356.37	1.71	-48.65
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=CC=C1F	REAL300017866920	0	41	-1.0	-51.41	367.82	5.92	-45.49
CC1CC1C(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017866921	0	40	-1.0	-57.72	349.55	4.98	-52.74
CC1CC1C(NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017866922	0	32	-1.0	-40.31	301.06	4.88	-35.43
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866923	0	51	-1.0	-54.91	410.55	8.15	-46.76
CC1CC1C(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017866924	0	35	-1.0	-58.11	337.35	5.92	-52.19
CC1CC1C(NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017866925	0	33	-1.0	-38.73	310.07	5.10	-33.63
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1Cl	REAL300017866926	0	39	-1.0	-51.44	357.88	3.83	-47.61
CC1CC1C(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017866927	0	40	-1.0	-46.82	342.14	4.99	-41.83
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1Cl	REAL300017866928	0	36	-1.0	-53.72	346.44	4.80	-48.92
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866929	0	44	-1.0	-54.65	342.68	7.56	-47.09
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C1	REAL300017866930	0	44	-1.0	-61.21	373.14	3.28	-57.93
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=CS1	REAL300017866931	0	35	-1.0	-44.31	329.37	3.98	-40.33
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866932	0	41	-1.0	-46.35	367.07	6.84	-39.51
CC1CC1C(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017866933	0	43	-1.0	-45.30	387.52	7.66	-37.64
CC1CC1C(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017866934	0	38	-1.0	-55.04	353.32	5.01	-50.03
CC1CC1C(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017866935	0	38	-1.0	-58.53	369.05	5.51	-53.02
COC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C1C	REAL300017866936	0	41	-1.0	-55.56	351.56	5.77	-49.79
CC1CC1C(NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017866937	0	34	-1.0	-38.13	329.04	5.52	-32.61
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866938	0	36	-1.0	-51.41	343.19	4.90	-46.51
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866939	0	44	-1.0	-46.58	354.66	4.70	-41.88
CCOC(=O)N1CCC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)CC1	REAL300017866940	0	46	-1.0	-42.81	378.79	4.24	-38.57
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3C)C=C2)=CO1	REAL300017866941	0	41	-1.0	-48.07	355.92	3.29	-44.78
CC1CC1C(NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017866942	0	31	-1.0	-38.88	306.61	3.31	-35.57
CC1CC1C(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017866943	0	35	-1.0	-58.59	317.65	4.74	-53.85
CC1CC1C(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300017866944	0	35	-1.0	-52.04	310.70	2.94	-49.10
CC1CC1C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017866945	0	40	-1.0	-55.16	340.39	4.95	-50.21
COC1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C1	REAL300017866946	0	36	-1.0	-45.51	329.42	4.25	-41.26
COC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C2=CC=CC=C2S1	REAL300017866947	0	41	-1.0	-52.21	363.04	6.87	-45.34
COC(=O)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1	REAL300017866948	0	41	-1.0	-49.16	362.02	5.82	-43.34
CC1CC1C(NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017866949	0	39	-1.0	-55.91	326.22	6.09	-49.82
CC1=CC=C(N2C=C(S(=O)(=O)NC(C(=O)[O-])C3CC3C)C=N2)C=C1	REAL300017866950	0	42	-1.0	-52.78	367.40	6.08	-46.70
CC1CC1C(NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017866951	0	50	-1.0	-57.68	426.67	6.45	-51.23
CC1CC1C(NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017866952	0	50	-1.0	-53.84	410.99	5.95	-47.89
CC1CC1C(NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017866953	0	47	-1.0	-57.03	404.99	5.42	-51.61
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)S1	REAL300017866954	0	34	-1.0	-42.10	324.36	4.75	-37.35
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3C)C=C21	REAL300017866955	0	43	-1.0	-61.12	358.35	5.26	-55.86
CC1CC1C(NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017866956	0	32	-1.0	-52.92	319.18	5.56	-47.36
CC1CC1C(NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017866957	0	32	-1.0	-49.25	322.77	5.39	-43.86
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866958	0	42	-1.0	-47.42	337.92	5.76	-41.66
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=CC=C1C#N	REAL300017866959	0	36	-1.0	-52.23	326.60	5.20	-47.03
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1F	REAL300017866960	0	38	-1.0	-51.79	345.94	5.00	-46.79
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866961	0	36	-1.0	-45.36	332.55	4.67	-40.69
COC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C1	REAL300017866962	0	39	-1.0	-44.33	320.36	4.33	-40.00
CC1CC1C(NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017866963	0	33	-1.0	-49.60	327.14	5.22	-44.38
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1Cl	REAL300017866964	0	39	-1.0	-57.25	348.02	5.12	-52.13
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)S1	REAL300017866965	0	38	-1.0	-50.12	346.56	5.32	-44.80
CC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1F	REAL300017866966	0	39	-1.0	-56.89	347.83	3.33	-53.56
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1OC	REAL300017866967	0	40	-1.0	-54.42	359.63	4.15	-50.27
CC1CC1C(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017866968	0	36	-1.0	-53.20	332.11	3.96	-49.24
CC1CC1C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017866969	0	35	-1.0	-52.00	330.97	5.37	-46.63
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1C	REAL300017866970	0	43	-1.0	-58.10	378.50	1.28	-56.82
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3C)=CC=C2S1	REAL300017866971	0	44	-1.0	-55.54	399.21	7.32	-48.22
CC1CC1C(NS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300017866972	0	36	-1.0	-63.02	328.93	5.47	-57.55
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C(Br)=C1	REAL300017866973	0	36	-1.0	-53.58	333.81	4.40	-49.18
CC1CC1C(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017866974	0	37	-1.0	-61.01	343.53	-0.10	-61.11
CC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C)OCO2	REAL300017866975	0	38	-1.0	-55.56	309.64	4.11	-51.45
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866976	0	38	-1.0	-51.94	321.24	5.74	-46.20
CC1CC1C(NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017866977	0	32	-1.0	-39.81	311.39	5.32	-34.49
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866978	0	38	-1.0	-40.44	311.39	5.76	-34.68
CC1CC1C(NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017866979	0	32	-1.0	-53.74	321.08	5.63	-48.11
COC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C)OCC(=O)N2	REAL300017866980	0	42	-1.0	-46.48	361.78	1.36	-45.12
CC1CC1C(NS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300017866981	0	30	-1.0	-52.39	297.67	3.85	-48.54
CC1CC1C(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017866982	0	33	-1.0	-48.65	294.67	2.77	-45.88
COC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C1	REAL300017866983	0	35	-1.0	-47.08	309.65	1.85	-45.23
CC1CC1C(NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017866984	0	32	-1.0	-46.37	313.69	5.05	-41.32
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1OC	REAL300017866985	0	42	-1.0	-53.88	368.70	5.02	-48.86
CC1CC1C(NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017866986	0	36	-1.0	-56.97	335.93	1.55	-55.42
CCOC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C1	REAL300017866987	0	39	-1.0	-46.04	333.45	4.53	-41.51
CC1CC1C(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300017866988	0	43	-1.0	-50.67	357.65	5.77	-44.90
CC1CC1C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300017866989	0	36	-1.0	-53.22	341.30	5.45	-47.77
CC1=C(Br)C=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017933278	0	31	-1.0	-49.18	313.38	4.64	-44.54
COC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC(F)=C1F	REAL300017933279	0	32	-1.0	-51.71	314.26	3.57	-48.14
O=C([O-])C=CCNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017933280	0	38	-1.0	-53.52	333.02	4.27	-49.25
O=C([O-])C=CCNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017933281	0	44	-1.0	-48.69	335.77	4.51	-44.18
CC1=NC2=C(S(=O)(=O)NCC=CC(=O)[O-])C=CC=C2C=C1	REAL300017933282	0	34	-1.0	-55.81	301.86	4.51	-51.30
O=C([O-])C=CCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017933283	0	34	-1.0	-57.94	313.55	4.72	-53.22
O=C([O-])C=CCNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017933284	0	37	-1.0	-51.85	325.79	1.36	-50.49
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933285	0	40	-1.0	-53.46	362.90	3.96	-49.50
N#CC1=CC(F)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Br	REAL300017933286	0	27	-1.0	-48.63	287.33	3.48	-45.15
CC1=CSC(C2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C2)=N1	REAL300017933287	0	35	-1.0	-51.69	334.87	4.30	-47.39
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1F	REAL300017933288	0	32	-1.0	-52.10	316.52	3.70	-48.40
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933289	0	35	-1.0	-52.51	321.92	3.86	-48.65
CC1=C(Br)C=CC=C1CS(=O)(=O)NCC=CC(=O)[O-]	REAL300017933290	0	32	-1.0	-52.70	304.82	4.70	-48.00
O=C([O-])C=CCNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017933291	0	29	-1.0	-51.85	292.27	4.05	-47.80
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017933292	0	26	-1.0	-47.71	286.66	3.96	-43.75
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933293	0	51	-1.0	-49.80	428.99	7.76	-42.04
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933294	0	41	-1.0	-54.46	358.50	5.17	-49.29
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300017933295	0	26	-1.0	-46.71	297.00	4.54	-42.17
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933296	0	36	-1.0	-50.05	333.79	5.00	-45.05
O=C([O-])C=CCNS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017933297	0	32	-1.0	-52.35	306.57	4.69	-47.66
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933298	0	30	-1.0	-48.95	296.14	3.32	-45.63
COC1=CC2=C(C=C1S(=O)(=O)NCC=CC(=O)[O-])C(=O)NCCC2	REAL300017933299	0	41	-1.0	-57.85	345.26	1.74	-56.11
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCC=CC(=O)[O-])S2)C1	REAL300017933300	0	37	-1.0	-54.37	339.89	3.34	-51.03
CC1=C(S(=O)(=O)NCC=CC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017933301	0	33	-1.0	-51.16	318.87	5.12	-46.04
NC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=C(F)C=C1Br	REAL300017933302	0	30	-1.0	-51.03	297.61	-0.01	-51.04
O=C([O-])C=CCNS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017933303	0	29	-1.0	-51.49	295.49	4.17	-47.32
CCC(C)OC1=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933304	0	39	-1.0	-51.67	338.67	4.49	-47.18
O=C([O-])C=CCNS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017933305	0	33	-1.0	-55.61	314.87	4.64	-50.97
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCC=CC(=O)[O-])=C2)=N1	REAL300017933306	0	38	-1.0	-53.10	341.33	2.83	-50.27
COC(=O)C1=C(C)C=C(S(=O)(=O)NCC=CC(=O)[O-])O1	REAL300017933307	0	32	-1.0	-50.85	306.07	2.20	-48.65
CCC1=NC(S(=O)(=O)NCC=CC(=O)[O-])=CN1CC1CC1	REAL300017933308	0	39	-1.0	-55.95	342.74	4.60	-51.35
CC(=O)N1CC2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C2C1	REAL300017933309	0	37	-1.0	-57.37	332.08	3.29	-54.08
O=C([O-])C=CCNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017933310	0	29	-1.0	-57.85	298.10	2.63	-55.22
CCCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(C)C	REAL300017933311	0	45	-1.0	-49.67	380.09	5.88	-43.79
CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017933312	0	34	-1.0	-52.54	311.77	5.30	-47.24
O=C([O-])C=CCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017933313	0	39	-1.0	-50.19	349.60	5.15	-45.04
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017933314	0	40	-1.0	-53.15	366.11	6.18	-46.97
COC(CS(=O)(=O)NCC=CC(=O)[O-])C1=CC=C(F)C=C1	REAL300017933315	0	36	-1.0	-53.42	330.45	3.94	-49.48
O=C([O-])C=CCNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017933316	0	38	-1.0	-54.05	332.69	4.26	-49.79
COC(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Cl	REAL300017933317	0	34	-1.0	-51.55	330.54	1.73	-49.82
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCC=CC(=O)[O-])C=CC=C12	REAL300017933318	0	38	-1.0	-52.08	339.71	5.69	-46.39
COC(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C	REAL300017933319	0	37	-1.0	-53.54	334.35	2.02	-51.52
CCOC1(CS(=O)(=O)NCC=CC(=O)[O-])CCOCC1	REAL300017933320	0	40	-1.0	-52.83	326.23	1.58	-51.25
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1F	REAL300017933321	0	32	-1.0	-52.24	306.20	3.26	-48.98
CC(=O)N1CCC2=CC(S(=O)(=O)NCC=CC(=O)[O-])=C(Cl)C=C21	REAL300017933322	0	37	-1.0	-58.83	329.19	3.91	-54.92
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933323	0	29	-1.0	-49.01	290.25	1.44	-47.57
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017933324	0	37	-1.0	-51.47	349.26	6.93	-44.54
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933325	0	29	-1.0	-47.93	290.33	4.38	-43.55
CC1=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1Br	REAL300017933326	0	29	-1.0	-51.03	283.30	4.14	-46.89
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933327	0	32	-1.0	-55.64	307.52	4.01	-51.63
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(OC)=C1	REAL300017933328	0	44	-1.0	-56.66	385.45	1.07	-55.59
O=C([O-])C=CCNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017933329	0	34	-1.0	-52.05	306.67	0.57	-51.48
COC1=CC(Br)=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933330	0	30	-1.0	-49.60	299.43	2.75	-46.85
COC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017933331	0	32	-1.0	-52.65	304.16	3.57	-49.08
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933332	0	32	-1.0	-49.12	303.26	4.63	-44.49
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933333	0	39	-1.0	-51.42	339.74	4.33	-47.09
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017933334	0	33	-1.0	-54.63	313.01	3.37	-51.26
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC=CC(=O)[O-])=C1C	REAL300017933335	0	53	-1.0	-50.74	435.96	7.44	-43.30
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1F	REAL300017933336	0	40	-1.0	-52.95	359.70	0.76	-52.19
O=C([O-])C=CCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017933337	0	34	-1.0	-57.14	322.11	5.00	-52.14
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017933338	0	26	-1.0	-49.33	275.64	3.49	-45.84
O=C([O-])C=CCNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017933339	0	33	-1.0	-63.86	313.26	0.69	-63.17
CCN1C(=O)OC2=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C21	REAL300017933340	0	35	-1.0	-55.00	324.56	3.79	-51.21
CC1=C(Br)C=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933341	0	29	-1.0	-49.00	282.08	4.12	-44.88
COC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1Br	REAL300017933342	0	30	-1.0	-49.57	298.56	2.80	-46.77
CS(=O)(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=C(Cl)S1	REAL300017933343	0	29	-1.0	-55.44	306.86	-0.49	-55.93
O=C([O-])C=CCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017933344	0	29	-1.0	-56.25	292.59	1.88	-54.37
CC1(C)CC2=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C2O1	REAL300017933345	0	37	-1.0	-50.67	326.09	4.08	-46.59
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933346	0	32	-1.0	-50.42	325.51	4.27	-46.15
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1F	REAL300017933347	0	34	-1.0	-54.63	327.59	-0.40	-55.03
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])S1	REAL300017933348	0	40	-1.0	-57.56	383.94	0.46	-57.10
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(OC)=C1	REAL300017933349	0	41	-1.0	-56.89	363.95	0.28	-56.61
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])S1	REAL300017933350	0	45	-1.0	-56.37	403.47	3.81	-52.56
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1F	REAL300017933351	0	40	-1.0	-53.42	370.56	1.28	-52.14
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300017933352	0	41	-1.0	-61.58	354.75	3.92	-57.66
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1F	REAL300017933353	0	37	-1.0	-53.68	349.06	0.50	-53.18
CCC(=O)NCC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1OC	REAL300017933354	0	43	-1.0	-56.08	379.55	1.99	-54.09
COC1=CC=C(Br)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933355	0	30	-1.0	-50.97	294.57	2.88	-48.09
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017933356	0	41	-1.0	-53.04	362.39	3.27	-49.77
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933357	0	35	-1.0	-56.63	330.80	1.25	-55.38
O=C([O-])C=CCNS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017933358	0	28	-1.0	-50.03	296.91	2.74	-47.29
CC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1Br	REAL300017933359	0	31	-1.0	-51.60	307.70	3.94	-47.66
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933360	0	31	-1.0	-55.88	291.48	3.29	-52.59
N#CC1=CC(Br)=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933361	0	27	-1.0	-50.13	290.75	3.83	-46.30
CCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Br	REAL300017933362	0	33	-1.0	-50.90	320.40	3.72	-47.18
O=C([O-])C=CCNS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017933363	0	40	-1.0	-57.72	365.88	2.26	-55.46
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933364	0	39	-1.0	-50.62	359.57	4.45	-46.17
O=C([O-])C=CCNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017933365	0	26	-1.0	-46.68	280.84	4.29	-42.39
CC(C)CCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933366	0	42	-1.0	-49.97	360.56	5.16	-44.81
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017933367	0	40	-1.0	-49.93	343.28	5.05	-44.88
CC(C)COC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933368	0	39	-1.0	-49.98	341.60	4.55	-45.43
COC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Cl	REAL300017933369	0	30	-1.0	-51.28	294.15	2.69	-48.59
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017933370	0	30	-1.0	-51.48	303.91	2.96	-48.52
CC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1OC(C)C	REAL300017933371	0	39	-1.0	-50.22	337.98	4.42	-45.80
COCCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933372	0	37	-1.0	-52.69	333.62	2.32	-50.37
COCCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C	REAL300017933373	0	40	-1.0	-52.54	353.68	3.06	-49.48
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933374	0	37	-1.0	-58.30	339.39	2.49	-55.81
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017933375	0	41	-1.0	-54.05	354.74	2.33	-51.72
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933376	0	36	-1.0	-59.04	320.45	2.68	-56.36
CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(Br)=C1	REAL300017933377	0	29	-1.0	-50.42	286.51	4.23	-46.19
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933378	0	32	-1.0	-56.51	311.00	0.41	-56.10
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933379	0	32	-1.0	-52.93	309.57	4.85	-48.08
N#CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Cl	REAL300017933380	0	27	-1.0	-51.42	284.85	3.63	-47.79
CC1=CC(Br)=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933381	0	29	-1.0	-48.10	284.62	4.34	-43.76
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC=CC(=O)[O-])=C1C	REAL300017933382	0	34	-1.0	-56.39	299.81	5.57	-50.82
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933383	0	32	-1.0	-52.41	305.02	3.54	-48.87
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933384	0	35	-1.0	-57.90	324.07	1.26	-56.64
N#CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(C(F)(F)F)=C1	REAL300017933385	0	30	-1.0	-52.51	294.24	4.81	-47.70
N#CC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1Cl	REAL300017933386	0	27	-1.0	-51.29	284.87	3.63	-47.66
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933387	0	42	-1.0	-54.69	360.85	4.60	-50.09
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017933388	0	38	-1.0	-54.94	357.64	0.68	-54.26
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933389	0	34	-1.0	-55.39	325.24	-1.00	-56.39
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])S1	REAL300017933390	0	36	-1.0	-57.09	344.44	1.77	-55.32
O=C([O-])C=CCNS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017933391	1	28	-1.0	-57.24	270.46	4.20	-53.04
O=C([O-])C=CCNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017933392	0	29	-1.0	-52.28	305.86	4.54	-47.74
CCOC(=O)C1=C(C)C(S(=O)(=O)NCC=CC(=O)[O-])=C(C)N1	REAL300017933393	0	39	-1.0	-53.01	344.64	3.50	-49.51
O=C([O-])C=CCNS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017933394	0	26	-1.0	-51.73	265.48	3.65	-48.08
CC1=NC(C2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])S2)=CS1	REAL300017933395	0	32	-1.0	-51.30	328.08	3.39	-47.91
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017933396	0	46	-1.0	-49.99	383.20	6.45	-43.54
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300017933397	0	36	-1.0	-56.35	345.89	2.40	-53.95
COC(=O)C1=CC=C(C)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933398	0	35	-1.0	-53.09	318.92	4.28	-48.81
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017933399	0	28	-1.0	-53.88	282.88	4.84	-49.04
COC1=CC(F)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1OC	REAL300017933400	0	34	-1.0	-50.90	305.58	1.78	-49.12
COC1=CC(C)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1OC	REAL300017933401	0	37	-1.0	-51.36	322.01	2.93	-48.43
O=C([O-])C=CCNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017933402	1	28	-1.0	-51.14	297.15	5.56	-45.58
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933403	0	34	-1.0	-55.21	302.20	4.61	-50.60
O=C([O-])C=CCNS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017933404	0	29	-1.0	-54.02	288.15	3.73	-50.29
CCOC(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(Br)=C1	REAL300017933405	0	35	-1.0	-51.28	341.66	5.16	-46.12
CCOC(=O)C1CCCN1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933406	0	37	-1.0	-54.10	324.03	3.22	-50.88
CNC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CN1C	REAL300017933407	0	34	-1.0	-54.82	312.52	0.46	-54.36
O=C([O-])C=CCNS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2	REAL300017933408	0	32	-1.0	-51.56	315.75	0.79	-50.77
O=C([O-])C=CCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300017933409	0	34	-1.0	-53.24	310.08	2.07	-51.17
COC(=O)C1=CC=C(CS(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933410	0	35	-1.0	-56.13	327.20	4.21	-51.92
COC(=O)C1CCN(S(=O)(=O)NCC=CC(=O)[O-])CC1	REAL300017933411	0	37	-1.0	-54.24	319.48	2.54	-51.70
O=C([O-])C=CCNS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017933412	0	37	-1.0	-53.29	324.14	2.96	-50.33
COC(=O)C1=CC=CC(CS(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933413	0	35	-1.0	-57.79	327.21	4.20	-53.59
CCOC(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])O1	REAL300017933414	0	32	-1.0	-50.83	310.03	2.54	-48.29
COC(=O)CCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933415	0	39	-1.0	-53.50	355.45	3.90	-49.60
O=C([O-])C=CCNS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017933416	0	29	-1.0	-52.14	286.34	4.97	-47.17
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017933417	0	28	-1.0	-53.63	287.45	4.93	-48.70
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933418	0	31	-1.0	-57.48	282.30	5.18	-52.30
O=C([O-])C=CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017933419	0	28	-1.0	-49.44	293.32	4.24	-45.20
O=C([O-])C=CCNS(=O)(=O)C1=C(Br)C=CS1	REAL300017933420	0	23	-1.0	-49.15	256.78	2.24	-46.91
CC1=C(S(=O)(=O)NCC=CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300017933421	0	34	-1.0	-50.90	294.57	4.01	-46.89
O=C([O-])C=CCNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300017933422	0	34	-1.0	-53.39	306.68	1.77	-51.62
O=C([O-])C=CCNS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017933423	0	25	-1.0	-47.68	266.86	1.61	-46.07
O=C([O-])C=CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017933424	0	28	-1.0	-49.69	275.11	3.25	-46.44
O=C([O-])C=CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017933425	0	28	-1.0	-50.86	293.03	3.96	-46.90
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933426	0	35	-1.0	-54.75	328.49	1.33	-53.42
CCN1C=C(S(=O)(=O)NCC=CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300017933427	0	31	-1.0	-58.80	298.64	3.72	-55.08
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017933428	0	28	-1.0	-58.91	281.76	4.17	-54.74
O=C([O-])C=CCNS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017933429	0	28	-1.0	-50.09	283.25	3.57	-46.52
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017933430	0	33	-1.0	-52.11	319.55	3.52	-48.59
O=C([O-])C=CCNS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017933431	0	28	-1.0	-53.34	287.44	4.93	-48.41
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017933432	0	40	-1.0	-51.57	359.89	6.11	-45.46
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(F)=C1	REAL300017933433	0	34	-1.0	-58.66	320.42	-0.71	-59.37
CCOC(=O)N1CCN(S(=O)(=O)NCC=CC(=O)[O-])CC1	REAL300017933434	0	39	-1.0	-52.87	334.23	1.57	-51.30
COC1=C(S(=O)(=O)NCC=CC(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017933435	0	35	-1.0	-52.71	327.70	4.06	-48.65
O=C([O-])C=CCNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017933436	0	36	-1.0	-53.70	334.60	4.38	-49.32
CC(C)CCN(CCC(C)C)S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933437	0	48	-1.0	-48.70	382.81	5.65	-43.05
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933438	0	32	-1.0	-52.43	319.82	4.23	-48.20
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933439	0	34	-1.0	-57.79	325.71	-0.55	-58.34
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CS(=O)(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1F	REAL300017933441	0	32	-1.0	-56.28	313.73	0.37	-55.91
COC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1Br	REAL300017933442	0	32	-1.0	-51.54	319.69	3.96	-47.58
CCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C2=CC=CC=C12	REAL300017933443	0	39	-1.0	-51.90	339.81	5.46	-46.44
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017933444	0	31	-1.0	-61.35	296.91	3.01	-58.34
O=C([O-])C=CCNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017933445	0	33	-1.0	-53.47	309.19	3.95	-49.52
CS(=O)(=O)C1=CC=C(Br)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933446	0	32	-1.0	-57.64	325.81	1.09	-56.55
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017933447	0	28	-1.0	-51.74	293.04	3.95	-47.79
CCOCCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933448	0	40	-1.0	-52.71	355.47	3.29	-49.42
CCCCCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933449	0	42	-1.0	-50.01	364.49	5.41	-44.60
O=C([O-])C=CCNS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017933450	0	28	-1.0	-55.79	278.39	4.72	-51.07
COC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1F	REAL300017933451	0	32	-1.0	-53.23	307.97	3.50	-49.73
COC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=C(Cl)C=C1Cl	REAL300017933452	0	32	-1.0	-48.60	317.53	3.92	-44.68
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933453	0	36	-1.0	-55.28	323.81	3.29	-51.99
COC(=O)CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])S1	REAL300017933454	0	32	-1.0	-54.21	317.99	3.44	-50.77
COC(=O)C1=CSC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933455	0	29	-1.0	-52.96	296.68	2.50	-50.46
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933456	0	38	-1.0	-53.05	334.96	4.91	-48.14
COC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1Cl	REAL300017933457	0	32	-1.0	-51.86	315.95	3.87	-47.99
COC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1C	REAL300017933458	0	35	-1.0	-51.31	319.46	4.01	-47.30
COC(=O)C1=CC=C(F)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933459	0	32	-1.0	-53.14	301.63	3.23	-49.91
O=C([O-])C=CCNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017933460	0	32	-1.0	-53.97	297.01	4.64	-49.33
O=C([O-])C=CCNS(=O)(=O)C1=CN=CC(Br)=C1	REAL300017933461	0	25	-1.0	-48.79	264.95	1.63	-47.16
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017933462	0	30	-1.0	-48.92	305.01	4.29	-44.63
O=C([O-])C=CCNS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017933463	0	31	-1.0	-52.69	299.31	-1.71	-54.40
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C2S1	REAL300017933464	0	40	-1.0	-51.12	361.63	4.78	-46.34
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933465	0	31	-1.0	-53.45	305.59	2.96	-50.49
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933466	0	33	-1.0	-50.75	308.61	3.83	-46.92
CC(C)N1N=CC2=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C21	REAL300017933467	0	38	-1.0	-52.53	339.35	4.36	-48.17
CCCCCCN1C=C(S(=O)(=O)NCC=CC(=O)[O-])C(=O)NC1=O	REAL300017933468	0	44	-1.0	-56.50	379.62	3.43	-53.07
CC1=CN(C2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C2F)N=C1	REAL300017933469	0	36	-1.0	-55.76	333.25	4.86	-50.90
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCC=CC(=O)[O-])S1	REAL300017933470	0	33	-1.0	-52.00	322.16	1.76	-50.24
CCS(=O)(=O)NCCS(=O)(=O)NCC=CC(=O)[O-]	REAL300017933471	0	33	-1.0	-60.40	312.47	-2.42	-62.82
CC1=CC(Cl)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017933472	0	31	-1.0	-49.87	294.57	4.07	-45.80
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(Br)O1	REAL300017933473	0	23	-1.0	-48.99	253.01	1.55	-47.44
CC1=C(S(=O)(=O)NCC=CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300017933474	0	32	-1.0	-50.16	302.40	4.09	-46.07
O=C([O-])C=CCNS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017933475	0	23	-1.0	-46.23	265.76	2.65	-43.58
O=C([O-])C=CCNS(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017933476	0	29	-1.0	-49.56	293.96	4.32	-45.24
O=C([O-])C=CCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017933477	0	29	-1.0	-49.30	304.27	4.76	-44.54
CC1=C(S(=O)(=O)NCC=CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017933478	0	32	-1.0	-50.17	312.47	5.57	-44.60
O=C([O-])C=CCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300017933479	0	29	-1.0	-50.11	291.39	4.23	-45.88
O=C([O-])C=CCNS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017933480	0	32	-1.0	-51.86	295.24	5.63	-46.23
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017933481	0	32	-1.0	-53.99	306.32	5.69	-48.30
COC1=CC(Br)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Cl	REAL300017933482	0	30	-1.0	-48.98	310.59	3.43	-45.55
CN1C=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017933483	0	37	-1.0	-53.86	353.33	1.77	-52.09
CCOC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CN1C	REAL300017933484	0	36	-1.0	-55.98	331.67	3.85	-52.13
CCOC(=O)C1CC2=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C2O1	REAL300017933485	0	40	-1.0	-54.99	362.12	5.07	-49.92
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1F	REAL300017933486	0	32	-1.0	-55.60	313.74	0.37	-55.23
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933487	0	35	-1.0	-55.91	337.76	2.76	-53.15
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933488	0	39	-1.0	-56.81	356.05	4.40	-52.41
CC1=C(S(=O)(=O)NCC=CC(=O)[O-])SC2=CC=CC(F)=C12	REAL300017933489	0	32	-1.0	-50.87	304.24	4.71	-46.16
O=C([O-])C=CCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017933490	0	37	-1.0	-59.30	348.64	-0.11	-59.41
N#CC1=CC(F)=C(S(=O)(=O)NCC=CC(=O)[O-])C(F)=C1	REAL300017933491	1	27	-1.0	-50.84	277.93	3.50	-47.34
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933492	0	31	-1.0	-50.46	304.01	4.78	-45.68
CSC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Cl	REAL300017933493	0	30	-1.0	-50.75	303.84	4.30	-46.45
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933494	0	29	-1.0	-60.54	278.78	2.98	-57.56
O=C([O-])C=CCNS(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017933495	0	38	-1.0	-54.75	349.71	5.32	-49.43
CN(C)C1=CC=C(Br)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933496	0	34	-1.0	-50.76	316.18	3.97	-46.79
CC1=NN2C=C(S(=O)(=O)NCC=CC(=O)[O-])C=NC2=C1Cl	REAL300017933497	0	31	-1.0	-52.96	308.08	2.68	-50.28
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933498	0	32	-1.0	-52.39	309.38	4.84	-47.55
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933499	0	38	-1.0	-51.35	322.46	3.30	-48.05
CCC1=NOC2=NC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C12	REAL300017933500	0	33	-1.0	-53.49	309.86	0.54	-52.95
CC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017933501	0	31	-1.0	-52.66	301.69	4.14	-48.52
O=C([O-])C=CCNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017933502	0	32	-1.0	-50.06	315.83	5.71	-44.35
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933503	0	32	-1.0	-52.56	299.06	4.41	-48.15
O=C([O-])C=CCNS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017933504	0	29	-1.0	-63.16	285.86	2.68	-60.48
O=C([O-])C=CCNS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017933505	0	29	-1.0	-51.05	305.84	4.61	-46.44
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933506	1	41	-1.0	-55.16	368.47	0.09	-55.07
CC(=O)NC1=CC(C)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Br	REAL300017933507	0	36	-1.0	-52.78	338.62	3.37	-49.41
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933508	0	34	-1.0	-61.93	320.79	0.95	-60.98
O=C([O-])C=CCNS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017933509	0	25	-1.0	-47.02	262.60	1.52	-45.50
COC(=O)C1CCCCC1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933510	0	38	-1.0	-54.88	314.50	4.24	-50.64
COC(=O)C1(C2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C2)CC1	REAL300017933511	0	39	-1.0	-53.07	346.96	5.46	-47.61
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NCC=CC(=O)[O-]	REAL300017933512	0	30	-1.0	-55.99	307.42	4.29	-51.70
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017933513	0	32	-1.0	-50.28	317.23	0.91	-49.37
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933514	0	30	-1.0	-49.07	296.14	3.32	-45.75
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017933515	0	35	-1.0	-56.80	315.22	6.59	-50.21
CCC1=C(S(=O)(=O)NCC=CC(=O)[O-])C=C(C(=O)OC)O1	REAL300017933516	0	35	-1.0	-50.68	327.86	3.16	-47.52
O=C([O-])C=CCNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017933517	0	43	-1.0	-58.03	363.81	4.73	-53.30
COC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(C)=C1F	REAL300017933518	0	33	-1.0	-51.42	297.83	3.07	-48.35
O=C([O-])C=CCNS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017933519	0	46	-1.0	-57.10	372.74	4.57	-52.53
O=C([O-])C=CCNS(=O)(=O)C1CCCN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017933520	0	43	-1.0	-58.65	378.67	5.14	-53.51
O=C([O-])C=CCNS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017933521	0	40	-1.0	-55.34	342.02	3.08	-52.26
O=C([O-])C=CCNS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017933522	0	37	-1.0	-57.49	346.93	3.56	-53.93
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933523	0	34	-1.0	-52.58	320.86	5.00	-47.58
O=C([O-])C=CCNS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300017933524	0	26	-1.0	-46.35	286.41	3.95	-42.40
O=C([O-])C=CCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017933525	0	35	-1.0	-50.96	310.68	4.25	-46.71
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300017933526	0	44	-1.0	-52.35	382.93	5.41	-46.94
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300017933527	0	41	-1.0	-53.15	363.98	4.24	-48.91
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933528	0	37	-1.0	-52.90	327.99	2.99	-49.91
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933529	0	40	-1.0	-51.83	355.55	3.95	-47.88
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017933530	0	40	-1.0	-50.62	355.52	6.20	-44.42
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017933531	0	26	-1.0	-47.13	283.01	3.66	-43.47
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C2O1	REAL300017933532	0	41	-1.0	-52.22	372.34	5.50	-46.72
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933533	0	38	-1.0	-53.20	339.94	5.31	-47.89
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017933534	0	26	-1.0	-48.90	272.33	3.43	-45.47
CC1=CC=C(C)C(S(=O)(=O)NCC=CC(=O)[O-])=C1[N+](=O)[O-]	REAL300017933535	0	34	-1.0	-57.54	304.80	5.80	-51.74
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017933536	0	32	-1.0	-51.59	309.65	4.62	-46.97
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC=CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017933537	0	36	-1.0	-48.47	334.28	5.81	-42.66
COC(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933538	0	34	-1.0	-54.32	315.80	1.05	-53.27
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017933540	0	29	-1.0	-48.15	304.10	4.34	-43.81
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017933541	0	29	-1.0	-48.86	285.63	3.58	-45.28
CC1=CC(Br)=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933542	0	29	-1.0	-49.04	291.35	4.11	-44.93
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933543	0	37	-1.0	-54.39	314.58	0.83	-53.56
CC(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Br	REAL300017933544	0	33	-1.0	-53.36	322.64	2.49	-50.87
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933545	0	37	-1.0	-60.81	328.70	2.82	-57.99
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017933546	0	38	-1.0	-54.54	318.06	1.58	-52.96
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300017933547	0	32	-1.0	-52.25	329.09	0.95	-51.30
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300017933548	0	26	-1.0	-48.24	284.87	3.92	-44.32
COC1=C(F)C=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017933549	0	32	-1.0	-51.30	312.11	3.66	-47.64
COC(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017933550	0	36	-1.0	-52.13	339.33	2.18	-49.95
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017933551	0	37	-1.0	-61.54	347.54	4.65	-56.89
COC(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(OC)=C1	REAL300017933552	0	36	-1.0	-52.07	323.84	3.31	-48.76
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933553	0	29	-1.0	-47.83	290.33	4.39	-43.44
CC1=CC(C)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017933554	0	34	-1.0	-52.10	307.34	4.91	-47.19
O=C([O-])C=CCNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017933555	0	34	-1.0	-58.32	312.28	4.09	-54.23
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933556	0	42	-1.0	-60.12	385.08	1.50	-58.62
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C21	REAL300017933557	0	36	-1.0	-55.00	328.88	3.74	-51.26
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017933558	0	31	-1.0	-56.32	296.90	3.01	-53.31
COC1=CC(F)=C(S(=O)(=O)NCC=CC(=O)[O-])C(F)=C1	REAL300017933559	0	30	-1.0	-50.98	286.62	2.39	-48.59
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933560	0	34	-1.0	-55.80	325.26	-1.01	-56.81
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933561	0	35	-1.0	-55.98	320.37	4.41	-51.57
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017933562	0	30	-1.0	-51.61	278.95	2.92	-48.69
CCCOC(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933563	0	38	-1.0	-51.25	346.74	5.21	-46.04
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300017933564	0	44	-1.0	-55.00	385.75	2.81	-52.19
O=C([O-])C=CCNS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300017933565	0	32	-1.0	-51.11	309.54	2.74	-48.37
CCC(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933566	0	36	-1.0	-56.34	325.27	2.53	-53.81
O=C([O-])C=CCNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017933567	0	32	-1.0	-53.97	311.45	4.56	-49.41
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017933568	0	25	-1.0	-49.59	262.37	1.44	-48.15
O=C([O-])C=CCNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017933569	0	38	-1.0	-52.80	342.36	4.81	-47.99
O=C([O-])C=CCNS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017933570	0	26	-1.0	-49.14	268.19	3.21	-45.93
CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(F)(F)F	REAL300017933571	0	32	-1.0	-49.98	303.07	4.35	-45.63
O=C([O-])C=CCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017933572	0	32	-1.0	-51.26	321.46	3.56	-47.70
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C12	REAL300017933573	0	34	-1.0	-53.17	314.94	2.55	-50.62
O=C([O-])C=CCNS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017933574	0	29	-1.0	-52.56	299.00	4.20	-48.36
O=C([O-])C=CCNS(=O)(=O)CC1CCCN1C(=O)OCC1=CC=CC=C1	REAL300017933575	0	47	-1.0	-55.16	404.51	5.79	-49.37
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017933576	0	35	-1.0	-51.50	330.18	5.67	-45.83
O=C([O-])C=CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017933577	0	28	-1.0	-50.18	293.32	4.23	-45.95
COC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=C(C(=O)OC)S1	REAL300017933578	0	35	-1.0	-53.91	343.96	4.05	-49.86
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933579	0	32	-1.0	-53.16	299.24	4.40	-48.76
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017933580	0	38	-1.0	-62.93	345.23	1.33	-61.60
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC=CC(=O)[O-])=CN=C2S1	REAL300017933581	0	40	-1.0	-51.75	373.04	4.45	-47.30
O=C([O-])C=CCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017933582	0	33	-1.0	-53.24	318.38	3.34	-49.90
O=C([O-])C=CCNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017933583	0	26	-1.0	-48.43	271.59	3.51	-44.92
COC1=CC(OC)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Br	REAL300017933584	0	34	-1.0	-51.59	319.09	2.65	-48.94
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCC=CC(=O)[O-])=CN=C21	REAL300017933585	0	34	-1.0	-52.65	318.31	0.24	-52.41
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300017933586	0	39	-1.0	-53.89	370.93	4.86	-49.03
CCOC(=O)C1=CC=C(Br)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933619	0	35	-1.0	-52.07	341.69	5.16	-46.91
COC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=C(Br)C=C1F	REAL300017933620	0	32	-1.0	-49.80	324.35	4.26	-45.54
CCOC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1F	REAL300017933621	0	35	-1.0	-52.41	329.84	4.43	-47.98
O=C([O-])C=CCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017933622	0	34	-1.0	-55.10	310.46	3.48	-51.62
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933623	0	45	-1.0	-57.47	351.16	5.90	-51.57
O=C([O-])C=CCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017933624	0	29	-1.0	-52.18	299.30	4.43	-47.75
N#CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(Cl)=C1	REAL300017933625	0	27	-1.0	-50.22	271.04	3.27	-46.95
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Cl	REAL300017933626	0	33	-1.0	-53.98	317.01	2.11	-51.87
COC1=CC(Cl)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Cl	REAL300017933627	0	30	-1.0	-48.73	295.78	2.74	-45.99
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933628	0	38	-1.0	-54.69	336.56	1.83	-52.86
COC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CS1	REAL300017933629	0	29	-1.0	-53.92	295.91	2.49	-51.43
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933630	0	35	-1.0	-53.08	331.36	5.34	-47.74
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017933631	0	37	-1.0	-51.53	354.03	6.18	-45.35
O=C([O-])C=CCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017933632	0	32	-1.0	-53.61	315.05	3.49	-50.12
O=C([O-])C=CCNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017933633	0	32	-1.0	-50.97	331.78	4.02	-46.95
O=C([O-])C=CCNS(=O)(=O)CC1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300017933634	0	50	-1.0	-57.27	420.93	6.59	-50.68
COC(=O)C1=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1C	REAL300017933635	0	35	-1.0	-53.26	313.14	4.14	-49.12
O=C([O-])C=CCNS(=O)(=O)CC1CCCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017933636	0	50	-1.0	-61.68	421.35	6.57	-55.11
O=C([O-])C=CCNS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017933637	0	28	-1.0	-49.59	298.14	4.12	-45.47
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933638	0	30	-1.0	-48.12	304.35	3.45	-44.67
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933639	0	38	-1.0	-51.78	327.80	3.43	-48.35
CCOC(=O)N1CCC(S(=O)(=O)NCC=CC(=O)[O-])CC1	REAL300017933640	0	40	-1.0	-56.57	342.85	2.73	-53.84
CC1=NC(C2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C2)=CO1	REAL300017933641	0	35	-1.0	-54.96	325.03	1.90	-53.06
O=C([O-])C=CCNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017933642	0	25	-1.0	-48.46	275.70	1.91	-46.55
COC1=CC=C(Cl)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933643	0	30	-1.0	-50.84	279.77	2.18	-48.66
COC(=O)C1=C(S(=O)(=O)NCC=CC(=O)[O-])C2=CC=CC=C2S1	REAL300017933644	0	35	-1.0	-52.21	334.73	5.54	-46.67
O=C([O-])C=CCNS(=O)(=O)C1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300017933645	0	47	-1.0	-56.94	402.76	5.77	-51.17
O=C([O-])C=CCNS(=O)(=O)C1CCCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017933646	0	47	-1.0	-57.41	404.01	5.81	-51.60
O=C([O-])C=CCNS(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2	REAL300017933647	0	34	-1.0	-53.56	324.89	2.75	-50.81
COC(=O)CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933648	0	35	-1.0	-54.92	325.58	4.27	-50.65
CC1=CC=C(N2C=C(S(=O)(=O)NCC=CC(=O)[O-])C=N2)C=C1	REAL300017933649	0	36	-1.0	-53.35	330.60	4.61	-48.74
O=C([O-])C=CCNS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017933650	0	44	-1.0	-58.89	388.62	4.95	-53.94
O=C([O-])C=CCNS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017933651	0	44	-1.0	-57.64	381.48	4.59	-53.05
O=C([O-])C=CCNS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017933652	0	41	-1.0	-55.78	372.20	4.11	-51.67
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC=CC(=O)[O-])S1	REAL300017933653	0	28	-1.0	-51.06	287.93	3.21	-47.85
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C21	REAL300017933654	0	37	-1.0	-61.44	329.14	3.95	-57.49
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017933655	0	26	-1.0	-51.01	279.93	4.02	-46.99
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017933656	0	26	-1.0	-48.96	284.77	3.91	-45.05
COC(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1F	REAL300017933657	0	32	-1.0	-53.77	307.95	3.51	-50.26
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933658	0	30	-1.0	-50.73	285.88	3.17	-47.56
N#CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Br	REAL300017933659	0	27	-1.0	-51.26	289.13	3.72	-47.54
COC1=CC(C)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Cl	REAL300017933660	0	33	-1.0	-49.83	309.70	3.46	-46.37
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCC=CC(=O)[O-])S1	REAL300017933661	0	32	-1.0	-48.60	322.58	3.47	-45.13
CC(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1F	REAL300017933662	0	33	-1.0	-53.71	309.53	1.85	-51.86
COC1=CC(Cl)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1OC	REAL300017933663	0	34	-1.0	-50.26	308.97	2.09	-48.17
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017933664	0	30	-1.0	-51.98	294.11	2.47	-49.51
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017933665	0	29	-1.0	-49.46	292.96	3.89	-45.57
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C	REAL300017933666	0	37	-1.0	-55.45	340.50	-0.21	-55.66
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C2S1	REAL300017933667	0	38	-1.0	-52.24	363.26	5.87	-46.37
COC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(Br)=C1	REAL300017933668	0	30	-1.0	-50.72	294.56	2.87	-47.85
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=N1	REAL300017933669	0	31	-1.0	-59.34	305.40	-1.56	-60.90
O=C([O-])C=CCNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300017933670	0	32	-1.0	-50.03	315.61	3.97	-46.06
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933671	0	32	-1.0	-53.35	290.75	3.93	-49.42
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017933672	0	26	-1.0	-47.98	267.03	3.39	-44.59
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017933673	0	26	-1.0	-48.71	281.83	4.10	-44.61
COC1=CC2=C(C=C1S(=O)(=O)NCC=CC(=O)[O-])OCC(=O)N2	REAL300017933674	0	36	-1.0	-53.71	319.82	-0.12	-53.83
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br	REAL300017933675	0	29	-1.0	-48.96	303.85	4.57	-44.39
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017933676	0	26	-1.0	-51.07	267.50	3.19	-47.88
COC(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1OC	REAL300017933677	0	36	-1.0	-53.36	330.72	3.54	-49.82
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933678	0	30	-1.0	-54.48	299.89	0.12	-54.36
CC1(C)CC2=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C2O1	REAL300017933679	0	37	-1.0	-52.65	319.87	4.09	-48.56
N#CC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1C(F)(F)F	REAL300017933680	0	30	-1.0	-52.05	305.30	4.01	-48.04
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933721	0	27	-1.0	-54.45	269.60	2.99	-51.46
COC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(=O)N(C)C	REAL300017933722	0	40	-1.0	-55.99	351.27	2.41	-53.58
CC1CC2=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC(Cl)=C2O1	REAL300017933723	0	34	-1.0	-51.03	322.41	3.94	-47.09
CC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017933724	0	31	-1.0	-50.43	292.86	4.00	-46.43
CCOC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017933725	0	40	-1.0	-50.15	363.54	5.43	-44.72
CC1=CC=C(Br)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933726	0	29	-1.0	-50.38	286.52	4.24	-46.14
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC=CC(=O)[O-])C=N1	REAL300017933727	0	37	-1.0	-56.22	336.37	3.58	-52.64
COC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=C(F)C=C1Br	REAL300017933728	0	32	-1.0	-49.07	317.89	3.72	-45.35
CC(=O)N(C)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933729	0	36	-1.0	-57.27	316.02	3.04	-54.23
CC(=O)NC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1C	REAL300017933730	0	36	-1.0	-58.99	323.51	2.62	-56.37
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2	REAL300017933731	0	32	-1.0	-55.22	295.27	0.38	-54.84
CN1CCCC2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C21	REAL300017933732	0	38	-1.0	-51.43	322.85	3.38	-48.05
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017933733	0	28	-1.0	-50.37	283.34	2.06	-48.31
COC1=CC=CC(OC)=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933734	0	34	-1.0	-55.06	302.62	3.34	-51.72
O=C([O-])C=CCNS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017933735	0	32	-1.0	-54.60	300.02	1.88	-52.72
CC(C)(C)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])S1	REAL300017933736	0	35	-1.0	-49.19	321.62	4.47	-44.72
COC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC(OC)=C1	REAL300017933737	0	34	-1.0	-52.18	307.61	1.43	-50.75
N#CC1=CC=C(Cl)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933738	0	27	-1.0	-51.05	271.08	3.27	-47.78
CC1=C(S(=O)(=O)NCC=CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300017933739	0	34	-1.0	-57.33	297.04	4.35	-52.98
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933740	0	34	-1.0	-48.43	299.55	4.84	-43.59
COC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=C(C)O1	REAL300017933741	0	32	-1.0	-51.41	307.42	2.37	-49.04
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017933742	0	32	-1.0	-53.95	280.17	4.09	-49.86
COC(=O)C1=NSC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933743	0	28	-1.0	-54.80	281.03	1.68	-53.12
COC(=O)C1=C(S(=O)(=O)NCC=CC(=O)[O-])SC=N1	REAL300017933744	1	28	-1.0	-55.88	281.60	1.06	-54.82
O=C([O-])C=CCNS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017933745	0	34	-1.0	-59.54	308.22	1.28	-58.26
O=C([O-])C=CCNS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017933746	0	37	-1.0	-50.46	312.67	0.90	-49.56
COC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CN1C	REAL300017933747	0	33	-1.0	-56.26	309.81	2.92	-53.34
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933748	0	37	-1.0	-52.72	331.25	4.67	-48.05
O=C([O-])C=CCNS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017933749	0	29	-1.0	-52.73	294.43	4.08	-48.65
O=C([O-])C=CCNS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017933750	0	29	-1.0	-53.75	294.98	4.10	-49.65
COC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CN=C1Cl	REAL300017933751	0	29	-1.0	-50.22	289.46	0.79	-49.43
COC(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=N1	REAL300017933752	0	31	-1.0	-51.84	299.36	1.65	-50.19
O=C([O-])C=CCNS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017933753	0	25	-1.0	-50.05	266.32	2.20	-47.85
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933754	0	32	-1.0	-50.88	320.14	3.99	-46.89
O=C([O-])C=CCNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017933755	0	29	-1.0	-51.16	281.98	0.38	-50.78
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933756	0	35	-1.0	-61.76	333.66	1.03	-60.73
CC(=O)NC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1F	REAL300017933757	0	33	-1.0	-55.30	310.66	1.83	-53.47
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C21	REAL300017933758	0	40	-1.0	-60.16	340.25	4.41	-55.75
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933759	0	32	-1.0	-48.31	302.07	4.72	-43.59
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933760	0	43	-1.0	-56.01	385.42	2.55	-53.46
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933761	0	36	-1.0	-58.67	329.84	0.17	-58.50
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(Br)=C1	REAL300017933762	0	32	-1.0	-57.78	325.82	1.09	-56.69
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C2CC1	REAL300017933763	0	43	-1.0	-55.57	360.42	4.75	-50.82
COC(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(F)(F)F	REAL300017933764	0	35	-1.0	-53.80	333.58	4.29	-49.51
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933765	0	35	-1.0	-49.55	310.52	4.80	-44.75
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017933766	0	29	-1.0	-50.04	290.24	4.94	-45.10
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933767	0	40	-1.0	-59.05	360.18	1.02	-58.03
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933768	0	39	-1.0	-54.95	345.67	4.22	-50.73
CCOC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1C	REAL300017933769	0	38	-1.0	-51.71	341.33	4.94	-46.77
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933770	0	38	-1.0	-54.90	347.45	5.19	-49.71
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1OC	REAL300017933771	0	37	-1.0	-54.89	344.10	2.61	-52.28
CCOC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=C(F)C=C1C	REAL300017933772	0	38	-1.0	-49.82	339.51	4.70	-45.12
O=C([O-])C=CCNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017933773	0	32	-1.0	-52.81	310.62	4.84	-47.97
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933774	0	35	-1.0	-52.78	323.49	4.16	-48.62
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017933775	0	36	-1.0	-51.54	322.84	6.24	-45.30
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933776	0	40	-1.0	-54.77	367.77	0.62	-54.15
O=C([O-])C=CCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300017933777	0	29	-1.0	-52.90	289.17	4.11	-48.79
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CN1C	REAL300017933778	0	38	-1.0	-54.81	350.65	4.02	-50.79
O=C([O-])C=CCNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017933779	0	30	-1.0	-51.91	296.39	3.70	-48.21
CC1=NC(S(=O)(=O)NCC=CC(=O)[O-])=C(Br)N1C	REAL300017933780	0	29	-1.0	-53.53	289.02	2.40	-51.13
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933781	0	39	-1.0	-59.73	340.78	3.67	-56.06
COC(=O)C1=CC(Br)=C(S(=O)(=O)NCC=CC(=O)[O-])S1	REAL300017933782	1	29	-1.0	-48.27	312.50	3.00	-45.27
COC(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(F)=C1	REAL300017933783	0	32	-1.0	-51.81	301.61	3.25	-48.56
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933784	0	37	-1.0	-53.69	340.16	2.19	-51.50
CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(=O)OC(C)C	REAL300017933785	0	41	-1.0	-51.22	361.57	5.65	-45.57
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933786	0	38	-1.0	-56.89	352.29	2.04	-54.85
COCCOC1=C(Cl)C=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1Cl	REAL300017933787	0	37	-1.0	-50.52	369.59	3.56	-46.96
COC(=O)C1(CS(=O)(=O)NCC=CC(=O)[O-])CCCC1	REAL300017933788	0	38	-1.0	-56.19	323.09	3.89	-52.30
COCC1=CC(Cl)=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933789	0	33	-1.0	-49.86	320.43	3.06	-46.80
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933790	0	35	-1.0	-52.17	336.97	5.30	-46.87
CC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1C(F)(F)F	REAL300017933791	0	32	-1.0	-48.95	303.07	4.34	-44.61
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017933792	0	37	-1.0	-49.96	354.04	6.19	-43.77
COC(=O)CC1=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933793	0	35	-1.0	-55.05	325.58	4.26	-50.79
O=C([O-])C=CCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300017933794	0	32	-1.0	-52.12	310.08	4.77	-47.35
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017933795	0	26	-1.0	-48.33	281.20	3.02	-45.31
CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1I	REAL300017933796	0	29	-1.0	-49.37	293.98	4.47	-44.90
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933797	0	39	-1.0	-53.59	358.48	3.19	-50.40
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933798	0	42	-1.0	-53.31	380.34	4.12	-49.19
COC(=O)C1(CS(=O)(=O)NCC=CC(=O)[O-])CCCCC1	REAL300017933799	0	41	-1.0	-55.58	334.81	4.32	-51.26
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933800	0	34	-1.0	-53.05	319.11	3.82	-49.23
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCC=CC(=O)[O-])=C2	REAL300017933801	0	39	-1.0	-53.78	348.45	6.66	-47.12
O=C([O-])C=CCNS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017933802	0	29	-1.0	-52.96	303.93	4.54	-48.42
O=C([O-])C=CCNS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017933803	0	29	-1.0	-53.70	294.81	4.15	-49.55
COC1=CC=C(Br)C(S(=O)(=O)NCC=CC(=O)[O-])=C1F	REAL300017933804	0	30	-1.0	-52.90	297.59	3.05	-49.85
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCC=CC(=O)[O-]	REAL300017933805	0	36	-1.0	-53.38	323.20	5.13	-48.25
O=C([O-])C=CCNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017933806	0	30	-1.0	-51.75	294.78	4.44	-47.31
O=C([O-])C=CCNS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017933811	0	35	-1.0	-55.28	310.75	3.54	-51.74
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933812	0	42	-1.0	-52.55	363.17	5.59	-46.96
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C21	REAL300017933813	0	46	-1.0	-57.78	375.66	5.30	-52.48
COC(=O)C1=CN(C)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933814	0	33	-1.0	-56.33	303.85	2.81	-53.52
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C21	REAL300017933815	0	40	-1.0	-52.33	344.19	2.91	-49.42
O=C([O-])C=CCNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017933816	0	41	-1.0	-61.13	359.32	5.48	-55.65
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C21	REAL300017933817	0	40	-1.0	-61.25	349.45	4.76	-56.49
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C2)C=C1	REAL300017933818	0	41	-1.0	-50.88	377.53	6.69	-44.19
O=C([O-])C=CCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017933824	0	32	-1.0	-50.81	315.48	3.73	-47.08
O=C([O-])C=CCNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017933825	0	32	-1.0	-52.88	299.36	0.05	-52.83
O=C([O-])C=CCNS(=O)(=O)C1=C(Br)C=CO1	REAL300017933826	1	23	-1.0	-50.06	248.53	1.49	-48.57
COC1=C(F)C=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1F	REAL300017933827	0	30	-1.0	-49.66	294.50	2.37	-47.29
COC1=CC(F)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1F	REAL300017933828	0	30	-1.0	-49.75	282.58	1.96	-47.79
CCCCCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(C)C	REAL300017933829	0	51	-1.0	-49.55	423.09	7.44	-42.11
COC1=CC(C(C)C)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C	REAL300017933830	0	42	-1.0	-49.92	352.12	4.95	-44.97
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933831	0	36	-1.0	-50.52	313.45	4.18	-46.34
CCOCCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(C)C	REAL300017933832	0	49	-1.0	-52.20	414.08	5.30	-46.90
CC(C)(C)C1=NC=C(S(=O)(=O)NCC=CC(=O)[O-])S1	REAL300017933833	0	34	-1.0	-49.42	317.30	2.49	-46.93
N#CC1(C2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C2)CC1	REAL300017933834	0	34	-1.0	-55.26	316.88	5.04	-50.22
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933835	0	30	-1.0	-51.27	287.17	3.47	-47.80
CC1=C(Br)C(S(=O)(=O)NCC=CC(=O)[O-])=C(C)S1	REAL300017933836	0	29	-1.0	-48.18	293.30	4.21	-43.97
CC1=CC(Cl)=C(S(=O)(=O)NCC=CC(=O)[O-])C(Br)=C1	REAL300017933837	0	29	-1.0	-49.55	295.75	4.88	-44.67
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C21	REAL300017933838	0	43	-1.0	-61.22	357.29	4.87	-56.35
O=C([O-])C=CCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017933839	0	32	-1.0	-52.05	302.30	3.46	-48.59
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C21	REAL300017933840	0	40	-1.0	-53.71	345.76	4.31	-49.40
CN1N=C(Br)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933841	0	26	-1.0	-48.79	270.59	0.94	-47.85
O=C([O-])C=CCNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017933842	0	28	-1.0	-49.23	282.77	2.02	-47.21
O=C([O-])C=CCNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300017933843	0	30	-1.0	-52.45	296.61	3.07	-49.38
O=C([O-])C=CCNS(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017933844	0	30	-1.0	-51.42	296.54	3.06	-48.36
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O=C([O-])C=CCNS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300017933887	0	28	-1.0	-48.85	303.00	3.05	-45.80
CNC(=O)NC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933888	0	35	-1.0	-57.27	319.83	0.34	-56.93
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O=C([O-])C=CCNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1	REAL300017933894	0	33	-1.0	-50.07	337.97	2.75	-47.32
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CC1=CC(C)=C(S(=O)(=O)NCC=CC(=O)[O-])C2=NC=CC=C12	REAL300017933896	0	37	-1.0	-55.95	320.08	5.17	-50.78
O=C([O-])C=CCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017933897	0	34	-1.0	-51.22	302.25	2.82	-48.40
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CC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC(C)=C1Br	REAL300017933904	0	32	-1.0	-48.81	306.32	4.57	-44.24
O=C([O-])C=CCNS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017933905	0	30	-1.0	-51.69	298.79	4.52	-47.17
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCC=CC(=O)[O-])=C2	REAL300017933906	0	32	-1.0	-50.73	333.72	4.05	-46.68
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017933908	0	28	-1.0	-51.29	282.50	1.77	-49.52
O=C([O-])C=CCNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017933909	0	31	-1.0	-56.45	305.09	4.01	-52.44
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017933910	0	31	-1.0	-56.45	301.78	3.82	-52.63
CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C2=CC=CC=C12	REAL300017933911	0	35	-1.0	-52.54	307.29	5.73	-46.81
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933912	0	30	-1.0	-52.95	300.49	3.83	-49.12
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017933913	0	33	-1.0	-52.95	306.58	3.20	-49.75
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C21	REAL300017933914	0	40	-1.0	-52.38	353.22	4.34	-48.04
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017933915	0	26	-1.0	-49.56	268.93	3.13	-46.43
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCC=CC(=O)[O-])O1	REAL300017933916	0	32	-1.0	-60.41	312.28	-0.88	-61.29
CN1C=C(S(=O)(=O)NCC=CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300017933917	0	36	-1.0	-52.03	315.88	3.73	-48.30
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300017933918	0	32	-1.0	-52.72	317.31	0.42	-52.30
O=C([O-])C=CCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300017933919	0	30	-1.0	-50.66	301.83	4.62	-46.04
O=C([O-])C=CCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017933920	0	30	-1.0	-50.56	301.82	4.63	-45.93
COC(=O)C1CCCCN1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933921	0	37	-1.0	-52.96	313.21	3.67	-49.29
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C21	REAL300017933922	0	48	-1.0	-49.58	378.21	7.00	-42.58
N#CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300017933923	0	29	-1.0	-56.60	294.09	3.64	-52.96
COC1=CC=C(C=C(C)S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933924	0	37	-1.0	-50.97	321.96	3.70	-47.27
COC(=O)C=CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933925	0	36	-1.0	-53.16	335.29	4.72	-48.44
CCOC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=NN1	REAL300017933926	0	32	-1.0	-52.19	308.83	0.63	-51.56
COC1=CSC(S(=O)(=O)NCC=CC(=O)[O-])=C1OC	REAL300017933927	0	31	-1.0	-51.43	297.41	0.68	-50.75
O=C([O-])C=CCNC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300017933928	0	43	-1.0	-48.40	344.73	8.94	-39.46
CC(C)(C)OC(=O)N1CCN(C(=O)NCC=CC(=O)[O-])CC1	REAL300017933929	0	44	-1.0	-49.19	349.33	5.50	-43.69
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NCC=CC(=O)[O-]	REAL300017933930	0	45	-1.0	-51.19	363.46	6.02	-45.17
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933931	0	30	-1.0	-50.39	299.26	4.00	-46.39
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300017933932	0	30	-1.0	-51.95	297.34	3.62	-48.33
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300017933933	0	30	-1.0	-51.94	294.12	2.47	-49.47
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017933934	0	29	-1.0	-54.02	278.20	4.38	-49.64
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300017933935	0	35	-1.0	-50.40	327.50	3.31	-47.09
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017933936	0	23	-1.0	-46.90	273.70	2.93	-43.97
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933937	0	39	-1.0	-52.50	339.66	5.24	-47.26
CC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017933938	0	43	-1.0	-52.23	367.06	4.73	-47.50
O=C([O-])C=CCNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300017933939	0	29	-1.0	-49.97	304.89	4.24	-45.73
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300017933940	0	31	-1.0	-53.20	300.09	3.46	-49.74
O=C([O-])C=CCNS(=O)(=O)C1=C(I)C=CS1	REAL300017933941	0	23	-1.0	-48.42	262.98	2.70	-45.72
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300017933942	0	37	-1.0	-51.96	339.05	5.74	-46.22
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933943	0	32	-1.0	-55.18	285.50	4.84	-50.34
O=C([O-])C=CCNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300017933944	0	31	-1.0	-53.98	303.51	1.41	-52.57
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300017933945	0	27	-1.0	-51.62	283.79	1.69	-49.93
C=C(C)COC1=CC=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933946	0	37	-1.0	-52.20	332.30	4.45	-47.75
CC1=C(S(=O)(=O)NCC=CC(=O)[O-])C2=NSN=C2C=C1	REAL300017933947	0	30	-1.0	-53.87	286.65	2.20	-51.67
O=C([O-])C=CCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300017933948	0	32	-1.0	-50.14	311.27	5.60	-44.54
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300017933949	0	36	-1.0	-49.86	339.56	6.76	-43.10
CCC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1Br	REAL300017933950	0	32	-1.0	-48.54	307.68	4.69	-43.85
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933951	0	39	-1.0	-49.48	335.40	4.01	-45.47
COCCC1=CC=C(OC)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933952	0	40	-1.0	-52.26	345.72	3.15	-49.11
O=C([O-])C=CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300017933953	0	32	-1.0	-51.19	295.98	5.13	-46.06
CN1N=C2CCOCC2=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933954	0	34	-1.0	-50.39	299.28	0.51	-49.88
O=C([O-])C=CCNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300017933955	0	32	-1.0	-51.35	313.47	2.66	-48.69
CC(=O)OCC1CCN(S(=O)(=O)NCC=CC(=O)[O-])CC1	REAL300017933956	0	40	-1.0	-53.64	343.85	3.61	-50.03
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933957	0	40	-1.0	-56.64	358.18	3.16	-53.48
O=C([O-])C=CCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300017933958	0	36	-1.0	-50.94	310.86	0.60	-50.34
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300017933959	0	41	-1.0	-50.90	350.52	3.21	-47.69
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933960	0	29	-1.0	-49.02	283.72	0.52	-48.50
O=C([O-])C=CCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017933961	0	25	-1.0	-52.67	275.97	0.80	-51.87
O=C([O-])C=CCNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300017933962	0	30	-1.0	-50.43	311.50	4.95	-45.48
COC(=O)C1=NC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C	REAL300017933963	0	34	-1.0	-51.56	315.41	2.19	-49.37
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933964	0	29	-1.0	-56.43	286.89	4.71	-51.72
O=C([O-])C=CCNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300017933965	0	33	-1.0	-50.41	303.87	4.09	-46.32
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300017933966	0	33	-1.0	-50.95	308.49	5.02	-45.93
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1	REAL300017933967	0	40	-1.0	-51.10	357.43	6.39	-44.71
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300017933968	0	33	-1.0	-51.96	310.15	5.06	-46.90
O=C([O-])C=CCNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300017933969	0	30	-1.0	-52.44	292.03	2.97	-49.47
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300017933970	0	29	-1.0	-51.60	279.07	3.45	-48.15
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933971	0	34	-1.0	-59.12	306.89	-1.37	-60.49
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300017933973	0	33	-1.0	-53.27	304.18	5.21	-48.06
COC1=CC=C(I)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933974	0	30	-1.0	-50.33	299.44	3.40	-46.93
CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(Cl)=C1Cl	REAL300017933975	0	29	-1.0	-50.19	284.25	3.94	-46.25
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300017933976	0	30	-1.0	-48.06	292.87	2.38	-45.68
O=C([O-])C=CCNS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017933977	0	33	-1.0	-51.30	312.60	3.71	-47.59
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C2)C=C1	REAL300017933978	0	49	-1.0	-51.21	420.12	8.04	-43.17
COC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(C(F)F)=C1	REAL300017933979	0	33	-1.0	-51.12	300.25	3.47	-47.65
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933980	0	32	-1.0	-48.96	305.86	0.98	-47.98
CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C2=NC=CC=C12	REAL300017933981	0	34	-1.0	-55.58	298.58	4.48	-51.10
O=C([O-])C=CCNS(=O)(=O)N1CC=C(Br)CC1	REAL300017933982	0	29	-1.0	-49.46	280.08	2.54	-46.92
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933984	0	39	-1.0	-51.48	330.28	4.86	-46.62
O=C([O-])C=CCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300017933985	0	33	-1.0	-52.96	314.27	3.46	-49.50
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=CC(Cl)=C1)C(=O)[O-]	REAL300017933990	0	30	-1.0	-39.52	304.46	4.90	-34.62
C#CCC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300017934268	0	36	-1.0	-48.90	323.67	3.62	-45.28
C#CCC[C@H](NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300017934269	0	33	-1.0	-42.25	314.30	4.86	-37.39
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)CC)=CC=C1Cl)C(=O)[O-]	REAL300017934270	0	38	-1.0	-48.94	359.98	6.20	-42.74
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300017934271	0	39	-1.0	-44.19	341.00	6.19	-38.00
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017934272	0	36	-1.0	-45.17	354.11	2.29	-42.88
C#CCC[C@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300017934273	0	33	-1.0	-40.44	323.18	3.46	-36.98
C#CCC[C@H](NS(=O)(=O)C1=COC(C(=O)N(C)C)=C1C)C(=O)[O-]	REAL300017934274	0	40	-1.0	-47.84	352.46	3.23	-44.61
C#CCC[C@H](NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017934275	0	34	-1.0	-47.56	337.14	1.71	-45.85
C#CCC[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300017934276	0	41	-1.0	-44.58	362.16	5.67	-38.91
C#CCC[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017934277	0	33	-1.0	-41.87	336.19	6.07	-35.80
C#CCC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300017934278	0	38	-1.0	-45.08	352.47	2.89	-42.19
C#CCC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300017934279	0	41	-1.0	-47.56	380.08	4.19	-43.37
C#CCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300017934280	0	36	-1.0	-62.19	341.86	5.78	-56.41
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300017934281	0	33	-1.0	-40.54	337.29	6.05	-34.49
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300017934282	0	36	-1.0	-47.57	332.64	5.74	-41.83
C#CCC[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017934283	0	43	-1.0	-44.13	370.99	7.63	-36.50
C#CCC[C@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300017934284	0	41	-1.0	-44.47	360.70	5.00	-39.47
C#CCC[C@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300017934285	0	37	-1.0	-49.10	359.01	6.75	-42.35
C#CCC[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300017934286	0	39	-1.0	-48.29	342.15	1.49	-46.80
C#CCC[C@H](NS(=O)(=O)C1=CC(CCC)=CC=C1Cl)C(=O)[O-]	REAL300017934287	0	39	-1.0	-43.48	359.97	7.15	-36.33
C#CCC[C@H](NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300017934288	0	35	-1.0	-44.10	330.93	3.54	-40.56
C#CCC[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300017934289	0	30	-1.0	-40.71	311.01	5.49	-35.22
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300017934290	0	36	-1.0	-48.12	324.22	6.71	-41.41
C#CCC[C@H](NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934291	0	35	-1.0	-52.34	322.85	6.12	-46.22
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017934292	0	40	-1.0	-46.85	357.76	7.78	-39.07
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300017934293	0	33	-1.0	-49.07	333.21	5.79	-43.28
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017934294	0	30	-1.0	-39.81	320.42	6.08	-33.73
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300017934295	0	45	-1.0	-45.31	374.03	7.14	-38.17
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300017934296	0	33	-1.0	-41.93	316.79	5.42	-36.51
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300017934297	0	40	-1.0	-45.08	352.84	5.21	-39.87
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017934298	0	30	-1.0	-43.16	296.38	4.62	-38.54
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300017934299	0	30	-1.0	-39.15	302.57	4.53	-34.62
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017934300	1	30	-1.0	-39.83	303.60	4.69	-35.14
C#CCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300017934301	0	33	-1.0	-41.33	314.13	5.00	-36.33
C#CCC[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017934302	0	30	-1.0	-39.76	303.51	4.68	-35.08
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017934303	0	30	-1.0	-39.43	289.20	4.13	-35.30
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300017934304	0	31	-1.0	-50.97	287.16	3.02	-47.95
C#CCC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017934305	0	33	-1.0	-39.74	327.91	5.42	-34.32
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017934306	0	35	-1.0	-50.29	306.64	5.36	-44.93
C#CCC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300017934307	0	33	-1.0	-39.85	307.21	5.73	-34.12
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300017934308	0	41	-1.0	-47.90	386.82	7.70	-40.20
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300017934309	0	30	-1.0	-47.31	292.79	4.53	-42.78
C#CCC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300017934310	0	30	-1.0	-41.16	306.73	5.14	-36.02
C#CCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300017934311	0	36	-1.0	-40.54	323.63	4.81	-35.73
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300017934312	0	34	-1.0	-46.50	319.31	3.74	-42.76
C#CCC[C@H](NS(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017934313	1	30	-1.0	-41.66	298.08	4.69	-36.97
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300017934314	0	30	-1.0	-41.86	310.59	5.03	-36.83
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300017934315	0	45	-1.0	-44.50	399.49	6.45	-38.05
C#CCC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(Cl)=C1)C(=O)[O-]	REAL300017934316	0	37	-1.0	-46.56	353.46	3.88	-42.68
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300017934317	0	46	-1.0	-47.54	388.93	7.51	-40.03
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl)C(=O)[O-]	REAL300017934319	0	33	-1.0	-44.73	322.43	6.16	-38.57
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017934320	0	33	-1.0	-40.68	337.73	6.00	-34.68
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300017934321	0	40	-1.0	-47.85	351.67	6.07	-41.78
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300017934322	0	37	-1.0	-43.55	331.93	1.76	-41.79
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(N)=O)=C1)C(=O)[O-]	REAL300017934323	0	38	-1.0	-48.19	345.41	1.73	-46.46
C#CCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300017934324	0	35	-1.0	-39.23	320.80	5.77	-33.46
C#CCC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300017934325	0	37	-1.0	-61.76	332.86	2.90	-58.86
C#CCC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017934326	0	35	-1.0	-43.42	315.40	5.61	-37.81
C#CCC[C@H](NS(=O)(=O)N1CCC(C(=O)OCC)CC1)C(=O)[O-]	REAL300017934327	0	44	-1.0	-42.14	378.29	5.14	-37.00
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300017934328	0	30	-1.0	-49.35	300.44	3.90	-45.45
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CCNC(C)=O)C=C1)C(=O)[O-]	REAL300017934329	0	43	-1.0	-49.60	385.03	4.10	-45.50
C#CCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300017934330	0	38	-1.0	-41.33	339.79	6.68	-34.65
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300017934331	0	42	-1.0	-43.14	362.48	7.00	-36.14
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300017934332	0	40	-1.0	-43.52	357.89	4.82	-38.70
C#CCC[C@H](NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300017934333	0	42	-1.0	-42.47	355.54	1.60	-40.87
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300017934334	0	33	-1.0	-41.01	311.88	5.70	-35.31
C#CCC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300017934336	0	37	-1.0	-54.55	348.54	5.64	-48.91
C#CCC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1F)C(=O)[O-]	REAL300017934337	0	36	-1.0	-48.88	338.85	4.74	-44.14
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1Cl)C(=O)[O-]	REAL300017934338	0	34	-1.0	-51.58	337.49	4.63	-46.95
C#CCC[C@H](NS(=O)(=O)C1=C(Br)C=C(C)S1)C(=O)[O-]	REAL300017934339	0	30	-1.0	-38.29	305.00	4.36	-33.93
C#CCC[C@H](NS(=O)(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1)C(=O)[O-]	REAL300017934340	0	40	-1.0	-43.31	369.64	6.23	-37.08
C#CCC[C@H](NS(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017934341	0	33	-1.0	-39.97	324.06	3.17	-36.80
C#CCC[C@H](NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300017934342	0	34	-1.0	-43.85	334.10	3.19	-40.66
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)N=CC=C12)C(=O)[O-]	REAL300017934343	0	41	-1.0	-46.70	370.30	5.37	-41.33
C#CCC[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300017934344	0	35	-1.0	-50.40	332.76	4.81	-45.59
C#CCC[C@H](NS(=O)(=O)C1=C(C)SC(Br)=C1)C(=O)[O-]	REAL300017934345	0	30	-1.0	-39.55	311.86	4.91	-34.64
C#CCC[C@H](NS(=O)(=O)C1=CNC(C(=O)OC)=C1)C(=O)[O-]	REAL300017934346	0	34	-1.0	-46.47	326.98	2.71	-43.76
C#CCC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300017934347	0	31	-1.0	-41.46	303.13	4.53	-36.93
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300017934348	0	31	-1.0	-41.49	313.39	4.98	-36.51
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300017934349	0	33	-1.0	-41.95	320.83	5.51	-36.44
C#CCC[C@H](NS(=O)(=O)C1=CN(CC(=O)OC)N=C1)C(=O)[O-]	REAL300017934350	0	36	-1.0	-51.08	340.70	3.10	-47.98
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300017934351	0	36	-1.0	-44.20	337.69	7.14	-37.06
C#CCC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C2=CC=CC=C21)C(=O)[O-]	REAL300017934352	0	43	-1.0	-55.22	370.89	5.54	-49.68
C#CCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300017934353	0	35	-1.0	-40.02	332.11	6.43	-33.59
C#CCC[C@H](NS(=O)(=O)C1=CC=C2OC(CC)=NC2=C1)C(=O)[O-]	REAL300017934354	0	38	-1.0	-47.88	348.72	2.77	-45.11
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300017934355	0	44	-1.0	-49.92	387.21	5.51	-44.41
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017934356	0	36	-1.0	-42.92	342.52	5.03	-37.89
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300017934357	0	39	-1.0	-43.69	364.38	5.96	-37.73
C#CCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300017934358	0	37	-1.0	-44.42	331.78	5.92	-38.50
C#CCC[C@H](NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300017934359	0	45	-1.0	-45.37	375.66	5.63	-39.74
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(Br)S1)C(=O)[O-]	REAL300017934360	0	30	-1.0	-40.99	314.52	4.65	-36.34
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300017934362	0	36	-1.0	-42.18	329.31	5.70	-36.48
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300017934363	0	34	-1.0	-46.65	325.83	5.53	-41.12
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017934364	0	36	-1.0	-41.92	346.93	5.06	-36.86
C#CCC[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300017934365	0	42	-1.0	-46.84	367.78	5.83	-41.01
C#CCC[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300017934366	0	48	-1.0	-42.59	370.42	6.07	-36.52
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300017934367	0	38	-1.0	-50.73	325.98	5.84	-44.89
C#CCC[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934368	0	38	-1.0	-53.11	346.93	6.20	-46.91
C#CCC[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300017934369	0	41	-1.0	-46.96	360.74	2.91	-44.05
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300017934370	0	44	-1.0	-43.11	387.47	5.40	-37.71
C#CCC[C@H](NS(=O)(=O)CC1CCC(F)CC1)C(=O)[O-]	REAL300017934372	0	39	-1.0	-43.91	329.62	5.48	-38.43
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017934373	0	33	-1.0	-42.17	319.06	5.45	-36.72
C#CCC[C@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300017934374	0	36	-1.0	-53.20	331.70	5.35	-47.85
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300017934375	0	39	-1.0	-45.11	367.56	5.78	-39.33
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017934376	0	36	-1.0	-49.68	346.78	5.19	-44.49
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300017934377	0	39	-1.0	-46.46	351.46	5.30	-41.16
C#CCC[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017934378	0	36	-1.0	-42.45	338.27	6.22	-36.23
C#CCC[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017934379	0	33	-1.0	-42.36	322.63	5.50	-36.86
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300017934380	0	30	-1.0	-40.16	321.60	5.49	-34.67
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017934381	0	37	-1.0	-50.18	337.24	1.75	-48.43
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCCCCCCCC)C=C1)C(=O)[O-]	REAL300017934382	0	55	-1.0	-43.59	463.56	9.32	-34.27
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300017934383	0	45	-1.0	-54.26	393.45	6.70	-47.56
C#CCC[C@H](NS(=O)(=O)N1CCC(CC)CC1)C(=O)[O-]	REAL300017934384	0	41	-1.0	-39.55	326.12	4.41	-35.14
C#CCC[C@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017934385	0	36	-1.0	-41.59	330.49	5.84	-35.75
C#CCC[C@H](NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300017934386	0	36	-1.0	-46.02	331.83	5.85	-40.17
C#CCC[C@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017934387	0	36	-1.0	-45.23	340.09	6.19	-39.04
C#CCC[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300017934388	0	34	-1.0	-38.52	320.83	5.13	-33.39
C#CCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300017934389	0	45	-1.0	-47.17	369.72	3.52	-43.65
C#CCC[C@H](NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300017934390	0	41	-1.0	-47.24	374.81	4.87	-42.37
C#CCC[C@H](NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300017934391	0	37	-1.0	-45.06	358.16	6.97	-38.09
C#CCC[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-]	REAL300017934392	0	39	-1.0	-40.86	333.87	2.60	-38.26
C#CCC[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017934393	0	33	-1.0	-42.05	325.85	5.63	-36.42
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300017934394	0	43	-1.0	-44.10	371.36	5.99	-38.11
C#CCC[C@H](NS(=O)(=O)CC(C)CC(F)(F)F)C(=O)[O-]	REAL300017934395	0	35	-1.0	-38.55	314.02	4.48	-34.07
C#CCC[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C(=O)[O-]	REAL300017934396	0	37	-1.0	-51.65	347.43	6.49	-45.16
C#CCC[C@H](NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300017934397	0	42	-1.0	-47.22	373.51	4.15	-43.07
C#CCC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1OC)C(=O)[O-]	REAL300017934398	0	34	-1.0	-41.27	300.09	4.52	-36.75
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017934399	0	36	-1.0	-46.17	338.76	3.72	-42.45
C#CCC[C@H](NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300017934400	0	43	-1.0	-54.89	373.31	7.05	-47.84
C#CCC[C@H](NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300017934401	0	41	-1.0	-52.05	368.57	4.93	-47.12
C#CCC[C@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300017934402	0	33	-1.0	-44.59	323.32	3.87	-40.72
C#CCC[C@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300017934403	0	33	-1.0	-54.25	332.53	4.20	-50.05
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300017934404	0	49	-1.0	-45.57	415.05	7.41	-38.16
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017934405	0	38	-1.0	-45.55	343.34	6.73	-38.82
C#CCC[C@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300017934406	0	37	-1.0	-43.95	325.94	4.11	-39.84
C#CCC[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300017934407	0	43	-1.0	-44.72	384.21	6.72	-38.00
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300017934408	0	44	-1.0	-46.37	398.81	7.67	-38.70
C#CCC[C@H](NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300017934409	0	40	-1.0	-42.55	361.92	4.99	-37.56
C#CCC[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300017934410	0	42	-1.0	-46.47	365.39	5.77	-40.70
C#CCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300017934411	0	38	-1.0	-46.01	363.23	3.21	-42.80
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300017934412	0	42	-1.0	-46.84	373.39	7.22	-39.62
C#CCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300017934413	0	41	-1.0	-47.63	366.02	3.40	-44.23
C#CCC[C@H](NS(=O)(=O)CC1(C(F)F)CCCC1)C(=O)[O-]	REAL300017934414	0	39	-1.0	-46.22	321.92	5.57	-40.65
C#CCC[C@H](NS(=O)(=O)CC1(OCC)CCOCC1)C(=O)[O-]	REAL300017934415	0	44	-1.0	-41.40	356.40	3.04	-38.36
C#CCC[C@H](NS(=O)(=O)CC(OCC)C1CC1)C(=O)[O-]	REAL300017934416	0	40	-1.0	-43.97	346.20	4.64	-39.33
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017934417	0	36	-1.0	-49.24	335.83	4.69	-44.55
C#CCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300017934418	0	41	-1.0	-59.57	373.94	5.93	-53.64
C#CCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300017934419	0	33	-1.0	-43.04	324.18	3.02	-40.02
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017934420	0	41	-1.0	-46.10	381.96	8.41	-37.69
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300017934421	0	33	-1.0	-39.43	323.11	5.86	-33.57
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1Br)C(=O)[O-]	REAL300017934422	0	33	-1.0	-44.11	317.24	5.66	-38.45
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(=O)OC)C(=O)[O-]	REAL300017934423	0	36	-1.0	-47.00	337.34	6.01	-40.99
C#CCC[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300017934424	0	38	-1.0	-44.48	341.63	2.12	-42.36
C#CCC[C@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300017934425	0	34	-1.0	-43.04	332.12	4.24	-38.80
C#CCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300017934426	0	36	-1.0	-42.52	336.86	5.06	-37.46
C#CCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300017934427	0	36	-1.0	-40.16	331.17	6.11	-34.05
C#CCC[C@H](NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300017934428	0	37	-1.0	-47.00	343.33	1.98	-45.02
C#CCC[C@H](NS(=O)(=O)C1=C(C)N(CC2CC2)N=C1C)C(=O)[O-]	REAL300017934429	0	43	-1.0	-47.30	371.40	5.78	-41.52
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300017934430	0	37	-1.0	-47.53	347.93	4.90	-42.63
C#CCC[C@H](NS(=O)(=O)C1=C(C)N(CCCCCCCC)N=C1C)C(=O)[O-]	REAL300017934431	0	57	-1.0	-45.79	467.07	8.79	-37.00
C#CCC[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017934432	0	38	-1.0	-44.01	355.63	6.49	-37.52
C#CCC[C@H](NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300017934433	0	30	-1.0	-40.13	308.33	4.98	-35.15
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300017934434	0	33	-1.0	-43.66	317.64	5.13	-38.53
C#CCC[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300017934435	0	37	-1.0	-57.96	345.93	2.18	-55.78
C#CCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC)C(=O)[O-]	REAL300017934436	0	39	-1.0	-46.82	357.26	5.27	-41.55
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300017934437	0	33	-1.0	-41.89	314.23	5.73	-36.16
C#CCC[C@H](NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300017934438	0	37	-1.0	-43.76	324.54	4.31	-39.45
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300017934439	0	34	-1.0	-42.15	331.24	4.28	-37.87
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017934440	0	33	-1.0	-58.80	349.73	1.35	-57.45
C#CCC[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300017934441	0	33	-1.0	-47.67	325.28	3.38	-44.29
C#CCC[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300017934442	0	41	-1.0	-45.86	358.76	5.57	-40.29
C#CCC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017934443	0	38	-1.0	-47.39	360.28	1.09	-46.30
C#CCC[C@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300017934444	0	41	-1.0	-46.51	381.75	1.98	-44.53
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(CNC(=O)CC)=C1)C(=O)[O-]	REAL300017934445	0	47	-1.0	-49.79	412.24	3.47	-46.32
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(CC)C=C1)C(=O)[O-]	REAL300017934446	0	39	-1.0	-44.16	348.80	6.48	-37.68
C#CCC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300017934447	0	34	-1.0	-44.80	329.81	4.38	-40.42
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300017934448	0	45	-1.0	-47.21	397.34	4.80	-42.41
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300017934449	0	39	-1.0	-53.85	365.74	2.77	-51.08
C#CCC[C@H](NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300017934450	0	32	-1.0	-41.86	329.60	4.22	-37.64
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(C)=O)=C1)C(=O)[O-]	REAL300017934451	0	35	-1.0	-42.34	341.14	5.40	-36.94
C#CCC[C@H](NS(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl)C(=O)[O-]	REAL300017934452	0	35	-1.0	-48.86	337.39	5.33	-43.53
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300017934454	0	37	-1.0	-45.06	355.35	5.25	-39.81
C#CCC[C@H](NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017934455	0	44	-1.0	-42.53	396.07	3.69	-38.84
C#CCC[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017934456	0	33	-1.0	-49.68	316.53	5.09	-44.59
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC(F)=C1OC)C(=O)[O-]	REAL300017934457	0	43	-1.0	-45.75	393.20	5.97	-39.78
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300017934458	0	30	-1.0	-39.31	313.72	5.78	-33.53
C#CCC[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300017934459	0	39	-1.0	-42.69	329.01	2.62	-40.07
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300017934460	0	40	-1.0	-45.35	354.90	5.20	-40.15
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300017934461	0	46	-1.0	-43.53	395.14	6.71	-36.82
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300017934462	0	44	-1.0	-45.06	377.28	6.58	-38.48
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300017934463	0	43	-1.0	-44.36	376.52	6.08	-38.28
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCCC)C=C1)C(=O)[O-]	REAL300017934464	0	40	-1.0	-44.39	356.42	5.38	-39.01
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300017934465	0	34	-1.0	-45.31	329.11	4.21	-41.10
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017934466	0	34	-1.0	-44.38	336.60	4.44	-39.94
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300017934467	0	37	-1.0	-44.18	330.90	4.35	-39.83
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300017934468	0	43	-1.0	-44.76	370.67	5.90	-38.86
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300017934469	0	37	-1.0	-43.34	321.51	4.39	-38.95
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300017934470	0	41	-1.0	-45.41	368.20	3.88	-41.53
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCCOC)C(C)=C1)C(=O)[O-]	REAL300017934471	0	44	-1.0	-47.67	386.37	4.55	-43.12
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC=C)=C1)C(=O)[O-]	REAL300017934472	0	41	-1.0	-49.51	372.07	3.98	-45.53
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300017934473	0	45	-1.0	-46.80	386.00	3.76	-43.04
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017934474	0	40	-1.0	-53.14	355.72	4.22	-48.92
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C)C=C1Br)C(=O)[O-]	REAL300017934475	0	33	-1.0	-42.63	315.44	5.61	-37.02
C#CCC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300017934476	0	36	-1.0	-53.51	357.68	2.45	-51.06
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017934477	0	36	-1.0	-45.88	343.65	6.37	-39.51
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300017934478	0	31	-1.0	-40.87	319.78	5.16	-35.71
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300017934479	0	33	-1.0	-40.43	316.93	5.82	-34.61
C#CCC[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300017934480	0	38	-1.0	-49.24	328.98	7.11	-42.13
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl)C(=O)[O-]	REAL300017934481	0	36	-1.0	-44.35	350.31	5.60	-38.75
C#CCC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300017934482	0	39	-1.0	-53.72	356.76	2.74	-50.98
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300017934483	0	34	-1.0	-39.74	321.49	6.05	-33.69
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300017934484	0	31	-1.0	-40.51	317.63	5.11	-35.40
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300017934485	0	46	-1.0	-49.00	395.81	6.13	-42.87
C#CCC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300017934486	0	42	-1.0	-48.31	390.33	2.16	-46.15
C#CCC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300017934487	0	38	-1.0	-49.93	360.20	0.53	-49.40
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CCNC(C)=O)S1)C(=O)[O-]	REAL300017934488	0	40	-1.0	-49.03	377.42	3.26	-45.77
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017934489	0	33	-1.0	-46.79	323.12	3.15	-43.64
C#CCC[C@H](NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300017934490	0	32	-1.0	-44.27	308.81	2.93	-41.34
C#CCC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934491	1	32	-1.0	-50.29	310.57	6.04	-44.25
C#CCC[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300017934492	0	33	-1.0	-39.42	338.23	6.04	-33.38
C#CCC[C@H](NS(=O)(=O)C1=C(C)NC(C(=O)OCC)=C1C)C(=O)[O-]	REAL300017934493	0	43	-1.0	-47.63	377.24	5.00	-42.63
C#CCC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017934494	0	30	-1.0	-45.24	298.84	5.16	-40.08
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300017934495	0	36	-1.0	-47.10	363.03	4.92	-42.18
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300017934496	0	50	-1.0	-43.92	417.81	8.00	-35.92
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017934497	0	40	-1.0	-46.68	378.58	3.89	-42.79
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C)C(=O)[O-]	REAL300017934498	0	39	-1.0	-44.90	347.15	5.75	-39.15
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934499	0	32	-1.0	-45.74	317.74	6.36	-39.38
C#CCC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1F)C(=O)[O-]	REAL300017934500	0	38	-1.0	-46.13	333.76	3.21	-42.92
C#CCC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300017934501	0	41	-1.0	-45.57	353.79	4.38	-41.19
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934502	1	32	-1.0	-42.43	332.79	7.05	-35.38
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300017934503	0	38	-1.0	-50.70	328.82	6.09	-44.61
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300017934504	0	33	-1.0	-53.82	322.40	5.25	-48.57
C#CCC[C@H](NS(=O)(=O)C1=CN(C)C(C(N)=O)=C1)C(=O)[O-]	REAL300017934505	0	35	-1.0	-47.43	325.83	0.51	-46.92
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300017934506	0	33	-1.0	-40.44	312.35	5.72	-34.72
C#CCC[C@H](NS(=O)(=O)N1CCCC1C(=O)OCC)C(=O)[O-]	REAL300017934507	0	41	-1.0	-44.34	357.96	5.13	-39.21
C#CCC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300017934508	0	38	-1.0	-47.06	345.51	1.96	-45.10
C#CCC[C@H](NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300017934509	0	40	-1.0	-44.00	337.71	5.17	-38.83
C#CCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300017934510	0	38	-1.0	-57.45	353.60	4.00	-53.45
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300017934511	0	39	-1.0	-42.73	357.39	5.65	-37.08
C#CCC[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)[O-]	REAL300017934512	0	41	-1.0	-42.49	356.32	4.20	-38.29
C#CCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300017934513	0	41	-1.0	-45.17	359.05	4.49	-40.68
C#CCC[C@H](NS(=O)(=O)CC1=CC=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017934514	0	39	-1.0	-47.72	357.23	5.64	-42.08
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300017934515	0	36	-1.0	-45.59	342.73	4.06	-41.53
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCCC(=O)OC)C=C1)C(=O)[O-]	REAL300017934516	0	43	-1.0	-47.35	390.03	5.46	-41.89
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300017934517	0	40	-1.0	-44.22	344.69	5.22	-39.00
C#CCC[C@H](NS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300017934518	0	34	-1.0	-47.42	319.69	4.69	-42.73
C#CCC[C@H](NS(=O)(=O)CCCC(=O)OCC)C(=O)[O-]	REAL300017934519	0	38	-1.0	-42.04	341.49	4.47	-37.57
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017934520	0	33	-1.0	-44.48	320.01	6.46	-38.02
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934521	0	32	-1.0	-45.69	322.30	6.47	-39.22
C#CCC[C@H](NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934522	0	35	-1.0	-50.06	315.38	6.68	-43.38
C#CCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300017934523	0	32	-1.0	-40.59	328.56	5.74	-34.85
C#CCC[C@H](NS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017934524	0	27	-1.0	-41.17	289.15	3.85	-37.32
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300017934525	0	34	-1.0	-43.44	317.78	4.66	-38.78
C#CCC[C@H](NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300017934526	0	38	-1.0	-48.16	329.03	5.54	-42.62
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300017934527	0	32	-1.0	-40.48	316.48	3.68	-36.80
C#CCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300017934528	0	38	-1.0	-48.25	336.32	3.21	-45.04
C#CCC[C@H](NS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017934529	0	29	-1.0	-42.15	313.46	3.67	-38.48
C#CCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300017934530	0	32	-1.0	-43.30	304.75	4.69	-38.61
C#CCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017934531	0	32	-1.0	-38.89	325.74	5.44	-33.45
C#CCC[C@H](NS(=O)(=O)C1=NNC(C)=C1C(=O)OCC)C(=O)[O-]	REAL300017934532	0	39	-1.0	-51.86	363.60	2.87	-48.99
C#CCC[C@H](NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934533	0	35	-1.0	-55.49	333.95	5.23	-50.26
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934534	0	32	-1.0	-52.92	314.23	6.07	-46.85
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017934535	0	32	-1.0	-39.85	315.94	5.05	-34.80
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300017934536	0	37	-1.0	-43.52	354.49	5.04	-38.48
C#CCC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934537	0	32	-1.0	-45.00	322.29	6.47	-38.53
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017934538	0	44	-1.0	-45.79	394.84	7.65	-38.14
C#CCC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017934539	0	38	-1.0	-47.73	352.29	0.62	-47.11
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300017934540	0	38	-1.0	-49.63	346.67	5.62	-44.01
C#CCC[C@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300017934541	0	43	-1.0	-45.46	371.60	3.23	-42.23
C#CCC[C@H](NS(=O)(=O)C1=C(OC)C=CC2=NC(Cl)=CC=C21)C(=O)[O-]	REAL300017934542	0	39	-1.0	-48.12	362.62	5.60	-42.52
C#CCC[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017934543	0	40	-1.0	-48.64	369.56	5.93	-42.71
C#CCC[C@H](NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300017934544	0	33	-1.0	-59.85	308.21	3.45	-56.40
C#CCC[C@H](NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300017934545	0	52	-1.0	-43.16	415.88	7.19	-35.97
C#CCC[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017934546	0	38	-1.0	-51.08	357.14	1.07	-50.01
C#CCC[C@H](NS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017934547	0	36	-1.0	-44.53	346.43	1.86	-42.67
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300017934548	0	43	-1.0	-49.02	375.03	6.98	-42.04
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300017934549	0	40	-1.0	-45.04	337.00	5.66	-39.38
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300017934550	0	35	-1.0	-52.37	329.65	4.48	-47.89
C#CCC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017934551	0	37	-1.0	-47.92	341.74	5.43	-42.49
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017934552	0	32	-1.0	-44.25	327.98	5.48	-38.77
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300017934553	0	31	-1.0	-50.82	307.88	4.69	-46.13
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300017934554	0	44	-1.0	-45.95	390.40	4.81	-41.14
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCCCCC)C=C1)C(=O)[O-]	REAL300017934555	0	46	-1.0	-43.58	399.07	6.97	-36.61
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934556	0	32	-1.0	-47.22	315.93	6.50	-40.72
C#CCC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017934557	0	36	-1.0	-45.22	342.92	5.04	-40.18
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017934558	0	36	-1.0	-49.79	360.83	5.83	-43.96
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC)C(=O)[O-]	REAL300017934559	0	40	-1.0	-44.64	348.33	5.11	-39.53
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)S1)C(=O)[O-]	REAL300017934560	0	36	-1.0	-46.93	352.94	4.97	-41.96
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CS1)C(=O)[O-]	REAL300017934561	0	33	-1.0	-43.45	329.37	4.02	-39.43
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C)C(=O)[O-]	REAL300017934562	0	42	-1.0	-46.38	367.93	6.39	-39.99
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017934563	0	36	-1.0	-44.31	350.90	5.39	-38.92
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017934564	0	39	-1.0	-43.52	352.16	5.50	-38.02
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1F)C(=O)[O-]	REAL300017934565	0	36	-1.0	-45.70	331.26	4.67	-41.03
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300017934566	0	40	-1.0	-43.62	331.14	6.78	-36.84
C#CCC[C@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017934567	0	36	-1.0	-46.84	327.21	6.10	-40.74
C#CCC[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300017934568	0	29	-1.0	-41.96	299.89	3.16	-38.80
C#CCC[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300017934569	0	34	-1.0	-42.18	339.96	5.82	-36.36
C#CCC[C@H](NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300017934570	0	35	-1.0	-42.82	317.31	3.61	-39.21
C#CCC[C@H](NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300017934571	0	35	-1.0	-41.62	331.99	-0.21	-41.83
C#CCC[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300017934572	0	44	-1.0	-46.28	394.32	6.27	-40.01
C#CCC[C@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300017934573	0	39	-1.0	-48.92	347.53	4.80	-44.12
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC)C(=O)[O-]	REAL300017934574	0	35	-1.0	-46.47	334.30	4.28	-42.19
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(F)C=C1F)C(=O)[O-]	REAL300017934575	0	33	-1.0	-44.06	303.21	4.71	-39.35
C#CCC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300017934576	0	37	-1.0	-42.23	334.82	5.33	-36.90
C#CCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300017934577	0	42	-1.0	-46.23	372.06	5.85	-40.38
C#CCC[C@H](NS(=O)(=O)C1=CN(CCCCCC)C(=O)NC1=O)C(=O)[O-]	REAL300017934578	0	48	-1.0	-52.72	407.99	4.81	-47.91
C#CCC[C@H](NS(=O)(=O)C1=CC=C(N2C=C(C)C=N2)C(F)=C1)C(=O)[O-]	REAL300017934579	0	40	-1.0	-46.25	367.18	6.22	-40.03
C#CCC[C@H](NS(=O)(=O)C1=C(OC)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300017934580	0	37	-1.0	-41.54	348.77	3.08	-38.46
C#CCC[C@H](NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300017934581	0	37	-1.0	-47.29	342.67	-0.99	-48.28
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=C(C)C=C1F)C(=O)[O-]	REAL300017934582	0	33	-1.0	-43.05	303.96	4.80	-38.25
C#CCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1Cl)C(=O)[O-]	REAL300017934583	0	35	-1.0	-55.29	338.45	5.99	-49.30
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017934584	0	27	-1.0	-44.40	287.96	3.09	-41.31
C#CCC[C@H](NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017934585	0	36	-1.0	-48.54	334.01	5.95	-42.59
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017934586	0	27	-1.0	-49.20	308.55	4.50	-44.70
C#CCC[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1)C(=O)[O-]	REAL300017934587	0	33	-1.0	-42.88	326.65	5.84	-37.04
C#CCC[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300017934588	0	33	-1.0	-43.93	339.22	6.31	-37.62
C#CCC[C@H](NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017934589	0	36	-1.0	-45.05	351.19	7.25	-37.80
C#CCC[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12)C(=O)[O-]	REAL300017934590	0	33	-1.0	-42.70	331.83	6.07	-36.63
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300017934591	0	36	-1.0	-47.71	329.81	7.18	-40.53
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017934592	0	36	-1.0	-46.12	335.82	7.02	-39.10
C#CCC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017934593	0	41	-1.0	-45.75	388.58	3.30	-42.45
C#CCC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300017934594	0	40	-1.0	-51.81	366.62	5.40	-46.41
C#CCC[C@H](NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)CC2=C1)C(=O)[O-]	REAL300017934595	0	44	-1.0	-49.08	394.81	6.55	-42.53
C#CCC[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017934596	0	36	-1.0	-51.50	346.43	1.86	-49.64
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300017934597	0	39	-1.0	-47.17	368.58	4.19	-42.98
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300017934598	0	43	-1.0	-48.41	387.87	5.84	-42.57
C#CCC[C@H](NS(=O)(=O)C1=C(C)C2=C(F)C=CC=C2S1)C(=O)[O-]	REAL300017934599	0	36	-1.0	-46.63	338.82	6.54	-40.09
C#CCC[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300017934600	0	41	-1.0	-46.80	382.15	1.38	-45.42
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300017934602	0	41	-1.0	-44.91	358.19	5.02	-39.89
C#CCC[C@H](NS(=O)(=O)C1=CN=C(Cl)N1C)C(=O)[O-]	REAL300017934603	0	30	-1.0	-44.67	299.61	3.29	-41.38
C#CCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1C)C(=O)[O-]	REAL300017934604	0	35	-1.0	-40.14	336.79	6.24	-33.90
C#CCC[C@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300017934605	0	34	-1.0	-45.16	338.80	5.83	-39.33
C#CCC[C@H](NS(=O)(=O)C1=CN(C)C(Cl)=N1)C(=O)[O-]	REAL300017934606	0	30	-1.0	-52.63	294.82	3.91	-48.72
C#CCC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300017934607	0	33	-1.0	-55.05	326.38	5.09	-49.96
C#CCC[C@H](NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017934608	0	42	-1.0	-49.34	383.23	6.81	-42.53
C#CCC[C@H](NS(=O)(=O)C1=CC(N(C)C)=CC=C1Br)C(=O)[O-]	REAL300017934609	0	38	-1.0	-45.86	351.80	5.50	-40.36
C#CCC[C@H](NS(=O)(=O)C1=CN2N=C(C)C(Cl)=C2N=C1)C(=O)[O-]	REAL300017934610	0	35	-1.0	-45.28	337.10	4.01	-41.27
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300017934611	0	36	-1.0	-45.56	343.69	6.35	-39.21
C#CCC[C@H](NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300017934612	0	42	-1.0	-47.53	359.71	4.82	-42.71
C#CCC[C@H](NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300017934613	0	37	-1.0	-46.12	342.56	2.04	-44.08
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(F)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017934614	0	35	-1.0	-44.48	336.62	5.69	-38.79
C#CCC[C@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300017934615	0	36	-1.0	-43.18	348.52	7.20	-35.98
C#CCC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1C(=O)OC)C(=O)[O-]	REAL300017934616	0	36	-1.0	-45.44	333.36	5.91	-39.53
C#CCC[C@H](NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300017934617	0	33	-1.0	-60.00	320.30	4.25	-55.75
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300017934618	0	33	-1.0	-41.26	339.27	6.11	-35.15
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300017934619	0	38	-1.0	-49.43	347.07	2.37	-47.06
C#CCC[C@H](NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017934620	0	29	-1.0	-48.32	306.68	3.41	-44.91
C#CCC[C@H](NS(=O)(=O)C1CCCCC1C(=O)OC)C(=O)[O-]	REAL300017934621	0	42	-1.0	-64.54	347.63	5.77	-58.77
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C2(C(=O)OC)CC2)C=C1)C(=O)[O-]	REAL300017934622	0	43	-1.0	-46.51	379.66	6.94	-39.57
C#CCC[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300017934623	0	37	-1.0	-57.41	323.83	4.90	-52.51
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300017934624	0	34	-1.0	-45.65	337.75	5.73	-39.92
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300017934625	0	36	-1.0	-42.33	352.19	2.45	-39.88
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1OC)C(=O)[O-]	REAL300017934626	0	34	-1.0	-38.91	323.06	5.03	-33.88
C#CCC[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300017934627	0	39	-1.0	-45.68	346.51	8.10	-37.58
C#CCC[C@H](NS(=O)(=O)C1=C(CC)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017934628	0	39	-1.0	-43.60	359.52	4.63	-38.97
C#CCC[C@H](NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300017934629	0	47	-1.0	-60.40	391.47	5.96	-54.44
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300017934630	0	37	-1.0	-45.08	329.74	4.54	-40.54
C#CCC[C@H](NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017934631	0	50	-1.0	-45.01	399.91	5.92	-39.09
C#CCC[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300017934632	0	44	-1.0	-40.45	368.92	4.35	-36.10
C#CCC[C@H](NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300017934633	0	41	-1.0	-43.25	380.18	5.16	-38.09
C#CCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300017934634	0	38	-1.0	-42.94	349.70	6.39	-36.55
C#CCC[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300017934635	0	40	-1.0	-43.96	337.30	5.24	-38.72
C#CCC[C@H](NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300017934636	0	42	-1.0	-42.23	331.98	5.82	-36.41
C#CCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300017934637	0	39	-1.0	-48.62	344.17	5.80	-42.82
C#CCC[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300017934638	0	33	-1.0	-48.52	321.51	3.26	-45.26
C#CCC[C@H](NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300017934639	0	34	-1.0	-42.67	317.06	3.69	-38.98
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300017934640	0	41	-1.0	-43.68	346.01	5.29	-38.39
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300017934641	0	44	-1.0	-45.12	398.22	5.62	-39.50
C#CCC[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300017934642	0	39	-1.0	-43.34	332.34	6.33	-37.01
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300017934643	0	44	-1.0	-42.03	380.48	7.62	-34.41
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300017934644	0	30	-1.0	-40.09	313.37	5.17	-34.92
C#CCC[C@H](NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)=C(C)C2=C1)C(=O)[O-]	REAL300017934645	0	45	-1.0	-44.65	405.02	6.99	-37.66
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1C)C(=O)[O-]	REAL300017934646	0	42	-1.0	-45.70	371.75	6.76	-38.94
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017934647	0	30	-1.0	-48.10	315.59	5.36	-42.74
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300017934648	0	30	-1.0	-40.74	310.30	4.55	-36.19
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1F)C(=O)[O-]	REAL300017934649	0	34	-1.0	-47.77	304.56	3.29	-44.48
C#CCC[C@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934650	0	38	-1.0	-50.22	342.03	7.71	-42.51
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300017934651	0	36	-1.0	-42.51	342.34	6.11	-36.40
C#CCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300017934652	0	40	-1.0	-39.72	366.89	7.13	-32.59
C#CCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300017934653	0	38	-1.0	-46.12	350.75	2.58	-43.54
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300017934654	0	38	-1.0	-45.68	332.82	4.71	-40.97
C#CCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300017934655	0	36	-1.0	-45.76	325.89	4.79	-40.97
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017934657	0	33	-1.0	-44.60	313.50	5.18	-39.42
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017934658	0	33	-1.0	-40.15	339.37	5.90	-34.25
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017934659	0	33	-1.0	-42.69	313.81	4.99	-37.70
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300017934660	0	33	-1.0	-41.56	324.02	5.59	-35.97
C#CCC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC)C(=O)[O-]	REAL300017934661	0	41	-1.0	-42.24	333.66	2.38	-39.86
C#CCC[C@H](NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300017934662	0	34	-1.0	-46.08	318.68	5.42	-40.66
C#CCC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300017934663	0	41	-1.0	-51.16	357.05	4.65	-46.51
C#CCC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017934664	0	42	-1.0	-48.44	367.09	4.62	-43.82
C#CCC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300017934665	0	36	-1.0	-43.21	363.70	2.51	-40.70
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017934666	0	36	-1.0	-42.01	347.05	5.18	-36.83
C#CCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017934667	0	40	-1.0	-44.39	372.05	3.67	-40.72
C#CCC[C@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017934668	0	41	-1.0	-47.39	382.56	6.19	-41.20
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300017934669	0	40	-1.0	-45.34	350.04	4.80	-40.54
C#CCC[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300017934670	0	33	-1.0	-39.17	322.14	5.85	-33.32
C#CCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017934671	0	38	-1.0	-43.20	340.12	6.37	-36.83
C#CCC[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017934672	0	38	-1.0	-53.48	342.47	5.52	-47.96
C#CCC[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017934673	0	36	-1.0	-45.96	324.18	0.64	-45.32
C#CCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300017934674	0	40	-1.0	-47.55	363.83	5.28	-42.27
C#CCC[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017934675	0	35	-1.0	-44.53	331.49	4.57	-39.96
C#CCC[C@H](NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017934676	0	34	-1.0	-45.42	321.13	3.93	-41.49
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300017934677	0	40	-1.0	-43.30	343.37	5.31	-37.99
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300017934678	0	38	-1.0	-51.13	357.93	0.48	-50.65
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1C(=O)OC)C(=O)[O-]	REAL300017934679	0	39	-1.0	-50.02	349.21	6.30	-43.72
C#CCC[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017934680	0	34	-1.0	-44.01	302.38	4.34	-39.67
C#CCC[C@H](NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300017934681	0	34	-1.0	-44.27	323.77	5.38	-38.89
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OCCC)C=C1)C(=O)[O-]	REAL300017934682	0	42	-1.0	-43.11	381.36	6.78	-36.33
C#CCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)CC)C=C1)C(=O)[O-]	REAL300017934683	0	40	-1.0	-48.48	359.88	4.09	-44.39
C#CCC[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017934684	0	36	-1.0	-42.26	341.14	5.98	-36.28
C#CCC[C@H](NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300017934685	0	41	-1.0	-41.98	352.13	6.15	-35.83
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017934686	0	29	-1.0	-44.29	308.98	3.49	-40.80
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017934687	0	36	-1.0	-48.14	325.59	3.98	-44.16
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300017934688	0	35	-1.0	-48.03	319.98	4.80	-43.23
C#CCC[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017934689	0	42	-1.0	-46.49	371.27	6.20	-40.29
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017934690	0	30	-1.0	-50.02	282.90	4.08	-45.94
C#CCC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017934691	0	30	-1.0	-42.19	296.36	4.62	-37.57
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017934692	0	36	-1.0	-42.47	338.02	5.89	-36.58
C#CCC[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017934693	0	36	-1.0	-48.96	346.48	5.26	-43.70
C#CCC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300017934694	0	38	-1.0	-48.43	349.90	4.09	-44.34
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017934695	0	33	-1.0	-43.65	332.52	5.68	-37.97
C#CCC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C)C2=C1)C(=O)[O-]	REAL300017934696	0	34	-1.0	-48.14	323.33	1.33	-46.81
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017934697	0	39	-1.0	-43.85	362.87	7.16	-36.69
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300017934698	0	37	-1.0	-45.12	338.64	4.08	-41.04
C#CCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017934699	0	32	-1.0	-39.52	326.30	5.76	-33.76
C#CCC[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC(C(=O)OC)=C1)C(=O)[O-]	REAL300017934700	0	39	-1.0	-46.70	378.69	5.58	-41.12
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017934701	0	36	-1.0	-44.55	327.89	5.78	-38.77
C#CCC[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017934702	0	33	-1.0	-44.57	315.97	5.43	-39.14
C#CCC[C@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017934703	0	42	-1.0	-59.93	379.82	2.89	-57.04
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017934704	0	37	-1.0	-39.88	348.57	4.78	-35.10
C#CCC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017934705	0	30	-1.0	-41.69	318.27	5.56	-36.13
C#CCC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C)C(=O)[O-]	REAL300017934706	0	38	-1.0	-42.88	353.26	1.77	-41.11
C#CCC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300017934739	0	39	-1.0	-45.40	364.79	5.97	-39.43
C#CCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017934740	0	38	-1.0	-48.46	339.65	4.88	-43.58
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017934741	0	30	-1.0	-40.76	301.96	5.01	-35.75
C#CCC[C@H](NS(=O)(=O)C1=CC=CC=C1C(=O)N(C)CCCC)C(=O)[O-]	REAL300017934742	0	49	-1.0	-54.17	409.11	8.22	-45.95
C#CCC[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017934743	0	33	-1.0	-46.94	332.94	5.92	-41.02
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1F)C(=O)[O-]	REAL300017934745	0	37	-1.0	-54.48	346.78	3.54	-50.94
C#CCC[C@H](NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017934746	0	38	-1.0	-44.92	338.24	4.90	-40.02
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017934747	0	34	-1.0	-52.24	339.26	4.65	-47.59
C#CCC[C@H](NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300017934748	0	42	-1.0	-41.87	333.74	7.29	-34.58
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300017934749	0	42	-1.0	-43.30	368.35	3.28	-40.02
C#CCC[C@H](NS(=O)(=O)C1=CSC(C(=O)OC)=C1)C(=O)[O-]	REAL300017934750	0	33	-1.0	-45.89	328.60	4.00	-41.89
C#CCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)OC)C(=O)[O-]	REAL300017934751	0	39	-1.0	-43.95	360.54	6.73	-37.22
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017934752	0	41	-1.0	-44.33	386.73	7.67	-36.66
C#CCC[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017934753	0	36	-1.0	-48.90	350.00	5.03	-43.87
C#CCC[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017934754	0	36	-1.0	-48.62	356.81	5.72	-42.90
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1C)C(=O)[O-]	REAL300017934755	0	39	-1.0	-46.24	341.23	5.48	-40.76
C#CCC[C@H](NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017934756	0	32	-1.0	-39.98	330.83	5.61	-34.37
C#CCC[C@H](NS(=O)(=O)C1=CC(Br)=CC(F)=C1OC)C(=O)[O-]	REAL300017934757	0	34	-1.0	-42.97	337.93	5.00	-37.97
C#CCC[C@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300017934758	0	42	-1.0	-49.25	361.55	5.01	-44.24
C#CCC[C@H](NS(=O)(=O)C1CCN(C(=O)OCC)CC1)C(=O)[O-]	REAL300017934759	0	44	-1.0	-59.84	372.54	4.03	-55.81
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300017934760	0	39	-1.0	-51.10	359.98	3.42	-47.68
C#CCC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017934761	0	29	-1.0	-39.13	308.40	3.40	-35.73
C#CCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017934762	0	33	-1.0	-49.79	311.08	4.72	-45.07
C#CCC[C@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300017934763	0	33	-1.0	-44.56	307.37	2.97	-41.59
C#CCC[C@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017934764	0	38	-1.0	-46.46	337.28	4.98	-41.48
C#CCC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1Cl)C(=O)[O-]	REAL300017934765	0	34	-1.0	-45.33	326.45	4.24	-41.09
C#CCC[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21)C(=O)[O-]	REAL300017934766	0	39	-1.0	-50.33	366.55	6.71	-43.62
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C=C1)C(=O)[O-]	REAL300017934767	0	39	-1.0	-47.34	360.18	5.83	-41.51
C#CCC[C@H](NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017934768	0	37	-1.0	-55.75	324.35	6.01	-49.74
C#CCC[C@H](NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300017934769	0	40	-1.0	-47.80	363.29	6.11	-41.69
C#CCC[C@H](NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017934770	0	48	-1.0	-50.88	417.81	6.31	-44.57
C#CCC[C@H](NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017934771	0	48	-1.0	-41.63	417.82	6.37	-35.26
C#CCC[C@H](NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017934772	0	45	-1.0	-44.80	400.26	5.43	-39.37
C#CCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300017934773	0	32	-1.0	-40.71	319.45	4.66	-36.05
C#CCC[C@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017934774	0	41	-1.0	-61.93	362.40	5.39	-56.54
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017934775	0	30	-1.0	-44.31	315.16	5.54	-38.77
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017934776	0	30	-1.0	-40.06	317.46	5.40	-34.66
C#CCC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300017934777	0	40	-1.0	-48.53	342.27	5.91	-42.62
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(C)=C1)C(=O)[O-]	REAL300017934778	0	34	-1.0	-40.22	321.29	5.20	-35.02
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300017934779	0	36	-1.0	-45.44	340.65	5.00	-40.44
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300017934780	0	34	-1.0	-40.99	310.41	4.97	-36.02
C#CCC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1C)C(=O)[O-]	REAL300017934781	0	37	-1.0	-44.10	321.90	4.41	-39.69
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017934782	0	31	-1.0	-40.79	324.07	5.25	-35.54
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300017934783	0	37	-1.0	-42.87	341.00	4.89	-37.98
C#CCC[C@H](NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300017934784	0	36	-1.0	-37.40	349.14	4.79	-32.61
C#CCC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(F)=C1)C(=O)[O-]	REAL300017934785	0	37	-1.0	-45.91	342.22	3.33	-42.58
C#CCC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300017934786	0	38	-1.0	-43.63	349.81	3.99	-39.64
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017934787	0	34	-1.0	-46.17	329.06	4.01	-42.16
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017934788	0	33	-1.0	-39.06	325.65	5.37	-33.69
C#CCC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300017934789	0	41	-1.0	-44.18	373.18	1.29	-42.89
C#CCC[C@H](NS(=O)(=O)C1=CC=C2SC(C(=O)OCC)=CC2=C1)C(=O)[O-]	REAL300017934790	0	42	-1.0	-44.62	398.20	7.43	-37.19
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300017934791	0	34	-1.0	-45.26	323.58	5.47	-39.79
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300017934792	0	34	-1.0	-44.91	329.80	4.38	-40.53
C#CCC[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017934793	0	35	-1.0	-55.36	338.11	-0.06	-55.42
C#CCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300017934794	0	36	-1.0	-43.25	322.09	3.86	-39.39
C#CCC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300017934795	0	36	-1.0	-48.28	332.96	5.47	-42.81
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017934796	0	30	-1.0	-41.83	313.70	5.44	-36.39
C#CCC[C@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300017934797	0	36	-1.0	-41.66	317.05	6.01	-35.65
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017934798	0	30	-1.0	-40.16	314.79	5.61	-34.55
C#CCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300017934799	0	40	-1.0	-43.53	344.32	1.68	-41.85
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017934800	0	31	-1.0	-47.61	294.78	2.72	-44.89
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017934801	0	30	-1.0	-46.66	297.21	4.63	-42.03
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300017934802	0	40	-1.0	-47.40	365.67	5.08	-42.32
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017934803	0	34	-1.0	-46.24	332.58	1.60	-44.64
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300017934804	0	37	-1.0	-45.07	332.67	4.54	-40.53
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300017934805	0	41	-1.0	-50.17	360.45	5.56	-44.61
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300017934844	0	31	-1.0	-48.55	317.01	5.10	-43.45
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1)C(=O)[O-]	REAL300017934846	0	44	-1.0	-52.49	383.24	4.11	-48.38
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300017934847	0	38	-1.0	-45.05	357.36	5.49	-39.56
C#CCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017934848	0	35	-1.0	-41.15	327.79	5.55	-35.60
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OCC)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017934849	0	44	-1.0	-40.88	396.21	6.93	-33.95
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300017934850	0	33	-1.0	-44.59	321.75	5.75	-38.84
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017934851	0	33	-1.0	-46.62	323.11	3.13	-43.49
C#CCC[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300017934852	0	41	-1.0	-54.60	371.32	5.13	-49.47
C#CCC[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300017934853	0	32	-1.0	-45.89	313.33	3.81	-42.08
C#CCC[C@H](NS(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1)C(=O)[O-]	REAL300017934854	0	40	-1.0	-55.77	361.47	5.05	-50.72
C#CCC[C@H](NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300017934855	0	31	-1.0	-47.73	298.89	2.55	-45.18
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017934856	0	40	-1.0	-57.95	358.49	4.15	-53.80
C#CCC[C@H](NS(=O)(=O)CCCC(F)(F)F)C(=O)[O-]	REAL300017934857	0	32	-1.0	-39.02	303.80	3.91	-35.11
C#CCC[C@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300017934858	0	35	-1.0	-46.11	325.93	4.32	-41.79
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2)C(=O)[O-]	REAL300017934859	0	36	-1.0	-47.59	330.48	1.94	-45.65
C#CCC[C@H](NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300017934860	0	42	-1.0	-47.11	357.80	4.91	-42.20
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300017934861	0	32	-1.0	-43.03	319.08	3.68	-39.35
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1Cl)C(=O)[O-]	REAL300017934862	0	33	-1.0	-45.24	318.39	5.59	-39.65
C#CCC[C@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300017934863	0	38	-1.0	-51.46	336.78	4.89	-46.57
C#CCC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(C)=C1)C(=O)[O-]	REAL300017934864	0	32	-1.0	-42.26	314.25	3.58	-38.68
C#CCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300017934865	0	36	-1.0	-44.11	332.71	3.38	-40.73
C#CCC[C@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017934866	0	29	-1.0	-40.29	304.76	4.12	-36.17
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017934867	0	39	-1.0	-44.68	356.22	6.03	-38.65
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1C#N)C(=O)[O-]	REAL300017934868	0	34	-1.0	-50.40	321.06	5.17	-45.23
C#CCC[C@H](NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300017934869	0	38	-1.0	-48.68	342.57	2.96	-45.72
C#CCC[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300017934870	0	31	-1.0	-40.98	316.39	5.33	-35.65
C#CCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300017934871	0	36	-1.0	-52.78	331.85	5.71	-47.07
C#CCC[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300017934872	0	38	-1.0	-53.12	336.02	6.22	-46.90
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300017934873	0	42	-1.0	-44.85	358.48	6.88	-37.97
C#CCC[C@H](NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300017934874	0	38	-1.0	-41.02	338.65	6.61	-34.41
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C)=C1Cl)C(=O)[O-]	REAL300017934875	0	33	-1.0	-44.54	314.97	5.50	-39.04
C#CCC[C@H](NS(=O)(=O)C1=C(C)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017934876	0	36	-1.0	-43.53	337.48	3.74	-39.79
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300017934877	0	33	-1.0	-45.11	317.23	4.77	-40.34
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300017934878	0	31	-1.0	-42.10	306.05	2.23	-39.87
C#CCC[C@H](NS(=O)(=O)C1=CN=C(CC)S1)C(=O)[O-]	REAL300017934879	0	32	-1.0	-43.44	313.59	2.95	-40.49
C#CCC[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300017934880	0	36	-1.0	-49.44	328.89	6.21	-43.23
C#CCC[C@H](NS(=O)(=O)C1=CSN=C1C(=O)OC)C(=O)[O-]	REAL300017934881	0	32	-1.0	-47.08	310.49	3.01	-44.07
C#CCC[C@H](NS(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017934882	1	32	-1.0	-48.29	323.40	2.16	-46.13
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300017934883	0	36	-1.0	-42.78	330.62	5.69	-37.09
C#CCC[C@H](NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300017934884	0	38	-1.0	-56.06	340.91	2.77	-53.29
C#CCC[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-]	REAL300017934885	0	41	-1.0	-44.86	347.18	2.47	-42.39
C#CCC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300017934886	0	37	-1.0	-48.08	344.75	4.45	-43.63
C#CCC[C@H](NS(=O)(=O)C1=CN=CC(Cl)=C1)C(=O)[O-]	REAL300017934887	0	29	-1.0	-42.01	295.32	3.06	-38.95
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300017934888	0	41	-1.0	-44.46	366.19	6.20	-38.26
C#CCC[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017934889	0	33	-1.0	-44.61	328.05	5.59	-39.02
C#CCC[C@H](NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017934890	0	33	-1.0	-40.77	328.41	5.59	-35.18
C#CCC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017934891	0	30	-1.0	-45.48	296.21	5.06	-40.42
C#CCC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300017934892	0	33	-1.0	-42.65	324.45	2.33	-40.32
C#CCC[C@H](NS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300017934893	0	34	-1.0	-44.50	328.90	5.41	-39.09
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)N=C1)C(=O)[O-]	REAL300017934894	0	35	-1.0	-43.20	332.06	3.16	-40.04
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017934895	0	29	-1.0	-44.15	298.81	3.71	-40.44
C#CCC[C@H](NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300017934896	0	37	-1.0	-44.19	338.30	4.12	-40.07
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300017934897	0	35	-1.0	-40.86	316.11	4.54	-36.32
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017934898	0	36	-1.0	-42.71	352.84	5.48	-37.23
C#CCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C(=O)[O-]	REAL300017934899	0	33	-1.0	-41.89	328.65	2.42	-39.47
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300017934900	0	36	-1.0	-44.86	332.61	1.99	-42.87
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017934901	0	39	-1.0	-54.42	366.36	2.52	-51.90
C#CCC[C@H](NS(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1)C(=O)[O-]	REAL300017934902	0	37	-1.0	-49.84	345.60	3.36	-46.48
C#CCC[C@H](NS(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1)C(=O)[O-]	REAL300017934903	0	44	-1.0	-59.84	376.53	5.99	-53.85
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300017934904	0	33	-1.0	-44.65	292.65	2.94	-41.71
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300017934905	0	36	-1.0	-39.28	331.31	6.10	-33.18
C#CCC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300017934906	0	40	-1.0	-47.53	354.39	1.96	-45.57
C#CCC[C@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300017934907	0	47	-1.0	-47.68	393.10	6.23	-41.45
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017934908	0	39	-1.0	-45.98	368.52	5.82	-40.16
C#CCC[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300017934909	0	39	-1.0	-43.66	355.80	6.86	-36.80
C#CCC[C@H](NS(=O)(=O)C1=CSC2=CC=CC=C21)C(=O)[O-]	REAL300017934910	0	33	-1.0	-46.40	320.46	5.71	-40.69
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017934911	0	33	-1.0	-40.26	317.54	6.18	-34.08
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1)C(=O)[O-]	REAL300017934912	0	44	-1.0	-51.01	392.87	2.51	-48.50
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1OC)C(=O)[O-]	REAL300017934913	0	43	-1.0	-44.70	371.89	5.72	-38.98
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300017934914	0	42	-1.0	-44.50	376.28	6.46	-38.04
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(CC(=O)OCC)=C1)C(=O)[O-]	REAL300017934915	0	42	-1.0	-47.84	382.40	6.72	-41.12
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC)C(=O)[O-]	REAL300017934916	0	41	-1.0	-50.47	377.88	4.15	-46.32
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OCC)=C(C)C=C1F)C(=O)[O-]	REAL300017934917	0	42	-1.0	-43.63	367.69	6.11	-37.52
C#CCC[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017934918	0	36	-1.0	-42.73	344.14	6.33	-36.40
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1F)C(=O)[O-]	REAL300017934919	0	39	-1.0	-44.86	351.67	5.57	-39.29
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017934920	0	40	-1.0	-46.04	355.52	7.73	-38.31
C#CCC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC)C=C1)C(=O)[O-]	REAL300017934921	0	44	-1.0	-48.22	400.47	2.11	-46.11
C#CCC[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017934922	0	33	-1.0	-44.36	319.18	5.56	-38.80
C#CCC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)C(=O)OCC)=C1)C(=O)[O-]	REAL300017934923	0	42	-1.0	-45.79	383.34	5.53	-40.26
C#CCC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017934924	0	34	-1.0	-44.43	328.18	5.19	-39.24
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017934925	0	33	-1.0	-45.38	315.77	5.23	-40.15
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300017934926	0	32	-1.0	-42.21	306.81	3.76	-38.45
C#CCC[C@H](NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017934927	0	33	-1.0	-51.16	316.16	4.49	-46.67
C#CCC[C@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017934928	0	31	-1.0	-40.80	306.95	3.22	-37.58
C#CCC[C@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	REAL300017934929	0	38	-1.0	-46.92	327.73	4.20	-42.72
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C(=O)[O-]	REAL300017934930	0	43	-1.0	-42.78	375.27	5.18	-37.60
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300017934931	0	36	-1.0	-47.75	329.80	4.66	-43.09
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300017934932	0	41	-1.0	-51.49	366.16	3.89	-47.60
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300017934933	0	45	-1.0	-44.05	394.26	7.14	-36.91
C#CCC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300017934934	0	42	-1.0	-53.09	387.24	3.57	-49.52
C#CCC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-]	REAL300017934935	0	42	-1.0	-42.84	352.68	5.35	-37.49
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300017934936	0	37	-1.0	-42.50	355.38	4.59	-37.91
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300017934937	0	36	-1.0	-40.49	335.76	5.82	-34.67
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300017934938	0	41	-1.0	-44.01	388.99	7.73	-36.28
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300017934939	0	39	-1.0	-46.89	358.27	5.75	-41.14
C#CCC[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300017934940	0	36	-1.0	-44.93	343.59	6.26	-38.67
C#CCC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	REAL300017934941	0	39	-1.0	-43.41	343.25	4.71	-38.70
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300017934942	0	30	-1.0	-39.64	313.90	4.52	-35.12
C#CCC[C@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300017934943	0	43	-1.0	-45.71	391.17	4.68	-41.03
C#CCC[C@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300017934944	0	46	-1.0	-46.43	415.29	5.65	-40.78
C#CCC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCCCC1)C(=O)[O-]	REAL300017934945	0	45	-1.0	-43.94	369.12	5.82	-38.12
C#CCC[C@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017934946	0	38	-1.0	-48.65	353.17	5.36	-43.29
C#CCC[C@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934947	1	32	-1.0	-50.80	304.54	3.10	-47.70
C#CCC[C@H](NS(=O)(=O)C1=CNC2=CC=CC=C21)C(=O)[O-]	REAL300017934948	0	34	-1.0	-48.85	302.30	3.81	-45.04
C#CCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300017934949	0	43	-1.0	-52.88	383.44	8.20	-44.68
C#CCC[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017934950	0	33	-1.0	-44.11	337.45	6.03	-38.08
C#CCC[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300017934951	0	33	-1.0	-44.61	328.32	5.64	-38.97
C#CCC[C@H](NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300017934952	0	34	-1.0	-47.82	329.79	4.54	-43.28
C#CCC[C@H](NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300017934953	0	40	-1.0	-41.56	356.71	6.63	-34.93
C#CCC[C@H](NS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300017934954	0	42	-1.0	-40.91	343.10	5.72	-35.19
C#CCC[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017934955	0	34	-1.0	-45.82	329.73	5.98	-39.84
C#CCC[C@H](NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300017934956	0	39	-1.0	-42.59	348.90	6.60	-35.99
C#CCC[C@H](NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300017934958	0	34	-1.0	-45.52	322.51	-0.07	-45.59
C#CCC[C@H](NS(=O)(=O)C1=CC=CC=C1CCC)C(=O)[O-]	REAL300017934962	0	39	-1.0	-43.11	334.46	6.87	-36.24
C#CCC[C@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300017934963	0	39	-1.0	-47.19	340.94	4.99	-42.20
C#CCC[C@H](NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300017934964	0	30	-1.0	-43.19	291.27	4.48	-38.71
C#CCC[C@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017934965	0	36	-1.0	-42.26	330.49	5.84	-36.42
C#CCC[C@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300017934966	0	46	-1.0	-47.85	394.71	7.11	-40.74
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300017934967	0	35	-1.0	-49.33	319.54	4.89	-44.44
C#CCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300017934968	0	50	-1.0	-56.81	407.87	6.75	-50.06
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300017934969	0	37	-1.0	-50.62	344.64	4.58	-46.04
C#CCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300017934970	0	44	-1.0	-44.09	379.15	4.45	-39.64
C#CCC[C@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300017934971	0	45	-1.0	-57.87	392.01	6.97	-50.90
C#CCC[C@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)CC)C2=C1)C(=O)[O-]	REAL300017934972	0	44	-1.0	-60.28	382.15	6.26	-54.02
C#CCC[C@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300017934973	0	37	-1.0	-48.56	333.48	4.05	-44.51
C#CCC[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300017934974	0	37	-1.0	-44.77	325.66	4.07	-40.70
C#CCC[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300017934975	0	40	-1.0	-44.50	345.73	5.13	-39.37
C#CCC[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300017934983	0	36	-1.0	-47.41	350.41	5.27	-42.14
C#CCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300017934984	0	36	-1.0	-45.04	334.30	1.59	-43.45
C#CCC[C@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017934985	1	27	-1.0	-43.29	281.98	3.06	-40.23
C#CCC[C@H](NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300017934986	0	37	-1.0	-54.97	322.13	4.09	-50.88
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1)C(=O)[O-]	REAL300017934987	0	34	-1.0	-42.79	329.45	3.89	-38.90
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=C(OC)C=C1F)C(=O)[O-]	REAL300017934988	0	34	-1.0	-42.92	312.29	3.39	-39.53
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCCCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300017934989	0	55	-1.0	-44.46	455.79	8.92	-35.54
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300017934990	0	46	-1.0	-45.23	382.48	6.36	-38.87
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300017934991	0	40	-1.0	-43.15	344.48	5.85	-37.30
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCCOCC)C(C(C)C)=C1)C(=O)[O-]	REAL300017934992	0	53	-1.0	-49.32	449.03	6.84	-42.48
C#CCC[C@H](NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300017934993	0	33	-1.0	-42.27	304.31	4.93	-37.34
C#CCC[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300017934994	0	38	-1.0	-49.49	339.90	4.93	-44.56
C#CCC[C@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300017934995	0	38	-1.0	-44.75	352.25	4.03	-40.72
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300017934996	0	38	-1.0	-43.79	349.55	6.53	-37.26
C#CCC[C@H](NS(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300017934997	0	34	-1.0	-46.15	319.63	5.00	-41.15
C#CCC[C@H](NS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300017934998	0	33	-1.0	-42.75	324.92	5.71	-37.04
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br)C(=O)[O-]	REAL300017934999	0	33	-1.0	-44.00	328.70	6.38	-37.62
C#CCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300017935000	0	47	-1.0	-59.36	392.23	6.41	-52.95
CC1=CC=C(CS(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1F	REAL300017941733	0	35	-1.0	-48.94	315.16	5.12	-43.82
CC1=C(Br)C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017941734	0	34	-1.0	-51.61	329.23	5.47	-46.14
COC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC(F)=C1F	REAL300017941735	0	35	-1.0	-48.51	330.09	4.40	-44.11
CC(C)(ONS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300017941736	0	41	-1.0	-51.45	348.85	5.11	-46.34
CC(C)(ONS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300017941737	0	47	-1.0	-47.55	351.51	5.36	-42.19
CC1=NC2=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=CC=C2C=C1	REAL300017941738	0	37	-1.0	-56.38	325.98	4.87	-51.51
CC(C)(ONS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941739	0	37	-1.0	-61.88	329.60	5.59	-56.29
CC(C)(ONS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300017941740	0	40	-1.0	-52.45	341.63	2.21	-50.24
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941741	0	43	-1.0	-52.69	386.48	4.76	-47.93
CC(C)(ONS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017941742	0	30	-1.0	-47.16	307.21	4.59	-42.57
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1Cl	REAL300017941743	0	32	-1.0	-47.59	299.95	4.76	-42.83
CC(C)(ONS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300017941744	0	35	-1.0	-62.00	312.59	4.65	-57.35
CC1=CSC(C2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C2)=N1	REAL300017941745	0	38	-1.0	-52.42	350.72	5.13	-47.29
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1F	REAL300017941746	1	35	-1.0	-58.82	336.36	4.80	-54.02
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941747	0	38	-1.0	-52.32	341.81	4.96	-47.36
CC1=C(Br)C=CC=C1CS(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941748	0	35	-1.0	-48.46	320.87	5.58	-42.88
CC(C)(ONS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017941749	0	32	-1.0	-48.96	308.30	4.93	-44.03
CC(C)(ONS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300017941750	0	29	-1.0	-46.16	302.50	4.80	-41.36
CC1=CC(C(N)=O)=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941751	0	36	-1.0	-63.01	320.41	1.10	-61.91
CCCCCCCCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941752	0	54	-1.0	-49.87	444.83	8.59	-41.28
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941753	0	44	-1.0	-53.33	374.34	6.01	-47.32
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941754	0	39	-1.0	-50.68	357.46	5.77	-44.91
CC(C)(ONS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017941755	0	35	-1.0	-49.80	316.35	5.26	-44.54
CC(C)(ONS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300017941756	0	35	-1.0	-53.75	315.50	5.23	-48.52
CC(C)(ONS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017941757	0	35	-1.0	-52.39	322.62	5.57	-46.82
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941758	0	33	-1.0	-43.72	316.04	4.64	-39.08
COC1=CC2=C(C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-])C(=O)NCCC2	REAL300017941759	0	44	-1.0	-52.11	365.11	3.05	-49.06
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])S2)C1	REAL300017941760	0	40	-1.0	-55.61	354.30	4.10	-51.51
CC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017941761	0	36	-1.0	-52.12	338.20	6.26	-45.86
CC(C)(ONS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300017941762	1	33	-1.0	-52.24	317.46	1.09	-51.15
CC(C)(ONS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017941763	0	32	-1.0	-48.72	311.55	5.05	-43.67
CCC(C)OC1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941764	0	42	-1.0	-49.26	354.50	5.32	-43.94
CC(C)(ONS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1)C(=O)[O-]	REAL300017941765	0	36	-1.0	-51.56	329.76	5.39	-46.17
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C2)=N1	REAL300017941766	0	41	-1.0	-47.68	348.47	3.36	-44.32
COC1=CC(F)=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941767	0	33	-1.0	-46.86	295.42	4.03	-42.83
COC(=O)C1=C(C)C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])O1	REAL300017941768	1	35	-1.0	-53.88	321.91	3.04	-50.84
CCC1=NC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CN1CC1CC1	REAL300017941769	0	42	-1.0	-61.45	358.53	5.46	-55.99
CC(=O)N1CC2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C2C1	REAL300017941770	0	40	-1.0	-53.36	349.48	4.23	-49.13
CC(C)(ONS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300017941771	0	32	-1.0	-48.83	304.22	3.16	-45.67
CC(C)(ONS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300017941772	0	32	-1.0	-60.92	313.94	3.47	-57.45
CCCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300017941773	0	48	-1.0	-50.46	395.94	6.71	-43.75
CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017941774	0	37	-1.0	-54.27	319.16	5.81	-48.46
CN1N=CC(C2CC2)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941775	0	36	-1.0	-48.23	311.03	3.56	-44.67
CC(C)(ONS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300017941776	0	42	-1.0	-46.71	354.74	5.64	-41.07
CC(C)(ONS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300017941777	0	43	-1.0	-48.76	381.95	7.01	-41.75
COC(CS(=O)(=O)NOC(C)(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300017941778	0	39	-1.0	-48.60	346.49	4.81	-43.79
CC(C)(ONS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300017941779	0	41	-1.0	-52.90	348.54	5.12	-47.78
COC(=O)NC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1Cl	REAL300017941780	0	37	-1.0	-51.74	346.38	2.56	-49.18
COC(=O)C1=CC=CC2=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=CC=C12	REAL300017941781	0	41	-1.0	-47.75	349.64	6.35	-41.40
COC(=O)NC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C	REAL300017941782	0	40	-1.0	-55.53	349.18	2.75	-52.78
CC(C)(ONS(=O)(=O)CC1(C(F)F)CCCC1)C(=O)[O-]	REAL300017941783	0	38	-1.0	-48.96	313.90	4.88	-44.08
CCOC1(CS(=O)(=O)NOC(C)(C)C(=O)[O-])CCOCC1	REAL300017941784	0	43	-1.0	-49.37	342.27	2.43	-46.94
COC(=O)C1=CC(F)=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1F	REAL300017941785	1	35	-1.0	-58.71	326.04	4.36	-54.35
CC(=O)N1CCC2=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C(Cl)C=C21	REAL300017941786	0	40	-1.0	-63.21	351.43	5.22	-57.99
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941787	0	32	-1.0	-48.49	305.07	2.34	-46.15
CC(C)(ONS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017941788	0	40	-1.0	-48.85	365.06	7.76	-41.09
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941789	0	32	-1.0	-41.56	297.57	4.92	-36.64
CC1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1Br	REAL300017941790	0	32	-1.0	-49.18	289.58	4.69	-44.49
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941791	0	35	-1.0	-51.48	321.71	4.85	-46.63
CC(C)(ONS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300017941792	0	37	-1.0	-48.74	322.52	1.41	-47.33
COC1=CC(Br)=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941793	0	33	-1.0	-49.01	315.27	3.58	-45.43
COC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017941794	0	35	-1.0	-49.42	320.00	4.40	-45.02
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941795	0	35	-1.0	-43.13	309.57	5.27	-37.86
COCCN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=N1	REAL300017941796	0	36	-1.0	-53.20	324.23	1.29	-51.91
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941797	0	42	-1.0	-47.73	355.58	5.16	-42.57
CC(C)(ONS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300017941798	0	36	-1.0	-55.54	328.85	4.20	-51.34
CCCCCCCCN1N=C(C)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1C	REAL300017941799	0	56	-1.0	-52.72	451.80	8.28	-44.44
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1F	REAL300017941800	0	43	-1.0	-49.67	375.54	1.59	-48.08
CC(C)(ONS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300017941801	0	37	-1.0	-52.61	338.15	5.87	-46.74
CC(C)(ONS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300017941802	0	29	-1.0	-44.91	291.48	4.32	-40.59
CC(C)(ONS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300017941803	0	32	-1.0	-52.46	300.16	4.52	-47.94
CC(C)(ONS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300017941804	0	36	-1.0	-59.12	329.10	1.53	-57.59
CCN1C(=O)OC2=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C21	REAL300017941805	0	38	-1.0	-57.67	340.41	4.62	-53.05
CC1=C(Br)C=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941806	0	32	-1.0	-47.67	288.62	4.76	-42.91
COCC1=CC=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941807	0	36	-1.0	-49.67	310.59	3.57	-46.10
COC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1Br	REAL300017941808	0	33	-1.0	-47.79	314.39	3.63	-44.16
CC(C)(ONS(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017941809	0	32	-1.0	-52.10	327.88	0.69	-51.41
CC(C)(ONS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300017941810	0	32	-1.0	-50.99	308.43	2.73	-48.26
CC(C)(ONS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300017941811	0	40	-1.0	-49.91	341.92	4.92	-44.99
CC(C)(ONS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017941812	0	37	-1.0	-50.83	343.43	0.43	-50.40
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(OC)=C1	REAL300017941813	0	44	-1.0	-51.96	383.81	1.60	-50.36
CC(C)(C)C(=O)NCCC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])S1	REAL300017941814	0	48	-1.0	-56.62	419.32	4.64	-51.98
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1F	REAL300017941815	0	43	-1.0	-50.00	386.39	2.11	-47.89
CC(C)(ONS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300017941816	0	44	-1.0	-67.08	365.95	5.32	-61.76
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1F	REAL300017941817	0	40	-1.0	-49.97	364.89	1.33	-48.64
CCC(=O)NCC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1OC	REAL300017941818	0	46	-1.0	-58.23	395.39	2.82	-55.41
CCC1=CC=C(CS(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941819	0	38	-1.0	-50.13	331.32	5.86	-44.27
COC1=CC=C(Br)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941820	0	33	-1.0	-47.72	300.84	3.43	-44.29
CC(C)(ONS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300017941821	0	44	-1.0	-55.31	378.22	4.10	-51.21
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941822	0	38	-1.0	-55.11	346.64	2.08	-53.03
CC(C)(ONS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300017941823	0	31	-1.0	-48.26	312.75	3.57	-44.69
CC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1Br	REAL300017941824	0	34	-1.0	-49.24	321.25	4.68	-44.56
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941825	0	34	-1.0	-51.88	312.01	4.50	-47.38
CC(C)(ONS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300017941826	0	30	-1.0	-46.79	306.58	4.67	-42.12
CCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1Br	REAL300017941827	0	36	-1.0	-47.10	336.24	4.56	-42.54
CC(C)(ONS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017941828	0	43	-1.0	-52.88	381.93	3.13	-49.75
CC(C)(ONS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017941829	0	32	-1.0	-53.65	299.07	4.47	-49.18
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941830	0	42	-1.0	-51.16	375.37	5.26	-45.90
CC(C)(ONS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300017941831	1	29	-1.0	-45.44	298.06	5.18	-40.26
COC1=C(C)C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C	REAL300017941832	0	39	-1.0	-50.36	338.06	4.55	-45.81
CC(C)CCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941833	0	45	-1.0	-49.81	376.40	5.99	-43.82
CC(C)(ONS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300017941834	0	43	-1.0	-48.81	359.12	5.88	-42.93
CC(C)COC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941835	0	42	-1.0	-50.07	357.44	5.38	-44.69
CCCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941836	0	39	-1.0	-50.00	337.34	4.69	-45.31
COC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1Cl	REAL300017941837	0	33	-1.0	-47.45	309.99	3.52	-43.93
CC(C)(ONS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017941838	0	33	-1.0	-49.86	319.75	3.79	-46.07
COC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C	REAL300017941839	0	36	-1.0	-49.58	314.04	3.70	-45.88
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1OC(C)C	REAL300017941840	0	42	-1.0	-49.49	353.82	5.25	-44.24
COC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C)=C1	REAL300017941841	0	36	-1.0	-47.85	299.96	3.55	-44.30
COCCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941842	0	40	-1.0	-53.28	349.46	3.16	-50.12
COCCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C	REAL300017941843	0	43	-1.0	-53.37	369.53	3.90	-49.47
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941844	0	40	-1.0	-52.83	355.22	3.33	-49.50
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300017941845	0	44	-1.0	-51.09	369.15	3.10	-47.99
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941846	0	39	-1.0	-53.78	336.28	3.51	-50.27
CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(Br)=C1	REAL300017941847	0	32	-1.0	-48.71	292.78	4.78	-43.93
CC(C)(ONS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300017941848	0	35	-1.0	-54.53	331.55	1.62	-52.91
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941849	0	35	-1.0	-51.03	325.33	5.42	-45.61
CC(C)(ONS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300017941850	0	30	-1.0	-45.69	300.68	4.46	-41.23
CC1=CC(Br)=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941851	0	32	-1.0	-44.37	291.80	4.86	-39.51
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1C	REAL300017941852	0	37	-1.0	-49.90	318.09	6.51	-43.39
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941853	0	35	-1.0	-48.22	325.53	4.74	-43.48
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941854	0	38	-1.0	-52.23	331.22	1.77	-50.46
CC(C)(ONS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300017941855	0	33	-1.0	-46.38	306.66	5.20	-41.18
CC(C)(ONS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300017941856	0	30	-1.0	-45.56	300.70	4.46	-41.10
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941857	0	45	-1.0	-51.44	376.70	5.43	-46.01
CC(C)(ONS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300017941858	0	41	-1.0	-53.70	373.50	1.51	-52.19
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941859	0	37	-1.0	-54.40	341.08	-0.17	-54.57
CC(=O)NCCC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])S1	REAL300017941860	0	39	-1.0	-57.41	360.57	2.59	-54.82
COC(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])O1	REAL300017941861	1	32	-1.0	-53.56	304.02	2.46	-51.10
CC(C)(ONS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300017941863	0	32	-1.0	-47.93	321.90	5.43	-42.50
CCOC(=O)C1=C(C)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C(C)N1	REAL300017941864	0	42	-1.0	-47.31	360.48	4.34	-42.97
CC(C)(ONS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017941865	1	29	-1.0	-49.79	284.11	4.60	-45.19
CC1=NC(C2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])S2)=CS1	REAL300017941866	0	35	-1.0	-51.37	343.92	4.22	-47.15
CC(C)(ONS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300017941867	0	49	-1.0	-48.78	399.05	7.28	-41.50
CC(C)(ONS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300017941868	0	39	-1.0	-51.37	361.73	3.24	-48.13
COC(=O)C1=CC=C(C)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941869	0	38	-1.0	-46.37	325.21	4.91	-41.46
CC(C)(ONS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941870	0	31	-1.0	-47.66	298.58	5.47	-42.19
COC1=CC(F)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1OC	REAL300017941871	0	37	-1.0	-52.39	325.46	2.90	-49.49
COC1=CC(C)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1OC	REAL300017941872	0	40	-1.0	-46.78	329.25	3.45	-43.33
CC1=CC2=CC=CN=C2C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941874	0	37	-1.0	-55.85	322.05	5.30	-50.55
CC(C)(ONS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300017941875	0	32	-1.0	-58.41	303.98	4.57	-53.84
CN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(N)=O	REAL300017941876	0	34	-1.0	-52.49	306.48	-0.16	-52.65
CC1=CC(Cl)=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941877	0	32	-1.0	-44.44	287.24	4.76	-39.68
CCOC(=O)C1CCCN1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941878	0	40	-1.0	-52.53	337.63	3.71	-48.82
CNC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CN1C	REAL300017941879	0	37	-1.0	-52.87	328.42	1.33	-51.54
COC1=CC(C)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C)=C1	REAL300017941880	0	39	-1.0	-49.88	322.70	4.62	-45.26
CC(C)(ONS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2)C(=O)[O-]	REAL300017941881	0	37	-1.0	-50.00	330.62	3.27	-46.73
COC(=O)C1=CC=C(CS(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941882	0	38	-1.0	-51.03	343.25	5.08	-45.95
COC(=O)C1CCN(S(=O)(=O)NOC(C)(C)C(=O)[O-])CC1	REAL300017941883	0	40	-1.0	-52.44	337.67	3.49	-48.95
CC(C)(ONS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1)C(=O)[O-]	REAL300017941884	0	40	-1.0	-50.80	339.95	3.79	-47.01
COC(=O)C1=CC=CC(CS(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941885	0	38	-1.0	-57.76	343.25	5.07	-52.69
CCOC(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])O1	REAL300017941886	1	35	-1.0	-53.72	325.88	3.39	-50.33
COC(=O)CCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941887	0	42	-1.0	-51.92	371.30	4.73	-47.19
COC1=CC(C)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C	REAL300017941888	0	39	-1.0	-46.35	320.11	4.29	-42.06
CC(C)(ONS(=O)(=O)C1=CC=C2COC(=O)C2=C1)C(=O)[O-]	REAL300017941889	0	33	-1.0	-62.87	302.85	4.03	-58.84
CC(C)(ONS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017941890	1	32	-1.0	-49.94	302.25	5.64	-44.30
CC(C)(ONS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941891	0	31	-1.0	-47.54	303.14	5.58	-41.96
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941892	0	34	-1.0	-50.77	300.48	5.99	-44.78
CC(C)(ONS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300017941893	0	31	-1.0	-46.11	299.48	4.79	-41.32
CC(C)(ONS(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017941894	1	26	-1.0	-47.51	276.78	3.21	-44.30
CC(C)(ONS(=O)(=O)C1=CC=CC2=C1COC2=O)C(=O)[O-]	REAL300017941895	0	33	-1.0	-51.94	294.09	3.87	-48.07
CC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300017941896	0	37	-1.0	-52.13	314.44	5.05	-47.08
CC(C)(ONS(=O)(=O)CC1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300017941897	0	31	-1.0	-49.06	300.15	3.05	-46.01
CC(C)(ONS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2)C(=O)[O-]	REAL300017941898	0	37	-1.0	-55.94	326.51	2.87	-53.07
CC(C)(ONS(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017941899	1	28	-1.0	-47.00	287.42	2.84	-44.16
CC(C)(ONS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300017941900	0	31	-1.0	-51.78	294.93	4.35	-47.43
CC(C)(ONS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017941901	0	31	-1.0	-45.49	308.88	4.79	-40.70
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941902	0	38	-1.0	-55.64	344.69	2.12	-53.52
CCN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017941903	1	34	-1.0	-64.90	307.62	4.52	-60.38
CC(C)(ONS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941904	1	31	-1.0	-50.85	296.72	4.96	-45.89
CC(C)(ONS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017941905	0	31	-1.0	-45.26	299.10	4.40	-40.86
CC(C)(ONS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300017941906	0	36	-1.0	-49.09	335.40	4.35	-44.74
CC(C)(ONS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941907	1	31	-1.0	-49.36	303.09	5.59	-43.77
CC(C)(ONS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017941908	0	43	-1.0	-50.20	375.73	6.94	-43.26
CC(C)(ONS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017941909	0	37	-1.0	-64.08	340.26	0.39	-63.69
CCC(=O)C1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941910	0	37	-1.0	-52.50	327.56	4.93	-47.57
CCOC(=O)N1CCN(S(=O)(=O)NOC(C)(C)C(=O)[O-])CC1	REAL300017941911	0	42	-1.0	-48.78	352.73	2.53	-46.25
COC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017941912	0	38	-1.0	-51.87	343.53	4.90	-46.97
CC(C)(ONS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017941913	0	39	-1.0	-49.72	350.46	5.23	-44.49
CC(C)CCN(CCC(C)C)S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941914	0	51	-1.0	-47.98	400.91	6.68	-41.30
COC(=O)C1=CC=C(Br)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941915	0	35	-1.0	-47.12	326.08	4.78	-42.34
CC(C)(ONS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017941916	0	37	-1.0	-53.40	341.55	0.28	-53.12
CC(C)(ONS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300017941917	0	44	-1.0	-61.53	386.41	2.79	-58.74
CC(C)(ONS(=O)(=O)C1=CC=C(F)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017941918	0	35	-1.0	-56.60	329.56	1.20	-55.40
COC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1Br	REAL300017941919	0	35	-1.0	-47.34	335.53	4.79	-42.55
CCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300017941920	0	42	-1.0	-50.92	349.71	6.11	-44.81
CCOC1=CC=C(C)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941921	0	39	-1.0	-52.19	335.99	5.05	-47.14
CC(C)(ONS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300017941922	0	34	-1.0	-54.42	312.75	3.84	-50.58
CC(C)(ONS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017941923	0	36	-1.0	-54.61	325.04	4.79	-49.82
CC(C)(ONS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017941924	0	31	-1.0	-55.15	308.87	4.79	-50.36
CC(C)(ONS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300017941925	0	30	-1.0	-61.95	278.72	3.86	-58.09
CCOCCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941926	0	43	-1.0	-53.35	371.32	4.12	-49.23
CCCCCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941927	0	45	-1.0	-49.98	380.33	6.25	-43.73
CC(C)(ONS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941928	1	31	-1.0	-59.49	294.88	5.96	-53.53
COC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1F	REAL300017941929	0	35	-1.0	-48.44	323.80	4.33	-44.11
COC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300017941930	0	35	-1.0	-45.35	338.04	5.13	-40.22
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941931	0	39	-1.0	-49.08	343.67	4.61	-44.47
COC(=O)CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])S1	REAL300017941932	0	35	-1.0	-54.34	333.85	4.27	-50.07
COC(=O)C1=CSC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941933	0	32	-1.0	-48.25	312.52	3.33	-44.92
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941934	0	41	-1.0	-46.38	342.19	5.44	-40.94
COC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1Cl	REAL300017941935	0	35	-1.0	-47.57	331.79	4.70	-42.87
COC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1C	REAL300017941936	0	38	-1.0	-52.55	335.29	4.84	-47.71
COC(=O)C1=CC=C(F)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941937	0	35	-1.0	-51.94	321.47	4.33	-47.61
CC(C)(ONS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300017941938	0	39	-1.0	-50.83	320.16	6.23	-44.60
CC(C)(ONS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017941939	0	35	-1.0	-49.63	313.06	5.50	-44.13
CC(C)(ONS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300017941940	0	28	-1.0	-47.36	280.79	2.47	-44.89
CC(C)(ONS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300017941941	0	33	-1.0	-49.21	320.86	5.12	-44.09
CC(C)(ONS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300017941942	0	34	-1.0	-50.50	300.46	2.96	-47.54
CC(C)(ONS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300017941943	0	34	-1.0	-47.79	315.15	-0.87	-48.66
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C2S1	REAL300017941944	0	43	-1.0	-51.23	377.48	5.61	-45.62
COC(=O)CC1(CS(=O)(=O)NOC(C)(C)C(=O)[O-])CC1	REAL300017941945	0	38	-1.0	-51.83	330.10	4.20	-47.63
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941946	0	34	-1.0	-48.95	321.29	3.56	-45.39
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C(F)C=C1F	REAL300017941947	0	32	-1.0	-50.97	293.44	4.38	-46.59
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941948	0	36	-1.0	-46.48	328.48	5.14	-41.34
CC(C)N1N=CC2=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C21	REAL300017941949	0	41	-1.0	-51.34	355.20	5.19	-46.15
CCCCCCN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(=O)NC1=O	REAL300017941950	1	47	-1.0	-65.36	398.82	4.79	-60.57
CC1=CN(C2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C2F)N=C1	REAL300017941951	0	39	-1.0	-59.28	349.09	5.69	-53.59
COC(=O)C1=CC(OC)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])S1	REAL300017941952	0	36	-1.0	-50.67	342.06	2.71	-47.96
CCS(=O)(=O)NCCS(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941953	0	36	-1.0	-54.27	328.54	-1.56	-55.83
CC1=CC(F)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1F	REAL300017941954	0	32	-1.0	-49.71	293.49	4.39	-45.32
CC1=CC(Cl)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017941955	0	34	-1.0	-44.32	315.19	5.28	-39.04
CC(C)(ONS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017941956	1	26	-1.0	-51.61	268.86	2.39	-49.22
CC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300017941957	0	35	-1.0	-53.39	318.23	4.94	-48.45
CC(C)(ONS(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017941958	1	26	-1.0	-43.33	286.74	3.84	-39.49
CC(C)(ONS(=O)(=O)C1=CC2=CC(F)=CC=C2S1)C(=O)[O-]	REAL300017941959	0	32	-1.0	-49.81	309.81	5.17	-44.64
CC(C)(ONS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300017941960	0	32	-1.0	-49.83	320.12	5.61	-44.22
CC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017941961	0	35	-1.0	-46.07	331.17	6.56	-39.51
CC(C)(ONS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017941962	0	32	-1.0	-50.11	312.84	5.43	-44.68
CC(C)(ONS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300017941963	0	35	-1.0	-53.16	316.26	6.72	-46.44
CC(C)(ONS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300017941964	0	35	-1.0	-52.62	311.05	6.16	-46.46
CN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017941965	0	40	-1.0	-53.05	369.22	2.63	-50.42
CCOC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CN1C	REAL300017941966	0	39	-1.0	-59.96	347.49	4.70	-55.26
CCOC(=O)C1CC2=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C2O1	REAL300017941967	0	43	-1.0	-54.80	377.97	5.90	-48.90
CC(C)(ONS(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300017941968	0	35	-1.0	-52.15	329.58	1.20	-50.95
CC(C)(ONS(=O)(=O)C1=CC(Cl)=CC=C1CS(C)(=O)=O)C(=O)[O-]	REAL300017941969	0	38	-1.0	-61.10	353.76	3.17	-57.93
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017941970	0	42	-1.0	-54.09	371.90	5.23	-48.86
CC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])SC2=CC=CC(F)=C12	REAL300017941971	0	35	-1.0	-51.26	324.23	5.68	-45.58
CC(C)(ONS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300017941972	0	40	-1.0	-53.85	364.69	0.76	-53.09
CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1N(C)C	REAL300017941974	0	40	-1.0	-48.56	339.38	4.33	-44.23
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941975	0	34	-1.0	-40.78	311.25	5.30	-35.48
CSC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1Cl	REAL300017941976	0	33	-1.0	-47.09	319.68	5.13	-41.96
CC(C)(ONS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300017941977	0	32	-1.0	-70.14	297.46	4.24	-65.90
CC(C)(ONS(=O)(=O)CCC(=O)OCC1=CC=CC=C1)C(=O)[O-]	REAL300017941978	0	41	-1.0	-53.00	365.76	6.18	-46.82
CN(C)C1=CC=C(Br)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941979	0	37	-1.0	-49.12	322.83	4.53	-44.59
CC1=NN2C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=NC2=C1Cl	REAL300017941980	0	34	-1.0	-50.44	325.47	3.62	-46.82
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941981	0	35	-1.0	-49.13	325.20	5.45	-43.68
CCC1=NN(C)C(CC)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941982	0	41	-1.0	-48.20	340.62	4.24	-43.96
CCC1=NOC2=NC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C12	REAL300017941983	0	36	-1.0	-53.76	325.71	1.37	-52.39
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017941984	0	34	-1.0	-45.06	317.54	4.99	-40.07
CC(C)(ONS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300017941985	0	35	-1.0	-49.82	331.67	6.55	-43.27
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941986	0	35	-1.0	-49.03	314.87	5.00	-44.03
CC(C)(ONS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300017941987	0	32	-1.0	-67.36	301.71	3.52	-63.84
CC(C)(ONS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300017941988	0	32	-1.0	-49.85	321.89	5.49	-44.36
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941989	1	44	-1.0	-61.53	379.05	1.13	-60.40
CC(C)(ONS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300017941990	0	37	-1.0	-56.47	335.88	2.35	-54.12
CC(C)(ONS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017941991	0	28	-1.0	-43.69	283.24	2.72	-40.97
COC(=O)C1CCCCC1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941992	0	41	-1.0	-50.64	332.93	5.24	-45.40
COC(=O)C1(C2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C2)CC1	REAL300017941993	0	42	-1.0	-53.52	362.81	6.29	-47.23
CC(C)(ONS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300017941994	0	36	-1.0	-61.60	310.26	3.71	-57.89
CC(C)(ONS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300017941995	0	33	-1.0	-48.32	323.47	5.16	-43.16
CC(C)(ONS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300017941996	0	35	-1.0	-47.61	333.09	1.75	-45.86
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941997	0	33	-1.0	-43.90	316.04	4.64	-39.26
CC(C)(ONS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300017941998	0	38	-1.0	-57.72	330.41	7.32	-50.40
CCC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C(C(=O)OC)O1	REAL300017941999	0	38	-1.0	-53.45	343.73	3.93	-49.52
CC(C)(ONS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300017942000	0	46	-1.0	-63.33	375.89	5.43	-57.90
CC(C)(ONS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300017942028	0	32	-1.0	-49.39	296.66	4.53	-44.86
CC(C)(ONS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017942029	0	32	-1.0	-45.68	319.95	5.17	-40.51
CC(C)(ONS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300017942030	0	32	-1.0	-51.10	305.47	4.69	-46.41
CC1=CC(Br)=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942031	0	32	-1.0	-50.18	307.19	4.94	-45.24
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942032	0	40	-1.0	-65.57	338.18	2.50	-63.07
CSC1=CC=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942033	0	33	-1.0	-48.49	292.84	4.54	-43.95
CC(=O)NC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1Br	REAL300017942034	0	36	-1.0	-54.95	338.74	3.31	-51.64
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942035	0	40	-1.0	-67.27	337.83	4.04	-63.23
CC(C)(ONS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300017942036	0	41	-1.0	-64.95	347.99	3.50	-61.45
CC(C)(ONS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300017942037	0	35	-1.0	-50.08	344.94	1.79	-48.29
COC1=C(F)C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017942038	0	35	-1.0	-46.61	327.95	4.49	-42.12
COC(=O)NC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017942039	0	39	-1.0	-52.92	354.18	2.90	-50.02
CC(C)(ONS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017942040	0	40	-1.0	-52.81	363.39	5.48	-47.33
COC(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(OC)=C1	REAL300017942041	0	39	-1.0	-50.48	343.71	4.62	-45.86
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942042	0	32	-1.0	-41.45	297.58	4.93	-36.52
CC1=CC(C)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017942043	0	37	-1.0	-55.51	324.15	5.59	-49.92
CC(C)(ONS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300017942044	0	37	-1.0	-55.28	328.33	4.95	-50.33
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942045	0	45	-1.0	-61.10	400.93	2.33	-58.77
CC(C)(ONS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300017942046	0	35	-1.0	-57.90	303.91	-0.04	-57.94
CN1C(=O)N(C)C2=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C21	REAL300017942047	0	39	-1.0	-54.73	344.72	4.57	-50.16
CC(C)(ONS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300017942048	0	34	-1.0	-56.99	312.75	3.84	-53.15
COC1=CC(F)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(F)=C1	REAL300017942049	1	33	-1.0	-50.50	302.47	3.25	-47.25
CCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C)=C1	REAL300017942050	0	39	-1.0	-47.66	321.82	4.47	-43.19
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942051	0	37	-1.0	-60.38	341.09	-0.17	-60.55
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942052	0	38	-1.0	-52.97	334.26	5.39	-47.58
CC(C)(ONS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300017942053	0	33	-1.0	-47.47	298.78	4.23	-43.24
CSC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942054	0	33	-1.0	-48.88	304.67	4.68	-44.20
CCCOC(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942055	0	41	-1.0	-48.56	362.60	6.04	-42.52
CC(C)(ONS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2)C(=O)[O-]	REAL300017942056	0	35	-1.0	-48.48	315.93	3.30	-45.18
CCC(=O)NC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942057	0	39	-1.0	-52.79	341.13	3.37	-49.42
CC(C)(ONS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017942058	0	35	-1.0	-52.00	327.50	5.43	-46.57
CCN(CC1=CC=CC=C1)S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942059	0	40	-1.0	-48.71	334.34	5.44	-43.27
CC(C)(ONS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017942060	0	28	-1.0	-50.34	282.96	2.67	-47.67
CC(C)(ONS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300017942061	0	35	-1.0	-49.51	302.34	3.60	-45.91
CC(C)(ONS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300017942062	0	34	-1.0	-49.23	294.59	3.96	-45.27
CC(C)(ONS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300017942063	0	41	-1.0	-52.84	358.16	5.64	-47.20
CC(C)(ONS(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017942064	0	29	-1.0	-49.68	288.04	4.31	-45.37
CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(F)(F)F	REAL300017942065	0	35	-1.0	-52.29	318.90	5.18	-47.11
CC(C)(ONS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017942066	0	35	-1.0	-55.72	337.31	4.43	-51.29
CC1=NN(C)C2=NC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C12	REAL300017942067	0	37	-1.0	-49.95	330.80	3.40	-46.55
CC(C)(ONS(=O)(=O)CC1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017942068	0	32	-1.0	-52.18	315.05	5.07	-47.11
CC1=NOC2=NC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C12	REAL300017942069	0	33	-1.0	-48.36	304.23	0.64	-47.72
CC(C)(ONS(=O)(=O)C1=CC=C(CCCCl)C=C1)C(=O)[O-]	REAL300017942070	0	38	-1.0	-50.86	346.02	6.51	-44.35
COCC1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942071	0	36	-1.0	-50.14	319.54	3.38	-46.76
CC(C)(ONS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017942072	0	31	-1.0	-43.17	299.59	4.79	-38.38
COC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300017942073	0	38	-1.0	-52.97	359.70	4.76	-48.21
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942074	0	35	-1.0	-51.42	315.01	4.97	-46.45
CC(C)(ONS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017942075	0	32	-1.0	-49.33	302.01	4.86	-44.47
CC(C)(ONS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300017942076	0	41	-1.0	-67.34	361.07	2.16	-65.18
CC(C)(ONS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300017942077	0	36	-1.0	-48.32	334.43	4.21	-44.11
CC(C)(ONS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017942078	0	29	-1.0	-45.72	292.13	4.72	-41.00
COC1=CC(OC)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1Br	REAL300017942079	0	37	-1.0	-46.46	338.91	3.96	-42.50
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CN=C21	REAL300017942080	0	37	-1.0	-47.56	333.82	1.13	-46.43
CCOC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1F	REAL300017942116	0	38	-1.0	-48.10	345.67	5.26	-42.84
CC(C)(ONS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300017942117	0	37	-1.0	-50.97	328.00	4.06	-46.91
CC(C)(ONS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017942118	0	29	-1.0	-45.80	277.24	4.16	-41.64
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942119	0	48	-1.0	-59.43	386.40	7.95	-51.48
CC(C)(ONS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017942120	0	32	-1.0	-51.06	315.35	5.31	-45.75
CC(C)(ONS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300017942121	0	30	-1.0	-48.39	291.58	4.48	-43.91
CC(=O)NC1=CC(F)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1Cl	REAL300017942122	0	36	-1.0	-58.77	336.58	3.21	-55.56
CC1CC2=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C2O1	REAL300017942123	0	37	-1.0	-50.75	321.53	4.28	-46.47
COC1=CC(Cl)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1Cl	REAL300017942124	0	33	-1.0	-45.59	316.32	3.95	-41.64
CCC1=CC=CC(CC)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942125	0	41	-1.0	-48.30	323.72	6.92	-41.38
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942126	0	41	-1.0	-48.79	342.42	2.34	-46.45
COC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CS1	REAL300017942127	0	32	-1.0	-48.07	311.75	3.34	-44.73
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942128	0	38	-1.0	-52.00	347.11	5.96	-46.04
CC(C)(ONS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300017942129	0	40	-1.0	-52.17	369.88	7.01	-45.16
CC(C)(ONS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017942130	0	35	-1.0	-49.47	330.91	4.36	-45.11
CC(C)(ONS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017942131	0	35	-1.0	-55.48	347.63	4.88	-50.60
COC(=O)C1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1C	REAL300017942132	0	38	-1.0	-56.62	320.13	4.77	-51.85
CC(C)(ONS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017942133	0	31	-1.0	-44.66	313.99	4.96	-39.70
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942134	0	33	-1.0	-46.76	320.10	4.30	-42.46
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942135	0	41	-1.0	-48.42	343.66	4.27	-44.15
CCOC(=O)N1CCC(S(=O)(=O)NOC(C)(C)C(=O)[O-])CC1	REAL300017942136	0	43	-1.0	-55.88	355.33	3.53	-52.35
CC1=NC(C2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C2)=CO1	REAL300017942137	0	38	-1.0	-52.05	340.87	2.73	-49.32
CC(C)(ONS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017942138	0	28	-1.0	-45.79	291.56	2.74	-43.05
CC(C)(ONS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300017942139	0	32	-1.0	-48.79	290.53	2.32	-46.47
CC(C)(ONS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300017942140	0	37	-1.0	-50.57	318.17	4.29	-46.28
COC1=CC=C(Cl)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942141	0	33	-1.0	-48.92	300.30	3.39	-45.53
COC(=O)C1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C2=CC=CC=C2S1	REAL300017942142	0	38	-1.0	-59.33	350.77	6.36	-52.97
COC(=O)CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942143	0	38	-1.0	-54.12	341.42	5.11	-49.01
CC1=CC=C(N2C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=N2)C=C1	REAL300017942144	0	39	-1.0	-50.73	346.45	5.46	-45.27
CC(C)(ONS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017942145	0	47	-1.0	-53.51	404.95	5.82	-47.69
CC(C)(ONS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017942146	0	47	-1.0	-60.36	402.72	5.74	-54.62
CC(C)(ONS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017942147	0	44	-1.0	-53.02	388.36	4.98	-48.04
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])S1	REAL300017942148	0	31	-1.0	-45.78	303.77	4.04	-41.74
CC(=O)N1CCC2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C21	REAL300017942149	0	40	-1.0	-70.35	343.65	4.71	-65.64
CC(C)(ONS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017942150	0	29	-1.0	-49.87	286.16	4.57	-45.30
CC(C)(ONS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017942151	0	29	-1.0	-44.91	300.60	4.74	-40.17
COC1=CC(C)=CC(C)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942152	0	39	-1.0	-50.96	325.94	5.40	-45.56
COC(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1F	REAL300017942153	0	35	-1.0	-48.19	323.79	4.34	-43.85
COC1=CC=C(Cl)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942154	0	33	-1.0	-46.32	305.75	4.48	-41.84
COC1=CC=C(C)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942155	0	36	-1.0	-46.70	299.97	3.55	-43.15
CC(C)(ONS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300017942156	0	30	-1.0	-45.52	304.97	4.56	-40.96
COC1=CC(C)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1Cl	REAL300017942157	0	36	-1.0	-52.15	325.55	4.26	-47.89
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])S1	REAL300017942158	0	35	-1.0	-46.57	342.43	4.42	-42.15
CC(=O)NC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1F	REAL300017942159	0	36	-1.0	-54.80	325.66	2.67	-52.13
COC1=CC(Cl)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1OC	REAL300017942160	0	37	-1.0	-48.48	329.64	3.31	-45.17
CC(C)(ONS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300017942161	0	33	-1.0	-49.77	309.94	3.30	-46.47
CC(C)(ONS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300017942162	0	32	-1.0	-49.79	308.80	4.72	-45.07
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C	REAL300017942163	0	40	-1.0	-55.70	356.33	0.63	-55.07
CCOC(=O)C1=CC2=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C2S1	REAL300017942164	0	41	-1.0	-52.99	379.11	6.71	-46.28
COC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(Br)=C1	REAL300017942165	0	33	-1.0	-49.26	300.83	3.42	-45.84
CC(C)(ONS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300017942166	0	34	-1.0	-56.81	321.25	-0.73	-57.54
CC1=CC2=C(C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-])OCO2	REAL300017942167	0	35	-1.0	-45.48	296.50	2.91	-42.57
CC(C)(ONS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300017942168	0	35	-1.0	-48.46	331.46	4.81	-43.65
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942169	0	35	-1.0	-58.73	310.88	5.14	-53.59
CC(C)(ONS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017942170	0	29	-1.0	-46.94	287.58	4.60	-42.34
CC1=CC(F)=CC(C)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942171	0	35	-1.0	-46.36	299.65	5.40	-40.96
CC(C)(ONS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017942172	0	29	-1.0	-44.65	288.10	4.64	-40.01
COC1=CC2=C(C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-])OCC(=O)N2	REAL300017942173	0	39	-1.0	-48.90	339.68	1.20	-47.70
CC(C)(ONS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300017942174	0	30	-1.0	-55.57	287.24	2.10	-53.47
CC(C)(ONS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017942175	0	29	-1.0	-55.45	287.32	4.28	-51.17
COC(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1OC	REAL300017942176	0	39	-1.0	-50.64	346.55	4.37	-46.27
CC(C)(ONS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300017942177	0	33	-1.0	-51.66	315.73	0.95	-50.71
CCOC1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942178	0	36	-1.0	-49.38	315.82	3.88	-45.50
CC(C)(ONS(=O)(=O)C1=C2OC(C)(C)CC2=CC=C1)C(=O)[O-]	REAL300017942179	0	40	-1.0	-54.69	340.13	5.30	-49.39
CC(C)(ONS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300017942180	0	33	-1.0	-52.14	321.14	4.84	-47.30
CC(C)(ONS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300017942220	0	30	-1.0	-59.96	288.21	4.22	-55.74
COC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)N(C)C	REAL300017942221	0	43	-1.0	-52.96	366.65	3.42	-49.54
CC1CC2=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC(Cl)=C2O1	REAL300017942222	0	37	-1.0	-52.12	338.26	4.78	-47.34
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017942223	0	34	-1.0	-48.36	308.69	4.84	-43.52
CCOC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300017942224	0	43	-1.0	-51.39	379.39	6.28	-45.11
CC1=CC=C(Br)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942225	0	32	-1.0	-48.44	292.79	4.78	-43.66
COC(=O)C1=COC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942226	1	32	-1.0	-51.80	304.36	2.41	-49.39
COC1=CC=CC=C1N1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=N1	REAL300017942227	0	40	-1.0	-58.37	352.22	4.43	-53.94
CC(C)(ONS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300017942228	0	31	-1.0	-52.34	296.48	3.15	-49.19
CC(=O)N(C)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942229	0	39	-1.0	-56.73	342.74	4.32	-52.41
CC(=O)NC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1C	REAL300017942230	0	39	-1.0	-67.03	338.08	3.41	-63.62
CC(C)(ONS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300017942231	0	34	-1.0	-51.09	311.79	3.75	-47.34
CC(C)(ONS(=O)(=O)C1=CC=CC2=C1NC(=O)CO2)C(=O)[O-]	REAL300017942232	0	35	-1.0	-50.10	311.09	1.23	-48.87
CN1CCCC2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C21	REAL300017942233	0	41	-1.0	-50.96	338.69	4.21	-46.75
CC(C)(ONS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300017942234	0	31	-1.0	-50.46	299.21	2.90	-47.56
CC1=CC=C(Cl)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942235	0	32	-1.0	-49.62	292.26	4.76	-44.86
COC1=CC=CC(OC)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942236	0	37	-1.0	-55.37	318.46	4.18	-51.19
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CN=C1Cl	REAL300017942237	0	31	-1.0	-46.31	295.13	2.88	-43.43
CC(C)(ONS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1)C(=O)[O-]	REAL300017942238	0	35	-1.0	-51.35	315.87	2.72	-48.63
CC(C)(ONS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017942239	0	28	-1.0	-45.07	285.64	3.42	-41.65
CC(C)(C)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])S1	REAL300017942240	0	38	-1.0	-50.78	337.47	5.31	-45.47
COC1=CC(OC)=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942241	0	37	-1.0	-52.97	323.46	2.27	-50.70
CC(C)(ONS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300017942242	0	30	-1.0	-46.81	291.59	4.48	-42.33
CN1C=NC2=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C21	REAL300017942243	0	35	-1.0	-54.39	312.75	5.00	-49.39
CC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017942244	0	37	-1.0	-54.36	314.39	5.38	-48.98
CCC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1CC	REAL300017942245	0	41	-1.0	-50.77	341.54	6.23	-44.54
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942246	0	37	-1.0	-45.86	319.28	5.93	-39.93
CC1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1Cl	REAL300017942247	0	32	-1.0	-50.41	289.57	4.68	-45.73
COC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C(C)O1	REAL300017942248	0	35	-1.0	-43.59	318.11	3.16	-40.43
CC(C)(ONS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300017942249	0	30	-1.0	-43.09	281.57	1.68	-41.41
CC(C)(ONS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300017942250	0	35	-1.0	-53.83	311.28	4.84	-48.99
COC(=O)C1=NSC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942251	0	31	-1.0	-49.83	296.91	2.37	-47.46
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC(C)=C1F	REAL300017942253	0	35	-1.0	-47.90	311.50	5.00	-42.90
CC(C)(ONS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1)C(=O)[O-]	REAL300017942254	0	37	-1.0	-54.07	324.06	2.11	-51.96
CC(C)(ONS(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)[O-]	REAL300017942255	0	40	-1.0	-49.21	328.48	1.75	-47.46
COC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CN1C	REAL300017942256	0	36	-1.0	-60.22	325.63	3.78	-56.44
CC(C)C(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942257	0	40	-1.0	-48.44	347.10	5.50	-42.94
CC(C)(ONS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017942258	0	32	-1.0	-51.51	310.48	4.96	-46.55
CC(C)(ONS(=O)(=O)CC1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300017942259	0	32	-1.0	-50.24	311.03	4.97	-45.27
CC(C)(ONS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017942260	1	29	-1.0	-50.57	280.53	4.45	-46.12
COC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CN=C1Cl	REAL300017942261	0	32	-1.0	-46.31	305.32	1.62	-44.69
CC(C)(ONS(=O)(=O)CC1=CC(C#N)=CC=C1F)C(=O)[O-]	REAL300017942262	0	33	-1.0	-51.87	314.62	4.83	-47.04
COC(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=N1	REAL300017942263	0	34	-1.0	-51.23	315.22	2.50	-48.73
CC(C)(ONS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017942264	1	28	-1.0	-50.97	283.45	3.10	-47.87
COCC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942265	0	36	-1.0	-50.37	319.55	3.39	-46.98
COC1=CC(C#N)=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942266	0	34	-1.0	-47.80	309.75	4.36	-43.44
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942267	0	35	-1.0	-53.10	335.99	4.82	-48.28
CC(C)(ONS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2)C(=O)[O-]	REAL300017942268	0	32	-1.0	-46.11	302.50	1.59	-44.52
CCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=N1	REAL300017942269	0	35	-1.0	-47.93	313.51	1.28	-46.65
CC(C)(ONS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300017942270	0	38	-1.0	-61.35	349.50	1.88	-59.47
CC(=O)NC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1F	REAL300017942271	0	36	-1.0	-58.18	326.21	2.67	-55.51
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C21	REAL300017942272	0	43	-1.0	-59.38	356.94	5.27	-54.11
CC(C)(ONS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300017942273	0	32	-1.0	-52.19	289.24	2.51	-49.68
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942274	0	35	-1.0	-47.94	319.13	5.43	-42.51
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942275	0	46	-1.0	-52.38	401.23	3.38	-49.00
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942276	0	39	-1.0	-54.72	349.71	1.49	-53.23
CC(=O)N1CCC2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C2CC1	REAL300017942277	0	46	-1.0	-52.22	377.22	5.61	-46.61
COC(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(F)(F)F	REAL300017942278	0	38	-1.0	-47.31	349.43	5.13	-42.18
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942279	0	38	-1.0	-48.67	331.07	6.01	-42.66
CC(C)(ONS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300017942280	0	32	-1.0	-49.69	296.23	4.91	-44.78
CC(C)(ONS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017942281	0	32	-1.0	-47.06	302.89	5.31	-41.75
COCCNC(=O)C1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942282	0	43	-1.0	-53.73	376.01	1.86	-51.87
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942283	0	42	-1.0	-48.73	365.54	5.53	-43.20
CCOC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1C	REAL300017942284	0	41	-1.0	-48.08	357.18	5.77	-42.31
CCOC(=O)CC1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942285	0	41	-1.0	-54.08	363.29	6.02	-48.06
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1OC	REAL300017942286	0	40	-1.0	-52.46	360.07	3.45	-49.01
CCOC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C(F)C=C1C	REAL300017942287	0	41	-1.0	-50.18	359.35	5.80	-44.38
CC(C)(ONS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300017942288	0	35	-1.0	-48.63	326.67	5.71	-42.92
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942289	0	38	-1.0	-51.54	343.33	5.26	-46.28
CC(C)(ONS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017942290	0	39	-1.0	-50.28	338.67	7.07	-43.21
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942291	0	43	-1.0	-53.70	383.62	1.45	-52.25
CC(C)(ONS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017942292	0	32	-1.0	-49.18	305.22	4.98	-44.20
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CN1C	REAL300017942293	0	41	-1.0	-57.69	366.48	4.88	-52.81
CC(C)(ONS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017942294	0	33	-1.0	-51.80	312.23	4.56	-47.24
CC(C)(ONS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300017942295	0	32	-1.0	-50.30	296.66	4.53	-45.77
CC1=NC(Cl)=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942296	0	31	-1.0	-47.87	292.17	3.04	-44.83
CC1=NC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C(Br)N1C	REAL300017942297	1	32	-1.0	-51.70	305.94	3.14	-48.56
CC(C)(ONS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017942298	0	30	-1.0	-45.84	287.85	2.52	-43.32
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942299	0	42	-1.0	-54.17	358.43	4.52	-49.65
COC(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(F)=C1	REAL300017942300	0	35	-1.0	-55.81	321.44	4.35	-51.46
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942301	0	40	-1.0	-53.68	359.18	3.48	-50.20
CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300017942302	0	44	-1.0	-53.19	377.39	6.48	-46.71
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942303	0	41	-1.0	-56.62	368.14	2.88	-53.74
COC(=O)C1(CS(=O)(=O)NOC(C)(C)C(=O)[O-])CCCC1	REAL300017942304	0	41	-1.0	-52.25	339.13	4.75	-47.50
COCC1=CC(Cl)=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942305	0	36	-1.0	-50.10	336.27	3.89	-46.21
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300017942306	0	35	-1.0	-47.43	318.90	5.17	-42.26
CC(C)(ONS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300017942307	0	40	-1.0	-49.28	369.89	7.03	-42.25
COC(=O)CC1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942308	0	38	-1.0	-54.32	341.43	5.10	-49.22
CC(C)(ONS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300017942309	0	35	-1.0	-52.12	326.13	5.64	-46.48
COC(=O)C1(CS(=O)(=O)NOC(C)(C)C(=O)[O-])CCC1	REAL300017942310	0	38	-1.0	-53.14	323.54	4.09	-49.05
CC(C)(ONS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300017942311	0	29	-1.0	-48.68	297.05	3.85	-44.83
CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1I	REAL300017942312	0	32	-1.0	-50.74	309.82	5.30	-45.44
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942313	0	42	-1.0	-57.41	374.32	4.03	-53.38
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942314	0	45	-1.0	-57.24	396.19	4.95	-52.29
COC(=O)C1(CS(=O)(=O)NOC(C)(C)C(=O)[O-])CCCCC1	REAL300017942315	0	44	-1.0	-50.70	350.86	5.19	-45.51
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942316	0	37	-1.0	-55.17	334.96	4.66	-50.51
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=N1	REAL300017942317	1	31	-1.0	-56.07	291.58	2.67	-53.40
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C2	REAL300017942318	0	42	-1.0	-57.29	364.30	7.50	-49.79
CC(C)(ONS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017942319	0	32	-1.0	-52.93	319.98	5.42	-47.51
CC(C)(ONS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300017942320	0	32	-1.0	-54.01	310.85	5.02	-48.99
COC1=CC=C(Br)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1F	REAL300017942321	1	33	-1.0	-56.92	313.43	3.90	-53.02
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942322	0	39	-1.0	-48.93	340.41	5.93	-43.00
CC(C)(ONS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300017942323	0	33	-1.0	-49.45	310.62	5.28	-44.17
CC(C)(ONS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300017942324	0	38	-1.0	-50.02	331.43	5.97	-44.05
CC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C(C(N)=O)O1	REAL300017942325	0	33	-1.0	-44.84	299.73	-0.80	-45.64
CCCC1=CC=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942329	0	38	-1.0	-50.47	317.51	6.02	-44.45
CC(C)(ONS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300017942330	0	38	-1.0	-55.20	326.80	4.41	-50.79
CC(C)(ONS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300017942331	0	29	-1.0	-50.97	275.77	3.60	-47.37
CC(C)(ONS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300017942332	0	35	-1.0	-49.08	316.35	5.26	-43.82
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942333	0	45	-1.0	-48.69	382.55	6.56	-42.13
CC(C)(ONS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300017942334	0	34	-1.0	-58.53	294.70	3.99	-54.54
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C21	REAL300017942335	0	49	-1.0	-57.20	389.93	6.07	-51.13
COC(=O)C1=CN(C)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942336	0	36	-1.0	-55.64	327.25	3.78	-51.86
CC(C)(ONS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300017942337	0	43	-1.0	-50.29	360.03	3.74	-46.55
CC(C)(ONS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300017942338	0	44	-1.0	-71.39	375.16	6.31	-65.08
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C21	REAL300017942339	0	43	-1.0	-70.56	365.30	5.60	-64.96
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C2)C=C1	REAL300017942340	0	44	-1.0	-49.75	393.37	7.52	-42.23
CC(C)(ONS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300017942341	0	36	-1.0	-53.44	314.37	3.35	-50.09
CC(C)(ONS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300017942342	0	36	-1.0	-47.75	310.95	3.47	-44.28
CC(C)(ONS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300017942343	0	39	-1.0	-48.33	326.82	4.41	-43.92
CC(C)(ONS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300017942350	0	35	-1.0	-50.89	331.32	4.58	-46.31
CC(C)(ONS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300017942351	0	35	-1.0	-52.71	315.20	0.89	-51.82
CC(C)(ONS(=O)(=O)C1=CN=C2CCCCN21)C(=O)[O-]	REAL300017942353	0	36	-1.0	-54.06	307.04	3.66	-50.40
COC1=C(F)C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1F	REAL300017942354	0	33	-1.0	-47.16	310.36	3.21	-43.95
COC1=CC(F)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1F	REAL300017942355	0	33	-1.0	-49.45	302.42	3.06	-46.39
CCCCCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300017942356	0	54	-1.0	-48.62	438.93	8.27	-40.35
COC1=CC(C(C)C)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C	REAL300017942357	0	45	-1.0	-51.41	366.62	5.56	-45.85
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942358	0	39	-1.0	-51.75	339.02	5.04	-46.71
CCOCCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300017942359	0	52	-1.0	-50.32	429.91	6.13	-44.19
CC1CC2=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C2O1	REAL300017942360	0	37	-1.0	-53.30	321.62	4.24	-49.06
CC(C)(C)C1=NC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])S1	REAL300017942361	0	37	-1.0	-48.63	333.15	3.32	-45.31
CC(C)(ONS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300017942362	0	37	-1.0	-51.17	332.70	5.87	-45.30
COC1=C(F)C=CC(F)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942363	1	33	-1.0	-50.69	302.51	4.28	-46.41
CC1=C(Br)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C(C)S1	REAL300017942364	0	32	-1.0	-49.85	309.92	5.08	-44.77
CC1=CC(Cl)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(Br)=C1	REAL300017942365	0	32	-1.0	-49.40	313.09	5.77	-43.63
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C21	REAL300017942366	0	46	-1.0	-59.52	374.48	5.77	-53.75
CC(C)(ONS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300017942367	0	35	-1.0	-51.77	318.15	4.30	-47.47
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C21	REAL300017942368	0	43	-1.0	-53.41	361.63	5.14	-48.27
CN1N=C(Br)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942369	0	29	-1.0	-48.36	286.43	1.79	-46.57
CC(C)(ONS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017942370	0	31	-1.0	-46.80	298.37	2.82	-43.98
CC1=NN2C=CC=NC2=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942371	0	34	-1.0	-60.14	305.17	3.28	-56.86
CC(C)(ONS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300017942372	0	33	-1.0	-55.10	317.62	4.21	-50.89
CC(C)(ONS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300017942373	0	30	-1.0	-49.44	279.36	2.45	-46.99
CC(C)(ONS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300017942374	0	32	-1.0	-53.40	303.33	5.09	-48.31
CC(C)(ONS(=O)(=O)C1=CNC2=C(Br)C=CC=C12)C(=O)[O-]	REAL300017942375	0	33	-1.0	-52.06	317.54	4.20	-47.86
CC(C)(ONS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300017942376	0	32	-1.0	-61.39	309.38	3.36	-58.03
CN1N=C(C2CC2)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942377	0	36	-1.0	-48.46	314.39	3.36	-45.10
CC1=CC(C)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C)=C1F	REAL300017942378	0	38	-1.0	-50.52	316.49	5.94	-44.58
COC1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1OC	REAL300017942379	0	37	-1.0	-51.87	321.79	3.49	-48.38
CC(C)(ONS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300017942380	0	38	-1.0	-64.82	332.80	0.88	-63.94
CC(C)(ONS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300017942381	0	30	-1.0	-45.38	304.99	4.56	-40.82
COC1=CC=C(F)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1OC	REAL300017942382	0	37	-1.0	-54.08	325.51	3.94	-50.14
CC(C)(ONS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300017942384	0	26	-1.0	-48.34	284.62	3.85	-44.49
CN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C2CCCC2)=N1	REAL300017942385	0	42	-1.0	-51.40	353.25	4.54	-46.86
CC(C)(ONS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300017942386	0	33	-1.0	-55.95	315.34	5.60	-50.35
CN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C2CC2)=N1	REAL300017942388	0	36	-1.0	-51.93	321.61	3.55	-48.38
CC(C)(ONC(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017942389	0	31	-1.0	-55.94	297.05	8.24	-47.70
CC(C)(ONS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300017942390	0	33	-1.0	-52.98	303.73	3.24	-49.74
CC(C)(ONS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300017942391	0	33	-1.0	-57.32	317.72	4.21	-53.11
CC(C)(ONS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017942392	0	32	-1.0	-53.36	293.91	2.87	-50.49
CN1N=NC2=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=CC=C21	REAL300017942393	0	34	-1.0	-67.34	307.28	2.16	-65.18
CC1=CC(C)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1Br	REAL300017942395	0	35	-1.0	-43.83	310.00	5.44	-38.39
CC(C)(ONS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300017942396	0	35	-1.0	-46.72	332.69	4.80	-41.92
CC(C)(ONS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300017942397	0	32	-1.0	-47.76	293.69	3.95	-43.81
CN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C2CCC2)=N1	REAL300017942398	0	39	-1.0	-51.54	336.76	4.04	-47.50
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942399	0	47	-1.0	-51.52	376.67	7.51	-44.01
CC(C)(ONS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300017942400	0	35	-1.0	-46.17	335.68	5.54	-40.63
CC(C)(ONS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300017942401	0	39	-1.0	-49.18	338.47	4.31	-44.87
CC(C)(ONS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300017942402	0	33	-1.0	-50.41	300.51	4.84	-45.57
CC(C)(ONS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300017942403	0	40	-1.0	-50.97	363.13	6.42	-44.55
CC(C)(ONS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300017942404	0	42	-1.0	-55.07	354.27	2.06	-53.01
COC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017942405	0	38	-1.0	-63.77	329.91	4.88	-58.89
CCCC1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942406	0	38	-1.0	-49.23	328.87	5.87	-43.36
COC(=O)C1=NN(C)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942407	0	35	-1.0	-54.28	320.75	2.02	-52.26
CC(C)(ONS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300017942408	0	30	-1.0	-53.83	279.03	3.88	-49.95
CN1N=C2CCCC2=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942409	0	36	-1.0	-50.31	309.17	3.25	-47.06
CC(C)(ONS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017942410	0	33	-1.0	-47.66	320.93	5.00	-42.66
COC(=O)C1=CC2=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C2C=C1	REAL300017942411	0	41	-1.0	-53.39	365.16	6.58	-46.81
CC(C)(ONS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300017942412	0	38	-1.0	-49.66	353.49	6.26	-43.40
CC(C)(C)N1N=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942413	0	38	-1.0	-49.30	310.63	3.51	-45.79
CC(C)(C)N1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=N1	REAL300017942414	0	38	-1.0	-49.15	329.00	3.38	-45.77
CC(C)(ONS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300017942415	0	36	-1.0	-50.07	313.41	2.73	-47.34
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300017942416	0	34	-1.0	-45.94	315.40	3.48	-42.46
CC(C)(ONS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017942417	0	32	-1.0	-46.28	309.62	4.73	-41.55
CC(C)(ONS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300017942418	0	29	-1.0	-51.12	271.88	3.65	-47.47
CC(C)(ONS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300017942419	0	29	-1.0	-44.59	296.23	3.76	-40.83
CC(C)(ONS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300017942420	0	34	-1.0	-46.89	294.37	2.96	-43.93
CC(C)(ONS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300017942421	0	32	-1.0	-48.86	316.37	5.08	-43.78
CC(C)(ONS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300017942422	0	32	-1.0	-52.35	282.97	4.43	-47.92
CCCC(=O)C1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942423	0	40	-1.0	-52.18	349.05	5.69	-46.49
CC(C)(ONS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300017942424	0	40	-1.0	-51.43	334.11	6.71	-44.72
CC(C)(ONS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300017942425	0	39	-1.0	-50.04	344.72	5.35	-44.69
CC(C)(ONS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300017942426	0	35	-1.0	-48.60	326.89	4.70	-43.90
CC(C)(ONS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300017942427	0	35	-1.0	-49.69	306.88	4.12	-45.57
CC(C)(ONS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300017942428	0	34	-1.0	-43.72	319.51	4.64	-39.08
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942429	0	39	-1.0	-48.87	360.67	4.43	-44.44
CC(C)(ONS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1)C(=O)[O-]	REAL300017942430	0	38	-1.0	-58.94	338.62	3.63	-55.31
CC(C)(ONS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300017942431	0	29	-1.0	-46.90	280.80	3.71	-43.19
CC(C)(ONS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017942432	0	32	-1.0	-47.45	292.55	4.86	-42.59
COC(=O)C1=C(C)SC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942433	0	35	-1.0	-48.02	330.64	4.01	-44.01
CC(C)(ONS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300017942434	0	36	-1.0	-53.97	315.96	5.79	-48.18
CC(C)(ONS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300017942435	0	31	-1.0	-47.05	318.86	3.89	-43.16
CC(C)(ONS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300017942436	0	39	-1.0	-47.63	328.47	4.18	-43.45
CCC(C)N1N=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942437	0	38	-1.0	-48.49	324.43	3.57	-44.92
CNC(=O)NC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942438	0	38	-1.0	-53.46	335.68	1.18	-52.28
CC(C)(ONS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300017942439	0	32	-1.0	-56.39	318.41	0.16	-56.23
CN(C1CCCCCC1)S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942440	0	43	-1.0	-47.00	335.08	4.67	-42.33
COC1=CC(F)=C(F)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942441	0	33	-1.0	-43.91	301.74	4.09	-39.82
CN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C2CCOCC2)=N1	REAL300017942442	0	43	-1.0	-51.61	362.97	2.79	-48.82
CC(C)(ONS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300017942443	0	35	-1.0	-48.57	317.69	5.19	-43.38
CC(C)(ONS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300017942444	0	33	-1.0	-50.33	303.72	3.24	-47.09
CC(C)(ONS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017942445	0	44	-1.0	-48.05	359.95	6.34	-41.71
CC1=CC(C)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C2=NC=CC=C12	REAL300017942446	0	40	-1.0	-61.02	335.91	5.98	-55.04
CC(C)(ONS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300017942447	0	37	-1.0	-47.26	319.96	3.79	-43.47
CCOCC1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942448	0	39	-1.0	-50.09	341.39	4.35	-45.74
CC(C)(ONS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300017942449	0	32	-1.0	-50.49	323.76	5.67	-44.82
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942452	0	39	-1.0	-51.63	343.14	4.92	-46.71
CC(C)(ONS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300017942453	0	42	-1.0	-52.62	350.86	4.62	-48.00
CC(C)(ONS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300017942454	0	40	-1.0	-49.95	353.17	6.50	-43.45
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC(C)=C1Br	REAL300017942455	0	35	-1.0	-48.12	322.17	5.41	-42.71
CCN1N=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1Cl	REAL300017942456	0	32	-1.0	-46.08	302.44	2.54	-43.54
CC(C)(ONS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300017942457	0	33	-1.0	-49.31	314.64	5.36	-43.95
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C2	REAL300017942458	0	35	-1.0	-49.71	349.57	4.89	-44.82
CC(C)(ONS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017942460	0	31	-1.0	-55.84	302.31	2.90	-52.94
CC(C)(ONS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017942461	0	34	-1.0	-55.22	320.93	4.85	-50.37
CC(C)(ONS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017942462	0	34	-1.0	-56.36	307.04	4.34	-52.02
CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300017942463	0	38	-1.0	-52.28	317.25	6.37	-45.91
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942464	1	33	-1.0	-56.59	316.31	4.68	-51.91
CC(C)(ONS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300017942465	0	36	-1.0	-53.50	322.42	4.03	-49.47
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C21	REAL300017942466	0	43	-1.0	-51.41	369.06	5.18	-46.23
CC(C)(ONS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017942467	1	29	-1.0	-53.58	288.82	4.23	-49.35
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])O1	REAL300017942468	0	35	-1.0	-60.86	328.10	-0.04	-60.90
CN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300017942469	0	39	-1.0	-49.00	333.48	4.78	-44.22
CC(C)(ONS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300017942470	0	35	-1.0	-53.47	335.91	1.07	-52.40
CC(C)(ONS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017942471	0	33	-1.0	-50.47	302.79	4.92	-45.55
CC(C)(ONS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300017942472	0	33	-1.0	-48.79	317.67	5.46	-43.33
CC(C)(ONS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300017942473	0	33	-1.0	-49.92	317.67	5.47	-44.45
CC(C)(ONS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300017942474	0	33	-1.0	-51.07	308.30	4.98	-46.09
COC(=O)C1CCCCN1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942475	0	40	-1.0	-55.70	325.30	4.43	-51.27
CC(C)(ONS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300017942476	0	51	-1.0	-51.49	394.06	7.83	-43.66
CC(C)(ONS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017942477	0	32	-1.0	-57.10	309.93	4.47	-52.63
COC1=CC=C(C=C(C)S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942478	0	40	-1.0	-50.41	340.66	4.69	-45.72
COC(=O)C=CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942479	0	39	-1.0	-51.32	351.14	5.56	-45.76
CCOC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=NN1	REAL300017942480	1	35	-1.0	-50.84	324.84	1.46	-49.38
COC1=CSC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1OC	REAL300017942481	0	34	-1.0	-50.79	317.44	1.67	-49.12
CC(C)(ONS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300017942482	0	41	-1.0	-49.04	324.49	4.15	-44.89
CN(CCC1=CC=CC=C1)S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942483	0	40	-1.0	-48.03	344.71	5.58	-42.45
CC(C)(ONC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300017942484	0	40	-1.0	-56.83	338.99	11.26	-45.57
CC(C)(ONC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300017942485	0	46	-1.0	-57.38	360.08	10.72	-46.66
CC(C)(C)OC(=O)N1CCN(C(=O)NOC(C)(C)C(=O)[O-])CC1	REAL300017942486	0	47	-1.0	-57.20	364.68	7.28	-49.92
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NOC(C)(C)C(=O)[O-]	REAL300017942487	0	48	-1.0	-58.06	378.67	7.84	-50.22
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942488	1	33	-1.0	-50.43	314.83	4.81	-45.62
CC(C)(ONS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300017942489	0	33	-1.0	-49.83	312.62	4.24	-45.59
CC(C)(ONS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300017942490	0	33	-1.0	-54.33	309.97	3.31	-51.02
CN1N=C2C=CC=CC2=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942491	0	35	-1.0	-52.08	308.90	3.61	-48.47
CN1C=CC2=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C21	REAL300017942492	0	36	-1.0	-55.57	318.19	5.43	-50.14
CC(C)(ONS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300017942493	0	32	-1.0	-47.59	292.62	4.85	-42.74
CC(C)(ONS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300017942494	0	38	-1.0	-49.49	343.35	4.14	-45.35
CC(C)(ONS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017942495	1	26	-1.0	-44.99	289.55	3.76	-41.23
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942496	0	42	-1.0	-54.47	355.51	6.08	-48.39
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300017942497	0	46	-1.0	-51.38	382.89	5.57	-45.81
CC(C)(ONS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300017942498	0	32	-1.0	-53.05	320.73	5.08	-47.97
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300017942499	0	34	-1.0	-48.91	317.11	4.33	-44.58
COC(=O)[C@@H]1CCCN1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942500	0	37	-1.0	-52.63	315.83	2.77	-49.86
CC(C)(ONS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300017942501	1	26	-1.0	-46.86	282.98	3.67	-43.19
CC(C)(ONS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017942502	0	40	-1.0	-49.33	353.16	6.49	-42.84
CC(C)(ONS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300017942503	0	35	-1.0	-53.51	298.07	5.21	-48.30
CC(C)(ONS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300017942504	0	34	-1.0	-56.59	319.36	2.25	-54.34
CC(C)(ONS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300017942505	0	30	-1.0	-52.30	303.98	2.59	-49.71
CC1=CC(Cl)=NC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942506	0	31	-1.0	-42.26	282.90	2.87	-39.39
C=C(C)COC1=CC=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942507	0	40	-1.0	-49.52	348.11	5.29	-44.23
CCN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C2CC2)=N1	REAL300017942508	0	39	-1.0	-52.01	343.15	4.40	-47.61
CC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300017942509	0	33	-1.0	-59.25	302.49	3.01	-56.24
CC(C)(ONS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300017942510	0	35	-1.0	-50.04	327.12	6.45	-43.59
CC(=O)OC1CCN(S(=O)(=O)NOC(C)(C)C(=O)[O-])C1	REAL300017942511	0	37	-1.0	-50.70	324.26	2.85	-47.85
CC(C)(ONS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300017942512	0	39	-1.0	-49.91	355.40	7.59	-42.32
CCC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1Br	REAL300017942513	0	35	-1.0	-48.05	323.51	5.53	-42.52
CC1=NN(C2CCCC2)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942514	0	42	-1.0	-49.16	351.24	4.86	-44.30
COCCC1=CC=C(OC)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942515	0	43	-1.0	-49.30	365.59	4.47	-44.83
CC(C)(ONS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300017942516	0	35	-1.0	-51.61	316.42	6.36	-45.25
CN1N=C2CCOCC2=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942517	0	37	-1.0	-51.50	315.74	1.47	-50.03
CC(C)(ONS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300017942518	0	35	-1.0	-51.33	329.32	3.49	-47.84
CC(=O)OCC1CCN(S(=O)(=O)NOC(C)(C)C(=O)[O-])CC1	REAL300017942519	0	43	-1.0	-51.24	359.66	4.46	-46.78
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942520	0	43	-1.0	-54.87	373.01	4.35	-50.52
CC(C)(ONS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300017942521	0	39	-1.0	-48.02	328.47	1.53	-46.49
COC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C)=N1	REAL300017942522	0	35	-1.0	-49.51	307.46	1.08	-48.43
COC1=NC=C(C)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942523	0	35	-1.0	-51.18	308.24	2.00	-49.18
CC(C)(ONS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300017942524	0	44	-1.0	-49.15	366.36	4.04	-45.11
COC1=NC=C(Cl)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942525	0	32	-1.0	-46.77	303.56	1.85	-44.92
COC1=NC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C	REAL300017942526	0	35	-1.0	-48.29	311.79	1.08	-47.21
CC(C)CN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=N1	REAL300017942527	0	38	-1.0	-53.49	327.44	3.81	-49.68
CC1=NN(C(C)C)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942528	0	38	-1.0	-51.18	323.47	3.22	-47.96
CC(C)(ONS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300017942529	0	28	-1.0	-45.01	291.81	1.65	-43.36
CC(C)(ONS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017942530	0	33	-1.0	-47.04	327.34	5.79	-41.25
COC(=O)C1=NC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C	REAL300017942531	0	37	-1.0	-48.25	331.26	3.03	-45.22
CC(C)(ONS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017942532	0	32	-1.0	-51.72	302.56	5.35	-46.37
CC(C)(ONS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300017942533	0	36	-1.0	-47.42	316.18	3.70	-43.72
CC(C)(ONS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300017942534	0	36	-1.0	-52.39	313.90	4.68	-47.71
CC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=NN1C(C)C	REAL300017942535	0	38	-1.0	-45.30	322.76	3.29	-42.01
CC(C)(ONS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300017942536	0	36	-1.0	-49.58	324.33	5.85	-43.73
CC(C)(ONS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300017942537	0	31	-1.0	-50.50	291.81	2.69	-47.81
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1	REAL300017942538	0	43	-1.0	-50.32	373.28	7.23	-43.09
CC(C)(ONS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300017942539	0	36	-1.0	-50.87	326.00	5.90	-44.97
CC(C)(ONS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300017942540	0	33	-1.0	-55.01	313.07	4.10	-50.91
CC(C)(ONC(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300017942541	0	31	-1.0	-55.20	275.24	7.07	-48.13
CC(C)(ONS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300017942542	0	32	-1.0	-52.63	298.91	4.55	-48.08
CC(C)(ONS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300017942544	0	36	-1.0	-52.03	319.25	5.86	-46.17
CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(Cl)=C1Cl	REAL300017942545	0	32	-1.0	-51.28	304.89	5.13	-46.15
CC(C)(ONS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300017942546	0	33	-1.0	-49.56	312.71	3.48	-46.08
CC(C)(ONS(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017942547	1	36	-1.0	-53.47	331.87	4.71	-48.76
COC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C(F)F)=C1	REAL300017942548	0	36	-1.0	-51.92	310.83	3.99	-47.93
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942549	0	35	-1.0	-45.87	325.93	2.35	-43.52
CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C2=NC=CC=C12	REAL300017942550	0	37	-1.0	-56.41	318.48	5.19	-51.22
CC(C)(ONC(=O)N1CC(OCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300017942551	0	41	-1.0	-57.79	347.70	7.82	-49.97
CC(C)(C)OC(=O)NC1CN(C(=O)NOC(C)(C)C(=O)[O-])C1	REAL300017942552	0	44	-1.0	-59.23	358.38	4.68	-54.55
CC(=O)OCC1CCN(C(=O)NOC(C)(C)C(=O)[O-])CC1	REAL300017942553	0	42	-1.0	-60.84	339.06	8.09	-52.75
CC1=CC=C(OC(C)C)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942555	0	42	-1.0	-52.16	353.91	5.66	-46.50
CC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C(Cl)S1	REAL300017942556	0	29	-1.0	-41.61	282.40	3.95	-37.66
CC(C)(ONS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300017942557	0	36	-1.0	-55.29	335.30	4.60	-50.69
CC(C)(ONS(=O)(=O)C1=C2CCCCN2N=C1)C(=O)[O-]	REAL300017942558	0	36	-1.0	-45.87	303.01	2.86	-43.01
CCN1C=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1C(=O)[O-]	REAL300017942559	0	46	-1.0	-54.22	367.32	2.83	-51.39
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942560	0	51	-1.0	-56.49	393.47	4.70	-51.79
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942561	0	52	-1.0	-58.18	395.14	5.28	-52.90
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942562	0	49	-1.0	-59.41	382.72	4.37	-55.04
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942563	0	42	-1.0	-49.56	341.10	2.65	-46.91
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC=C1Cl	REAL300017942564	0	42	-1.0	-51.90	351.79	3.00	-48.90
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942565	0	42	-1.0	-53.94	339.31	2.61	-51.33
CC1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1C(=O)[O-]	REAL300017942566	0	45	-1.0	-53.45	355.34	3.14	-50.31
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1	REAL300017942567	0	42	-1.0	-50.38	338.93	2.53	-47.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C1C	REAL300017942568	0	48	-1.0	-58.21	371.69	4.04	-54.17
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)S1	REAL300017942569	0	42	-1.0	-49.08	354.08	2.54	-46.54
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942570	0	45	-1.0	-57.10	354.15	3.49	-53.61
O=C([O-])C1=CSC(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942571	0	39	-1.0	-50.66	332.69	1.62	-49.04
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942572	0	48	-1.0	-56.70	371.23	4.37	-52.33
CN1C=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1C(=O)[O-]	REAL300017942573	0	43	-1.0	-53.50	345.94	1.95	-51.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942574	0	42	-1.0	-49.29	348.41	2.29	-47.00
CC1=C(C(=O)[O-])C(S(=O)(=O)NCC2CCCCC(O)C2)=C(C)O1	REAL300017942575	0	45	-1.0	-56.83	353.91	2.96	-53.87
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C(Cl)C=C1F	REAL300017942576	0	42	-1.0	-50.00	345.65	2.66	-47.34
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942577	0	45	-1.0	-50.29	348.71	3.35	-46.94
CCC1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1C(=O)[O-]	REAL300017942578	0	48	-1.0	-53.65	373.63	3.80	-49.85
CC1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC=C1C(=O)[O-]	REAL300017942579	0	45	-1.0	-49.30	354.43	3.11	-46.19
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1C(F)(F)F	REAL300017942580	0	45	-1.0	-48.72	368.53	3.38	-45.34
CC1=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C(C(=O)[O-])S1	REAL300017942581	0	42	-1.0	-55.77	348.49	2.54	-53.23
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942582	0	45	-1.0	-51.00	359.07	3.55	-47.45
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1	REAL300017942583	0	49	-1.0	-47.35	395.41	1.11	-46.24
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942584	0	50	-1.0	-55.79	391.36	3.71	-52.08
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942585	0	49	-1.0	-52.40	382.20	3.19	-49.21
COC1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1CC(=O)[O-]	REAL300017942586	0	49	-1.0	-54.02	389.78	2.74	-51.28
CC1=CC(C)=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1C(=O)[O-]	REAL300017942587	0	48	-1.0	-56.71	370.12	4.05	-52.66
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942588	0	46	-1.0	-58.67	363.74	1.44	-57.23
COC1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC(C(=O)[O-])=C1OC	REAL300017942589	0	50	-1.0	-55.91	397.64	2.42	-53.49
CCOC1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1C(=O)[O-]	REAL300017942590	0	49	-1.0	-60.44	388.42	3.58	-56.86
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CS1	REAL300017942591	0	39	-1.0	-52.65	330.94	1.63	-51.02
CC1=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C(C(=O)[O-])O1	REAL300017942592	0	42	-1.0	-54.55	344.05	1.71	-52.84
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC2=C1OCCO2	REAL300017942593	0	48	-1.0	-58.04	381.48	2.38	-55.66
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1Cl	REAL300017942594	0	46	-1.0	-50.01	385.52	3.39	-46.62
CC1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC=C1OCC(=O)[O-]	REAL300017942595	0	49	-1.0	-50.03	390.46	3.60	-46.43
CC1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC=C1OCCCC(=O)[O-]	REAL300017942596	0	55	-1.0	-50.98	432.91	4.53	-46.45
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC(Cl)=C1Cl	REAL300017942597	0	42	-1.0	-47.68	366.99	3.46	-44.22
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942598	0	42	-1.0	-45.26	356.34	3.10	-42.16
CC1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C(C)=C1C(=O)[O-]	REAL300017942599	0	48	-1.0	-53.74	373.15	4.09	-49.65
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942600	0	45	-1.0	-51.15	354.08	3.50	-47.65
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942601	0	42	-1.0	-48.61	345.72	2.67	-45.94
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C(Cl)=C1	REAL300017942602	0	42	-1.0	-46.78	341.08	2.63	-44.15
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1F	REAL300017942603	0	42	-1.0	-52.23	343.83	2.65	-49.58
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942604	0	45	-1.0	-51.64	367.79	3.93	-47.71
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC(Cl)=C1F	REAL300017942605	0	42	-1.0	-50.54	360.02	3.14	-47.40
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC(F)=C1Cl	REAL300017942606	0	42	-1.0	-47.56	357.67	3.05	-44.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C1F	REAL300017942607	0	45	-1.0	-49.68	357.84	3.00	-46.68
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C(Cl)C=C1Cl	REAL300017942608	0	42	-1.0	-47.23	353.58	3.02	-44.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942609	0	46	-1.0	-55.86	359.89	2.41	-53.45
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC=C1O	REAL300017942610	0	43	-1.0	-55.11	348.11	0.65	-54.46
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1	REAL300017942611	0	46	-1.0	-52.01	370.41	3.81	-48.20
O=C([O-])CCC1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1	REAL300017942612	0	48	-1.0	-49.38	383.08	4.18	-45.20
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942613	0	42	-1.0	-49.23	337.71	2.34	-46.89
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1	REAL300017942614	0	45	-1.0	-50.13	361.12	3.30	-46.83
COC1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1C(=O)[O-]	REAL300017942615	0	46	-1.0	-59.94	366.59	2.67	-57.27
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1	REAL300017942616	0	46	-1.0	-49.81	370.02	2.80	-47.01
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1F	REAL300017942617	0	46	-1.0	-51.94	375.71	2.91	-49.03
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C(F)=C1	REAL300017942618	0	42	-1.0	-46.83	337.69	2.35	-44.48
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1Cl	REAL300017942619	0	42	-1.0	-48.66	351.80	3.01	-45.65
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942620	0	45	-1.0	-55.57	357.12	2.98	-52.59
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1	REAL300017942621	0	50	-1.0	-50.28	402.69	3.93	-46.35
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942622	0	42	-1.0	-44.09	344.07	2.40	-41.69
CC1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC(C(=O)[O-])=C1C	REAL300017942623	0	48	-1.0	-54.06	372.18	3.68	-50.38
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942624	0	44	-1.0	-45.70	368.03	3.13	-42.57
COC1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C(Cl)C=C1C(=O)[O-]	REAL300017942625	0	46	-1.0	-51.76	368.33	2.69	-49.07
CC1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC(C(=O)[O-])=C1F	REAL300017942626	0	45	-1.0	-56.34	364.14	3.26	-53.08
CC1=CC(F)=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1C(=O)[O-]	REAL300017942627	0	45	-1.0	-48.93	353.77	2.87	-46.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C1Cl	REAL300017942628	0	45	-1.0	-50.22	359.64	3.24	-46.98
CC1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC(C(=O)[O-])=C1Cl	REAL300017942629	0	45	-1.0	-53.06	370.53	3.57	-49.49
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942630	0	45	-1.0	-45.79	366.06	3.80	-41.99
COC1=CC(Cl)=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1C(=O)[O-]	REAL300017942631	0	46	-1.0	-55.01	368.38	2.71	-52.30
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)C([N+](=O)[O-])=C1	REAL300017942632	0	44	-1.0	-44.85	356.73	4.10	-40.75
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCCCC(O)C2)S1	REAL300017942633	0	39	-1.0	-49.03	331.76	1.72	-47.31
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942634	0	45	-1.0	-52.72	361.47	3.38	-49.34
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC=C1[N+](=O)[O-]	REAL300017942635	0	44	-1.0	-61.70	365.84	3.70	-58.00
CC1=CC(C)=C(S(=O)(=O)NCC2CCCCC(O)C2)C(C)=C1CC(=O)[O-]	REAL300017942636	0	54	-1.0	-51.12	396.71	5.11	-46.01
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C1[N+](=O)[O-]	REAL300017942637	0	44	-1.0	-57.23	363.06	4.41	-52.82
CC(C)(C)C1=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C(C(=O)[O-])S1	REAL300017942638	0	51	-1.0	-51.10	389.59	4.32	-46.78
CC1=C(Cl)C=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1C(=O)[O-]	REAL300017942639	0	45	-1.0	-47.71	369.17	3.57	-44.14
CC1=C(F)C=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C1C(=O)[O-]	REAL300017942640	0	45	-1.0	-47.27	360.47	3.18	-44.09
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC2=CC=CC=C21	REAL300017942641	0	48	-1.0	-59.87	380.54	4.72	-55.15
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C(F)C(F)=C1F	REAL300017942642	0	42	-1.0	-45.14	348.38	2.41	-42.73
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942643	0	46	-1.0	-49.84	359.93	2.42	-47.42
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C1F	REAL300017942644	0	42	-1.0	-55.60	335.90	2.30	-53.30
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942646	0	46	-1.0	-51.78	368.36	1.67	-50.11
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942647	1	43	-1.0	-53.16	348.92	0.33	-52.83
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942648	0	41	-1.0	-49.55	336.05	0.59	-48.96
CC1=C(S(=O)(=O)NCC2CCCCC(O)C2)C(C(=O)[O-])=NN1	REAL300017942649	0	42	-1.0	-60.40	330.49	0.40	-60.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCCCC(O)C1	REAL300017942650	0	45	-1.0	-58.25	358.64	3.52	-54.73
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C(Cl)O1	REAL300017942651	0	39	-1.0	-47.37	331.42	1.18	-46.19
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NCC2CCCCC(O)C2)=C1F	REAL300017942652	0	42	-1.0	-56.91	340.43	2.33	-54.58
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC(F)=C1F	REAL300017942653	0	42	-1.0	-50.68	350.13	2.70	-47.98
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3CCCCC(O)C3)C=C2C1	REAL300017942654	0	49	-1.0	-53.61	384.95	4.49	-49.12
CCC1=C(S(=O)(=O)NCC2CCCCC(O)C2)C=C(C(=O)[O-])O1	REAL300017942655	0	45	-1.0	-54.09	363.68	2.51	-51.58
CCN1C=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1C(=O)[O-]	REAL300017942656	0	43	-1.0	-53.58	355.26	2.43	-51.15
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942657	0	48	-1.0	-55.50	381.41	4.39	-51.11
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942658	0	49	-1.0	-57.23	382.82	4.91	-52.32
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942659	0	46	-1.0	-57.60	370.16	4.13	-53.47
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942660	0	39	-1.0	-48.99	328.85	2.29	-46.70
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC=C1Cl	REAL300017942661	0	39	-1.0	-51.50	339.76	2.61	-48.89
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942662	0	39	-1.0	-53.50	327.27	2.22	-51.28
CC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1C(=O)[O-]	REAL300017942663	0	42	-1.0	-52.90	343.29	2.76	-50.14
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1	REAL300017942664	0	39	-1.0	-49.45	327.24	2.23	-47.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2(O)CCCC2)=C1C	REAL300017942665	0	45	-1.0	-57.15	358.87	3.64	-53.51
O=C([O-])CC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)S1	REAL300017942666	0	39	-1.0	-48.45	341.83	2.17	-46.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942667	0	42	-1.0	-56.01	341.88	3.13	-52.88
O=C([O-])C1=CSC(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942668	0	36	-1.0	-50.04	320.43	1.25	-48.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942669	0	45	-1.0	-55.76	358.75	4.08	-51.68
CN1C=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1C(=O)[O-]	REAL300017942670	0	40	-1.0	-52.06	333.91	1.58	-50.48
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942671	0	39	-1.0	-48.06	336.39	1.91	-46.15
CC1=C(C(=O)[O-])C(S(=O)(=O)NCCC2(O)CCCC2)=C(C)O1	REAL300017942672	0	42	-1.0	-53.66	341.66	2.60	-51.06
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=C(Cl)C=C1F	REAL300017942673	0	39	-1.0	-49.53	333.37	2.30	-47.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942674	0	42	-1.0	-49.12	336.37	2.99	-46.13
CCC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1C(=O)[O-]	REAL300017942675	0	45	-1.0	-52.90	361.19	3.41	-49.49
CC1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC=C1C(=O)[O-]	REAL300017942676	0	42	-1.0	-48.81	343.26	2.76	-46.05
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C(Br)=C1	REAL300017942677	0	39	-1.0	-45.41	343.64	2.97	-42.44
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1C(F)(F)F	REAL300017942678	0	42	-1.0	-48.14	357.37	3.02	-45.12
CC1=C(S(=O)(=O)NCCC2(O)CCCC2)C=C(C(=O)[O-])S1	REAL300017942679	0	39	-1.0	-54.69	336.21	2.18	-52.51
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942680	0	42	-1.0	-50.05	347.02	3.16	-46.89
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC=C1Br	REAL300017942681	0	39	-1.0	-50.71	343.49	2.71	-48.00
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1	REAL300017942682	0	46	-1.0	-46.96	383.71	0.81	-46.15
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942683	0	47	-1.0	-56.06	379.11	3.37	-52.69
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942684	0	46	-1.0	-51.81	369.95	2.85	-48.96
COC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1CC(=O)[O-]	REAL300017942685	0	46	-1.0	-52.83	377.71	2.35	-50.48
CC1=CC(C)=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1C(=O)[O-]	REAL300017942686	0	45	-1.0	-55.71	358.18	3.66	-52.05
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942687	0	43	-1.0	-57.61	351.54	1.07	-56.54
COC1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC(C(=O)[O-])=C1OC	REAL300017942688	0	47	-1.0	-54.72	385.54	2.03	-52.69
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)NCCC3(O)CCCC3)C=C2)C1	REAL300017942689	0	50	-1.0	-45.10	404.08	3.28	-41.82
CCOC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1C(=O)[O-]	REAL300017942690	0	46	-1.0	-58.67	376.38	3.20	-55.47
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=C(Br)S1	REAL300017942691	0	36	-1.0	-47.19	325.25	1.52	-45.67
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CS1	REAL300017942692	0	36	-1.0	-51.02	319.93	1.28	-49.74
CC1=C(S(=O)(=O)NCCC2(O)CCCC2)C=C(C(=O)[O-])O1	REAL300017942693	0	39	-1.0	-53.55	331.99	1.33	-52.22
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC2=C1OCCO2	REAL300017942694	0	45	-1.0	-57.00	369.42	1.99	-55.01
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1F	REAL300017942695	0	49	-1.0	-53.30	407.00	3.47	-49.83
O=C([O-])COC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1Cl	REAL300017942696	0	43	-1.0	-49.95	374.35	3.04	-46.91
CC1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC=C1OCC(=O)[O-]	REAL300017942697	0	46	-1.0	-49.58	378.40	3.21	-46.37
CC1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC=C1OCCCC(=O)[O-]	REAL300017942698	0	52	-1.0	-50.91	420.85	4.14	-46.77
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC(Cl)=C1Cl	REAL300017942699	0	39	-1.0	-46.23	354.93	3.07	-43.16
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942700	0	39	-1.0	-44.57	344.03	2.74	-41.83
O=C([O-])C1=CC(Br)=C(S(=O)(=O)NCCC2(O)CCCC2)S1	REAL300017942701	0	36	-1.0	-44.46	335.55	1.76	-42.70
CC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C(C)=C1C(=O)[O-]	REAL300017942702	0	45	-1.0	-52.72	361.19	3.63	-49.09
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942703	0	42	-1.0	-50.58	342.89	3.18	-47.40
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942704	0	39	-1.0	-48.01	348.55	2.83	-45.18
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942705	0	39	-1.0	-47.84	333.66	2.29	-45.55
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C(Cl)=C1	REAL300017942706	0	39	-1.0	-45.45	328.82	2.27	-43.18
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1F	REAL300017942707	0	39	-1.0	-51.36	331.78	2.26	-49.10
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942708	0	42	-1.0	-50.51	355.70	3.55	-46.96
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC(Cl)=C1F	REAL300017942709	0	39	-1.0	-49.17	347.97	2.75	-46.42
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC(F)=C1Cl	REAL300017942710	0	39	-1.0	-46.21	345.61	2.66	-43.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2(O)CCCC2)=C1F	REAL300017942711	0	42	-1.0	-49.21	345.70	2.63	-46.58
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=C(Cl)C=C1Cl	REAL300017942712	0	39	-1.0	-46.61	341.35	2.66	-43.95
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942713	0	43	-1.0	-55.92	347.65	2.08	-53.84
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC=C1O	REAL300017942714	0	40	-1.0	-54.64	336.05	0.27	-54.37
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1	REAL300017942715	0	43	-1.0	-51.53	358.70	3.52	-48.01
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942716	0	39	-1.0	-48.54	343.65	2.97	-45.57
O=C([O-])CCC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1	REAL300017942717	0	45	-1.0	-49.07	370.82	3.81	-45.26
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942718	0	39	-1.0	-48.85	325.46	2.00	-46.85
O=C([O-])CC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1	REAL300017942719	0	42	-1.0	-49.71	349.42	3.01	-46.70
COC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1C(=O)[O-]	REAL300017942720	0	43	-1.0	-58.23	354.54	2.29	-55.94
O=C([O-])COC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1	REAL300017942721	0	43	-1.0	-49.37	358.32	2.51	-46.86
O=C([O-])COC1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1F	REAL300017942722	0	43	-1.0	-51.94	364.54	2.57	-49.37
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C(F)=C1	REAL300017942723	0	39	-1.0	-45.49	325.44	2.01	-43.48
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1Cl	REAL300017942724	0	39	-1.0	-47.77	339.75	2.62	-45.15
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942725	0	42	-1.0	-52.85	345.08	2.63	-50.22
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1	REAL300017942726	0	47	-1.0	-50.03	391.00	3.63	-46.40
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942727	0	39	-1.0	-43.43	331.76	2.06	-41.37
CC1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC(C(=O)[O-])=C1C	REAL300017942728	0	45	-1.0	-55.29	364.75	3.42	-51.87
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942729	0	41	-1.0	-46.13	356.47	2.93	-43.20
COC1=CC(S(=O)(=O)NCCC2(O)CCCC2)=C(Cl)C=C1C(=O)[O-]	REAL300017942730	0	43	-1.0	-50.38	356.08	2.33	-48.05
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1Br	REAL300017942731	0	39	-1.0	-46.88	343.49	2.72	-44.16
CC1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC(C(=O)[O-])=C1F	REAL300017942732	0	42	-1.0	-54.81	352.09	2.87	-51.94
CC1=CC(F)=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1C(=O)[O-]	REAL300017942733	0	42	-1.0	-50.09	345.30	2.63	-47.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2(O)CCCC2)=C1Cl	REAL300017942734	0	42	-1.0	-49.64	347.48	2.85	-46.79
CC1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC(C(=O)[O-])=C1Cl	REAL300017942735	0	42	-1.0	-51.44	358.47	3.19	-48.25
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942736	0	42	-1.0	-44.61	353.20	3.50	-41.11
COC1=CC(Cl)=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1C(=O)[O-]	REAL300017942737	0	43	-1.0	-54.52	356.09	2.34	-52.18
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C(OC(F)(F)F)=C1	REAL300017942738	0	43	-1.0	-45.95	363.99	2.57	-43.38
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)C([N+](=O)[O-])=C1	REAL300017942739	0	41	-1.0	-43.72	344.58	3.71	-40.01
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2(O)CCCC2)S1	REAL300017942740	0	36	-1.0	-47.83	319.52	1.35	-46.48
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942741	0	42	-1.0	-52.68	349.42	3.00	-49.68
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC=C1[N+](=O)[O-]	REAL300017942742	0	41	-1.0	-60.30	353.82	3.31	-56.99
CC1=CC(C)=C(S(=O)(=O)NCCC2(O)CCCC2)C(C)=C1CC(=O)[O-]	REAL300017942743	0	51	-1.0	-53.58	387.96	4.88	-48.70
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2(O)CCCC2)=C1[N+](=O)[O-]	REAL300017942744	0	41	-1.0	-56.22	350.70	4.01	-52.21
CC(C)(C)C1=C(S(=O)(=O)NCCC2(O)CCCC2)C=C(C(=O)[O-])S1	REAL300017942745	0	48	-1.0	-48.67	376.96	3.94	-44.73
CC1=C(Cl)C=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1C(=O)[O-]	REAL300017942746	0	42	-1.0	-47.86	361.03	3.29	-44.57
CC1=C(F)C=C(S(=O)(=O)NCCC2(O)CCCC2)C=C1C(=O)[O-]	REAL300017942747	0	42	-1.0	-47.37	352.21	2.90	-44.47
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC2=CC=CC=C21	REAL300017942748	0	45	-1.0	-57.94	368.29	4.35	-53.59
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=C(F)C(F)=C1F	REAL300017942749	0	39	-1.0	-44.54	336.14	2.08	-42.46
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NCCC2(O)CCCC2)=C1OC	REAL300017942750	0	50	-1.0	-48.55	396.91	2.80	-45.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942751	0	43	-1.0	-48.86	347.67	2.08	-46.78
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2(O)CCCC2)=C1F	REAL300017942752	0	39	-1.0	-52.91	323.60	1.96	-50.95
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942754	0	43	-1.0	-49.72	348.42	1.24	-48.48
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942755	1	40	-1.0	-52.03	336.73	-0.07	-52.10
O=C([O-])C1=CC=NC(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942756	0	38	-1.0	-47.71	323.47	0.34	-47.37
CC1=C(S(=O)(=O)NCCC2(O)CCCC2)C(C(=O)[O-])=NN1	REAL300017942757	0	39	-1.0	-59.12	320.19	0.13	-58.99
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1(O)CCCC1	REAL300017942758	0	42	-1.0	-57.29	346.40	3.16	-54.13
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=C(Cl)O1	REAL300017942759	0	36	-1.0	-46.46	318.78	0.85	-45.61
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC=C1OC(F)(F)F	REAL300017942760	0	43	-1.0	-51.40	371.04	2.77	-48.63
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NCCC2(O)CCCC2)=C1F	REAL300017942761	0	39	-1.0	-54.32	328.16	1.99	-52.33
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC(F)=C1F	REAL300017942762	0	39	-1.0	-49.39	338.08	2.31	-47.08
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCCC3(O)CCCC3)C=C2C1	REAL300017942763	0	46	-1.0	-53.20	372.70	4.11	-49.09
CCC1=C(S(=O)(=O)NCCC2(O)CCCC2)C=C(C(=O)[O-])O1	REAL300017942764	0	42	-1.0	-53.14	351.37	2.22	-50.92
CCN1C=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1C(=O)[O-]	REAL300017942765	0	42	-1.0	-57.05	379.33	3.96	-53.09
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942766	0	45	-1.0	-59.28	394.23	5.66	-53.62
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942767	0	38	-1.0	-51.59	352.92	3.81	-47.78
O=C([O-])C1=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=CC=C1Cl	REAL300017942768	0	38	-1.0	-52.92	363.82	4.14	-48.78
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942769	0	38	-1.0	-57.10	351.32	3.75	-53.35
CC1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1C(=O)[O-]	REAL300017942770	0	41	-1.0	-54.09	367.34	4.28	-49.81
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1	REAL300017942771	0	38	-1.0	-52.62	351.28	3.76	-48.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1C	REAL300017942772	0	44	-1.0	-58.87	382.91	5.19	-53.68
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)S1	REAL300017942773	0	38	-1.0	-50.98	365.90	3.70	-47.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=C(C2=CC=CC=C2)O1	REAL300017942774	0	41	-1.0	-57.96	365.95	4.66	-53.30
O=C([O-])C1=CSC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942775	0	35	-1.0	-53.19	344.50	2.77	-50.42
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=C(C2=CC=CC=C2)O1	REAL300017942776	0	44	-1.0	-57.68	383.06	5.55	-52.13
CN1C=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1C(=O)[O-]	REAL300017942777	0	39	-1.0	-56.28	357.96	3.09	-53.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942778	0	38	-1.0	-50.46	360.46	3.44	-47.02
CC1=C(C(=O)[O-])C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C(C)O1	REAL300017942779	0	41	-1.0	-55.91	365.73	4.12	-51.79
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=CN=C(C2=CC=CC=C2)O1	REAL300017942780	0	41	-1.0	-52.25	360.54	4.52	-47.73
CCC1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1C(=O)[O-]	REAL300017942781	0	44	-1.0	-53.99	385.56	4.94	-49.05
CC1=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=CC=C1C(=O)[O-]	REAL300017942782	0	41	-1.0	-51.78	367.32	4.29	-47.49
CC1=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C(C(=O)[O-])S1	REAL300017942783	0	38	-1.0	-56.68	360.21	3.71	-52.97
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=C(C2=CC=CC=C2)O1	REAL300017942784	0	41	-1.0	-52.04	371.08	4.69	-47.35
CC1=CC(C)=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1C(=O)[O-]	REAL300017942785	0	44	-1.0	-57.72	382.24	5.20	-52.52
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=C(C2=CC=CC=C2)O1	REAL300017942786	0	42	-1.0	-59.35	375.61	2.59	-56.76
O=C([O-])C1=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=CS1	REAL300017942787	0	35	-1.0	-55.46	342.97	2.77	-52.69
CC1=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C(C(=O)[O-])O1	REAL300017942788	0	38	-1.0	-55.51	356.06	2.86	-52.65
CC1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C(C)=C1C(=O)[O-]	REAL300017942789	0	44	-1.0	-56.06	385.12	5.15	-50.91
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=CN=C(C2=CC=CC=C2)O1	REAL300017942790	0	41	-1.0	-52.78	365.93	4.66	-48.12
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942791	0	38	-1.0	-51.38	357.73	3.82	-47.56
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C(Cl)=C1	REAL300017942792	0	38	-1.0	-47.79	352.89	3.80	-43.99
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1F	REAL300017942793	0	38	-1.0	-54.90	355.83	3.79	-51.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1F	REAL300017942794	0	41	-1.0	-51.95	369.77	4.14	-47.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=C(C2=CC=CC=C2)O1	REAL300017942795	0	42	-1.0	-58.25	371.70	3.57	-54.68
O=C([O-])C1=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=CC=C1O	REAL300017942796	0	39	-1.0	-55.90	360.11	1.80	-54.10
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1	REAL300017942797	0	42	-1.0	-54.89	382.75	5.04	-49.85
O=C([O-])CCC1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1	REAL300017942798	0	44	-1.0	-52.26	394.87	5.34	-46.92
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942799	0	38	-1.0	-51.74	349.53	3.51	-48.23
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1	REAL300017942800	0	41	-1.0	-52.64	373.47	4.53	-48.11
COC1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1C(=O)[O-]	REAL300017942801	0	42	-1.0	-60.26	378.61	3.82	-56.44
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1	REAL300017942802	0	42	-1.0	-52.60	382.37	4.03	-48.57
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C(F)=C1	REAL300017942803	0	38	-1.0	-48.08	349.51	3.51	-44.57
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1Cl	REAL300017942804	0	38	-1.0	-51.11	363.80	4.15	-46.96
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942805	0	41	-1.0	-54.42	369.16	4.14	-50.28
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942806	0	38	-1.0	-46.14	355.81	3.57	-42.57
CC1=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=CC(C(=O)[O-])=C1C	REAL300017942807	0	44	-1.0	-56.86	384.19	4.82	-52.04
CC1=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=CC(C(=O)[O-])=C1F	REAL300017942808	0	41	-1.0	-56.74	376.15	4.40	-52.34
CC1=CC(F)=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1C(=O)[O-]	REAL300017942809	0	41	-1.0	-51.23	365.61	4.04	-47.19
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)S1	REAL300017942810	0	35	-1.0	-50.40	343.58	2.88	-47.52
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942811	0	41	-1.0	-55.80	373.49	4.52	-51.28
CC1=C(F)C=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C1C(=O)[O-]	REAL300017942812	0	41	-1.0	-49.52	376.28	4.43	-45.09
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=CN=C(C2=CC=CC=C2)O1	REAL300017942813	0	42	-1.0	-51.23	371.74	3.57	-47.66
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1F	REAL300017942814	0	38	-1.0	-54.61	347.67	3.47	-51.14
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942815	0	42	-1.0	-54.38	380.03	2.87	-51.51
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942816	1	39	-1.0	-54.34	360.70	1.49	-52.85
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942817	0	37	-1.0	-49.89	347.53	1.87	-48.02
CC1=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C(C(=O)[O-])=NN1	REAL300017942818	0	38	-1.0	-62.34	344.24	1.65	-60.69
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CN=C(C2=CC=CC=C2)O1	REAL300017942819	0	41	-1.0	-59.22	370.46	4.69	-54.53
O=C([O-])C1=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C(Cl)O1	REAL300017942820	0	35	-1.0	-48.56	342.83	2.36	-46.20
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1F	REAL300017942821	0	38	-1.0	-55.92	352.23	3.50	-52.42
O=C([O-])C1=CC(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=CC(F)=C1F	REAL300017942822	0	38	-1.0	-51.74	362.15	3.84	-47.90
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3=CN=C(C4=CC=CC=C4)O3)C=C2C1	REAL300017942823	0	45	-1.0	-55.94	396.76	5.65	-50.29
CCC1=C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)C=C(C(=O)[O-])O1	REAL300017942824	0	41	-1.0	-54.95	375.66	3.67	-51.28
CCN1C=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1C(=O)[O-]	REAL300017942825	0	41	-1.0	-61.24	369.32	3.37	-57.87
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942826	0	44	-1.0	-68.56	384.23	5.07	-63.49
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942827	0	37	-1.0	-57.97	342.91	3.22	-54.75
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=CC=C1Cl	REAL300017942828	0	37	-1.0	-59.30	353.82	3.55	-55.75
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942829	0	37	-1.0	-61.32	341.31	3.16	-58.16
CC1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1C(=O)[O-]	REAL300017942830	0	40	-1.0	-60.65	357.35	3.70	-56.95
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1	REAL300017942831	0	37	-1.0	-57.68	341.29	3.17	-54.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1C	REAL300017942832	0	43	-1.0	-67.67	372.90	4.60	-63.07
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)S1	REAL300017942833	0	37	-1.0	-58.29	355.89	3.11	-55.18
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=C2C=CC(=O)NC2=N1	REAL300017942834	0	40	-1.0	-66.74	355.95	4.07	-62.67
O=C([O-])C1=CSC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942835	0	34	-1.0	-57.95	334.50	2.19	-55.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=C2C=CC(=O)NC2=N1	REAL300017942836	0	43	-1.0	-66.64	373.04	4.96	-61.68
CN1C=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1C(=O)[O-]	REAL300017942837	0	38	-1.0	-60.56	347.95	2.51	-58.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942838	0	37	-1.0	-56.49	350.45	2.85	-53.64
CC1=C(C(=O)[O-])C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C(C)O1	REAL300017942839	0	40	-1.0	-65.25	355.72	3.53	-61.72
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=CC=C2C=CC(=O)NC2=N1	REAL300017942840	0	40	-1.0	-55.44	350.53	3.93	-51.51
CCC1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1C(=O)[O-]	REAL300017942841	0	43	-1.0	-60.68	375.25	4.35	-56.33
CC1=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=CC=C1C(=O)[O-]	REAL300017942842	0	40	-1.0	-56.98	357.31	3.71	-53.27
CC1=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C(C(=O)[O-])S1	REAL300017942843	0	37	-1.0	-64.92	350.21	3.12	-61.80
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=C2C=CC(=O)NC2=N1	REAL300017942844	0	40	-1.0	-59.90	361.08	4.11	-55.79
CC1=CC(C)=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1C(=O)[O-]	REAL300017942845	0	43	-1.0	-66.80	372.23	4.61	-62.19
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=C2C=CC(=O)NC2=N1	REAL300017942846	0	41	-1.0	-67.54	364.70	2.13	-65.41
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=CS1	REAL300017942847	0	34	-1.0	-59.96	332.96	2.18	-57.78
CC1=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C(C(=O)[O-])O1	REAL300017942848	0	37	-1.0	-63.06	346.00	2.28	-60.78
CC1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C(C)=C1C(=O)[O-]	REAL300017942849	0	43	-1.0	-59.02	375.25	4.57	-54.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=CC=C2C=CC(=O)NC2=N1	REAL300017942850	0	40	-1.0	-58.59	355.92	4.07	-54.52
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942851	0	37	-1.0	-55.70	347.72	3.23	-52.47
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C(Cl)=C1	REAL300017942852	0	37	-1.0	-53.57	342.88	3.21	-50.36
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1F	REAL300017942853	0	37	-1.0	-59.56	345.82	3.20	-56.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1F	REAL300017942854	0	40	-1.0	-58.23	359.76	3.54	-54.69
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=C2C=CC(=O)NC2=N1	REAL300017942855	0	41	-1.0	-64.55	361.71	2.98	-61.57
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=CC=C1O	REAL300017942856	0	38	-1.0	-62.19	350.11	1.21	-60.98
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1	REAL300017942857	0	41	-1.0	-60.61	372.76	4.46	-56.15
O=C([O-])CCC1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1	REAL300017942858	0	43	-1.0	-58.29	384.88	4.75	-53.54
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942859	0	37	-1.0	-58.05	339.53	2.91	-55.14
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1	REAL300017942860	0	40	-1.0	-59.10	363.48	3.95	-55.15
COC1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1C(=O)[O-]	REAL300017942861	0	41	-1.0	-67.26	368.60	3.23	-64.03
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1	REAL300017942862	0	41	-1.0	-58.16	372.38	3.45	-54.71
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C(F)=C1	REAL300017942863	0	37	-1.0	-53.72	339.50	2.92	-50.80
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1Cl	REAL300017942864	0	37	-1.0	-56.01	353.80	3.56	-52.45
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942865	0	40	-1.0	-60.17	359.16	3.56	-56.61
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942866	0	37	-1.0	-52.19	345.81	2.97	-49.22
CC1=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=CC(C(=O)[O-])=C1C	REAL300017942867	0	43	-1.0	-61.11	374.19	4.23	-56.88
CC1=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=CC(C(=O)[O-])=C1F	REAL300017942868	0	40	-1.0	-63.56	366.15	3.81	-59.75
CC1=CC(F)=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1C(=O)[O-]	REAL300017942869	0	40	-1.0	-57.60	355.60	3.45	-54.15
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)S1	REAL300017942870	0	34	-1.0	-56.28	333.58	2.29	-53.99
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942871	0	40	-1.0	-61.89	363.48	3.94	-57.95
CC1=C(F)C=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C1C(=O)[O-]	REAL300017942872	0	40	-1.0	-56.00	366.25	3.84	-52.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=CC=C2C=CC(=O)NC2=N1	REAL300017942873	0	41	-1.0	-56.94	361.73	2.99	-53.95
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1F	REAL300017942874	0	37	-1.0	-60.40	337.76	2.88	-57.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942875	0	41	-1.0	-56.78	370.02	2.28	-54.50
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942876	1	38	-1.0	-61.98	350.70	0.89	-61.09
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942877	0	36	-1.0	-56.47	337.52	1.29	-55.18
CC1=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C(C(=O)[O-])=NN1	REAL300017942878	0	37	-1.0	-66.48	334.24	1.07	-65.41
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=C2C=CC(=O)NC2=N1	REAL300017942879	0	40	-1.0	-67.79	360.45	4.12	-63.67
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C(Cl)O1	REAL300017942880	0	34	-1.0	-54.40	332.82	1.77	-52.63
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1F	REAL300017942881	0	37	-1.0	-61.52	342.27	2.91	-58.61
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=CC(F)=C1F	REAL300017942882	0	37	-1.0	-58.04	352.13	3.25	-54.79
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3=CC=C4C=CC(=O)NC4=N3)C=C2C1	REAL300017942883	0	44	-1.0	-63.50	386.76	5.05	-58.45
CCC1=C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)C=C(C(=O)[O-])O1	REAL300017942884	0	40	-1.0	-62.52	365.52	3.07	-59.45
CCN1C=C(S(=O)(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)C=C1C(=O)[O-]	REAL300017942885	0	51	-1.0	-55.81	418.43	5.77	-50.04
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017942886	0	47	-1.0	-59.62	391.34	5.20	-54.42
CC1=CC=C(S(=O)(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)C=C1C(=O)[O-]	REAL300017942887	0	50	-1.0	-59.03	406.14	6.07	-52.96
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017942888	0	47	-1.0	-53.76	389.99	5.55	-48.21
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2	REAL300017942889	0	50	-1.0	-61.86	405.12	6.41	-55.45
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017942890	0	44	-1.0	-55.70	383.65	4.53	-51.17
CN1C=C(S(=O)(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)C=C1C(=O)[O-]	REAL300017942891	0	48	-1.0	-58.38	397.06	4.90	-53.48
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2	REAL300017942892	0	50	-1.0	-52.86	400.38	6.24	-46.62
CC1=CC(S(=O)(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)=CC=C1C(=O)[O-]	REAL300017942893	0	50	-1.0	-54.60	411.08	5.83	-48.77
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017942894	0	44	-1.0	-57.53	383.28	4.23	-53.30
CC1=C(S(=O)(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)C=C(C(=O)[O-])O1	REAL300017942895	0	47	-1.0	-57.03	395.11	4.68	-52.35
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2	REAL300017942896	0	50	-1.0	-54.43	405.02	6.42	-48.01
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017942897	0	48	-1.0	-60.58	398.69	3.57	-57.01
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017942898	0	50	-1.0	-55.48	412.20	6.32	-49.16
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017942899	0	44	-1.0	-51.71	382.69	4.67	-47.04
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017942900	0	50	-1.0	-59.51	413.51	5.98	-53.53
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017942901	1	48	-1.0	-57.44	399.87	3.24	-54.20
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017942902	0	46	-1.0	-53.83	386.71	3.62	-50.21
CC1=C(S(=O)(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)OC(C)(C)C)C3)C(C(=O)[O-])=NN1	REAL300017942903	0	47	-1.0	-63.69	380.92	3.26	-60.43
CCN1C=C(S(=O)(=O)NC23CCC(OC)(CC2)C3)C=C1C(=O)[O-]	REAL300017942904	0	44	-1.0	-52.61	350.73	3.55	-49.06
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C(C)C)(CC1)C2	REAL300017942905	0	49	-1.0	-54.66	378.31	5.63	-49.03
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCCC4)(CC1)C2	REAL300017942906	0	50	-1.0	-56.17	381.12	6.17	-50.00
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)(CC1)C2	REAL300017942907	0	47	-1.0	-56.61	368.40	5.45	-51.16
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)(CC1)C2	REAL300017942908	0	40	-1.0	-47.66	339.66	4.21	-43.45
COC12CCC(NS(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942909	0	40	-1.0	-49.76	334.92	3.85	-45.91
COC12CCC(NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)(CC1)C2	REAL300017942910	0	40	-1.0	-52.88	322.07	3.42	-49.46
COC12CCC(NS(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942911	0	43	-1.0	-51.01	338.08	3.96	-47.05
COC12CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)(CC1)C2	REAL300017942912	0	40	-1.0	-47.97	322.05	3.43	-44.54
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3C)(CC1)C2	REAL300017942913	0	46	-1.0	-56.81	360.16	5.03	-51.78
COC12CCC(NS(=O)(=O)C3=CC=C(CC(=O)[O-])S3)(CC1)C2	REAL300017942914	0	40	-1.0	-47.14	336.60	3.30	-43.84
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3C)(CC1)C2	REAL300017942915	0	43	-1.0	-55.57	342.33	4.44	-51.13
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CS3)(CC1)C2	REAL300017942916	0	37	-1.0	-49.65	315.08	2.38	-47.27
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC12CCC(OC)(CC1)C2	REAL300017942917	0	46	-1.0	-54.76	357.81	5.35	-49.41
COC12CCC(NS(=O)(=O)C3=CN(C)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942918	0	41	-1.0	-51.83	329.23	2.68	-49.15
COC12CCC(NS(=O)(=O)C3=CC(C)=C(C(=O)[O-])S3)(CC1)C2	REAL300017942919	0	40	-1.0	-47.19	331.01	3.03	-44.16
COC12CCC(NS(=O)(=O)C3=C(C)OC(C)=C3C(=O)[O-])(CC1)C2	REAL300017942920	0	43	-1.0	-52.52	332.94	3.65	-48.87
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3Cl)(CC1)C2	REAL300017942921	0	40	-1.0	-48.19	344.07	4.23	-43.96
COC12CCC(NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3C)(CC1)C2	REAL300017942922	0	43	-1.0	-49.19	334.77	4.28	-44.91
CCC1=CC=C(S(=O)(=O)NC23CCC(OC)(CC2)C3)C=C1C(=O)[O-]	REAL300017942923	0	46	-1.0	-52.36	356.65	4.64	-47.72
COC12CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C)=C3)(CC1)C2	REAL300017942924	0	43	-1.0	-47.19	338.42	4.00	-43.19
COC12CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(F)(F)F)=C3)(CC1)C2	REAL300017942925	0	43	-1.0	-46.62	352.52	4.27	-42.35
COC12CCC(NS(=O)(=O)C3=C(C)SC(C(=O)[O-])=C3)(CC1)C2	REAL300017942926	0	40	-1.0	-53.94	336.60	3.51	-50.43
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3C)(CC1)C2	REAL300017942927	0	43	-1.0	-49.47	347.67	4.47	-45.00
COC12CCC(NS(=O)(=O)C3=CC=C(C(=O)NCC(=O)[O-])C=C3)(CC1)C2	REAL300017942928	0	47	-1.0	-44.81	378.87	2.04	-42.77
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC12CCC(OC)(CC1)C2	REAL300017942929	0	48	-1.0	-53.61	386.04	4.71	-48.90
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC12CCC(OC)(CC1)C2	REAL300017942930	0	47	-1.0	-50.03	376.90	4.17	-45.86
COC1=CC=C(S(=O)(=O)NC23CCC(OC)(CC2)C3)C=C1CC(=O)[O-]	REAL300017942931	0	47	-1.0	-54.25	372.54	3.56	-50.69
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3C)(CC1)C2	REAL300017942932	0	46	-1.0	-54.66	355.95	4.93	-49.73
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=C(O)C=C3C)(CC1)C2	REAL300017942933	0	44	-1.0	-56.58	349.82	2.56	-54.02
COC1=CC(S(=O)(=O)NC23CCC(OC)(CC2)C3)=CC(C(=O)[O-])=C1OC	REAL300017942934	0	48	-1.0	-53.44	380.43	3.25	-50.19
CCOC1=CC=C(S(=O)(=O)NC23CCC(OC)(CC2)C3)C=C1C(=O)[O-]	REAL300017942935	0	47	-1.0	-59.01	371.54	4.43	-54.58
COC12CCC(NS(=O)(=O)C3=CSC(C(=O)[O-])=C3)(CC1)C2	REAL300017942936	0	37	-1.0	-50.12	314.27	2.48	-47.64
COC12CCC(NS(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)(CC1)C2	REAL300017942937	0	40	-1.0	-52.44	330.02	2.76	-49.68
COC12CCC(NS(=O)(=O)C3=CC4=C(OCCO4)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942938	0	46	-1.0	-56.45	364.57	3.23	-53.22
COC12CCC(NS(=O)(=O)C3=CC=C(OCC(=O)[O-])C(Cl)=C3)(CC1)C2	REAL300017942939	0	44	-1.0	-48.07	369.22	4.25	-43.82
COC12CCC(NS(=O)(=O)C3=CC=C(OCC(=O)[O-])C(C)=C3)(CC1)C2	REAL300017942940	0	47	-1.0	-47.92	373.18	4.41	-43.51
COC12CCC(NS(=O)(=O)C3=CC=C(OCCCC(=O)[O-])C(C)=C3)(CC1)C2	REAL300017942941	0	53	-1.0	-49.12	415.62	5.34	-43.78
COC12CCC(NS(=O)(=O)C3=CC(Cl)=C(Cl)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942942	0	40	-1.0	-45.19	349.79	4.28	-40.91
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3Cl)(CC1)C2	REAL300017942943	0	40	-1.0	-43.34	354.66	4.64	-38.70
COC12CCC(NS(=O)(=O)C3=CC=C(C)C(C(=O)[O-])=C3C)(CC1)C2	REAL300017942944	0	46	-1.0	-52.74	358.42	5.00	-47.74
COC12CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3C)(CC1)C2	REAL300017942945	0	43	-1.0	-48.80	341.19	4.51	-44.29
COC12CCC(NS(=O)(=O)C3=CC(F)=CC(C(=O)[O-])=C3)(CC1)C2	REAL300017942946	0	40	-1.0	-46.82	328.52	3.49	-43.33
COC12CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3Cl)(CC1)C2	REAL300017942947	0	40	-1.0	-44.36	339.50	4.19	-40.17
COC12CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)(CC1)C2	REAL300017942948	0	40	-1.0	-49.84	326.62	3.46	-46.38
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(Cl)=C3C)(CC1)C2	REAL300017942949	0	43	-1.0	-50.10	356.43	4.86	-45.24
COC12CCC(NS(=O)(=O)C3=CC(Cl)=C(F)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942950	0	40	-1.0	-48.11	342.83	3.96	-44.15
COC12CCC(NS(=O)(=O)C3=CC(F)=C(Cl)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942951	0	40	-1.0	-45.10	340.48	3.87	-41.23
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3F)(CC1)C2	REAL300017942952	0	43	-1.0	-47.69	352.30	4.33	-43.36
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)C=C3Cl)(CC1)C2	REAL300017942953	0	40	-1.0	-45.30	352.05	4.58	-40.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC12CCC(OC)(CC1)C2	REAL300017942954	0	44	-1.0	-53.87	354.57	3.40	-50.47
COC12CCC(NS(=O)(=O)C3=CC=C(O)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942955	0	41	-1.0	-52.94	330.87	1.47	-51.47
COC12CCC(NS(=O)(=O)C3=CC=C(C=CC(=O)[O-])C=C3)(CC1)C2	REAL300017942956	0	44	-1.0	-49.65	353.86	4.75	-44.90
COC12CCC(NS(=O)(=O)C3=CC=C(CCC(=O)[O-])C=C3)(CC1)C2	REAL300017942957	0	46	-1.0	-47.37	365.63	5.02	-42.35
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)(CC1)C2	REAL300017942958	0	40	-1.0	-47.23	331.98	3.69	-43.54
COC12CCC(NS(=O)(=O)C3=CC=C(CC(=O)[O-])C=C3)(CC1)C2	REAL300017942959	0	43	-1.0	-47.91	344.23	4.21	-43.70
COC1=CC=C(S(=O)(=O)NC23CCC(OC)(CC2)C3)C=C1C(=O)[O-]	REAL300017942960	0	44	-1.0	-58.64	349.34	3.49	-55.15
COC12CCC(NS(=O)(=O)C3=CC=C(OCC(=O)[O-])C=C3)(CC1)C2	REAL300017942961	0	44	-1.0	-47.56	353.15	3.71	-43.85
COC12CCC(NS(=O)(=O)C3=CC=C(OCC(=O)[O-])C(F)=C3)(CC1)C2	REAL300017942962	0	44	-1.0	-50.00	359.41	3.77	-46.23
COC12CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)(CC1)C2	REAL300017942963	0	40	-1.0	-44.68	332.04	3.70	-40.98
COC12CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C(Cl)=C3)(CC1)C2	REAL300017942964	0	40	-1.0	-46.28	334.59	3.83	-42.45
COC12CCC(NS(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3F)(CC1)C2	REAL300017942965	0	43	-1.0	-54.19	351.54	4.31	-49.88
COC12CCC(NS(=O)(=O)C3=CC=C(C(=O)CCC(=O)[O-])C=C3)(CC1)C2	REAL300017942966	0	48	-1.0	-47.91	386.14	4.86	-43.05
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)(CC1)C2	REAL300017942967	0	40	-1.0	-41.96	338.34	3.75	-38.21
COC12CCC(NS(=O)(=O)C3=CC(C)=C(C)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942968	0	46	-1.0	-53.30	354.98	4.49	-48.81
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC([N+](=O)[O-])=C3)(CC1)C2	REAL300017942969	0	42	-1.0	-43.59	350.31	4.10	-39.49
COC1=CC(S(=O)(=O)NC23CCC(OC)(CC2)C3)=C(Cl)C=C1C(=O)[O-]	REAL300017942970	0	44	-1.0	-49.48	366.74	4.26	-45.22
COC12CCC(NS(=O)(=O)C3=CC(C)=C(F)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942971	0	43	-1.0	-53.86	346.90	4.08	-49.78
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=C(C)C=C3F)(CC1)C2	REAL300017942972	0	43	-1.0	-46.74	347.77	4.22	-42.52
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C)=C3Cl)(CC1)C2	REAL300017942973	0	43	-1.0	-48.35	358.23	4.77	-43.58
COC12CCC(NS(=O)(=O)C3=CC(C)=C(Cl)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942974	0	43	-1.0	-50.44	353.28	4.39	-46.05
COC12CCC(NS(=O)(=O)C3=CC(Cl)=CC(C(=O)[O-])=C3C)(CC1)C2	REAL300017942975	0	43	-1.0	-44.45	353.53	4.80	-39.65
COC1=CC(Cl)=C(S(=O)(=O)NC23CCC(OC)(CC2)C3)C=C1C(=O)[O-]	REAL300017942976	0	44	-1.0	-53.20	366.80	4.27	-48.93
COC12CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3[N+](=O)[O-])(CC1)C2	REAL300017942977	0	42	-1.0	-43.49	346.43	5.10	-38.39
COC12CCC(NS(=O)(=O)C3=CC=C(C(=O)[O-])S3)(CC1)C2	REAL300017942978	0	37	-1.0	-47.00	314.16	2.48	-44.52
COC12CCC(NS(=O)(=O)C3=CC=CC(CC(=O)[O-])=C3)(CC1)C2	REAL300017942979	0	43	-1.0	-50.39	344.19	4.20	-46.19
COC12CCC(NS(=O)(=O)C3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)(CC1)C2	REAL300017942980	0	42	-1.0	-54.00	346.63	4.56	-49.44
COC12CCC(NS(=O)(=O)C3=C(C)C=C(C)C(CC(=O)[O-])=C3C)(CC1)C2	REAL300017942981	0	52	-1.0	-48.09	380.36	6.01	-42.08
COC12CCC(NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3[N+](=O)[O-])(CC1)C2	REAL300017942982	0	42	-1.0	-57.27	349.63	5.41	-51.86
COC12CCC(NS(=O)(=O)C3=C(C(C)(C)C)SC(C(=O)[O-])=C3)(CC1)C2	REAL300017942983	0	49	-1.0	-49.87	375.97	5.33	-44.54
COC12CCC(NS(=O)(=O)C3=CC(Cl)=C(C)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942984	0	43	-1.0	-45.58	351.94	4.39	-41.19
COC12CCC(NS(=O)(=O)C3=CC(F)=C(C)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942985	0	43	-1.0	-46.13	347.10	4.10	-42.03
COC12CCC(NS(=O)(=O)C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)(CC1)C2	REAL300017942986	0	46	-1.0	-57.04	363.04	5.55	-51.49
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=C(F)C(F)=C3F)(CC1)C2	REAL300017942987	0	40	-1.0	-42.94	342.73	3.77	-39.17
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC23CCC(OC)(CC2)C3)=C1OC	REAL300017942988	0	51	-1.0	-47.72	406.25	4.23	-43.49
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC12CCC(OC)(CC1)C2	REAL300017942989	0	44	-1.0	-47.85	354.28	3.36	-44.49
COC12CCC(NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)(CC1)C2	REAL300017942990	0	40	-1.0	-54.18	330.21	3.65	-50.53
COC12CCC(NS(=O)(=O)C3=CC(C)=CC(C(=O)[O-])=C3O)(CC1)C2	REAL300017942992	0	44	-1.0	-51.35	355.42	2.73	-48.62
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)(CC1)C2	REAL300017942993	1	41	-1.0	-54.17	336.12	1.32	-52.85
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)(CC1)C2	REAL300017942994	0	39	-1.0	-49.24	321.38	2.11	-47.13
COC12CCC(NS(=O)(=O)C3=C(C)NN=C3C(=O)[O-])(CC1)C2	REAL300017942995	0	40	-1.0	-57.15	311.27	0.94	-56.21
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=C(F)C=C3C)(CC1)C2	REAL300017942996	0	43	-1.0	-56.38	345.58	4.53	-51.85
COC12CCC(NS(=O)(=O)C3=C(Cl)OC(C(=O)[O-])=C3)(CC1)C2	REAL300017942997	0	37	-1.0	-45.22	326.77	2.60	-42.62
COC12CCC(NS(=O)(=O)C3=CC=C(F)C(C(=O)[O-])=C3F)(CC1)C2	REAL300017942998	0	40	-1.0	-55.45	334.74	3.68	-51.77
COC12CCC(NS(=O)(=O)C3=CC(F)=C(F)C(C(=O)[O-])=C3)(CC1)C2	REAL300017942999	0	40	-1.0	-48.23	332.94	3.52	-44.71
COC12CCC(NS(=O)(=O)C3=CC=C4CC(C(=O)[O-])CC4=C3)(CC1)C2	REAL300017943000	0	47	-1.0	-51.20	367.50	5.32	-45.88
CC1=CC=C(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300017950237	0	38	-1.0	-61.25	328.38	5.36	-55.89
N#CCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950238	0	36	-1.0	-62.32	320.15	5.20	-57.12
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(F)=C1F	REAL300017950239	0	38	-1.0	-53.11	344.76	4.76	-48.35
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300017950240	0	44	-1.0	-57.88	363.59	5.45	-52.43
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300017950241	0	50	-1.0	-54.56	365.77	5.75	-48.81
CC1=NC2=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=CC=C2C=C1	REAL300017950242	0	40	-1.0	-66.55	324.87	5.58	-60.97
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300017950243	0	40	-1.0	-70.06	342.84	5.85	-64.21
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300017950244	0	43	-1.0	-57.11	356.57	2.56	-54.55
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950245	0	46	-1.0	-64.00	381.52	4.87	-59.13
CCCN1C=NC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950246	0	38	-1.0	-64.73	325.12	4.76	-59.97
N#CC1=CC(F)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300017950247	0	33	-1.0	-53.24	311.84	4.48	-48.76
N#CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=CS1	REAL300017950248	0	30	-1.0	-45.95	288.05	3.29	-42.66
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1CCC(F)CC1	REAL300017950249	0	41	-1.0	-61.54	325.47	5.16	-56.38
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300017950250	0	35	-1.0	-53.92	314.56	5.12	-48.80
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300017950251	0	38	-1.0	-66.75	327.26	5.00	-61.75
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2)=N1	REAL300017950252	0	41	-1.0	-56.37	364.14	5.50	-50.87
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300017950253	0	38	-1.0	-60.19	341.33	4.73	-55.46
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950254	0	41	-1.0	-59.95	345.76	4.83	-55.12
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950255	0	38	-1.0	-59.45	335.77	5.83	-53.62
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300017950256	0	35	-1.0	-57.62	320.56	5.23	-52.39
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300017950257	0	32	-1.0	-51.16	315.45	5.08	-46.08
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950258	0	39	-1.0	-62.60	333.41	1.44	-61.16
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950259	0	57	-1.0	-55.71	459.94	8.96	-46.75
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950260	0	47	-1.0	-57.76	387.77	6.37	-51.39
CCC1CCN(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300017950261	0	43	-1.0	-56.26	332.82	4.35	-51.91
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300017950262	0	38	-1.0	-59.02	328.14	5.46	-53.56
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CC=C1F	REAL300017950263	0	38	-1.0	-60.55	328.63	5.48	-55.07
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300017950264	0	38	-1.0	-59.75	336.93	5.86	-53.89
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950265	0	36	-1.0	-54.50	318.59	4.39	-50.11
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])C(=O)NCCC2	REAL300017950266	0	47	-1.0	-68.28	368.34	2.83	-65.45
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])S2)C1	REAL300017950267	0	43	-1.0	-62.12	369.24	4.49	-57.63
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300017950268	0	39	-1.0	-46.30	352.47	6.40	-39.90
COC1CCN(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300017950269	0	41	-1.0	-57.70	326.20	2.09	-55.61
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300017950270	0	35	-1.0	-56.90	323.78	5.36	-51.54
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950271	0	45	-1.0	-57.95	369.66	5.70	-52.25
CC(CC(F)(F)F)CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950272	0	37	-1.0	-63.04	313.99	4.21	-58.83
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C([N+](=O)[O-])C2=CC=CN=C2C=C1	REAL300017950273	0	39	-1.0	-59.64	345.04	5.79	-53.85
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=C2)=N1	REAL300017950274	0	44	-1.0	-63.18	372.32	3.99	-59.19
COC1=CC(F)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950275	0	36	-1.0	-56.26	297.91	3.82	-52.44
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])O1	REAL300017950276	0	38	-1.0	-55.04	336.22	3.38	-51.66
CCC1=NC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CN1CC1CC1	REAL300017950277	0	45	-1.0	-61.02	373.58	5.81	-55.21
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2C1	REAL300017950278	0	43	-1.0	-65.38	364.13	4.59	-60.79
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300017950279	0	35	-1.0	-55.05	318.67	3.51	-51.54
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300017950280	0	35	-1.0	-65.81	328.74	3.84	-61.97
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300017950281	0	51	-1.0	-56.36	410.59	7.07	-49.29
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017950282	0	40	-1.0	-54.99	343.82	6.38	-48.61
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950283	0	39	-1.0	-53.37	324.94	3.87	-49.50
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300017950284	0	45	-1.0	-45.52	381.23	6.20	-39.32
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300017950285	0	46	-1.0	-58.72	395.41	7.38	-51.34
COC(CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300017950286	0	42	-1.0	-58.97	358.21	5.06	-53.91
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300017950287	0	44	-1.0	-58.54	363.33	5.42	-53.12
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300017950288	0	40	-1.0	-55.98	361.51	2.93	-53.05
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=CC=C12	REAL300017950289	0	44	-1.0	-58.19	368.94	6.87	-51.32
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300017950290	0	43	-1.0	-57.83	364.79	3.21	-54.62
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1(C(F)F)CCCC1	REAL300017950291	0	41	-1.0	-58.19	323.80	5.34	-52.85
CCOC1(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CCOCC1	REAL300017950292	0	46	-1.0	-62.69	356.34	2.73	-59.96
CCOC(CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])C1CC1	REAL300017950293	0	42	-1.0	-60.86	343.06	4.25	-56.61
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300017950294	0	38	-1.0	-60.23	331.00	4.27	-55.96
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=C(Cl)C=C21	REAL300017950295	0	43	-1.0	-59.23	369.55	5.54	-53.69
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950296	0	35	-1.0	-51.06	320.71	2.63	-48.43
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300017950297	0	43	-1.0	-58.43	378.51	8.12	-50.31
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950298	0	35	-1.0	-56.53	321.26	5.59	-50.94
CC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1Br	REAL300017950299	0	35	-1.0	-57.11	313.54	5.31	-51.80
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950300	0	38	-1.0	-60.74	335.79	5.17	-55.57
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300017950301	0	40	-1.0	-55.94	337.14	1.77	-54.17
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950302	0	36	-1.0	-54.17	328.22	3.88	-50.29
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017950303	0	38	-1.0	-54.18	335.14	4.78	-49.40
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950304	0	38	-1.0	-59.89	334.13	5.84	-54.05
COCCN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300017950305	0	39	-1.0	-55.38	339.18	1.64	-53.74
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950306	0	45	-1.0	-56.97	368.96	5.51	-51.46
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300017950307	0	39	-1.0	-57.23	342.26	4.57	-52.66
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300017950308	0	59	-1.0	-56.67	466.43	8.57	-48.10
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300017950309	0	40	-1.0	-61.85	349.95	6.06	-55.79
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300017950310	0	32	-1.0	-53.47	304.94	4.69	-48.78
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=C(F)C=C1F	REAL300017950311	0	35	-1.0	-61.04	312.44	4.82	-56.22
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300017950312	0	39	-1.0	-69.25	343.78	1.87	-67.38
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300017950313	0	41	-1.0	-57.21	355.10	4.97	-52.24
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950314	0	35	-1.0	-54.62	312.04	5.28	-49.34
COCC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950315	0	39	-1.0	-56.92	325.99	4.16	-52.76
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300017950316	0	36	-1.0	-54.20	329.50	4.01	-50.19
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(Cl)S1	REAL300017950317	0	35	-1.0	-50.71	346.20	1.05	-49.66
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300017950318	0	35	-1.0	-56.67	323.30	3.09	-53.58
CC1(C)CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300017950319	0	43	-1.0	-56.32	356.67	5.28	-51.04
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300017950320	0	40	-1.0	-58.63	356.88	0.80	-57.83
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300017950321	0	43	-1.0	-57.53	378.35	1.69	-55.84
CCC(=O)NCC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC	REAL300017950322	0	49	-1.0	-62.54	409.99	3.18	-59.36
CCC1=CC=C(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950323	0	41	-1.0	-61.54	345.39	6.15	-55.39
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950324	0	36	-1.0	-59.79	325.09	4.04	-55.75
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300017950325	0	47	-1.0	-53.73	391.68	4.46	-49.27
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950326	0	41	-1.0	-65.27	360.98	2.49	-62.78
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300017950327	0	34	-1.0	-53.18	327.44	3.93	-49.25
CC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300017950328	0	37	-1.0	-51.80	335.47	5.07	-46.73
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950329	0	37	-1.0	-49.54	336.02	5.07	-44.47
N#CC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950330	0	33	-1.0	-53.34	319.54	4.95	-48.39
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300017950331	0	39	-1.0	-57.63	351.35	4.93	-52.70
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1	REAL300017950332	0	46	-1.0	-65.18	395.28	3.41	-61.77
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=C(F)C=CC=C1F	REAL300017950333	0	35	-1.0	-63.68	313.15	4.76	-58.92
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950334	0	45	-1.0	-56.63	390.57	5.64	-50.99
CC1(C)CN(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CCO1	REAL300017950335	0	41	-1.0	-55.20	321.79	2.15	-53.05
COC1=C(C)C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300017950336	0	42	-1.0	-56.19	350.90	4.83	-51.36
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950337	0	48	-1.0	-53.67	389.82	6.36	-47.31
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300017950338	0	46	-1.0	-54.72	371.96	6.22	-48.50
CC(C)COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950339	0	45	-1.0	-53.78	370.85	5.75	-48.03
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950340	0	42	-1.0	-53.86	350.75	5.05	-48.81
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300017950341	0	36	-1.0	-56.77	323.45	3.88	-52.89
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300017950342	0	36	-1.0	-56.89	334.87	4.16	-52.73
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300017950343	0	39	-1.0	-56.93	328.65	4.06	-52.87
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300017950344	0	45	-1.0	-56.57	368.46	5.61	-50.96
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300017950345	0	39	-1.0	-58.10	324.54	4.12	-53.98
COCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950346	0	43	-1.0	-55.95	362.88	3.53	-52.42
COCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300017950347	0	46	-1.0	-58.06	384.18	4.25	-53.81
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC=C1F	REAL300017950348	0	35	-1.0	-58.16	306.02	4.75	-53.41
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950349	0	43	-1.0	-69.53	369.55	3.74	-65.79
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300017950350	0	47	-1.0	-58.61	384.01	3.54	-55.07
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950351	0	42	-1.0	-63.11	351.69	3.85	-59.26
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300017950352	0	35	-1.0	-56.16	315.73	5.42	-50.74
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950353	0	38	-1.0	-48.40	353.96	2.08	-46.32
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950354	0	38	-1.0	-60.62	339.63	6.01	-54.61
N#CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300017950355	0	33	-1.0	-54.90	314.14	4.83	-50.07
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950356	0	35	-1.0	-55.50	315.68	5.52	-49.98
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300017950357	0	40	-1.0	-61.63	329.95	6.86	-54.77
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950358	0	38	-1.0	-44.24	345.05	5.14	-39.10
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950359	0	41	-1.0	-68.00	355.00	2.44	-65.56
N#CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=C1	REAL300017950360	0	36	-1.0	-54.84	322.45	5.86	-48.98
N#CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300017950361	0	33	-1.0	-56.28	314.16	4.83	-51.45
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950362	0	48	-1.0	-60.62	390.53	5.77	-54.85
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300017950363	0	44	-1.0	-57.19	386.91	1.88	-55.31
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950364	0	40	-1.0	-57.78	354.52	0.20	-57.58
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950365	0	42	-1.0	-66.12	374.66	2.94	-63.18
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])O1	REAL300017950366	0	35	-1.0	-56.67	319.17	2.83	-53.84
CC1=NC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950367	0	34	-1.0	-61.80	304.36	2.41	-59.39
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017950368	1	34	-1.0	-66.06	304.28	5.78	-60.28
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300017950369	0	35	-1.0	-60.27	335.76	5.69	-54.58
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(C)N1	REAL300017950370	0	45	-1.0	-60.37	375.09	4.69	-55.68
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017950371	0	32	-1.0	-60.54	296.97	4.89	-55.65
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])S2)=CS1	REAL300017950372	0	38	-1.0	-56.90	358.25	4.63	-52.27
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300017950373	0	52	-1.0	-53.62	412.48	7.65	-45.97
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300017950374	0	42	-1.0	-66.33	376.06	3.65	-62.68
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950375	0	41	-1.0	-66.46	349.81	5.48	-60.98
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017950376	0	34	-1.0	-56.38	313.83	6.01	-50.37
COC1=CC(F)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300017950377	0	40	-1.0	-58.64	330.45	2.80	-55.84
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300017950378	0	43	-1.0	-58.78	352.90	4.12	-54.66
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017950379	1	34	-1.0	-54.65	326.70	6.71	-47.94
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950380	0	40	-1.0	-64.70	324.83	5.73	-58.97
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300017950381	0	35	-1.0	-60.57	317.78	4.88	-55.69
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(N)=O	REAL300017950382	0	37	-1.0	-58.35	321.60	0.18	-58.17
CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950383	0	35	-1.0	-55.64	311.11	5.43	-50.21
CCOC(=O)C1CCCN1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950384	0	43	-1.0	-67.17	352.55	4.67	-62.50
CNC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CN1C	REAL300017950385	0	40	-1.0	-58.45	343.25	1.66	-56.79
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300017950386	0	42	-1.0	-52.67	333.25	4.87	-47.80
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(Cl)C=C2CCC(=O)NC2=C1	REAL300017950387	0	40	-1.0	-61.80	352.56	3.79	-58.01
COC(=O)C1=CC=C(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950388	0	41	-1.0	-64.08	357.32	5.38	-58.70
COC(=O)C1CCN(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300017950389	0	43	-1.0	-50.84	341.06	3.40	-47.44
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300017950390	0	43	-1.0	-59.17	354.61	4.13	-55.04
COC(=O)C1=CC=CC(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950391	0	41	-1.0	-68.72	356.55	5.32	-63.40
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])O1	REAL300017950392	0	38	-1.0	-56.63	341.04	3.75	-52.88
COC(=O)CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950393	0	45	-1.0	-58.62	384.71	5.10	-53.52
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300017950394	0	42	-1.0	-59.24	343.96	4.95	-54.29
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300017950395	0	36	-1.0	-60.72	317.18	4.39	-56.33
CCOC(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950396	0	40	-1.0	-67.41	340.70	4.20	-63.21
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017950397	0	35	-1.0	-59.34	316.04	6.13	-53.21
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017950398	0	34	-1.0	-56.01	318.40	6.12	-49.89
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950399	0	37	-1.0	-70.76	316.61	6.44	-64.32
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300017950400	0	34	-1.0	-50.39	322.54	5.43	-44.96
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(Br)C=CS1	REAL300017950401	0	29	-1.0	-55.64	285.88	3.76	-51.88
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300017950402	0	36	-1.0	-55.71	317.57	4.39	-51.32
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300017950403	0	40	-1.0	-57.02	323.42	5.11	-51.91
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300017950404	0	34	-1.0	-62.45	313.16	3.34	-59.11
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(F)C=C2NC(=O)CCC2=C1	REAL300017950405	0	40	-1.0	-61.94	332.26	2.79	-59.15
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017950406	0	31	-1.0	-45.23	309.82	3.33	-41.90
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017950407	0	34	-1.0	-54.99	298.57	4.26	-50.73
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300017950408	0	34	-1.0	-52.94	322.33	5.15	-47.79
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950409	0	41	-1.0	-64.29	353.67	2.72	-61.57
CCN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017950410	0	37	-1.0	-58.01	329.64	4.90	-53.11
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017950411	0	34	-1.0	-60.99	312.25	5.47	-55.52
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300017950412	0	34	-1.0	-51.42	313.76	4.76	-46.66
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300017950413	0	39	-1.0	-54.85	348.82	4.72	-50.13
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017950414	0	34	-1.0	-58.87	318.37	6.13	-52.74
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300017950415	0	46	-1.0	-55.13	389.16	7.32	-47.81
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300017950416	0	40	-1.0	-63.12	347.57	0.22	-62.90
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950417	0	40	-1.0	-69.06	341.89	5.34	-63.72
CCOC(=O)N1CCN(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300017950418	0	45	-1.0	-46.63	355.22	2.45	-44.18
COC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=C(Cl)N=C2C=C1	REAL300017950419	0	41	-1.0	-58.69	358.68	5.28	-53.41
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300017950420	0	42	-1.0	-56.16	365.40	5.59	-50.57
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300017950421	0	35	-1.0	-71.77	306.98	3.21	-68.56
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950422	0	54	-1.0	-60.16	411.56	6.75	-53.41
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950423	0	40	-1.0	-62.85	351.47	0.74	-62.11
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300017950424	0	35	-1.0	-63.08	308.14	4.74	-58.34
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300017950425	0	38	-1.0	-66.13	343.89	1.61	-64.52
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300017950426	0	45	-1.0	-59.10	370.75	6.65	-52.45
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950427	0	42	-1.0	-61.04	331.04	5.14	-55.90
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300017950428	0	37	-1.0	-71.97	326.24	4.20	-67.77
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300017950429	0	39	-1.0	-57.51	339.97	5.14	-52.37
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300017950430	0	34	-1.0	-58.57	323.20	5.20	-53.37
N#CC1=C(F)C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950431	0	33	-1.0	-52.74	304.28	4.34	-48.40
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950432	0	46	-1.0	-55.89	384.73	4.49	-51.40
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950433	0	48	-1.0	-53.69	393.74	6.62	-47.07
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017950434	0	34	-1.0	-62.56	312.32	6.27	-56.29
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300017950435	0	38	-1.0	-56.24	337.26	4.70	-51.54
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300017950436	0	38	-1.0	-44.14	360.31	5.61	-38.53
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950437	0	42	-1.0	-63.81	346.50	4.38	-59.43
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950438	0	38	-1.0	-63.07	348.17	4.60	-58.47
COC(=O)C1=CSC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950439	0	35	-1.0	-56.78	326.86	3.67	-53.11
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950440	0	44	-1.0	-66.21	365.95	6.08	-60.13
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300017950441	0	38	-1.0	-55.21	345.25	5.06	-50.15
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1C	REAL300017950442	0	41	-1.0	-53.43	348.76	5.20	-48.23
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950443	0	38	-1.0	-60.60	325.40	4.19	-56.41
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300017950444	0	42	-1.0	-57.32	333.03	6.63	-50.69
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300017950445	0	38	-1.0	-56.94	325.41	5.81	-51.13
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300017950446	0	31	-1.0	-53.18	295.93	2.82	-50.36
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300017950447	0	36	-1.0	-53.89	334.29	5.49	-48.40
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300017950448	0	37	-1.0	-55.89	315.14	3.31	-52.58
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300017950449	0	37	-1.0	-56.61	328.18	-0.53	-57.14
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2S1	REAL300017950450	0	46	-1.0	-54.75	391.81	5.97	-48.78
COC(=O)CC1(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300017950451	0	41	-1.0	-58.84	341.63	4.36	-54.48
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950452	0	37	-1.0	-55.92	336.57	4.14	-51.78
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(F)C=C1F	REAL300017950453	0	35	-1.0	-56.63	299.20	4.30	-52.33
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950454	0	39	-1.0	-58.30	331.07	4.91	-53.39
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300017950455	0	44	-1.0	-57.35	369.92	5.56	-51.79
CCCCCCN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(=O)NC1=O	REAL300017950456	0	50	-1.0	-65.86	404.66	4.44	-61.42
CC1=CN(C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2F)N=C1	REAL300017950457	0	42	-1.0	-55.44	363.18	5.89	-49.55
COC(=O)C1=CC(OC)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950458	0	39	-1.0	-56.72	354.39	3.86	-52.86
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950459	0	39	-1.0	-64.23	340.24	-1.30	-65.53
CC1=CC(F)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300017950460	0	35	-1.0	-57.18	298.47	4.30	-52.88
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017950461	0	37	-1.0	-59.07	339.54	5.89	-53.18
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Br)O1	REAL300017950462	0	29	-1.0	-55.74	284.01	2.75	-52.99
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300017950463	0	38	-1.0	-56.30	327.53	5.18	-51.12
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017950464	0	29	-1.0	-52.36	305.45	4.26	-48.10
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC(F)=CC=C2S1	REAL300017950465	0	35	-1.0	-55.64	324.13	5.50	-50.14
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300017950466	0	35	-1.0	-55.50	334.44	5.94	-49.56
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300017950467	0	38	-1.0	-58.70	343.91	6.90	-51.80
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300017950468	0	35	-1.0	-55.25	332.34	5.88	-49.37
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300017950469	0	38	-1.0	-60.58	323.25	6.71	-53.87
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300017950470	0	38	-1.0	-60.28	336.57	6.86	-53.42
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300017950471	0	43	-1.0	-59.02	384.26	2.98	-56.04
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CN1C	REAL300017950472	0	42	-1.0	-58.33	362.40	5.04	-53.29
CCOC(=O)C1CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300017950473	0	46	-1.0	-60.00	392.63	6.27	-53.73
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300017950474	0	38	-1.0	-59.61	343.03	1.57	-58.04
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950475	0	41	-1.0	-64.84	362.59	3.38	-61.46
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950476	0	45	-1.0	-59.10	385.33	5.61	-53.49
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])SC2=CC=CC(F)=C12	REAL300017950477	0	38	-1.0	-61.53	331.44	6.18	-55.35
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300017950478	0	43	-1.0	-64.24	376.39	1.01	-63.23
N#CC1=CC(F)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300017950479	1	33	-1.0	-55.98	306.71	4.70	-51.28
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1N(C)C	REAL300017950480	0	43	-1.0	-56.16	353.72	4.66	-51.50
CN1C(Cl)=NC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950481	0	32	-1.0	-50.21	294.46	2.97	-47.24
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950482	0	37	-1.0	-60.80	334.94	5.97	-54.83
CSC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300017950483	0	36	-1.0	-56.34	333.14	5.50	-50.84
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])N=C1Cl	REAL300017950484	0	32	-1.0	-57.47	299.60	2.84	-54.63
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950485	0	35	-1.0	-61.56	322.40	4.74	-56.82
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC(=O)OCC1=CC=CC=C1	REAL300017950486	0	44	-1.0	-59.53	379.11	6.48	-53.05
CN(C)C1=CC=C(Br)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950487	0	40	-1.0	-58.70	347.08	5.14	-53.56
CC1=NN2C=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=NC2=C1Cl	REAL300017950488	0	37	-1.0	-52.74	334.13	3.63	-49.11
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950489	0	38	-1.0	-57.73	338.60	6.02	-51.71
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950490	0	44	-1.0	-55.03	356.10	4.51	-50.52
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C12	REAL300017950491	0	39	-1.0	-52.38	340.39	1.72	-50.66
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300017950492	0	37	-1.0	-56.63	332.18	5.34	-51.29
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300017950493	0	38	-1.0	-55.63	346.78	6.92	-48.71
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950494	0	38	-1.0	-57.64	328.27	5.57	-52.07
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017950495	0	35	-1.0	-74.02	316.83	3.88	-70.14
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=C(Cl)C=C1Br	REAL300017950496	0	35	-1.0	-57.68	334.15	5.79	-51.89
NC(=O)COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950497	0	40	-1.0	-76.72	342.25	1.87	-74.85
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017950498	0	31	-1.0	-42.50	305.45	3.18	-39.32
COC(=O)C1CCCCC1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950499	0	44	-1.0	-65.53	340.48	5.33	-60.20
COC(=O)C1(C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300017950500	0	45	-1.0	-59.04	377.96	6.66	-52.38
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300017950501	0	39	-1.0	-60.27	324.85	4.05	-56.22
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950502	0	36	-1.0	-67.21	337.39	5.43	-61.78
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300017950503	0	38	-1.0	-52.72	347.44	2.10	-50.62
COC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950504	0	36	-1.0	-54.56	318.59	4.39	-50.17
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300017950505	0	41	-1.0	-69.19	345.55	7.85	-61.34
CCC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C(C(=O)OC)O1	REAL300017950506	0	41	-1.0	-59.70	358.99	4.35	-55.35
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1	REAL300017950507	0	49	-1.0	-61.48	390.23	5.69	-55.79
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300017950508	0	39	-1.0	-55.79	329.66	4.18	-51.61
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1	REAL300017950509	0	52	-1.0	-48.29	398.73	5.56	-42.73
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	REAL300017950510	0	46	-1.0	-61.34	365.90	4.02	-57.32
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1	REAL300017950511	0	43	-1.0	-60.14	371.71	4.63	-55.51
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950512	0	40	-1.0	-55.00	350.07	6.18	-48.82
N#CC1(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CCCCC1	REAL300017950513	0	42	-1.0	-72.91	333.56	4.87	-68.04
CC1(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CCCCC1	REAL300017950514	0	44	-1.0	-59.59	326.22	5.47	-54.12
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300017950515	0	41	-1.0	-56.24	337.48	5.43	-50.81
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300017950516	0	35	-1.0	-57.16	317.35	2.92	-54.24
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300017950517	0	36	-1.0	-54.76	315.30	3.40	-51.36
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950518	0	43	-1.0	-65.53	369.25	4.13	-61.40
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950519	0	46	-1.0	-62.67	384.38	5.30	-57.37
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950520	0	41	-1.0	-60.71	330.03	5.99	-54.72
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300017950521	0	46	-1.0	-60.33	394.68	7.38	-52.95
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300017950522	0	47	-1.0	-55.10	402.82	6.69	-48.41
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950523	0	44	-1.0	-66.22	371.66	6.40	-59.82
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017950524	0	32	-1.0	-46.59	315.15	5.13	-41.46
CC1=C(Cl)SC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950525	0	32	-1.0	-54.24	307.84	4.23	-50.01
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300017950526	0	36	-1.0	-59.56	299.82	2.89	-56.67
CC1=CC=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300017950527	0	40	-1.0	-62.46	335.19	6.99	-55.47
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300017950528	0	38	-1.0	-56.90	338.90	5.81	-51.09
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300017950529	0	42	-1.0	-51.37	367.64	6.93	-44.44
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950530	0	40	-1.0	-56.63	345.08	2.25	-54.38
CN(C)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950531	0	40	-1.0	-56.37	329.01	4.42	-51.95
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300017950532	0	38	-1.0	-56.46	323.54	4.52	-51.94
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300017950534	0	35	-1.0	-56.01	310.99	4.94	-51.07
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300017950535	0	35	-1.0	-52.35	333.28	5.53	-46.82
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300017950536	0	35	-1.0	-55.82	309.09	4.59	-51.23
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950537	0	35	-1.0	-53.73	320.19	5.28	-48.45
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950538	0	43	-1.0	-69.35	345.45	2.35	-67.00
CSC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950539	0	36	-1.0	-48.29	316.12	5.09	-43.20
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950540	0	43	-1.0	-70.97	360.41	4.09	-66.88
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300017950541	0	44	-1.0	-59.36	369.78	4.02	-55.34
COC1=C(F)C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017950542	0	38	-1.0	-53.65	342.71	4.84	-48.81
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017950543	0	42	-1.0	-57.27	368.52	3.31	-53.96
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300017950544	0	43	-1.0	-69.33	377.67	5.89	-63.44
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(OC)=C1	REAL300017950545	0	42	-1.0	-58.13	346.20	4.42	-53.71
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950546	0	35	-1.0	-56.33	321.26	5.60	-50.73
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017950547	0	40	-1.0	-62.33	340.62	6.04	-56.29
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300017950548	0	40	-1.0	-65.31	341.78	5.29	-60.02
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300017950549	0	38	-1.0	-68.05	319.73	0.35	-67.70
CN1C(=O)N(C)C2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300017950550	0	42	-1.0	-59.43	359.42	4.93	-54.50
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300017950551	0	37	-1.0	-62.25	327.87	4.21	-58.04
COC1=CC(F)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300017950552	0	36	-1.0	-57.02	315.43	3.59	-53.43
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300017950553	0	42	-1.0	-57.68	345.70	5.13	-52.55
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950554	0	40	-1.0	-60.44	355.79	0.19	-60.25
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950555	0	41	-1.0	-63.73	350.93	5.81	-57.92
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300017950556	0	36	-1.0	-56.95	299.99	3.94	-53.01
CSC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950557	0	36	-1.0	-53.82	318.10	5.05	-48.77
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950558	0	44	-1.0	-53.07	376.03	6.41	-46.66
CCC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950559	0	42	-1.0	-59.10	354.56	3.74	-55.36
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300017950560	0	38	-1.0	-61.10	340.73	5.68	-55.42
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950561	0	43	-1.0	-59.07	344.14	5.63	-53.44
CCN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])N=C1C	REAL300017950562	0	38	-1.0	-65.76	324.40	3.87	-61.89
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017950563	0	31	-1.0	-45.74	302.90	3.06	-42.68
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300017950564	0	38	-1.0	-59.68	322.83	3.66	-56.02
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300017950565	0	37	-1.0	-58.14	315.84	4.46	-53.68
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300017950566	0	44	-1.0	-59.04	371.56	6.00	-53.04
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(F)=C1F	REAL300017950567	0	32	-1.0	-61.50	278.36	3.67	-57.83
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017950568	0	32	-1.0	-56.28	291.96	4.17	-52.11
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300017950569	0	38	-1.0	-57.82	333.23	5.59	-52.23
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300017950570	0	38	-1.0	-60.00	352.46	4.77	-55.23
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C12	REAL300017950571	0	40	-1.0	-54.33	345.46	3.73	-50.60
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=C(Br)C=C1F	REAL300017950572	0	35	-1.0	-60.66	327.33	5.38	-55.28
CC1=NOC2=NC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C12	REAL300017950573	0	36	-1.0	-56.04	318.91	0.99	-55.05
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300017950574	0	41	-1.0	-57.11	359.45	6.88	-50.23
COCC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950575	0	39	-1.0	-58.11	333.87	3.79	-54.32
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br	REAL300017950576	0	34	-1.0	-59.19	324.41	5.41	-53.78
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(C(=O)OC)S1	REAL300017950577	0	41	-1.0	-61.92	373.08	5.23	-56.69
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950578	0	38	-1.0	-61.04	329.30	5.55	-55.49
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300017950579	0	35	-1.0	-57.10	314.30	5.16	-51.94
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300017950580	0	44	-1.0	-64.46	375.38	2.63	-61.83
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300017950581	0	39	-1.0	-60.46	348.52	4.51	-55.95
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300017950582	0	32	-1.0	-41.03	311.62	5.11	-35.92
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CN=C21	REAL300017950583	0	40	-1.0	-56.82	346.85	1.49	-55.33
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300017950616	0	41	-1.0	-57.04	360.78	5.63	-51.41
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300017950617	0	40	-1.0	-58.67	339.79	4.66	-54.01
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300017950618	0	32	-1.0	-41.15	296.73	4.56	-36.59
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950619	0	51	-1.0	-66.01	408.79	6.87	-59.14
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017950620	0	35	-1.0	-60.38	329.47	5.61	-54.77
N#CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(Cl)=C1	REAL300017950621	0	33	-1.0	-53.82	311.72	5.00	-48.82
CC(=O)NC1=CC(F)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300017950622	0	39	-1.0	-59.53	341.55	3.10	-56.43
CC1CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300017950623	0	40	-1.0	-55.12	335.89	4.64	-50.48
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300017950624	0	36	-1.0	-44.33	338.53	4.43	-39.90
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950625	0	44	-1.0	-56.50	337.00	7.27	-49.23
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950626	0	44	-1.0	-65.60	367.07	2.93	-62.67
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CS1	REAL300017950627	0	35	-1.0	-61.26	326.60	3.68	-57.58
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950628	0	41	-1.0	-61.03	361.56	6.50	-54.53
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300017950629	0	43	-1.0	-54.94	385.04	7.46	-47.48
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300017950630	0	38	-1.0	-62.09	345.23	4.75	-57.34
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300017950631	0	38	-1.0	-59.76	362.78	5.22	-54.54
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300017950632	0	41	-1.0	-57.27	342.94	5.28	-51.99
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300017950633	0	34	-1.0	-51.00	328.66	5.31	-45.69
COC1=C(F)C=C(Br)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950634	0	36	-1.0	-51.86	335.30	4.68	-47.18
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950635	0	44	-1.0	-54.65	357.88	4.60	-50.05
CCOC(=O)N1CCC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300017950636	0	46	-1.0	-43.52	373.46	3.88	-39.64
CC1=NC(C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2)=CO1	REAL300017950637	0	41	-1.0	-56.91	354.30	3.10	-53.81
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300017950638	0	31	-1.0	-50.24	306.21	3.09	-47.15
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017950639	0	35	-1.0	-59.17	309.40	4.41	-54.76
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300017950640	0	35	-1.0	-56.05	304.86	2.68	-53.37
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300017950641	0	40	-1.0	-56.55	332.88	4.64	-51.91
COC1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950642	0	36	-1.0	-44.65	319.79	3.79	-40.86
COC(=O)C1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300017950643	0	41	-1.0	-59.26	365.70	6.45	-52.81
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950644	0	41	-1.0	-60.72	354.86	5.48	-55.24
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300017950645	0	39	-1.0	-44.56	318.24	5.70	-38.86
CC1=CC=C(N2C=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=N2)C=C1	REAL300017950646	0	42	-1.0	-55.44	361.31	5.81	-49.63
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)[C@@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017950647	0	50	-1.0	-62.83	416.82	6.08	-56.75
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)[C@H]1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300017950648	0	50	-1.0	-54.08	418.75	6.09	-47.99
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1CN(C(=O)OCC2=CC=CC=C2)C1	REAL300017950649	0	47	-1.0	-60.91	396.39	5.14	-55.77
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950650	0	34	-1.0	-52.93	315.51	4.33	-48.60
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300017950651	0	43	-1.0	-75.66	359.63	5.14	-70.52
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300017950652	0	32	-1.0	-46.76	311.45	5.19	-41.57
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300017950653	0	32	-1.0	-53.23	314.06	5.10	-48.13
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950654	0	42	-1.0	-60.04	340.47	5.71	-54.33
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1C#N	REAL300017950655	0	36	-1.0	-54.90	319.09	4.91	-49.99
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300017950656	0	38	-1.0	-58.52	337.24	4.71	-53.81
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950657	0	36	-1.0	-57.89	307.95	4.30	-53.59
COC1=CC=C(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950658	0	39	-1.0	-62.32	324.54	4.12	-58.20
N#CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300017950659	0	33	-1.0	-54.71	318.43	4.92	-49.79
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300017950660	0	39	-1.0	-60.38	339.75	4.79	-55.59
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950661	0	38	-1.0	-39.95	347.24	4.41	-35.54
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300017950662	0	39	-1.0	-57.44	339.12	3.04	-54.40
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300017950663	0	40	-1.0	-47.87	351.79	3.79	-44.08
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300017950664	0	36	-1.0	-57.17	325.06	3.67	-53.50
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300017950665	0	35	-1.0	-51.94	323.94	5.10	-46.84
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300017950666	0	43	-1.0	-59.14	370.48	1.11	-58.03
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C2S1	REAL300017950667	0	44	-1.0	-55.96	393.74	7.05	-48.91
N#CCC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950668	0	36	-1.0	-63.96	321.05	5.23	-58.73
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300017950669	0	36	-1.0	-54.94	323.78	4.06	-50.88
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300017950670	0	37	-1.0	-59.57	335.61	-0.38	-59.95
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])OCO2	REAL300017950671	0	38	-1.0	-61.32	320.62	3.60	-57.72
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950672	0	38	-1.0	-54.86	330.18	5.16	-49.70
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300017950673	0	32	-1.0	-52.46	307.70	5.10	-47.36
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950674	0	38	-1.0	-50.87	311.05	5.69	-45.18
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300017950675	0	32	-1.0	-56.22	312.34	5.26	-50.96
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])OCC(=O)N2	REAL300017950676	0	42	-1.0	-59.64	341.98	1.02	-58.62
N#CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950677	0	30	-1.0	-55.36	291.25	3.56	-51.80
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300017950678	0	33	-1.0	-62.85	290.91	2.31	-60.54
COC1=CN=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950679	0	35	-1.0	-55.97	304.19	1.51	-54.46
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017950680	0	32	-1.0	-60.01	292.66	4.21	-55.80
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300017950681	0	42	-1.0	-56.38	360.00	4.74	-51.64
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950682	0	36	-1.0	-62.95	330.38	1.31	-61.64
CCOC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950683	0	39	-1.0	-57.99	330.97	4.26	-53.73
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=C2O1	REAL300017950684	0	43	-1.0	-63.62	341.75	5.23	-58.39
N#CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300017950685	0	36	-1.0	-56.53	334.60	5.21	-51.32
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950723	0	33	-1.0	-58.84	313.14	4.73	-54.11
CC1=CC=C(C#N)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950724	0	36	-1.0	-62.04	315.85	5.20	-56.84
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(=O)N(C)C	REAL300017950725	0	46	-1.0	-60.35	382.26	3.60	-56.75
CC1CC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300017950726	0	40	-1.0	-54.91	353.33	5.16	-49.75
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017950727	0	37	-1.0	-52.51	323.02	5.25	-47.26
CC1=CC=C(Br)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950728	0	35	-1.0	-57.99	317.01	5.41	-52.58
COC(=O)C1=COC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950729	0	35	-1.0	-57.52	317.67	2.75	-54.77
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300017950730	0	43	-1.0	-60.73	367.15	4.78	-55.95
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300017950731	0	34	-1.0	-54.22	310.83	3.50	-50.72
CC(=O)N(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950732	0	42	-1.0	-65.26	345.53	4.27	-60.99
COC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])SC=C1	REAL300017950733	0	33	-1.0	-62.13	299.15	3.03	-59.10
CC(=O)NC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1C	REAL300017950734	0	42	-1.0	-62.37	352.82	3.81	-58.56
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCCC(F)(F)F	REAL300017950735	0	34	-1.0	-63.07	303.01	3.62	-59.45
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300017950736	0	37	-1.0	-63.49	325.63	4.03	-59.46
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C2NC(=O)COC2=CC=C1	REAL300017950737	0	38	-1.0	-60.14	325.76	1.58	-58.56
CN1CCCC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300017950738	0	44	-1.0	-57.60	353.61	4.57	-53.03
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300017950739	0	34	-1.0	-52.73	313.55	3.24	-49.49
CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950740	0	35	-1.0	-44.78	311.97	5.15	-39.63
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950741	0	40	-1.0	-64.44	332.02	4.61	-59.83
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CN=C1Cl	REAL300017950742	0	34	-1.0	-53.88	309.59	3.22	-50.66
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300017950743	0	38	-1.0	-59.31	330.98	3.08	-56.23
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300017950744	0	31	-1.0	-52.92	300.44	3.78	-49.14
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950745	0	41	-1.0	-56.38	351.50	5.66	-50.72
CC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1C#N	REAL300017950746	0	36	-1.0	-61.81	316.89	4.83	-56.98
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(OC)=C1	REAL300017950747	0	40	-1.0	-59.44	338.58	2.65	-56.79
N#CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950748	0	33	-1.0	-40.90	311.09	4.88	-36.02
CN1C=NC2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300017950749	0	38	-1.0	-64.85	327.39	5.36	-59.49
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017950750	0	40	-1.0	-67.62	331.65	5.90	-61.72
CCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1CC	REAL300017950751	0	44	-1.0	-57.25	355.85	6.64	-50.61
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950752	0	40	-1.0	-49.64	332.05	6.24	-43.40
CC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300017950753	0	35	-1.0	-44.35	307.37	5.00	-39.35
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(C)O1	REAL300017950754	0	38	-1.0	-60.35	339.01	3.57	-56.78
CC1=C(C)SC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950755	0	35	-1.0	-57.58	312.48	4.41	-53.17
CC1=CC=CC(F)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950756	0	35	-1.0	-61.25	298.04	5.00	-56.25
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950757	0	33	-1.0	-54.41	301.92	1.88	-52.53
CCC1=NC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950758	0	34	-1.0	-54.02	308.59	2.60	-51.42
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300017950759	0	38	-1.0	-63.27	327.15	5.43	-57.84
COC(=O)C1=NSC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950760	0	34	-1.0	-57.53	311.24	2.85	-54.68
COC(=O)C1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])SC=N1	REAL300017950761	1	34	-1.0	-58.32	313.68	2.41	-55.91
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(C)=C1F	REAL300017950762	0	38	-1.0	-54.29	326.60	5.37	-48.92
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300017950763	0	40	-1.0	-64.98	338.41	2.45	-62.53
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCC2(CC1)OCCO2	REAL300017950764	0	43	-1.0	-56.99	339.65	2.01	-54.98
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CN1C	REAL300017950765	0	39	-1.0	-63.78	340.53	4.12	-59.66
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=CC(Cl)=C1	REAL300017950766	0	31	-1.0	-53.35	291.36	2.72	-50.63
CC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300017950767	0	35	-1.0	-60.98	292.12	4.22	-56.76
CC(C)C(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950768	0	43	-1.0	-53.72	360.36	5.86	-47.86
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC(Cl)=CC=C1F	REAL300017950769	0	35	-1.0	-59.66	322.73	5.27	-54.39
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300017950770	0	35	-1.0	-62.13	324.27	5.22	-56.91
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017950771	0	32	-1.0	-60.76	293.38	4.74	-56.02
CC1=CC(F)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950772	0	35	-1.0	-53.85	305.30	4.74	-49.11
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CN=C1Cl	REAL300017950773	0	35	-1.0	-52.77	320.01	1.97	-50.80
N#CC1=CC=C(F)C(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950774	0	36	-1.0	-61.56	326.85	5.14	-56.42
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300017950775	0	37	-1.0	-52.81	329.57	2.84	-49.97
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017950776	0	31	-1.0	-56.37	294.59	3.34	-53.03
COCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950777	0	39	-1.0	-55.94	332.97	3.76	-52.18
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950778	0	37	-1.0	-58.66	313.53	4.14	-54.52
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950779	0	38	-1.0	-57.78	350.66	5.17	-52.61
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)O2	REAL300017950780	0	35	-1.0	-57.23	322.65	2.11	-55.12
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300017950781	0	38	-1.0	-52.78	327.87	1.63	-51.15
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950782	0	41	-1.0	-67.89	362.93	2.24	-65.65
CC(=O)NC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300017950783	0	39	-1.0	-62.13	340.81	3.04	-59.09
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300017950784	0	46	-1.0	-68.07	370.80	5.60	-62.47
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300017950785	0	35	-1.0	-59.99	293.30	2.51	-57.48
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950786	0	38	-1.0	-55.29	334.14	5.83	-49.46
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950787	0	42	-1.0	-66.16	352.31	1.24	-64.92
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2CC1	REAL300017950788	0	49	-1.0	-62.11	390.59	5.99	-56.12
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300017950789	0	41	-1.0	-58.33	364.03	5.47	-52.86
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950790	0	41	-1.0	-57.90	352.99	6.52	-51.38
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300017950791	0	35	-1.0	-55.88	315.58	5.36	-50.52
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017950792	0	35	-1.0	-56.75	318.73	6.00	-50.75
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950793	0	46	-1.0	-69.98	390.34	2.27	-67.71
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950794	0	45	-1.0	-61.88	367.74	5.36	-56.52
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1C	REAL300017950795	0	44	-1.0	-55.99	372.32	6.15	-49.84
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950796	0	44	-1.0	-62.72	377.62	6.42	-56.30
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1OC	REAL300017950797	0	43	-1.0	-58.38	375.10	3.83	-54.55
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(F)C=C1C	REAL300017950798	0	44	-1.0	-57.32	364.38	5.70	-51.62
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300017950799	0	38	-1.0	-60.52	340.74	6.00	-54.52
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950800	0	41	-1.0	-59.99	347.27	5.12	-54.87
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300017950801	0	42	-1.0	-60.27	353.00	7.48	-52.79
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950802	0	46	-1.0	-57.08	397.05	1.82	-55.26
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC=C1Br	REAL300017950803	0	35	-1.0	-56.83	317.50	5.29	-51.54
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CN1C	REAL300017950804	0	44	-1.0	-61.56	381.42	5.23	-56.33
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017950805	0	36	-1.0	-61.27	326.75	4.90	-56.37
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300017950806	0	35	-1.0	-54.12	312.08	4.96	-49.16
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950807	0	34	-1.0	-52.01	305.64	3.37	-48.64
CC1=NC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(Br)N1C	REAL300017950808	0	35	-1.0	-63.67	319.42	3.52	-60.15
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300017950809	0	33	-1.0	-54.87	301.28	2.88	-51.99
COC(=O)C(C)(C)CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950810	0	40	-1.0	-57.26	327.44	3.91	-53.35
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950811	0	45	-1.0	-65.22	371.26	4.86	-60.36
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300017950812	0	38	-1.0	-59.03	325.07	4.25	-54.78
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950813	0	43	-1.0	-59.41	361.71	3.25	-56.16
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300017950814	0	47	-1.0	-56.21	392.55	6.86	-49.35
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950815	0	44	-1.0	-59.31	381.57	3.25	-56.06
COC(=O)C1(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CCCC1	REAL300017950816	0	44	-1.0	-67.41	354.19	5.01	-62.40
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950817	0	39	-1.0	-54.65	349.23	4.19	-50.46
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300017950818	0	38	-1.0	-53.19	333.23	5.58	-47.61
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300017950819	0	43	-1.0	-53.15	383.31	7.40	-45.75
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950820	0	41	-1.0	-63.27	356.08	5.46	-57.81
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC12CCC(CC1)C2	REAL300017950821	0	42	-1.0	-60.95	326.69	5.44	-55.51
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300017950822	0	38	-1.0	-59.55	340.39	5.91	-53.64
COC(=O)C1(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CCC1	REAL300017950823	0	41	-1.0	-66.17	339.19	4.35	-61.82
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300017950824	0	32	-1.0	-53.26	311.14	4.20	-49.06
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950825	0	45	-1.0	-58.25	387.27	4.32	-53.93
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950826	0	48	-1.0	-58.75	410.85	5.31	-53.44
COC(=O)C1(CS(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])CCCCC1	REAL300017950827	0	47	-1.0	-67.92	365.42	5.81	-62.11
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950828	0	40	-1.0	-62.26	348.98	5.06	-57.20
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300017950829	1	34	-1.0	-65.47	306.69	3.03	-62.44
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300017950830	0	36	-1.0	-62.65	299.38	3.40	-59.25
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])=C2	REAL300017950831	0	45	-1.0	-59.11	378.90	7.86	-51.25
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300017950832	0	35	-1.0	-62.08	333.43	5.75	-56.33
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300017950833	0	35	-1.0	-63.11	324.31	5.35	-57.76
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300017950834	0	36	-1.0	-63.78	327.92	4.25	-59.53
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950835	0	42	-1.0	-61.21	353.08	6.31	-54.90
CC(C)(CCS(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])C1CC1	REAL300017950836	0	44	-1.0	-60.52	342.19	5.39	-55.13
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300017950837	0	36	-1.0	-58.72	325.72	5.63	-53.09
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCCC1=CC=CC=C1	REAL300017950838	0	41	-1.0	-61.72	344.42	6.26	-55.46
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C(C(N)=O)O1	REAL300017950840	0	36	-1.0	-63.98	320.69	-0.39	-64.37
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950844	0	41	-1.0	-57.64	331.83	6.53	-51.11
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300017950845	0	41	-1.0	-58.87	339.08	4.72	-54.15
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC=C1C(F)F	REAL300017950846	0	32	-1.0	-60.68	289.97	4.24	-56.44
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300017950847	0	38	-1.0	-61.11	330.42	5.56	-55.55
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950848	0	48	-1.0	-57.72	392.49	6.79	-50.93
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300017950849	0	37	-1.0	-60.05	315.82	4.57	-55.48
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300017950850	0	52	-1.0	-63.22	405.70	6.46	-56.76
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950851	0	39	-1.0	-56.49	338.47	4.23	-52.26
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300017950852	0	46	-1.0	-57.51	374.36	4.15	-53.36
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300017950853	0	47	-1.0	-68.09	388.10	6.61	-61.48
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300017950854	0	46	-1.0	-75.76	379.94	5.96	-69.80
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300017950855	0	39	-1.0	-57.19	329.31	3.69	-53.50
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300017950856	0	39	-1.0	-53.24	327.05	3.89	-49.35
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300017950857	0	42	-1.0	-45.74	347.66	4.46	-41.28
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300017950865	0	38	-1.0	-55.18	345.47	4.92	-50.26
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300017950866	0	38	-1.0	-54.86	328.65	1.26	-53.60
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(Br)C=CO1	REAL300017950867	1	29	-1.0	-57.83	277.80	2.59	-55.24
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2CCCCN12	REAL300017950868	0	39	-1.0	-56.96	319.18	4.11	-52.85
COC1=C(F)C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300017950869	0	36	-1.0	-53.07	325.44	3.59	-49.48
COC1=CC(F)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300017950870	0	36	-1.0	-56.82	307.44	2.97	-53.85
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300017950871	0	57	-1.0	-56.30	453.59	8.63	-47.67
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300017950872	0	48	-1.0	-60.02	379.57	6.05	-53.97
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950873	0	42	-1.0	-59.04	353.39	5.37	-53.67
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300017950874	0	55	-1.0	-58.45	444.57	6.49	-51.96
CC1=CSC(C)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950875	0	35	-1.0	-53.32	300.15	4.65	-48.67
CC1CC2=CC=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=C2O1	REAL300017950876	0	40	-1.0	-61.75	336.78	4.61	-57.14
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950877	0	40	-1.0	-53.99	347.29	3.67	-50.32
N#CC1(C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300017950878	0	40	-1.0	-60.35	347.86	6.24	-54.11
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950879	0	36	-1.0	-58.71	315.38	4.67	-54.04
CC1=C(Br)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(C)S1	REAL300017950880	0	35	-1.0	-56.62	320.41	5.29	-51.33
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300017950881	0	35	-1.0	-56.17	321.79	5.90	-50.27
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300017950882	0	49	-1.0	-64.40	387.86	6.12	-58.28
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300017950883	0	38	-1.0	-60.31	332.11	4.67	-55.64
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300017950884	0	46	-1.0	-73.02	378.36	5.65	-67.37
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC=C1Cl	REAL300017950885	0	29	-1.0	-45.22	285.48	3.44	-41.78
CN1N=C(Br)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950886	0	32	-1.0	-47.90	299.27	2.17	-45.73
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300017950887	0	34	-1.0	-51.83	313.02	3.15	-48.68
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950888	0	37	-1.0	-66.43	320.09	3.60	-62.83
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300017950889	0	41	-1.0	-58.75	325.00	4.00	-54.75
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300017950890	0	36	-1.0	-60.10	320.50	4.00	-56.10
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300017950891	0	33	-1.0	-50.42	293.67	2.79	-47.63
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300017950892	0	35	-1.0	-58.44	317.64	5.51	-52.93
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CNC2=C(Br)C=CC=C12	REAL300017950893	0	36	-1.0	-58.25	320.67	4.01	-54.24
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300017950894	0	35	-1.0	-66.32	324.18	3.73	-62.59
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950895	0	39	-1.0	-51.49	330.00	3.76	-47.73
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300017950896	0	41	-1.0	-52.94	332.12	6.28	-46.66
COC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1OC	REAL300017950897	0	40	-1.0	-59.56	337.38	3.85	-55.71
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300017950898	0	41	-1.0	-64.92	347.55	1.23	-63.69
N#CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300017950899	0	33	-1.0	-55.94	318.45	4.92	-51.02
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300017950900	0	35	-1.0	-58.22	294.02	3.72	-54.50
COC1=CC=C(F)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1OC	REAL300017950901	0	40	-1.0	-61.73	338.31	4.34	-57.39
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950902	1	35	-1.0	-54.19	338.26	3.41	-50.78
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300017950903	0	45	-1.0	-57.12	368.37	4.92	-52.20
N#CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300017950904	0	36	-1.0	-63.06	328.81	5.86	-57.20
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300017950906	0	39	-1.0	-50.96	333.93	3.87	-47.09
O=C([O-])[C@@H]1CCC[C@H]1NC(=O)CC1=C(Cl)C=CC=C1Cl	REAL300017950907	0	34	-1.0	-53.10	312.20	7.74	-45.36
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300017950908	0	36	-1.0	-57.35	317.15	3.61	-53.74
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300017950909	0	36	-1.0	-63.81	320.61	4.01	-59.80
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017950910	0	35	-1.0	-61.90	308.21	3.22	-58.68
CN1N=NC2=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=CC=C21	REAL300017950911	0	37	-1.0	-71.17	309.85	2.38	-68.79
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300017950913	0	38	-1.0	-59.08	333.89	6.10	-52.98
CC1(C)CCCN(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C1	REAL300017950914	0	43	-1.0	-58.26	334.03	4.45	-53.81
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300017950915	0	38	-1.0	-53.95	347.86	5.17	-48.78
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300017950916	0	35	-1.0	-55.98	313.38	4.41	-51.57
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300017950917	0	42	-1.0	-57.64	352.17	4.39	-53.25
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950918	0	50	-1.0	-59.37	389.41	7.90	-51.47
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300017950919	0	38	-1.0	-53.97	350.00	5.95	-48.02
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(Cl)SC=C1	REAL300017950920	0	29	-1.0	-44.37	285.76	3.53	-40.84
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300017950921	0	42	-1.0	-55.38	353.61	4.64	-50.74
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300017950922	0	36	-1.0	-58.07	315.31	5.20	-52.87
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300017950923	0	43	-1.0	-60.67	360.08	6.66	-54.01
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950924	0	45	-1.0	-61.46	367.70	2.43	-59.03
COC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300017950925	0	41	-1.0	-71.01	343.69	5.22	-65.79
CCCC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950926	0	41	-1.0	-57.70	343.19	6.28	-51.42
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950927	0	38	-1.0	-50.16	333.33	2.37	-47.79
N#CC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950928	0	33	-1.0	-43.82	302.68	4.25	-39.57
CN1N=C2CCCC2=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950929	0	39	-1.0	-53.66	324.78	3.54	-50.12
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017950930	0	36	-1.0	-51.51	335.67	5.37	-46.14
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2C=C1	REAL300017950931	0	44	-1.0	-57.66	380.26	6.95	-50.71
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950932	0	41	-1.0	-52.13	323.13	3.71	-48.42
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COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950949	0	42	-1.0	-53.26	374.10	4.80	-48.46
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(N2C(=O)CCC2=O)N=C1	REAL300017950950	0	41	-1.0	-62.60	352.95	3.98	-58.62
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300017950951	0	32	-1.0	-55.65	295.15	4.30	-51.35
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O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017950954	0	35	-1.0	-57.30	308.38	5.54	-51.76
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950955	0	38	-1.0	-54.69	343.85	4.32	-50.37
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300017950956	0	39	-1.0	-59.20	319.58	5.70	-53.50
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300017950957	0	42	-1.0	-52.18	338.37	4.47	-47.71
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950958	0	41	-1.0	-51.90	330.56	3.66	-48.24
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950959	0	41	-1.0	-59.83	349.12	1.55	-58.28
CS(=O)(=O)C1=CSC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950960	0	35	-1.0	-64.91	332.73	0.50	-64.41
CN(C1CCCCCC1)S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950961	0	46	-1.0	-55.89	341.04	4.75	-51.14
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950962	0	36	-1.0	-54.69	304.28	3.84	-50.85
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300017950963	0	46	-1.0	-58.64	376.65	3.10	-55.54
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950964	0	38	-1.0	-55.80	332.35	5.54	-50.26
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COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950967	0	33	-1.0	-56.13	302.63	2.46	-53.67
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300017950968	0	43	-1.0	-67.03	350.21	6.36	-60.67
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300017950969	0	40	-1.0	-58.28	333.90	4.08	-54.20
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(CCF)N=C1	REAL300017950970	0	35	-1.0	-55.42	312.10	2.72	-52.70
CCOCC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950971	0	42	-1.0	-59.47	355.73	4.76	-54.71
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950974	0	42	-1.0	-54.01	358.33	5.28	-48.73
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300017950975	0	45	-1.0	-56.65	365.79	4.97	-51.68
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300017950976	0	43	-1.0	-55.07	368.31	6.94	-48.13
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC=C1CF	REAL300017950977	0	35	-1.0	-62.16	299.44	5.10	-57.06
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(C)=C1Br	REAL300017950978	0	38	-1.0	-54.55	337.26	5.77	-48.78
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O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300017950980	0	36	-1.0	-58.59	329.74	5.71	-52.88
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])=C2	REAL300017950981	0	38	-1.0	-55.48	363.90	5.29	-50.19
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017950983	0	34	-1.0	-56.59	306.52	2.64	-53.95
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300017950984	0	37	-1.0	-64.98	336.09	5.21	-59.77
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300017950985	0	37	-1.0	-61.51	332.77	5.02	-56.49
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300017950986	0	41	-1.0	-60.94	338.29	6.91	-54.03
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950987	0	36	-1.0	-60.24	330.41	5.01	-55.23
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300017950988	0	39	-1.0	-56.14	335.83	4.40	-51.74
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CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])O1	REAL300017950991	0	38	-1.0	-64.50	343.25	0.33	-64.17
CN1C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300017950992	0	42	-1.0	-57.81	351.39	5.43	-52.38
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O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300017950996	0	36	-1.0	-56.64	332.83	5.84	-50.80
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CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300017950999	0	54	-1.0	-56.76	408.76	8.20	-48.56
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CC1=CC=C(CS(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1F	REAL300017972456	0	38	-1.0	-42.81	315.78	5.57	-37.24
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CC1=NC2=C(S(=O)(=O)NC3(CC(=O)[O-])CCC3)C=CC=C2C=C1	REAL300017972461	0	40	-1.0	-51.08	327.66	5.87	-45.21
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CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CC=C1Cl	REAL300017972469	0	35	-1.0	-53.11	303.68	5.22	-47.89
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CC1=CSC(C2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CCC3)C=C2)=N1	REAL300017972471	0	41	-1.0	-45.72	353.44	5.57	-40.15
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CC(CC(C)(C)C1=CC=CC=C1)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300017999912	0	53	-1.0	-49.39	391.10	12.83	-36.56
CN(C)C1=CC=CC=C1CNC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300017999913	0	46	-1.0	-48.45	361.86	9.17	-39.28
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=CC(C3=CC=CN=C3)=C2)C=C1	REAL300017999914	0	47	-1.0	-51.58	375.86	10.94	-40.64
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=CC(C3=CC=NC=C3)=C2)C=C1	REAL300017999915	0	47	-1.0	-51.33	377.80	11.00	-40.33
CN1CCN(C2=CC=C(CNC3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=C2)CC1	REAL300017999916	1	55	-1.0	-48.59	415.85	8.01	-40.58
CC1=NN(C)C(N2CCOCC2)=C1CNC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300017999917	0	54	-1.0	-50.21	409.84	7.17	-43.04
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=C(OC3=CN=CC=N3)C=C2)C=C1	REAL300017999918	0	47	-1.0	-51.48	387.97	7.78	-43.70
CC(C)(C(=O)[O-])C1=CC=C(NC2CCN(C3=CN=CC=N3)CC2)C=C1	REAL300017999919	0	48	-1.0	-51.08	370.23	7.36	-43.72
CC(C)(C(=O)[O-])C1=CC=C(NC2CCN(CC3=CC=C(Cl)C=C3)CC2)C=C1	REAL300017999920	1	53	-1.0	-48.78	419.04	10.60	-38.18
CC(C)(C(=O)[O-])C1=CC=C(NC2CCN(CC3=CC=CC=C3Cl)CC2)C=C1	REAL300017999921	1	53	-1.0	-49.45	417.76	10.55	-38.90
CC(C)(C(=O)[O-])C1=CC=C(NC2CCN(CC3=CC=CC=N3)CC2)C=C1	REAL300017999922	1	52	-1.0	-50.97	395.14	8.42	-42.55
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CN(C3=CC=C(F)C=C3)N=C2)C=C1	REAL300017999923	0	45	-1.0	-51.06	371.88	10.57	-40.49
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1CNC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300017999924	0	51	-1.0	-51.22	420.46	11.92	-39.30
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CN(C3=CC=C(Cl)C=C3)N=C2)C=C1	REAL300017999925	0	45	-1.0	-50.72	382.20	11.02	-39.70
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1CNC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300017999926	0	51	-1.0	-52.28	417.62	11.65	-40.63
CC(C)(C)N1C=C(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300017999927	0	47	-1.0	-50.61	371.15	9.15	-41.46
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=C(OCC(F)(F)F)C=C2)C=C1	REAL300017999929	0	45	-1.0	-50.04	377.56	9.99	-40.05
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC(Cl)=CC=C2OC(F)F)C=C1	REAL300017999931	0	42	-1.0	-49.26	363.30	9.47	-39.79
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=C(C3=CC=CC(Cl)=C3)S2)C=C1	REAL300017999932	0	45	-1.0	-50.29	391.21	12.58	-37.71
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CNN=C2C2=CC=C3OCOC3=C2)C=C1	REAL300017999933	0	48	-1.0	-53.49	386.27	8.47	-45.02
COC1=CC=CC(C2=NNC=C2CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300017999934	0	49	-1.0	-53.29	391.45	9.14	-44.15
COC1=CC(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CC=C1OCC(F)(F)F	REAL300017999935	0	49	-1.0	-52.26	406.81	9.88	-42.38
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CN=C(N3CCCC3)N=C2)C=C1	REAL300017999936	0	48	-1.0	-51.75	377.41	9.22	-42.53
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=C(OCC3=CC=NC=C3)C=C2)C=C1	REAL300017999937	0	51	-1.0	-51.40	414.53	10.87	-40.53
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=CC(OCC3=CC=CC=N3)=C2)C=C1	REAL300017999938	0	51	-1.0	-51.15	410.67	10.89	-40.26
CC(C)C1=NN(C)C=C1CNC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300017999940	0	47	-1.0	-50.65	371.84	8.93	-41.72
COCCOC1=CC=CC(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300017999941	0	49	-1.0	-52.47	391.62	8.80	-43.67
COC1=CC=C(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1Cl	REAL300017999942	0	42	-1.0	-49.89	353.92	9.19	-40.70
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC3=CC(Cl)=CC(Cl)=C3OC2)C=C1	REAL300017999943	0	44	-1.0	-49.68	387.28	10.88	-38.80
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CSC(C3=CC=CC=N3)=N2)C=C1	REAL300017999944	0	43	-1.0	-57.14	366.90	8.22	-48.92
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C=C1	REAL300017999945	0	46	-1.0	-54.01	374.58	9.15	-44.86
CC(C)N1C2=CC=CC=C2N=C1CNC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300017999946	0	50	-1.0	-53.84	389.77	10.88	-42.96
COC1=NC=C(Br)C=C1CNC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300017999947	0	41	-1.0	-48.77	354.00	6.65	-42.12
COC1=NC=CC=C1CNC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300017999948	0	41	-1.0	-50.70	334.40	6.10	-44.60
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=C(Br)C=N2)C=C1	REAL300017999949	0	37	-1.0	-50.18	324.68	8.10	-42.08
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CN=C(N3CCOCC3)S2)C=C1	REAL300017999950	0	47	-1.0	-49.56	380.32	6.62	-42.94
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=CC3=NC=CC=C23)C=C1	REAL300017999951	0	43	-1.0	-50.26	346.31	9.57	-40.69
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=CC(OCC(F)(F)F)=C2)C=C1	REAL300017999952	0	45	-1.0	-51.97	377.56	9.99	-41.98
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=CC3=C2OCCO3)C=C1	REAL300017999953	0	44	-1.0	-50.71	349.98	8.49	-42.22
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=CC3=C2OCCCO3)C=C1	REAL300017999954	0	47	-1.0	-50.61	370.20	9.30	-41.31
CC(C)(C(=O)[O-])C1=CC=C(NC2CC(C3=CC=CC(Cl)=C3)C2)C=C1	REAL300017999955	0	45	-1.0	-50.35	368.30	11.73	-38.62
CC(C)(C(=O)[O-])C1=CC=C(NC2CC(C3=CC=CC(Br)=C3)C2)C=C1	REAL300017999956	0	45	-1.0	-50.30	372.86	11.84	-38.46
CC(C)(C(=O)[O-])C1=CC=C(NC2CC(C3=CC=CC=C3Cl)C2)C=C1	REAL300017999957	0	45	-1.0	-49.91	365.17	11.66	-38.25
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CN=C(C3=CC=CC=C3)N=C2)C=C1	REAL300017999958	0	46	-1.0	-51.82	375.80	10.59	-41.23
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CN=C(N3CCOCC3)N=C2)C=C1	REAL300017999959	0	49	-1.0	-51.93	386.54	7.72	-44.21
CCCN1C2=CC=CC=C2N=C1CNC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300017999960	0	50	-1.0	-52.03	398.11	11.32	-40.71
CCCOC1=CC=CC(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300017999961	0	48	-1.0	-48.94	379.49	10.33	-38.61
C#CCCOC1=CC=C(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300017999962	0	47	-1.0	-49.77	387.02	10.90	-38.87
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC(C3=CC=CC=C3)=CS2)C=C1	REAL300017999963	0	45	-1.0	-49.19	374.44	11.92	-37.27
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=C(F)C(C3=CC=CS3)=C2)C=C1	REAL300017999964	0	45	-1.0	-49.44	383.34	12.08	-37.36
CC1=C2C=C(CNC3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=NC2=NN1	REAL300017999965	0	43	-1.0	-58.84	351.45	7.86	-50.98
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=CC(OC3CCCC3)=C2)C=C1	REAL300017999966	0	52	-1.0	-50.32	402.48	11.53	-38.79
CCC1=NC=C(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300017999967	0	40	-1.0	-49.12	336.58	8.05	-41.07
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=CC=C2N2C=NC=N2)C=C1	REAL300017999968	0	44	-1.0	-54.53	354.75	12.38	-42.15
CN1C=C(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C2=CC=CN=C2)=N1	REAL300017999969	0	47	-1.0	-54.86	379.91	9.32	-45.54
CN1C=C(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C2=CC=NC=C2)=N1	REAL300017999970	0	47	-1.0	-52.93	380.11	9.37	-43.56
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CN=C3C=CC=CN23)C=C1	REAL300017999971	0	41	-1.0	-52.73	335.23	9.77	-42.96
CN(C)C1=NC=C(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300017999972	0	42	-1.0	-50.86	349.72	8.34	-42.52
CC(C)OC1=CC=CC(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300017999973	0	48	-1.0	-50.44	377.66	10.19	-40.25
CN1C=C(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300017999974	0	51	-1.0	-57.22	418.64	11.14	-46.08
CC1=CC=C(C2=NC(CNC3=CC=C(C(C)(C)C(=O)[O-])C=C3)=CS2)C=C1	REAL300017999975	0	47	-1.0	-52.12	394.64	10.79	-41.33
CC(C)C1=NC(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CS1	REAL300017999976	0	43	-1.0	-50.69	356.15	8.36	-42.33
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CSC(C3CC3)=N2)C=C1	REAL300017999977	0	41	-1.0	-50.78	343.09	8.51	-42.27
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=CC(OCC3=CC=CC=C3F)=C2)C=C1	REAL300017999978	0	52	-1.0	-50.67	423.37	12.79	-37.88
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CSC(COC3=CC=CC=C3)=N2)C=C1	REAL300017999979	0	48	-1.0	-54.06	404.82	9.63	-44.43
CCC1=NC(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CS1	REAL300017999980	0	40	-1.0	-50.71	336.43	7.79	-42.92
CC(CCC1=CC=CC(F)=C1)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300017999981	0	47	-1.0	-50.29	374.33	11.74	-38.55
CC1=CC=CC(CCC(C)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300017999982	0	50	-1.0	-49.27	391.08	12.37	-36.90
CC(CCC1=CC=CC(C(F)(F)F)=C1)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300017999983	0	50	-1.0	-50.90	408.40	12.70	-38.20
CC1=CC=C(CCC(C)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300017999984	0	50	-1.0	-48.91	389.41	12.35	-36.56
CN1C=C(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300017999986	0	50	-1.0	-54.11	413.15	11.81	-42.30
CC1=CC=C(OCC2=NC(CNC3=CC=C(C(C)(C)C(=O)[O-])C=C3)=CS2)C=C1	REAL300017999988	0	51	-1.0	-53.55	424.47	10.27	-43.28
CC(C)=CCOC1=CC=C(CCC(C)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300017999989	0	61	-1.0	-50.14	473.17	13.95	-36.19
CC(C)(C)C1=NC(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=CS1	REAL300017999990	0	46	-1.0	-50.28	373.34	8.83	-41.45
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CSC(C3=CSC=C3)=N2)C=C1	REAL300017999991	0	41	-1.0	-51.05	362.52	9.01	-42.04
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=C(C3=CC=CC(F)=C3)S2)C=C1	REAL300017999992	0	45	-1.0	-51.16	380.89	12.13	-39.03
CC(C)(C(=O)[O-])C1=CC=C(NC2CCN(C3=CC=C(F)C=C3F)CC2)C=C1	REAL300017999993	0	50	-1.0	-49.30	394.72	10.22	-39.08
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC3=NC=CN=C3C=C2)C=C1	REAL300017999994	0	42	-1.0	-53.91	344.43	7.75	-46.16
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=CC=C2OC2CCCC2)C=C1	REAL300017999995	0	52	-1.0	-49.66	402.38	11.58	-38.08
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CN3C=C(Cl)C=CC3=N2)C=C1	REAL300017999996	0	41	-1.0	-53.54	352.09	10.35	-43.19
CC(C)(C)C1=NC=C(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)S1	REAL300017999997	0	46	-1.0	-49.03	375.23	9.13	-39.90
CC1=CC(CNC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C(C)S1	REAL300017999999	0	41	-1.0	-47.46	338.99	9.79	-37.67
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COC1=CC=C(CNC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C(Cl)=C1OC	REAL300018001639	1	46	-1.0	-52.66	394.62	9.85	-42.81
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CC1=NN(C)C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048599	1	38	-1.0	-41.95	336.18	7.01	-34.94
O=C([O-])C(NCC1=CC=CC2=C1OC(F)(F)O2)C1=CC=CC(C(F)(F)F)=C1	REAL300018048601	1	38	-1.0	-46.38	354.85	8.05	-38.33
O=C([O-])C(NCC1=CSC=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048606	0	31	-1.0	-47.55	299.81	5.89	-41.66
O=C([O-])C(NCC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048609	1	42	-1.0	-45.14	379.32	10.13	-35.01
CC(C)(C)N1C=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300018048610	1	44	-1.0	-46.92	376.84	8.67	-38.25
CN1N=CC=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048611	1	35	-1.0	-41.51	314.23	6.43	-35.08
O=C([O-])C(NCC1=CN=C(N2CCCC2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048612	1	45	-1.0	-47.11	384.55	8.79	-38.32
O=C([O-])C(NCC1=CSC(C2=CC=CC=N2)=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048616	0	40	-1.0	-62.14	375.79	7.82	-54.32
COC1=NC=CC=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048617	1	38	-1.0	-45.61	339.98	5.62	-39.99
O=C([O-])C(NCC1=CC=C(Br)C=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048618	1	34	-1.0	-45.95	329.89	7.63	-38.32
CC1=NC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018048620	1	34	-1.0	-43.60	320.47	6.77	-36.83
O=C([O-])C(NCC1=CC=CC2=C1OCCO2)C1=CC=CC(C(F)(F)F)=C1	REAL300018048621	1	41	-1.0	-52.50	358.31	8.12	-44.38
O=C([O-])C(NCC1=CC=CC2=C1OCCCO2)C1=CC=CC(C(F)(F)F)=C1	REAL300018048622	1	44	-1.0	-51.06	375.55	8.79	-42.27
O=C([O-])C(NCC1=CN=C(C2=CC=CC=C2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048625	1	43	-1.0	-47.38	383.02	10.18	-37.20
O=C([O-])C(NCC1=CN=C(N2CCOCC2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048626	1	46	-1.0	-46.88	393.43	7.34	-39.54
CC1=NC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300018048632	1	36	-1.0	-41.97	324.16	6.80	-35.17
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018048634	1	37	-1.0	-43.37	341.96	7.52	-35.85
CN(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018048636	0	39	-1.0	-49.57	357.18	7.94	-41.63
CC(C)C1=NC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300018048638	0	40	-1.0	-53.21	363.29	7.94	-45.27
O=C([O-])C(NCC1=CSC(C2CC2)=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048639	0	38	-1.0	-47.76	351.40	8.16	-39.60
CCC1=NC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300018048640	0	37	-1.0	-52.97	343.57	7.37	-45.60
CC(C)(C)C1=NC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300018048647	0	43	-1.0	-45.14	380.63	8.43	-36.71
O=C([O-])C(NCC1=CSC(C2=CSC=C2)=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048648	0	38	-1.0	-44.77	369.81	8.61	-36.16
O=C([O-])C(NCC1=CN2C=C(Cl)C=CC2=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048650	0	38	-1.0	-55.61	358.98	9.97	-45.64
CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018048651	0	43	-1.0	-43.71	380.62	8.59	-35.12
O=C([O-])C(NCC1=CC(C2=CC=CC=C2)=NN1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048660	1	42	-1.0	-43.81	373.15	8.76	-35.05
CCN1C=CN=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048662	0	38	-1.0	-54.85	331.94	8.28	-46.57
O=C([O-])C(NCC1=CN(C2=CC=CC=C2)N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048665	0	41	-1.0	-53.44	366.66	8.65	-44.79
O=C([O-])C(NCC1=NC(C2=CC=CC=C2)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048666	0	41	-1.0	-54.76	378.27	9.65	-45.11
COC1=CC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C2OC(C)CC2=C1	REAL300018048670	1	47	-1.0	-54.35	401.39	8.81	-45.54
CN1N=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C2=CC=CC=C21	REAL300018048671	1	41	-1.0	-50.85	365.19	8.89	-41.96
CN1C=CC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048672	0	35	-1.0	-51.48	316.47	6.57	-44.91
O=C([O-])C(NCC1=NC=CN1CC(F)(F)F)C1=CC=CC(C(F)(F)F)=C1	REAL300018048675	0	38	-1.0	-56.09	352.74	8.38	-47.71
CC1=NSC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048678	1	34	-1.0	-43.63	320.18	7.27	-36.36
O=C([O-])C(NCC1=COC(C2=CC=CC=C2)=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048679	0	41	-1.0	-48.38	371.83	7.31	-41.07
O=C([O-])C(NCC1=CSC(C2=CC=CS2)=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048680	0	38	-1.0	-48.31	371.72	8.80	-39.51
CC1=CSC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048682	0	34	-1.0	-43.75	320.34	6.55	-37.20
CN(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)N1C	REAL300018048685	1	43	-1.0	-42.49	372.26	7.92	-34.57
O=C([O-])C(NCC1=NC(C2=CC=CC=C2)=CN1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048686	0	42	-1.0	-45.90	372.85	9.21	-36.69
COC1=CC2=C(C=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)OCO2	REAL300018048697	1	42	-1.0	-50.71	369.87	6.91	-43.80
COC1=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)SC=C1	REAL300018048698	1	36	-1.0	-52.77	335.08	7.34	-45.43
CC1(C)CC2=CC=CC(CNC(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)=C2O1	REAL300018048704	1	46	-1.0	-48.93	391.27	10.09	-38.84
O=C([O-])C(NCC1=NC2=C(CCCC2)S1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048705	0	41	-1.0	-52.48	363.72	8.63	-43.85
O=C([O-])C(NCC1=CC=NC=C1Br)C1=CC=CC(C(F)(F)F)=C1	REAL300018048706	0	34	-1.0	-41.53	327.40	7.60	-33.93
O=C([O-])C(NCC1=CC=NC=C1Cl)C1=CC=CC(C(F)(F)F)=C1	REAL300018048707	1	34	-1.0	-41.70	323.51	7.47	-34.23
CC1=CC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=NN1C	REAL300018048708	0	38	-1.0	-51.80	337.85	7.09	-44.71
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300018048710	1	39	-1.0	-45.94	348.12	7.48	-38.46
CC1=CC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=NO1	REAL300018048712	0	34	-1.0	-47.35	312.41	7.06	-40.29
CCN1C=NC=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048713	1	38	-1.0	-50.94	331.75	9.08	-41.86
CC1=NC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)N1C	REAL300018048714	1	38	-1.0	-51.34	336.16	7.92	-43.42
O=C([O-])C(NCC1=CN=C2CCCN12)C1=CC=CC(C(F)(F)F)=C1	REAL300018048716	1	39	-1.0	-52.91	341.25	8.57	-44.34
O=C([O-])C(NCC1=CC=C(F)C=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048718	1	34	-1.0	-46.10	314.98	7.10	-39.00
CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300018048722	1	45	-1.0	-46.12	387.11	8.86	-37.26
CC1=NOC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048723	0	34	-1.0	-43.94	312.41	7.11	-36.83
CC1=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=CO1	REAL300018048724	1	35	-1.0	-45.47	315.94	7.60	-37.87
CC1=CC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(Cl)=C1	REAL300018048725	1	38	-1.0	-44.36	349.91	9.93	-34.43
O=C([O-])C(NCC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048726	1	37	-1.0	-39.80	354.44	9.86	-29.94
O=C([O-])C(NCC1=NOC=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048728	0	31	-1.0	-47.71	290.18	6.20	-41.51
O=C([O-])C(NCC1=C(Cl)C=CC2=CC=CN=C21)C1=CC=CC(C(F)(F)F)=C1	REAL300018048730	1	40	-1.0	-52.88	367.51	9.74	-43.14
O=C([O-])C(NCC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=CC(C(F)(F)F)=C1	REAL300018048732	0	37	-1.0	-39.62	356.72	9.93	-29.69
COCC1=CC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)O1	REAL300018048741	0	39	-1.0	-44.98	350.10	6.83	-38.15
CC1=CN=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)O1	REAL300018048745	0	34	-1.0	-45.70	311.18	4.37	-41.33
CC1=CNC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048747	0	35	-1.0	-49.70	315.30	6.22	-43.48
COC1=CC(C)=CC=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048749	1	42	-1.0	-47.50	363.79	8.88	-38.62
NC1=C(Cl)C=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048750	1	37	-1.0	-40.39	356.97	7.87	-32.52
CC1=NC(C)=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)O1	REAL300018048752	0	37	-1.0	-43.86	332.13	4.99	-38.87
CC1=CC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)N=C1	REAL300018048755	1	37	-1.0	-49.67	330.16	7.65	-42.02
O=C([O-])C(NCC1=CC=NS1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048756	1	31	-1.0	-43.57	298.56	6.64	-36.93
CC(C)N1C=CN=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048757	0	41	-1.0	-46.77	356.05	8.70	-38.07
O=C([O-])C(NCC1=NN(C2=CC=CC=C2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048762	0	42	-1.0	-53.56	372.64	9.95	-43.61
O=C([O-])C(NCC1=CN=C(C(F)(F)F)S1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048763	1	34	-1.0	-39.30	339.69	7.26	-32.04
CCC1=NN(C)C=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048765	1	41	-1.0	-44.59	359.23	7.96	-36.63
O=C([O-])C(NCC1=NN2CCCCC2=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048766	0	42	-1.0	-52.13	358.70	8.18	-43.95
COC1=NC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018048768	1	35	-1.0	-42.71	331.28	4.42	-38.29
CC1=NC=CN=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048770	1	36	-1.0	-44.27	320.72	5.63	-38.64
O=C([O-])C(NCC1=CC2=C(C=N1)OCCO2)C1=CC=CC(C(F)(F)F)=C1	REAL300018048772	1	40	-1.0	-49.70	354.67	6.33	-43.37
CCN1N=CN=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048776	0	37	-1.0	-49.90	328.47	8.11	-41.79
CN1C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CN=C1Cl	REAL300018048777	1	35	-1.0	-40.33	330.11	7.68	-32.65
CN1C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CN=C1Br	REAL300018048778	1	35	-1.0	-39.98	334.25	7.75	-32.23
O=C([O-])C(NCC1=CN(C2=CC=C(F)C=C2)N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048779	0	41	-1.0	-45.90	374.26	8.84	-37.06
O=C([O-])C(NCC1=CC(C(F)(F)F)=NN1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048780	1	35	-1.0	-39.73	334.69	6.19	-33.54
CC1=CN=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)N1C	REAL300018048781	0	38	-1.0	-45.89	335.24	7.79	-38.10
CCOC1=CC=CC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048784	1	41	-1.0	-53.64	364.55	6.49	-47.15
CC1=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)SN=N1	REAL300018048797	0	33	-1.0	-40.45	312.92	5.97	-34.48
COC1=C(C)C=NC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1C	REAL300018048799	1	44	-1.0	-48.37	375.21	7.62	-40.75
COC1=CC2=CC=CC=C2C=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048800	1	45	-1.0	-49.46	387.88	10.43	-39.03
CS(=O)(=O)C1=CC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018048802	1	38	-1.0	-52.21	368.04	5.61	-46.60
NC1=C(F)C=CC=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048803	1	37	-1.0	-44.43	332.21	6.91	-37.52
O=C([O-])C(NCC1=CC2=CC(Cl)=CN=C2O1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048805	1	37	-1.0	-44.76	354.90	6.88	-37.88
O=C([O-])C(NCC1=NC(Cl)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048807	0	31	-1.0	-50.63	316.94	6.44	-44.19
COC1=NSC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048808	1	35	-1.0	-41.22	330.94	4.78	-36.44
CC1=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=NN1C	REAL300018048810	1	38	-1.0	-47.05	335.45	7.11	-39.94
O=C([O-])C(NCC1=CN=C(C2CC2)O1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048815	0	38	-1.0	-46.95	344.20	6.22	-40.73
O=C([O-])C(NCC1=NC2=CC=C(F)C=C2S1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048817	0	37	-1.0	-49.37	353.03	8.45	-40.92
CCOC1=CN=CC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048819	1	41	-1.0	-48.50	361.48	7.28	-41.22
CN1N=C(C2CC2)C=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048822	1	42	-1.0	-42.50	366.08	8.48	-34.02
O=C([O-])C(NCC1=CC=NN1CC1CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048828	1	42	-1.0	-46.24	369.61	8.98	-37.26
CN1N=CN=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048831	0	34	-1.0	-49.83	309.13	7.15	-42.68
NS(=O)(=O)C1=CC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)O1	REAL300018048832	0	37	-1.0	-51.72	351.31	2.01	-49.71
COC1=CN=CC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1C	REAL300018048835	1	41	-1.0	-43.28	352.60	6.91	-36.37
CCC1=CNC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048836	0	38	-1.0	-46.51	338.26	7.00	-39.51
O=C([O-])C(NCC1=CC2=CN=CC=C2O1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048838	0	37	-1.0	-49.81	336.46	7.70	-42.11
O=C([O-])C(NCC1=CSC(C(F)(F)F)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048842	1	35	-1.0	-42.35	344.38	8.96	-33.39
CC1=C(C)NC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048844	0	38	-1.0	-47.04	336.29	6.74	-40.30
O=C([O-])C(NCC1=CC=C(C(F)F)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048848	1	37	-1.0	-41.50	343.34	7.96	-33.54
O=C([O-])C(NCC1=NC=C(Br)S1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048850	0	31	-1.0	-47.22	321.41	6.81	-40.41
CN1C=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(C(F)F)=N1	REAL300018048853	1	38	-1.0	-46.60	350.00	7.45	-39.15
NS(=O)(=O)C1=CC=CC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048859	1	40	-1.0	-56.91	369.37	3.83	-53.08
CCCN1N=CC=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048860	1	41	-1.0	-41.02	353.18	8.16	-32.86
O=C([O-])C(NCC1=C2CCCN2N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048862	1	39	-1.0	-48.87	340.23	7.43	-41.44
O=C([O-])C(NCC1=NN2CCCC2=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048863	0	39	-1.0	-57.62	341.69	7.41	-50.21
O=C([O-])C(NCC1=NC=C(C(F)(F)F)S1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048864	0	34	-1.0	-46.55	340.82	7.19	-39.36
O=C([O-])C(NCC1=CC2=CC=CN=C2O1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048867	0	37	-1.0	-56.56	337.81	6.36	-50.20
O=C([O-])C(NCC1=CC2=CC(F)=CC=C2O1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048874	0	38	-1.0	-45.15	349.25	9.52	-35.63
CN(C)CC1=NC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300018048878	0	42	-1.0	-52.44	377.84	5.64	-46.80
O=C([O-])C(NCC1=CC(C2=CC=CC=N2)=NN1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048885	1	41	-1.0	-47.67	370.14	7.11	-40.56
CC1CCC2=C(C1)SC(CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)=N2	REAL300018048891	0	44	-1.0	-44.54	383.09	9.18	-35.36
CCC1=CN=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018048892	0	37	-1.0	-50.99	343.36	7.60	-43.39
O=C([O-])C(NCC1=CC=C(F)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048893	1	34	-1.0	-47.09	316.78	7.07	-40.02
O=C([O-])C(NCC1=NOC(C2CCC2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048901	0	41	-1.0	-48.55	358.90	9.07	-39.48
CC1(C2=CC(CNC(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)=NO2)CC1	REAL300018048902	0	41	-1.0	-44.14	361.51	9.03	-35.11
O=C([O-])C(NCC1=CN=C2CCCCCN12)C1=CC=CC(C(F)(F)F)=C1	REAL300018048906	1	45	-1.0	-43.77	368.76	9.20	-34.57
O=C([O-])C(NCC1=CC(C2=CC=CC=C2)=NO1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048908	0	41	-1.0	-45.36	370.45	10.08	-35.28
O=C([O-])C(NCC1=CN=C(C2CCOCC2)O1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048917	0	45	-1.0	-47.10	387.45	5.34	-41.76
O=C([O-])C(NCC1=NOC(C2CC2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048918	0	38	-1.0	-44.38	342.65	8.58	-35.80
CC1=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)NN=C1C(F)(F)F	REAL300018048922	1	38	-1.0	-38.98	353.30	6.78	-32.20
O=C([O-])C(NCC1=NC(C2CC2)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048925	0	38	-1.0	-52.03	351.12	8.13	-43.90
O=C([O-])C(NCC1=CN(CC2CC2)N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048926	0	41	-1.0	-47.84	364.73	7.78	-40.06
O=C([O-])C(NCC1=NC2=C(CCCC2)N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048928	0	42	-1.0	-46.84	357.91	8.01	-38.83
CCN1C=CC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048935	0	38	-1.0	-51.74	338.00	7.44	-44.30
CC1=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)OC2=CC=C(F)C=C12	REAL300018048940	0	41	-1.0	-44.82	368.32	10.08	-34.74
CN1N=C(C2=CC=CC=C2)C=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048942	1	45	-1.0	-43.21	393.70	9.99	-33.22
CCCN1C=CC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048943	0	41	-1.0	-51.57	359.50	8.20	-43.37
CC(C)N1C=CC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048944	0	41	-1.0	-51.30	356.68	7.95	-43.35
O=C([O-])C(NCC1=NN(CC(F)(F)F)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048946	0	38	-1.0	-54.38	356.03	7.90	-46.48
CN1C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=NC2=C1CCCC2	REAL300018048947	0	45	-1.0	-56.79	377.91	9.56	-47.23
CC1=CC=CC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048948	1	37	-1.0	-49.87	329.25	7.61	-42.26
O=C([O-])C(NCC1=CC2=CC=CC=C2C=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048949	1	40	-1.0	-48.88	355.23	9.28	-39.60
COC1=NC(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC=C1C	REAL300018048950	1	41	-1.0	-53.56	362.84	6.28	-47.28
O=C([O-])C(NCC1=CC=CC(C(F)F)=C1F)C1=CC=CC(C(F)(F)F)=C1	REAL300018048951	1	38	-1.0	-56.17	352.21	9.79	-46.38
CCOC1=CC=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048953	1	42	-1.0	-50.17	382.21	9.65	-40.52
O=C([O-])C(NCC1=CC2=C(CCCC2)O1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048954	0	42	-1.0	-47.98	359.24	9.75	-38.23
CCC(C)N1N=CC=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048955	1	44	-1.0	-41.63	375.27	8.65	-32.98
O=C([O-])C(NCC1=CN(C2CCCCC2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048956	1	48	-1.0	-49.75	400.16	9.96	-39.79
COC1=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=CC=C1C(C)(C)C	REAL300018048958	1	51	-1.0	-49.45	409.03	10.61	-38.84
CN1C=C(Br)N=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048959	0	35	-1.0	-54.21	336.53	7.74	-46.47
O=C([O-])C(NCC1=NC2=CC=CC=C2S1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048961	0	37	-1.0	-53.87	346.85	8.33	-45.54
CCCN1C=NC=C1CNC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048965	1	41	-1.0	-43.00	351.12	9.70	-33.30
CCC1=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=NN1CC	REAL300018048969	1	44	-1.0	-46.66	377.64	8.79	-37.87
CC1=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(C(F)(F)F)=CO1	REAL300018048970	1	38	-1.0	-48.59	353.66	8.62	-39.97
O=C([O-])C(NCC1=CC(C2=CC=NC=C2)=NN1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048980	1	41	-1.0	-43.01	368.40	6.98	-36.03
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)N=C1	REAL300018048982	1	40	-1.0	-52.99	351.75	8.48	-44.51
O=C([O-])C(NCC1=CC=C(C(F)(F)F)C=C1F)C1=CC=CC(C(F)(F)F)=C1	REAL300018048986	1	38	-1.0	-40.75	358.25	9.91	-30.84
CC1=NN(C2CCCC2)C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048988	1	48	-1.0	-46.89	403.05	10.01	-36.88
O=C([O-])C(NCC1=CC=NN1CC(F)F)C1=CC=CC(C(F)(F)F)=C1	REAL300018048989	1	38	-1.0	-41.04	345.00	7.65	-33.39
O=C([O-])C(NCC1=CN(C2=CC=CC(F)=C2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048991	1	42	-1.0	-48.43	380.52	10.24	-38.19
O=C([O-])C(NCC1=NN(C2CCC2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048992	0	42	-1.0	-51.42	362.18	8.56	-42.86
O=C([O-])C(NCC1=NN(CC(F)F)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048993	0	38	-1.0	-54.36	349.85	7.76	-46.60
O=C([O-])C(NCC1=NN(C2CC2(F)F)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048994	0	39	-1.0	-55.89	359.66	8.27	-47.62
CC1=CN(C)C(CNC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048995	0	38	-1.0	-55.58	336.75	7.85	-47.73
O=C([O-])C(NCC1=NN(C2CCCC2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048997	0	45	-1.0	-50.09	381.27	9.26	-40.83
CC1=CC=C(CNC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C=C1F	REAL300018049865	0	47	-1.0	-56.12	374.93	10.92	-45.20
CC1(C)CCCCC1NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049866	0	53	-1.0	-54.21	378.31	10.92	-43.29
O=C([O-])C1=CC(NCC2=CC(Cl)=CC=C2[N+](=O)[O-])=CC=C1N1CCCCC1	REAL300018049868	0	46	-1.0	-60.10	386.66	11.41	-48.69
CC(C)=CCCC(C)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049869	0	53	-1.0	-54.84	401.77	11.57	-43.27
CC1(C)CC(NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC(C)(C)C1	REAL300018049870	1	59	-1.0	-53.94	420.46	11.72	-42.22
CC(CCC1=CNC2=CC=CC=C12)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049871	0	57	-1.0	-60.35	441.39	12.65	-47.70
O=C([O-])C1=CC(NCC2=CC=C(C3=CC=CS3)C=C2)=CC=C1N1CCCCC1	REAL300018049872	0	51	-1.0	-56.53	415.57	12.83	-43.70
O=C([O-])C1=CC(NCC2=CC3=CC=CC=C3S2)=CC=C1N1CCCCC1	REAL300018049873	0	47	-1.0	-56.87	385.60	11.74	-45.13
CC(C)OC1=CC=C(CNC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C=C1	REAL300018049874	0	54	-1.0	-56.30	417.49	11.06	-45.24
CC1=CC(CNC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)=CC=C1F	REAL300018049875	0	47	-1.0	-55.39	374.93	10.91	-44.48
CC1CCC(C)C(NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300018049876	0	53	-1.0	-54.19	380.46	10.86	-43.33
O=C([O-])C1=CC(NCC2=C3NC=CC3=CC=C2)=CC=C1N1CCCCC1	REAL300018049877	0	48	-1.0	-56.80	379.57	10.22	-46.58
O=C([O-])C1=CC(NCC2=CSC([N+](=O)[O-])=C2)=CC=C1N1CCCCC1	REAL300018049878	0	43	-1.0	-59.33	368.26	10.00	-49.33
O=C([O-])C1=CC(NCC2=CC=CC=C2N2CCOCC2)=CC=C1N1CCCCC1	REAL300018049879	0	57	-1.0	-55.88	434.83	9.61	-46.27
CC1CC(C)CC(NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300018049880	0	53	-1.0	-53.94	390.72	11.00	-42.94
CC(C)CC1=CC=C(CNC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C=C1	REAL300018049881	0	56	-1.0	-54.82	429.35	12.90	-41.92
CC1=CC(C)=CC(CNC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)=C1	REAL300018049882	0	50	-1.0	-55.25	391.02	11.54	-43.71
COC1=CC=C(CNC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300018049883	0	50	-1.0	-63.15	403.73	10.95	-52.20
O=C([O-])C1=CC(NCC2=CC(Cl)=CC(Cl)=C2)=CC=C1N1CCCCC1	REAL300018049884	0	44	-1.0	-54.60	381.67	11.22	-43.38
CC1=CC=CC(C)=C1CNC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049885	0	50	-1.0	-54.94	382.83	11.27	-43.67
O=C([O-])C1=CC(NCC2=CC=CC(OC(F)F)=C2)=CC=C1N1CCCCC1	REAL300018049886	0	48	-1.0	-58.16	387.47	9.79	-48.37
CCOC1=CC=C(CNC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C=C1OCC	REAL300018049887	0	58	-1.0	-58.36	450.67	11.25	-47.11
O=C([O-])C1=CC(NCC2=NC=CS2)=CC=C1N1CCCCC1	REAL300018049888	0	40	-1.0	-56.81	332.99	7.35	-49.46
CC(C)C1CCC(NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC1	REAL300018049889	0	56	-1.0	-55.15	400.51	11.81	-43.34
O=C([O-])C1=CC(NCC2=CN=CN=C2)=CC=C1N1CCCCC1	REAL300018049890	0	42	-1.0	-57.34	337.84	8.23	-49.11
O=C([O-])C1=CC(NCC2=CC=C3OC(F)(F)OC3=C2)=CC=C1N1CCCCC1	REAL300018049891	0	47	-1.0	-57.57	387.81	9.32	-48.25
O=C([O-])C1=CC(NCC2=CC=NC3=CC=CC=C23)=CC=C1N1CCCCC1	REAL300018049892	0	49	-1.0	-57.99	386.37	10.44	-47.55
O=C([O-])C1=CC(NCC2=CC=CC(OC(F)(F)F)=C2)=CC=C1N1CCCCC1	REAL300018049893	0	48	-1.0	-55.67	394.21	10.01	-45.66
CS(=O)(=O)C1=CC=C(CNC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C=C1	REAL300018049894	0	50	-1.0	-64.86	408.90	7.74	-57.12
CC1CCCC1NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049895	0	47	-1.0	-54.42	352.41	9.91	-44.51
CC(CCOCC1=CC=CC=C1)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049896	0	57	-1.0	-56.99	443.50	11.88	-45.11
O=C([O-])C1=CC(NC2CC(C3=CC=C(Cl)C=C3)C2)=CC=C1N1CCCCC1	REAL300018049897	0	51	-1.0	-56.15	408.14	12.62	-43.53
O=C([O-])C1=CC(NC2CCOCC2)=CC=C1N1CCCCC1	REAL300018049898	0	45	-1.0	-55.08	340.05	7.39	-47.69
CC(C)CCCC(C)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049899	0	55	-1.0	-54.74	410.13	11.66	-43.08
CCCCC(CC)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049900	0	52	-1.0	-55.28	392.33	11.30	-43.98
COC1=CC=C(CNC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300018049901	0	54	-1.0	-57.74	419.40	11.67	-46.07
CCC1=CC=C(CNC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)S1	REAL300018049902	0	47	-1.0	-54.96	381.80	10.88	-44.08
O=C([O-])C1=CC(NCC2=CCCOC2)=CC=C1N1CCCCC1	REAL300018049903	0	46	-1.0	-56.00	355.20	8.03	-47.97
CN1C2=CC=CC=C2N=C1CNC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049904	0	50	-1.0	-61.40	394.62	10.54	-50.86
O=C([O-])C1=CC(NCC2=CC=C3OCCC3=C2)=CC=C1N1CCCCC1	REAL300018049905	0	49	-1.0	-56.95	384.10	10.06	-46.89
O=C([O-])C1=CC(NCC2=CSC(Br)=C2)=CC=C1N1CCCCC1	REAL300018049906	0	41	-1.0	-54.76	359.86	9.87	-44.89
O=C([O-])C1=CC(NCC2=CC=C(N3CCCC3)N=C2)=CC=C1N1CCCCC1	REAL300018049907	0	55	-1.0	-57.91	422.13	10.12	-47.79
O=C([O-])C1=CC(NCC2=CN=CS2)=CC=C1N1CCCCC1	REAL300018049908	0	40	-1.0	-56.36	332.96	7.46	-48.90
O=C([O-])C1=CC(NCC2=C3C=CNC3=CC=C2)=CC=C1N1CCCCC1	REAL300018049909	0	48	-1.0	-58.40	379.39	10.23	-48.17
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COC1=CC=C(C(NCC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1	REAL300018053999	1	45	-1.0	-48.35	365.26	7.09	-41.26
CC1=CC=C(CNCC2=CC=C(C(=O)[O-])C=C2Br)C=C1F	REAL300018054991	1	35	-1.0	-48.27	323.24	8.65	-39.62
O=C([O-])C1=CC=C(CNCC2=CC(Cl)=CC=C2[N+](=O)[O-])C(Br)=C1	REAL300018054994	0	34	-1.0	-49.38	333.32	9.02	-40.36
O=C([O-])C1=CC=C(CNCC2=CC3=CC=CC=C3S2)C(Br)=C1	REAL300018054998	1	35	-1.0	-50.15	333.91	9.47	-40.68
CC(C)OC1=CC=C(CNCC2=CC=C(C(=O)[O-])C=C2Br)C=C1	REAL300018054999	1	42	-1.0	-49.23	365.81	8.79	-40.44
CC1=CC(CNCC2=CC=C(C(=O)[O-])C=C2Br)=CC=C1F	REAL300018055000	1	35	-1.0	-48.51	323.24	8.64	-39.87
COC1=CC(CNCC2=CC(Cl)=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300018065551	0	38	-1.0	-58.73	342.11	8.59	-50.14
COC1=CC=C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)C(Cl)=C1OC	REAL300018065555	1	44	-1.0	-60.79	381.80	7.26	-53.53
COC1=CC(CNCC2=CSC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300018065563	0	35	-1.0	-61.36	325.47	7.31	-54.05
COC1=CC=C(Br)C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065567	0	40	-1.0	-56.90	350.46	7.37	-49.53
COC1=CC=C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1[N+](=O)[O-]	REAL300018065568	1	42	-1.0	-65.98	360.95	8.25	-57.73
COC1=CC(CNCC2=CC=C(F)C=C2Br)=CC=C1C(=O)[O-]	REAL300018065575	0	36	-1.0	-57.51	330.28	8.08	-49.43
COC1=CC(CNCC2=CC=C(S(C)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300018065579	1	42	-1.0	-66.14	366.12	5.04	-61.10
COC1=CC(CNCC2=NC3=CC=CC=C3N2C)=CC=C1C(=O)[O-]	REAL300018065587	0	42	-1.0	-63.90	351.84	7.87	-56.03
COC1=CC(CNCC2=CSC(Br)=C2)=CC=C1C(=O)[O-]	REAL300018065589	1	33	-1.0	-55.95	317.08	7.18	-48.77
COC1=CC(CNCC2=CC=CC=C2OCC2=CC=NC=C2)=CC=C1C(=O)[O-]	REAL300018065590	1	49	-1.0	-59.38	410.50	9.07	-50.31
COC1=CC(CNCC2=CC=CC=C2OCC2=CC=CN=C2)=CC=C1C(=O)[O-]	REAL300018065591	1	49	-1.0	-58.35	410.46	9.05	-49.30
COC1=CC(CNCC2=CC=CC3=C2OC(F)(F)O3)=CC=C1C(=O)[O-]	REAL300018065597	1	39	-1.0	-61.87	345.00	6.60	-55.27
COC1=CC(CNCC2=C(N3CCOCC3)N(C)N=C2C)=CC=C1C(=O)[O-]	REAL300018065605	1	52	-1.0	-58.85	409.63	5.05	-53.80
COC1=CC(CNCC2=CN(C3=CC=C(F)C=C3)N=C2)=CC=C1C(=O)[O-]	REAL300018065611	1	43	-1.0	-60.26	370.66	8.79	-51.47
COC1=CC(CNCC2=C(C)N(C3=CC=C(Cl)C=C3)N=C2C)=CC=C1C(=O)[O-]	REAL300018065612	1	49	-1.0	-60.74	418.47	10.12	-50.62
COC1=CC(CNCC2=CN(C3=CC=C(Cl)C=C3)N=C2)=CC=C1C(=O)[O-]	REAL300018065613	1	43	-1.0	-59.90	380.98	9.24	-50.66
COC1=CC(CNCC2=CN(C(C)(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300018065614	1	45	-1.0	-59.21	368.19	7.33	-51.88
COC1=CC(CNCC2=CC(Cl)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300018065618	1	40	-1.0	-58.03	360.23	7.64	-50.39
COC1=CC(CNCC2=CN=C(N3CCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300018065623	1	46	-1.0	-61.59	374.44	7.39	-54.20
COC1=CC(CNCC2=CN(C)N=C2C(C)C)=CC=C1C(=O)[O-]	REAL300018065627	1	45	-1.0	-60.25	370.63	7.14	-53.11
COC1=CC(CNCC2=CSC(C3=CC=CC=N3)=N2)=CC=C1C(=O)[O-]	REAL300018065631	0	41	-1.0	-64.39	365.68	6.43	-57.96
COC1=CC(CNCC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=CC=C1C(=O)[O-]	REAL300018065632	0	44	-1.0	-63.77	371.61	7.41	-56.36
COC1=CC(CNCC2=NC3=CC=CC=C3N2C(C)C)=CC=C1C(=O)[O-]	REAL300018065633	0	48	-1.0	-62.91	386.81	9.10	-53.81
COC1=CC(CNCC2=CC(Br)=CN=C2OC)=CC=C1C(=O)[O-]	REAL300018065634	0	39	-1.0	-57.69	352.78	4.86	-52.83
COC1=CC(CNCC2=CC=CN=C2OC)=CC=C1C(=O)[O-]	REAL300018065635	1	39	-1.0	-59.61	331.44	4.27	-55.34
COC1=CC(CNCC2=CC=C(Br)C=N2)=CC=C1C(=O)[O-]	REAL300018065636	1	35	-1.0	-57.94	321.71	6.28	-51.66
COC1=CC(CNCC2=CN=C(N3CCOCC3)S2)=CC=C1C(=O)[O-]	REAL300018065637	1	45	-1.0	-59.21	379.11	4.82	-54.39
COC1=CC(CNCC2=CC=CC3=C2OCCO3)=CC=C1C(=O)[O-]	REAL300018065640	1	42	-1.0	-59.43	348.77	6.70	-52.73
COC1=CC(CNCC2=CC=CC3=C2OCCCO3)=CC=C1C(=O)[O-]	REAL300018065641	1	45	-1.0	-58.29	367.24	7.48	-50.81
COC1=CC(CNCC2=CN=C(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300018065645	1	44	-1.0	-61.87	374.59	8.80	-53.07
COC1=CC(CNCC2=CN=C(N3CCOCC3)N=C2)=CC=C1C(=O)[O-]	REAL300018065646	1	47	-1.0	-61.33	383.57	5.89	-55.44
CCCN1C2=CC=CC=C2N=C1CNCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065647	0	48	-1.0	-63.03	391.28	9.59	-53.44
CCC1=NC=C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300018065654	1	38	-1.0	-57.65	333.61	6.22	-51.43
COC1=CC(CNCC2=CN=C3C=CC=CN23)=CC=C1C(=O)[O-]	REAL300018065658	1	39	-1.0	-62.24	332.27	7.94	-54.30
COC1=CC(CNCC2=CN=C(N(C)C)S2)=CC=C1C(=O)[O-]	REAL300018065659	1	40	-1.0	-59.36	347.04	6.43	-52.93
COC1=CC(CNCC2=CSC(C3=CC=C(C)C=C3)=N2)=CC=C1C(=O)[O-]	REAL300018065662	0	45	-1.0	-58.83	391.68	8.98	-49.85
COC1=CC(CNCC2=CSC(C(C)C)=N2)=CC=C1C(=O)[O-]	REAL300018065663	0	41	-1.0	-57.93	353.19	6.54	-51.39
COC1=CC(CNCC2=CSC(C3CC3)=N2)=CC=C1C(=O)[O-]	REAL300018065664	0	39	-1.0	-58.40	341.87	6.73	-51.67
COC1=CC(CNCC2=CSC(COC3=CC=CC=C3)=N2)=CC=C1C(=O)[O-]	REAL300018065666	0	46	-1.0	-61.08	401.86	7.82	-53.26
CCC1=NC(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)=CS1	REAL300018065667	0	38	-1.0	-57.24	333.47	5.97	-51.27
COC1=CC(CNCC2=CSC(COC3=CC=C(C)C=C3)=N2)=CC=C1C(=O)[O-]	REAL300018065675	0	49	-1.0	-61.97	423.26	8.49	-53.48
COC1=CC(CNCC2=CSC(C(C)(C)C)=N2)=CC=C1C(=O)[O-]	REAL300018065677	0	44	-1.0	-57.05	372.13	7.05	-50.00
COC1=CC(CNCC2=CSC(C3=CSC=C3)=N2)=CC=C1C(=O)[O-]	REAL300018065678	0	39	-1.0	-58.86	361.30	7.24	-51.62
COC1=CC(CNCC2=CC=CC=C2OC2CCCC2)=CC=C1C(=O)[O-]	REAL300018065682	1	50	-1.0	-56.86	399.41	9.76	-47.10
COC1=CC(CNCC2=CN3C=C(Cl)C=CC3=N2)=CC=C1C(=O)[O-]	REAL300018065683	0	39	-1.0	-60.28	349.12	8.52	-51.76
COC1=CC(CNCC2=CN=C(C(C)(C)C)S2)=CC=C1C(=O)[O-]	REAL300018065684	1	44	-1.0	-57.58	372.26	7.29	-50.29
COC1=CC(CNCC2=CC([N+](=O)[O-])=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300018065688	0	42	-1.0	-61.05	371.71	7.79	-53.26
COC1=CC(CNCC2=CC(Cl)=CC(Cl)=C2OC)=CC=C1C(=O)[O-]	REAL300018065689	1	40	-1.0	-57.89	368.04	7.92	-49.97
COC1=CC(CNCC2=CC(C3=CC=CC=C3)=NN2)=CC=C1C(=O)[O-]	REAL300018065702	1	43	-1.0	-61.55	364.83	7.43	-54.12
CCOC1=CC=C([N+](=O)[O-])C=C1CNCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065703	0	45	-1.0	-59.64	383.81	8.45	-51.19
COC1=CC(CNCC2=C(OCC(F)(F)F)N(C)N=C2C)=CC=C1C(=O)[O-]	REAL300018065704	0	46	-1.0	-61.82	402.83	6.03	-55.79
COC1=CC(CNCC2=CN(C3=CC=CC=C3)N=N2)=CC=C1C(=O)[O-]	REAL300018065706	0	42	-1.0	-65.13	358.33	7.33	-57.80
COC1=CC(CNCC2=NC(C3=CC=CC=C3)=CS2)=CC=C1C(=O)[O-]	REAL300018065707	0	42	-1.0	-59.63	368.52	8.28	-51.35
CCN1N=C(C)C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1C	REAL300018065708	1	45	-1.0	-59.99	368.10	7.12	-52.87
COC1=CC(CNCC2=CN=C(C3=CC=CC=C3)S2)=CC=C1C(=O)[O-]	REAL300018065711	1	42	-1.0	-59.47	370.45	8.53	-50.94
COC1=CC(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)=C2OC(C)CC2=C1	REAL300018065715	1	48	-1.0	-59.46	391.86	7.38	-52.08
COC1=CC(CNCC2=NN(C)C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300018065716	1	42	-1.0	-60.82	355.37	7.43	-53.39
COC1=CC(CNCC2=NC=CN2CC(F)(F)F)=CC=C1C(=O)[O-]	REAL300018065719	0	39	-1.0	-61.80	342.97	7.00	-54.80
COC1=CC(CNCC2=CSC(C3=CC=C4OCOC4=C3)=N2)=CC=C1C(=O)[O-]	REAL300018065722	0	45	-1.0	-60.65	396.31	6.97	-53.68
COC1=CC(CNCC2=COC(C3=CC=CC=C3)=N2)=CC=C1C(=O)[O-]	REAL300018065724	0	42	-1.0	-61.82	362.08	5.94	-55.88
COC1=CC(CNCC2=CSC(C3=CC=CS3)=N2)=CC=C1C(=O)[O-]	REAL300018065725	0	39	-1.0	-59.96	361.90	7.33	-52.63
COC1=CC(CNCC2=CC=C(Br)C=C2Cl)=CC=C1C(=O)[O-]	REAL300018065730	1	36	-1.0	-57.01	341.11	8.54	-48.47
COC1=CC(CNCC2=CN=C(N(C)C)N2C)=CC=C1C(=O)[O-]	REAL300018065732	1	44	-1.0	-60.83	364.06	6.58	-54.25
COC1=CC(CNCC2=NC(C3=CC=CC=C3)=CN2)=CC=C1C(=O)[O-]	REAL300018065733	0	43	-1.0	-62.94	364.35	7.83	-55.11
COC1=CC(CNCC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)=CC=C1C(=O)[O-]	REAL300018065739	0	44	-1.0	-60.62	398.47	8.97	-51.65
COC1=CC2=C(C=C1CNCC1=CC=C(C(=O)[O-])C(OC)=C1)OCO2	REAL300018065744	1	43	-1.0	-59.82	359.90	5.50	-54.32
COC1=CC(Cl)=C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OC	REAL300018065745	1	44	-1.0	-58.86	376.09	7.18	-51.68
COC1=C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)SC=C1	REAL300018065746	1	37	-1.0	-56.55	325.54	5.92	-50.63
COC1=CC(CNCC2=CC=CC=C2OCC(C)C)=CC=C1C(=O)[O-]	REAL300018065751	1	49	-1.0	-56.91	397.32	9.27	-47.64
COC1=CC(CNCC2=CC=CC3=C2OC(C)(C)C3)=CC=C1C(=O)[O-]	REAL300018065752	1	47	-1.0	-58.71	382.64	8.72	-49.99
COC1=CC(CNCC2=C(Cl)C=NC=C2Cl)=CC=C1C(=O)[O-]	REAL300018065753	0	35	-1.0	-55.59	328.88	6.56	-49.03
COC1=CC(CNCC2=NC3=C(CCCC3)S2)=CC=C1C(=O)[O-]	REAL300018065754	0	42	-1.0	-57.97	353.95	7.26	-50.71
COC1=CC(CNCC2=CC=NC=C2Br)=CC=C1C(=O)[O-]	REAL300018065755	0	35	-1.0	-58.22	319.06	6.24	-51.98
COC1=CC(CNCC2=CC=NC=C2Cl)=CC=C1C(=O)[O-]	REAL300018065756	0	35	-1.0	-57.19	312.80	6.20	-50.99
COC1=CC(CNCC2=CC(F)=CC(Br)=C2)=CC=C1C(=O)[O-]	REAL300018065758	1	36	-1.0	-56.56	333.13	8.20	-48.36
CCC1=NC=C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)C=N1	REAL300018065761	1	40	-1.0	-59.53	338.38	6.10	-53.43
COC1=CC(CNCC2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300018065763	1	41	-1.0	-63.53	366.24	9.27	-54.26
COC1=CC(CNCC2=CC3=CC(Br)=CC=C3O2)=CC=C1C(=O)[O-]	REAL300018065768	1	39	-1.0	-59.20	354.60	8.65	-50.55
COC1=CC(CNCC2=CN=C3CCCN23)=CC=C1C(=O)[O-]	REAL300018065769	1	40	-1.0	-62.26	331.43	7.09	-55.17
COC1=CC(F)=CC(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065771	1	40	-1.0	-57.94	341.34	6.88	-51.06
COC1=CC(CNCC2=CN=C(C(C)(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300018065773	1	46	-1.0	-59.42	377.05	7.47	-51.95
COC1=CC(CNCC2=CC=C(C)C=C2Cl)=CC=C1C(=O)[O-]	REAL300018065775	1	39	-1.0	-56.97	341.23	8.59	-48.38
COC1=CC=C(OC(F)F)C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065776	1	44	-1.0	-59.55	372.97	6.40	-53.15
COC1=CC(CNCC2=C(Cl)C=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300018065777	0	40	-1.0	-58.08	357.38	7.55	-50.53
COC1=CC(CNCC2=CC=C([N+](=O)[O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300018065778	1	38	-1.0	-61.70	346.10	8.55	-53.15
COC1=CC(CNCC2=CN=C(C3=CC=C(C)C=C3)S2)=CC=C1C(=O)[O-]	REAL300018065783	1	45	-1.0	-59.35	391.85	9.21	-50.14
COC1=CC(CNCC2=C(Cl)C=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300018065785	1	41	-1.0	-59.45	359.18	8.43	-51.02
COC1=CC(CNCC2=CC=C([N+](=O)[O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300018065790	0	38	-1.0	-61.10	348.04	8.60	-52.50
COC1=CC(CNCC2=CC=C(C3=C(F)C=CC=C3F)O2)=CC=C1C(=O)[O-]	REAL300018065792	1	43	-1.0	-62.71	380.16	9.56	-53.15
COC1=CC(CNCC2=CC=C(C3=CC=C(F)C=C3C)O2)=CC=C1C(=O)[O-]	REAL300018065793	1	46	-1.0	-58.55	392.62	10.15	-48.40
CCC1=CC=C(C2=CC=C(CNCC3=CC=C(C(=O)[O-])C(OC)=C3)O2)C=C1	REAL300018065794	1	49	-1.0	-59.68	408.55	10.84	-48.84
COC1=CC=C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)C(OC(F)F)=C1	REAL300018065795	1	44	-1.0	-61.88	373.08	6.42	-55.46
COCC1=CC=C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)O1	REAL300018065803	1	40	-1.0	-58.83	341.74	5.52	-53.31
COC1=CC(C)=CC=C1CNCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065809	1	43	-1.0	-57.46	355.26	7.52	-49.94
COC1=CC(CNCC2=CC(Cl)=CC(Cl)=C2N)=CC=C1C(=O)[O-]	REAL300018065811	1	38	-1.0	-56.66	348.44	6.51	-50.15
COC1=CC(CNCC2=NC=CN2C(C)C)=CC=C1C(=O)[O-]	REAL300018065815	0	42	-1.0	-59.80	346.28	7.33	-52.47
COC1=CC(CNCC2=CC=CC([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300018065816	1	41	-1.0	-61.35	343.22	8.63	-52.72
COC1=CC=CC(C)=C1CNCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065819	1	43	-1.0	-56.71	350.59	7.38	-49.33
COC1=CC(CNCC2=NN(C3=CC=CC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300018065821	0	43	-1.0	-63.02	364.32	8.63	-54.39
COC1=CC(CNCC2=CN=C(C(F)(F)F)S2)=CC=C1C(=O)[O-]	REAL300018065822	0	35	-1.0	-58.87	331.49	5.92	-52.95
CCC1=NN(C)C=C1CNCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065823	1	42	-1.0	-60.51	351.04	6.62	-53.89
COC1=CC(CNCC2=NN3CCCCC3=C2)=CC=C1C(=O)[O-]	REAL300018065824	0	43	-1.0	-60.64	350.02	6.84	-53.80
COC1=NC=C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300018065825	1	36	-1.0	-58.27	322.94	3.11	-55.16
COC1=CC(CNCC2=CC3=C(C=N2)OCCO3)=CC=C1C(=O)[O-]	REAL300018065827	0	41	-1.0	-60.00	344.86	4.86	-55.14
COC1=CC(CNCC2=CN=C3C=CC(Cl)=CN23)=CC=C1C(=O)[O-]	REAL300018065828	1	39	-1.0	-60.29	348.99	8.45	-51.84
COC1=CC(CNCC2=CN=C(Cl)N2C)=CC=C1C(=O)[O-]	REAL300018065830	1	36	-1.0	-60.89	321.76	6.38	-54.51
COC1=CC(CNCC2=CN=C(Br)N2C)=CC=C1C(=O)[O-]	REAL300018065831	1	36	-1.0	-60.92	326.05	6.40	-54.52
COC1=CC(CNCC2=CN(C3=CC=C(F)C=C3)N=N2)=CC=C1C(=O)[O-]	REAL300018065832	0	42	-1.0	-63.14	364.74	7.40	-55.74
COC1=CC(CNCC2=CC(C(F)(F)F)=NN2)=CC=C1C(=O)[O-]	REAL300018065833	1	36	-1.0	-60.16	326.49	4.84	-55.32
CCOC1=CC=CC(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)=N1	REAL300018065836	1	42	-1.0	-58.45	354.44	5.10	-53.35
COC1=CC(CNCC2=CN=C3C=CC=C(C)N23)=CC=C1C(=O)[O-]	REAL300018065839	1	42	-1.0	-62.73	345.35	8.52	-54.21
COC1=CC(CNCC2=NC=C(C)C(OC)=C2C)=CC=C1C(=O)[O-]	REAL300018065849	1	45	-1.0	-58.83	367.88	6.31	-52.52
COC1=CC2=CC=CC=C2C=C1CNCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065850	1	46	-1.0	-58.19	379.44	9.13	-49.06
COC1=CC(CNCC2=CC=C(S(C)(=O)=O)S2)=CC=C1C(=O)[O-]	REAL300018065852	1	39	-1.0	-65.95	358.51	4.20	-61.75
COC1=CC(CNCC2=C3N=CC(Br)=CN3N=C2)=CC=C1C(=O)[O-]	REAL300018065853	1	38	-1.0	-60.71	349.33	7.05	-53.66
COC1=CC(CNCC2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)=CC=C1C(=O)[O-]	REAL300018065854	1	55	-1.0	-59.37	441.78	11.72	-47.65
COC1=CC(CNCC2=CC=CC(F)=C2N)=CC=C1C(=O)[O-]	REAL300018065855	1	38	-1.0	-57.86	322.79	5.53	-52.33
CCC(C)CN(C)C1=CC=C(F)C=C1CNCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065857	1	56	-1.0	-56.03	433.33	11.45	-44.58
CCCCCN(C)C1=CC=C(F)C=C1CNCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065858	1	56	-1.0	-55.88	448.36	10.47	-45.41
COC1=CC(CNCC2=CC3=CC(Cl)=CN=C3O2)=CC=C1C(=O)[O-]	REAL300018065860	1	38	-1.0	-61.56	344.84	5.48	-56.08
COC1=CC(CNCC2=CN(C)N=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300018065862	0	38	-1.0	-69.16	335.27	6.87	-62.29
COC1=CC(CNCC2=NC(Cl)=CS2)=CC=C1C(=O)[O-]	REAL300018065863	0	32	-1.0	-58.86	307.19	5.07	-53.79
COC1=NSC(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065864	1	36	-1.0	-58.97	322.73	3.43	-55.54
COC1=CC(CNCC2=CN=C3C=CC(Br)=CN23)=CC=C1C(=O)[O-]	REAL300018065865	1	39	-1.0	-60.16	353.55	8.55	-51.61
COC1=CC(CNCC2=NC=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300018065866	1	41	-1.0	-60.42	343.15	7.80	-52.62
COC1=CC=CC(Cl)=C1CNCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065867	0	40	-1.0	-56.69	347.63	7.27	-49.42
COC1=CC(CNCC2=CN=C(C)N2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300018065868	1	46	-1.0	-59.83	384.45	9.78	-50.05
CCCN1N=C(C)C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1C	REAL300018065870	1	48	-1.0	-60.00	390.62	7.90	-52.10
COC1=CC(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)=C(SC)C=C1OC	REAL300018065873	1	48	-1.0	-60.38	401.75	7.61	-52.77
COC1=CC(CNCC2=CN=C(C3CC3)O2)=CC=C1C(=O)[O-]	REAL300018065879	0	39	-1.0	-59.61	334.14	4.81	-54.80
COC1=CC(CNCC2=CC(F)=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300018065880	1	46	-1.0	-56.52	379.92	8.48	-48.04
COC1=CC(CNCC2=NC3=CC=C(F)C=C3S2)=CC=C1C(=O)[O-]	REAL300018065881	0	38	-1.0	-58.94	343.51	7.02	-51.92
COC1=CC(CNCC2=CC(F)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300018065882	1	40	-1.0	-58.45	349.91	7.20	-51.25
CCOC1=CN=CC(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065884	1	42	-1.0	-59.03	351.71	5.92	-53.11
CCOC1=CC(F)=CC(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065885	1	43	-1.0	-57.68	363.19	7.81	-49.87
COC1=CC(CNCC2=CC(C3CC3)=NN2C)=CC=C1C(=O)[O-]	REAL300018065887	1	43	-1.0	-60.55	357.75	7.17	-53.38
COC1=CC(CNCC2=CC=NN2CC2CC2)=CC=C1C(=O)[O-]	REAL300018065894	1	43	-1.0	-59.95	359.52	7.52	-52.43
COC1=CC(CNCC2=CC=C(S(N)(=O)=O)O2)=CC=C1C(=O)[O-]	REAL300018065897	0	38	-1.0	-66.03	342.84	0.63	-65.40
COC1=CC(CNCC2=CN=CC(OC)=C2C)=CC=C1C(=O)[O-]	REAL300018065900	1	42	-1.0	-59.17	346.26	5.81	-53.36
COC1=CC(CNCC2=CC=CC(Cl)=C2N)=CC=C1C(=O)[O-]	REAL300018065901	1	38	-1.0	-56.93	331.70	6.00	-50.93
COC1=CC(CNCC2=CC3=CN=CC=C3O2)=CC=C1C(=O)[O-]	REAL300018065903	1	38	-1.0	-60.55	328.03	6.30	-54.25
COC1=CC(CNCC2=CC=C(C(F)(F)F)S2)=CC=C1C(=O)[O-]	REAL300018065904	1	36	-1.0	-57.08	336.28	7.82	-49.26
COC1=CC(CNCC2=CSC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300018065907	1	36	-1.0	-57.05	336.05	7.66	-49.39
COC1=CC(CNCC2=CC=C(C(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300018065911	1	38	-1.0	-60.63	333.43	6.63	-54.00
COC1=CC(CNCC2=NC=C(Br)S2)=CC=C1C(=O)[O-]	REAL300018065913	0	32	-1.0	-57.26	311.91	5.38	-51.88
COC1=CC(CNCC2=CN(C)N=C2C(F)F)=CC=C1C(=O)[O-]	REAL300018065916	1	39	-1.0	-63.98	338.68	6.42	-57.56
COC1=CC(CNC(C)C2=CC=C(C3=CC=CC=C3)C=N2)=CC=C1C(=O)[O-]	REAL300018065918	1	48	-1.0	-60.89	393.27	10.03	-50.86
COC1=CC(CNCC2=CC=CC(S(N)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300018065923	1	41	-1.0	-64.31	359.65	2.46	-61.85
CCCN1N=CC=C1CNCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065924	1	42	-1.0	-59.48	349.11	6.75	-52.73
COC1=CC(CNCC2=C3CCCN3N=C2)=CC=C1C(=O)[O-]	REAL300018065926	1	40	-1.0	-60.73	331.90	6.11	-54.62
COC1=CC(CNCC2=NN3CCCC3=C2)=CC=C1C(=O)[O-]	REAL300018065927	0	40	-1.0	-62.09	331.97	6.02	-56.07
COC1=CC(CNCC2=NC=C(C(F)(F)F)S2)=CC=C1C(=O)[O-]	REAL300018065928	0	35	-1.0	-57.38	331.06	5.82	-51.56
COC1=CC(CNCC2=CC=CC(F)=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300018065929	1	40	-1.0	-60.10	349.81	7.22	-52.88
COC1=CC(CNCC2=CC3=CC=CN=C3O2)=CC=C1C(=O)[O-]	REAL300018065932	1	38	-1.0	-64.14	328.07	4.99	-59.15
COC1=CC(CNCC2=CC3=CC(F)=CC=C3O2)=CC=C1C(=O)[O-]	REAL300018065939	1	39	-1.0	-59.57	339.72	8.10	-51.47
COC1=CC(CNCC2=CC3=C(C=C2OC(F)F)OCO3)=CC=C1C(=O)[O-]	REAL300018065941	1	43	-1.0	-62.37	369.66	5.79	-56.58
COC1=CC=C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)C(Br)=C1	REAL300018065942	0	40	-1.0	-58.63	353.37	7.30	-51.33
COC1=CC(CNCC2=CN(C3=CC=C(Cl)C=C3)N=C2C)=CC=C1C(=O)[O-]	REAL300018065944	1	46	-1.0	-60.88	402.30	9.81	-51.07
COC1=CC(CNCC2=CSC(CN(C)C)=N2)=CC=C1C(=O)[O-]	REAL300018065945	0	43	-1.0	-58.04	366.64	3.99	-54.05
COC1=CC(CNCC2=CC(C)=C(C)C=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300018065947	1	46	-1.0	-59.49	382.69	8.35	-51.14
COC1=CC(CNCC2=CC(Cl)=CC(Cl)=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300018065951	0	38	-1.0	-61.09	367.50	9.36	-51.73
COC1=CC=C(N2C=C(CNCC3=CC=C(C(=O)[O-])C(OC)=C3)C=N2)C=C1	REAL300018065958	1	47	-1.0	-61.86	393.74	8.01	-53.85
COC1=CC(CNCC2=CN(C3=CC=CC=C3Cl)N=C2C)=CC=C1C(=O)[O-]	REAL300018065962	1	46	-1.0	-63.12	396.26	10.00	-53.12
COC1=CC(CNCC2=C(F)C=NC=C2Br)=CC=C1C(=O)[O-]	REAL300018065964	0	35	-1.0	-55.84	324.14	6.27	-49.57
COC1=CC(CNCC2=CC(C3=CC=CC=N3)=NN2)=CC=C1C(=O)[O-]	REAL300018065968	1	42	-1.0	-63.18	361.60	5.75	-57.43
COC1=CC(CNCC2=C(Cl)C=CC=C2SC(C)C)=CC=C1C(=O)[O-]	REAL300018065972	1	46	-1.0	-56.19	394.50	10.21	-45.98
COC1=CC(CNCC2=CC=C(Br)C=C2SC)=CC=C1C(=O)[O-]	REAL300018065973	1	40	-1.0	-56.92	364.37	9.00	-47.92
COC1=CC(CNCC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)=CC=C1C(=O)[O-]	REAL300018065981	0	49	-1.0	-64.46	407.85	9.14	-55.32
COC1=CC(CNCC2=NC3=CC(C(F)(F)F)=CC=C3N2C)=CC=C1C(=O)[O-]	REAL300018065982	0	45	-1.0	-62.81	390.78	8.86	-53.95
COC1=CC(CNCC2=NC3=C(CC(C)CC3)S2)=CC=C1C(=O)[O-]	REAL300018065984	0	45	-1.0	-57.70	374.76	7.87	-49.83
CCC1=CN=C(CNCC2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300018065985	0	38	-1.0	-57.77	333.61	6.23	-51.54
COC1=CC(CNCC2=NOC(C3CCC3)=C2)=CC=C1C(=O)[O-]	REAL300018065994	0	42	-1.0	-59.04	350.57	7.76	-51.28
COC1=CC(CNCC2=NOC(C3(C)CC3)=C2)=CC=C1C(=O)[O-]	REAL300018065995	0	42	-1.0	-59.21	353.01	7.66	-51.55
COC1=CC(CNCC2=CN=C3CCCCCN23)=CC=C1C(=O)[O-]	REAL300018065999	1	46	-1.0	-61.15	361.50	7.91	-53.24
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(Cl)=C1OC	REAL300018072072	0	40	-1.0	-49.18	364.24	7.78	-41.40
O=C([O-])C(NCC1=CSC([N+](=O)[O-])=C1)C1=CC=C(F)C(F)=C1	REAL300018072080	0	31	-1.0	-37.81	307.63	7.79	-30.02
COC1=CC=C(Br)C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072084	0	36	-1.0	-47.89	334.21	7.89	-40.00
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1[N+](=O)[O-]	REAL300018072085	1	38	-1.0	-54.66	343.35	8.76	-45.90
O=C([O-])C(NCC1=CC(Cl)=CC(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300018072086	1	32	-1.0	-37.63	321.05	9.00	-28.63
CCOC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OCC	REAL300018072089	1	46	-1.0	-48.77	391.59	9.07	-39.70
O=C([O-])C(NCC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=CC=C(F)C(F)=C1	REAL300018072091	1	35	-1.0	-41.27	341.02	9.44	-31.83
O=C([O-])C(NCC1=CC=C(F)C=C1Br)C1=CC=C(F)C(F)=C1	REAL300018072092	0	32	-1.0	-42.59	310.99	8.54	-34.05
O=C([O-])C(NCC1=CC=C2OC(F)(F)OC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072093	1	35	-1.0	-41.62	328.74	7.12	-34.50
CS(=O)(=O)C1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072096	1	38	-1.0	-50.13	348.44	5.47	-44.66
CN1C2=CC=CC=C2N=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072103	0	38	-1.0	-55.45	335.34	8.41	-47.04
O=C([O-])C(NCC1=CSC(Br)=C1)C1=CC=C(F)C(F)=C1	REAL300018072105	1	29	-1.0	-40.86	299.40	7.63	-33.23
O=C([O-])C(NCC1=CC=C(N2CCCC2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072106	1	43	-1.0	-42.42	361.67	7.85	-34.57
CS(=O)(=O)NC1=CC=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072107	1	40	-1.0	-49.87	365.12	4.64	-45.23
O=C([O-])C(NCC1=CC=CC2=C1OC(F)(F)O2)C1=CC=C(F)C(F)=C1	REAL300018072111	1	35	-1.0	-50.32	327.16	7.07	-43.25
O=C([O-])C(NCC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072122	1	39	-1.0	-44.39	353.06	9.32	-35.07
O=C([O-])C(NCC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072123	1	39	-1.0	-45.06	364.69	9.74	-35.32
CC(C)(C)N1C=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300018072124	1	41	-1.0	-43.69	350.34	7.81	-35.88
O=C([O-])C(NCC1=CN=C(N2CCCC2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072128	1	42	-1.0	-45.86	357.90	7.96	-37.90
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1Cl	REAL300018072133	1	36	-1.0	-44.32	334.66	7.88	-36.44
O=C([O-])C(NCC1=CSC(C2=CC=CC=N2)=N1)C1=CC=C(F)C(F)=C1	REAL300018072134	0	37	-1.0	-56.57	347.98	6.87	-49.70
COC1=NC=C(Br)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072135	0	35	-1.0	-46.09	336.28	5.41	-40.68
COC1=NC=CC=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072136	0	35	-1.0	-48.04	313.75	4.70	-43.34
O=C([O-])C(NCC1=CC=C(Br)C=N1)C1=CC=C(F)C(F)=C1	REAL300018072137	0	31	-1.0	-44.63	302.94	6.72	-37.91
O=C([O-])C(NCC1=CN=C(N2CCOCC2)S1)C1=CC=C(F)C(F)=C1	REAL300018072138	0	41	-1.0	-43.36	361.43	5.26	-38.10
O=C([O-])C(NCC1=CC=CC2=C1OCCO2)C1=CC=C(F)C(F)=C1	REAL300018072141	1	38	-1.0	-48.11	330.83	7.14	-40.97
O=C([O-])C(NCC1=CC=CC2=C1OCCCO2)C1=CC=C(F)C(F)=C1	REAL300018072142	1	41	-1.0	-50.85	351.01	7.97	-42.88
O=C([O-])C(NCC1=CN=C(C2=CC=CC=C2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072146	1	40	-1.0	-46.41	356.99	9.31	-37.10
O=C([O-])C(NCC1=CN=C(N2CCOCC2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072147	1	43	-1.0	-45.85	367.03	6.46	-39.39
CC1=C2C=C(CNC(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=NC2=NN1	REAL300018072152	1	37	-1.0	-55.54	332.20	6.54	-49.00
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300018072154	0	34	-1.0	-45.59	317.11	6.76	-38.83
O=C([O-])C(NCC1=CN=C2C=CC=CN12)C1=CC=C(F)C(F)=C1	REAL300018072155	1	35	-1.0	-47.48	314.59	8.39	-39.09
CN(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300018072156	0	36	-1.0	-48.18	330.50	6.99	-41.19
CC1=CC=C(C2=NC(CNC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CS2)C=C1	REAL300018072158	0	41	-1.0	-54.01	375.38	9.47	-44.54
CC(C)C1=NC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CS1	REAL300018072159	0	37	-1.0	-51.13	335.59	7.07	-44.06
O=C([O-])C(NCC1=CSC(C2CC2)=N1)C1=CC=C(F)C(F)=C1	REAL300018072160	0	35	-1.0	-45.51	325.37	7.29	-38.22
O=C([O-])C(NCC1=CSC(COC2=CC=CC=C2)=N1)C1=CC=C(F)C(F)=C1	REAL300018072161	0	42	-1.0	-54.66	384.26	8.34	-46.32
CCC1=NC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CS1	REAL300018072162	0	34	-1.0	-51.54	317.18	6.48	-45.06
CC(C)(C)C1=NC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CS1	REAL300018072170	0	40	-1.0	-51.33	354.53	7.57	-43.76
O=C([O-])C(NCC1=CSC(C2=CSC=C2)=N1)C1=CC=C(F)C(F)=C1	REAL300018072171	0	35	-1.0	-52.59	345.01	7.75	-44.84
O=C([O-])C(NCC1=CN2C=C(Cl)C=CC2=N1)C1=CC=C(F)C(F)=C1	REAL300018072175	0	35	-1.0	-54.20	331.52	9.05	-45.15
CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300018072176	0	40	-1.0	-42.84	354.58	7.72	-35.12
COC1=C(Cl)C=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072180	0	36	-1.0	-44.04	351.51	8.46	-35.58
CCOC1=C(OC)C=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OC	REAL300018072182	1	47	-1.0	-43.74	401.36	8.04	-35.70
COC1=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1SC	REAL300018072185	1	40	-1.0	-46.59	358.05	8.37	-38.22
CCC(C)OC1=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1OC	REAL300018072186	1	49	-1.0	-47.85	407.10	9.57	-38.28
C=C(C)COC1=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1OC	REAL300018072187	1	47	-1.0	-48.90	402.02	9.48	-39.42
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OCCC(C)C	REAL300018072188	1	52	-1.0	-48.29	428.99	10.25	-38.04
O=C([O-])C(NCC1=CC(C2=CC=CC=C2)=NN1)C1=CC=C(F)C(F)=C1	REAL300018072191	1	39	-1.0	-43.06	347.14	7.87	-35.19
O=C([O-])C(NCC1=CN(C2=CC=CC=C2)N=N1)C1=CC=C(F)C(F)=C1	REAL300018072193	0	38	-1.0	-57.21	340.73	7.87	-49.34
O=C([O-])C(NCC1=NC(C2=CC=CC=C2)=CS1)C1=CC=C(F)C(F)=C1	REAL300018072194	0	38	-1.0	-42.86	349.75	8.71	-34.15
C=CCOC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1Cl	REAL300018072196	1	40	-1.0	-48.05	369.42	9.39	-38.66
O=C([O-])C(NCC1=CN=C(C2=CC=CC=C2)S1)C1=CC=C(F)C(F)=C1	REAL300018072197	0	38	-1.0	-47.41	354.20	9.02	-38.39
COC1=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C2OC(C)CC2=C1	REAL300018072198	1	44	-1.0	-53.17	375.61	7.89	-45.28
CN1N=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C2=CC=CC=C21	REAL300018072199	0	38	-1.0	-46.73	337.67	7.87	-38.86
O=C([O-])C(NCC1=NNC2=CC=CC=C21)C1=CC=C(F)C(F)=C1	REAL300018072200	1	35	-1.0	-47.32	316.22	6.64	-40.68
O=C([O-])C(NCC1=NC=CN1CC(F)(F)F)C1=CC=C(F)C(F)=C1	REAL300018072202	0	35	-1.0	-54.18	326.46	7.58	-46.60
O=C([O-])C(NCC1=COC(C2=CC=CC=C2)=N1)C1=CC=C(F)C(F)=C1	REAL300018072206	0	38	-1.0	-46.02	345.59	6.49	-39.53
O=C([O-])C(NCC1=CSC(C2=CC=CS2)=N1)C1=CC=C(F)C(F)=C1	REAL300018072207	0	35	-1.0	-49.61	343.12	7.78	-41.83
COC1=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC(C(F)(F)F)=C1	REAL300018072209	1	39	-1.0	-40.33	355.95	8.23	-32.10
O=C([O-])C(NCC1=CC=C(Br)C=C1Cl)C1=CC=C(F)C(F)=C1	REAL300018072210	1	32	-1.0	-43.52	323.60	9.06	-34.46
CN(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)N1C	REAL300018072212	1	40	-1.0	-45.26	340.63	7.37	-37.89
O=C([O-])C(NCC1=NC(C2=CC=CC=C2)=CN1)C1=CC=C(F)C(F)=C1	REAL300018072213	0	39	-1.0	-52.42	346.64	8.26	-44.16
O=C([O-])C(NCC1=CC=C(OC(F)F)C(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300018072219	1	36	-1.0	-46.57	343.10	8.16	-38.41
COC1=CC2=C(C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1)OCO2	REAL300018072224	1	39	-1.0	-47.79	343.40	6.05	-41.74
COC1=CC(Cl)=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OC	REAL300018072225	0	40	-1.0	-45.49	359.59	7.73	-37.76
COC1=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)SC=C1	REAL300018072226	1	33	-1.0	-46.84	307.71	6.39	-40.45
C=CCOC1=C(Cl)C=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OC	REAL300018072229	1	44	-1.0	-41.27	401.21	9.31	-31.96
CC1(C)CC2=CC=CC(CNC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=C2O1	REAL300018072232	1	43	-1.0	-51.03	364.99	9.17	-41.86
O=C([O-])C(NCC1=NC2=C(CCCC2)S1)C1=CC=C(F)C(F)=C1	REAL300018072233	0	38	-1.0	-50.92	337.45	7.80	-43.12
O=C([O-])C(NCC1=CC=NC=C1Br)C1=CC=C(F)C(F)=C1	REAL300018072234	0	31	-1.0	-43.10	300.14	6.82	-36.28
O=C([O-])C(NCC1=CC=NC=C1Cl)C1=CC=C(F)C(F)=C1	REAL300018072235	0	31	-1.0	-43.15	296.51	6.71	-36.44
O=C([O-])C(NCC1=CC(F)=CC(Br)=C1)C1=CC=C(F)C(F)=C1	REAL300018072236	1	32	-1.0	-37.89	315.28	8.67	-29.22
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300018072238	1	36	-1.0	-44.23	320.78	6.62	-37.61
O=C([O-])C(NCC1=CC2=CC(Br)=CC=C2O1)C1=CC=C(F)C(F)=C1	REAL300018072242	0	35	-1.0	-47.52	338.30	9.15	-38.37
O=C([O-])C(NCC1=CN=C2CCCN12)C1=CC=C(F)C(F)=C1	REAL300018072243	1	36	-1.0	-47.36	313.83	7.62	-39.74
COC1=CC(F)=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072245	1	36	-1.0	-42.61	323.66	7.31	-35.30
CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300018072247	1	42	-1.0	-45.17	360.79	7.96	-37.21
CC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(Cl)=C1	REAL300018072249	1	35	-1.0	-46.28	323.72	9.11	-37.17
O=C([O-])C(NCC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300018072250	1	34	-1.0	-44.60	328.49	9.08	-35.52
CC1=CC=C(C2=NC=C(CNC(C(=O)[O-])C3=CC=C(F)C(F)=C3)S2)C=C1	REAL300018072253	0	41	-1.0	-43.44	374.02	9.68	-33.76
O=C([O-])C(NCC1=C(Cl)C=CC2=CC=CN=C21)C1=CC=C(F)C(F)=C1	REAL300018072255	1	37	-1.0	-52.50	341.49	8.88	-43.62
O=C([O-])C(NCC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=C(F)C(F)=C1	REAL300018072257	0	34	-1.0	-43.93	330.53	9.12	-34.81
O=C([O-])C(NCC1=CC=C(C2=C(F)C=CC=C2F)O1)C1=CC=C(F)C(F)=C1	REAL300018072258	0	39	-1.0	-51.19	362.45	10.00	-41.19
CC1=CC(F)=CC=C1C1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)O1	REAL300018072259	0	42	-1.0	-47.98	375.02	10.68	-37.30
CCC1=CC=C(C2=CC=C(CNC(C(=O)[O-])C3=CC=C(F)C(F)=C3)O2)C=C1	REAL300018072260	0	45	-1.0	-47.05	389.78	11.28	-35.77
COCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)O1	REAL300018072267	0	36	-1.0	-45.76	325.25	6.07	-39.69
NS(=O)(=O)C1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072270	1	37	-1.0	-51.19	343.31	2.97	-48.22
COC1=CC(C)=CC=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072273	1	39	-1.0	-49.85	338.76	8.06	-41.79
NC1=C(Cl)C=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072274	1	34	-1.0	-38.77	331.79	7.01	-31.76
CC(C)N1C=CN=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072278	0	38	-1.0	-52.80	328.68	7.84	-44.96
CC1=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=CC=C1[N+](=O)[O-]	REAL300018072279	1	37	-1.0	-49.88	329.16	9.04	-40.84
COC1=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1Cl	REAL300018072281	1	36	-1.0	-44.93	334.67	7.86	-37.07
O=C([O-])C(NCC1=NN(C2=CC=CC=C2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072283	0	39	-1.0	-48.84	347.81	9.18	-39.66
O=C([O-])C(NCC1=CN=C(C(F)(F)F)S1)C1=CC=C(F)C(F)=C1	REAL300018072284	0	31	-1.0	-42.23	315.24	6.40	-35.83
CCC1=NN(C)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072285	1	38	-1.0	-48.91	334.80	7.11	-41.80
O=C([O-])C(NCC1=NN2CCCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072286	0	39	-1.0	-50.48	331.26	7.28	-43.20
COC1=NC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300018072288	0	32	-1.0	-44.10	306.44	3.66	-40.44
O=C([O-])C(NCC1=CC2=C(C=N1)OCCO2)C1=CC=C(F)C(F)=C1	REAL300018072290	0	37	-1.0	-47.73	326.09	5.31	-42.42
O=C([O-])C(NCC1=CN=C2C=CC(Cl)=CN12)C1=CC=C(F)C(F)=C1	REAL300018072291	1	35	-1.0	-46.98	332.74	8.96	-38.02
CC1=CC=CN2C(CNC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CN=C12	REAL300018072292	1	38	-1.0	-51.39	337.46	9.04	-42.35
CN1C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CN=C1Cl	REAL300018072293	1	32	-1.0	-42.08	304.07	6.81	-35.27
CN1C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CN=C1Br	REAL300018072294	1	32	-1.0	-42.35	308.37	6.83	-35.52
O=C([O-])C(NCC1=CN(C2=CC=C(F)C=C2)N=N1)C1=CC=C(F)C(F)=C1	REAL300018072295	0	38	-1.0	-44.18	348.24	7.96	-36.22
O=C([O-])C(NCC1=CC(C(F)(F)F)=NN1)C1=CC=C(F)C(F)=C1	REAL300018072296	1	32	-1.0	-38.59	309.01	5.31	-33.28
CCOC1=CC=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300018072299	0	38	-1.0	-45.03	338.19	5.59	-39.44
CC1=CC=CC2=NC=C(CNC(C(=O)[O-])C3=CC=C(F)C(F)=C3)N21	REAL300018072302	1	38	-1.0	-44.30	323.33	8.91	-35.39
O=C([O-])C(NCC1=CC2=CC=CC(F)=C2N=C1)C1=CC=C(F)C(F)=C1	REAL300018072308	1	37	-1.0	-43.18	334.08	8.38	-34.80
COC1=C(C)C=NC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1C	REAL300018072312	1	41	-1.0	-47.24	349.18	6.75	-40.49
COC1=CC2=CC=CC=C2C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072313	1	42	-1.0	-50.02	363.17	9.67	-40.35
CS(=O)(=O)C1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300018072314	1	35	-1.0	-48.01	340.68	4.66	-43.35
O=C([O-])C(NCC1=C2N=CC(Br)=CN2N=C1)C1=CC=C(F)C(F)=C1	REAL300018072315	1	34	-1.0	-48.10	331.50	7.52	-40.58
CC(C)(C)C1=CC=C(C2=CC=C(CNC(C(=O)[O-])C3=CC=C(F)C(F)=C3)O2)C=C1	REAL300018072316	0	51	-1.0	-46.81	423.01	12.16	-34.65
NC1=C(F)C=CC=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072317	1	34	-1.0	-40.55	303.68	6.05	-34.50
O=C([O-])C(NCC1=CC2=CC(Cl)=CN=C2O1)C1=CC=C(F)C(F)=C1	REAL300018072320	0	34	-1.0	-46.32	326.08	5.92	-40.40
O=C([O-])C(NCC1=NC(Cl)=CS1)C1=CC=C(F)C(F)=C1	REAL300018072322	0	28	-1.0	-49.34	290.69	5.62	-43.72
COC1=NSC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072323	0	32	-1.0	-40.26	304.91	3.90	-36.36
O=C([O-])C(NCC1=CN=C2C=CC(Br)=CN12)C1=CC=C(F)C(F)=C1	REAL300018072324	1	35	-1.0	-46.71	337.30	9.06	-37.65
O=C([O-])C(NCC1=NC=CC2=CC=CC=C21)C1=CC=C(F)C(F)=C1	REAL300018072325	1	37	-1.0	-48.04	326.86	8.32	-39.72
COC1=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C(SC)C=C1OC	REAL300018072328	1	44	-1.0	-47.36	383.59	8.10	-39.26
O=C([O-])C(NCC1=CN=C(C2CC2)O1)C1=CC=C(F)C(F)=C1	REAL300018072332	0	35	-1.0	-48.80	317.85	5.31	-43.49
O=C([O-])C(NCC1=NC2=CC=C(F)C=C2S1)C1=CC=C(F)C(F)=C1	REAL300018072333	0	34	-1.0	-48.22	327.00	7.58	-40.64
CCOC1=CN=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072335	1	38	-1.0	-46.82	335.22	6.46	-40.36
CCOC1=CC(F)=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072336	1	39	-1.0	-42.33	345.51	8.24	-34.09
CN1N=C(C2CC2)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072338	1	39	-1.0	-43.30	340.07	7.60	-35.70
O=C([O-])C(NCC1=CC=NN1CC1CC1)C1=CC=C(F)C(F)=C1	REAL300018072344	1	39	-1.0	-41.77	342.86	7.97	-33.80
NS(=O)(=O)C1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)O1	REAL300018072347	0	34	-1.0	-49.03	326.34	1.18	-47.85
COC1=CN=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1C	REAL300018072350	1	38	-1.0	-42.68	327.17	6.03	-36.65
O=C([O-])C(NCC1=CC2=CN=CC=C2O1)C1=CC=C(F)C(F)=C1	REAL300018072352	0	34	-1.0	-49.48	311.74	6.81	-42.67
O=C([O-])C(NCC1=CC=C(C(F)(F)F)S1)C1=CC=C(F)C(F)=C1	REAL300018072353	1	32	-1.0	-38.00	318.45	8.28	-29.72
O=C([O-])C(NCC1=CSC(C(F)(F)F)=C1)C1=CC=C(F)C(F)=C1	REAL300018072356	1	32	-1.0	-41.13	318.36	8.09	-33.04
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OC1CC1	REAL300018072358	1	44	-1.0	-44.54	376.44	8.81	-35.73
O=C([O-])C(NCC1=CC=C(C(F)F)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072360	1	34	-1.0	-40.30	317.01	7.07	-33.23
O=C([O-])C(NCC1=NC=C(Br)S1)C1=CC=C(F)C(F)=C1	REAL300018072362	0	28	-1.0	-46.13	295.41	5.93	-40.20
CN1C=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C(F)F)=N1	REAL300018072365	1	35	-1.0	-53.25	323.47	6.60	-46.65
CC(NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018072367	1	44	-1.0	-45.07	369.72	10.29	-34.78
NS(=O)(=O)C1=CC=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072372	1	37	-1.0	-49.67	342.00	2.98	-46.69
CCCN1N=CC=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072373	1	38	-1.0	-41.89	331.44	7.18	-34.71
O=C([O-])C(NCC1=C2CCCN2N=C1)C1=CC=C(F)C(F)=C1	REAL300018072375	1	36	-1.0	-51.55	315.60	6.63	-44.92
O=C([O-])C(NCC1=NN2CCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072376	0	36	-1.0	-52.42	314.25	6.47	-45.95
O=C([O-])C(NCC1=NC=C(C(F)(F)F)S1)C1=CC=C(F)C(F)=C1	REAL300018072377	0	31	-1.0	-37.52	312.29	6.26	-31.26
O=C([O-])C(NCC1=CC2=CC=CN=C2O1)C1=CC=C(F)C(F)=C1	REAL300018072379	0	34	-1.0	-51.01	309.31	5.42	-45.59
O=C([O-])C(NCC1=CC2=CC(F)=CC=C2O1)C1=CC=C(F)C(F)=C1	REAL300018072385	0	35	-1.0	-47.50	323.43	8.62	-38.88
O=C([O-])C(NCC1=CC2=C(C=C1OC(F)F)OCO2)C1=CC=C(F)C(F)=C1	REAL300018072387	0	39	-1.0	-46.92	353.41	6.28	-40.64
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(Br)=C1	REAL300018072388	0	36	-1.0	-46.48	336.62	7.77	-38.71
CC1=NN(C2=CC=C(Cl)C=C2)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072390	1	42	-1.0	-46.12	385.02	10.33	-35.79
CN(C)CC1=NC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CS1	REAL300018072391	0	39	-1.0	-43.27	348.81	4.47	-38.80
COC1=CC=C(N2C=C(CNC(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=N2)C=C1	REAL300018072401	1	43	-1.0	-47.23	377.45	8.53	-38.70
CC1=NN(C2=CC=CC=C2Cl)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072405	1	42	-1.0	-47.77	378.58	10.43	-37.34
O=C([O-])C(NCC1=CC(C2=CC=CC=N2)=NN1)C1=CC=C(F)C(F)=C1	REAL300018072407	1	38	-1.0	-44.58	343.93	6.18	-38.40
CN1N=CC2=CC(CNC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CN=C21	REAL300018072409	1	37	-1.0	-44.85	333.46	7.13	-37.72
O=C([O-])C(NCC1=C(C2CC2)N(C2=CC=CC=C2)N=N1)C1=CC=C(F)C(F)=C1	REAL300018072416	0	45	-1.0	-58.86	379.72	9.66	-49.20
CN1C2=CC=C(C(F)(F)F)C=C2N=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072417	0	41	-1.0	-53.89	374.53	9.35	-44.54
CC1CCC2=C(C1)SC(CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1)=N2	REAL300018072418	0	41	-1.0	-50.44	358.24	8.41	-42.03
CCC1=CN=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300018072419	0	34	-1.0	-49.33	317.11	6.78	-42.55
O=C([O-])C(NCC1=NOC(C2CCC2)=C1)C1=CC=C(F)C(F)=C1	REAL300018072427	0	38	-1.0	-47.61	332.87	8.20	-39.41
CC1(C2=CC(CNC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=NO2)CC1	REAL300018072428	0	38	-1.0	-51.73	336.71	8.16	-43.57
CC1=CC(F)=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072430	1	35	-1.0	-41.57	315.39	8.71	-32.86
O=C([O-])C(NCC1=CN=C2CCCCCN12)C1=CC=C(F)C(F)=C1	REAL300018072432	1	42	-1.0	-44.83	343.90	8.42	-36.41
O=C([O-])C(NCC1=CC(C2=CC=CC=C2)=NO1)C1=CC=C(F)C(F)=C1	REAL300018072434	0	38	-1.0	-43.98	343.89	9.22	-34.76
CSC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1Cl	REAL300018072437	1	36	-1.0	-43.79	344.36	9.48	-34.31
CCOC1=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=N1	REAL300018072440	1	38	-1.0	-47.98	336.77	5.68	-42.30
O=C([O-])C(NCC1=CN=C(C2CCOCC2)O1)C1=CC=C(F)C(F)=C1	REAL300018072446	0	42	-1.0	-45.56	361.20	4.52	-41.04
O=C([O-])C(NCC1=NOC(C2CC2)=C1)C1=CC=C(F)C(F)=C1	REAL300018072447	0	35	-1.0	-51.96	317.70	7.74	-44.22
CC1=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)NN=C1C(F)(F)F	REAL300018072451	1	35	-1.0	-42.04	328.86	5.92	-36.12
CC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1O	REAL300018072453	1	36	-1.0	-48.57	320.23	5.92	-42.65
O=C([O-])C(NCC1=NC(C2CC2)=CS1)C1=CC=C(F)C(F)=C1	REAL300018072454	0	35	-1.0	-41.42	322.29	7.16	-34.26
O=C([O-])C(NCC1=CN(CC2CC2)N=N1)C1=CC=C(F)C(F)=C1	REAL300018072455	0	38	-1.0	-52.22	336.18	6.85	-45.37
O=C([O-])C(NCC1=NC2=C(CCCC2)N1)C1=CC=C(F)C(F)=C1	REAL300018072457	0	39	-1.0	-49.50	330.53	7.07	-42.43
O=C([O-])C(NCC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC=C(F)C(F)=C1	REAL300018072459	1	40	-1.0	-45.86	351.88	7.83	-38.03
O=C([O-])C(NCC1=CC=C(OC(F)(F)F)C=C1F)C1=CC=C(F)C(F)=C1	REAL300018072466	1	36	-1.0	-46.75	340.48	7.87	-38.88
CC1=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)OC2=CC=C(F)C=C12	REAL300018072472	0	38	-1.0	-43.94	342.27	9.21	-34.73
CN1N=C(C2=CC=CC=C2)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072474	1	42	-1.0	-48.55	369.25	9.13	-39.42
CCCN1C=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300018072475	0	38	-1.0	-53.69	333.73	7.36	-46.33
CC(C)N1C=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300018072476	0	38	-1.0	-50.18	330.81	7.05	-43.13
CC(C)(C)C1=CN=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072477	1	43	-1.0	-45.35	360.57	8.50	-36.85
O=C([O-])C(NCC1=NN(CC(F)(F)F)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072478	0	35	-1.0	-52.83	330.01	7.03	-45.80
CN1C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=NC2=C1CCCC2	REAL300018072479	0	42	-1.0	-55.72	351.64	8.74	-46.98
O=C([O-])C(NCC1=CC2=CC=CC=C2C=N1)C1=CC=C(F)C(F)=C1	REAL300018072480	1	37	-1.0	-53.62	330.28	8.44	-45.18
COC1=NC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1C	REAL300018072481	0	38	-1.0	-52.49	336.44	5.41	-47.08
O=C([O-])C(NCC1=CC=CC(C(F)F)=C1F)C1=CC=C(F)C(F)=C1	REAL300018072482	1	35	-1.0	-54.77	326.18	8.91	-45.86
CCOC1=CC=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072484	1	39	-1.0	-44.99	354.66	8.73	-36.26
O=C([O-])C(NCC1=CC2=C(CCCC2)O1)C1=CC=C(F)C(F)=C1	REAL300018072485	0	39	-1.0	-45.32	330.94	8.78	-36.54
CCC(C)N1N=CC=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072486	1	41	-1.0	-41.86	348.91	7.75	-34.11
O=C([O-])C(NCC1=CN(C2CCCCC2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072487	1	45	-1.0	-42.57	372.37	8.99	-33.58
COC1=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=CC=C1C(C)(C)C	REAL300018072489	1	48	-1.0	-43.84	380.96	9.69	-34.15
CN1C=C(Br)N=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072490	0	32	-1.0	-41.38	309.18	6.89	-34.49
COC1=CC(C)=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300018072491	1	38	-1.0	-39.64	326.63	5.16	-34.48
O=C([O-])C(NCC1=NC2=CC=CC=C2S1)C1=CC=C(F)C(F)=C1	REAL300018072492	0	34	-1.0	-52.47	320.59	7.51	-44.96
CCCN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072496	1	38	-1.0	-49.36	327.26	8.94	-40.42
CCC1=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=NN1CC	REAL300018072500	1	41	-1.0	-43.44	352.82	8.04	-35.40
CC1=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C(F)(F)F)=CO1	REAL300018072501	1	35	-1.0	-46.15	325.04	7.70	-38.45
O=C([O-])C(NCC1=CC=C(C2=CSC=C2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072503	1	38	-1.0	-44.62	350.53	8.76	-35.86
O=C([O-])C(NCC1=CC(C2=CC=NC=C2)=NN1)C1=CC=C(F)C(F)=C1	REAL300018072515	1	38	-1.0	-45.63	343.79	6.17	-39.46
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)N=C1	REAL300018072517	1	37	-1.0	-47.40	324.55	7.53	-39.87
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OCCO	REAL300018072518	1	44	-1.0	-51.32	381.11	5.05	-46.27
O=C([O-])C(NCC1=CC=C(C(F)(F)F)C=C1F)C1=CC=C(F)C(F)=C1	REAL300018072521	1	35	-1.0	-47.97	333.23	9.09	-38.88
CC(C)OC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1F	REAL300018072522	1	42	-1.0	-43.73	363.33	8.95	-34.78
CC1=NN(C2CCCC2)C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072523	1	45	-1.0	-46.27	377.27	9.08	-37.19
O=C([O-])C(NCC1=CC=NN1CC(F)F)C1=CC=C(F)C(F)=C1	REAL300018072524	1	35	-1.0	-41.36	323.08	6.70	-34.66
O=C([O-])C(NCC1=CN(C2=CC=CC(F)=C2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072526	1	39	-1.0	-47.52	354.37	9.30	-38.22
O=C([O-])C(NCC1=NN(C2CCC2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072527	0	39	-1.0	-54.18	335.24	7.61	-46.57
O=C([O-])C(NCC1=NN(CC(F)F)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072528	0	35	-1.0	-51.74	325.22	6.90	-44.84
O=C([O-])C(NCC1=NN(C2CC2(F)F)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072529	0	36	-1.0	-54.73	332.58	7.39	-47.34
O=C([O-])C(NCC1=NN(C2CCCC2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072531	0	42	-1.0	-49.40	352.41	8.30	-41.10
COC1=CC=C2SC(CNC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=NC2=C1	REAL300018072536	0	38	-1.0	-44.27	347.84	6.67	-37.60
O=C([O-])C(NCC1=CN=C2C=C(Br)C=CN12)C1=CC=C(F)C(F)=C1	REAL300018072537	1	35	-1.0	-46.98	337.34	9.07	-37.91
CN1N=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1C1=CC=CO1	REAL300018072538	0	39	-1.0	-53.60	350.51	7.40	-46.20
CC1=NN(C2CCC2)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072540	1	42	-1.0	-44.56	354.81	8.31	-36.25
O=C([O-])C(NCC1=CC=C(C2=CC=CC=N2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072542	1	40	-1.0	-44.85	356.78	8.32	-36.53
CN1N=C(C2=CC=CO2)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072543	1	39	-1.0	-46.31	350.90	7.24	-39.07
O=C([O-])C(NCC1=CC(C2=CC=CC=C2)=CC=N1)C1=CC=C(F)C(F)=C1	REAL300018072546	1	41	-1.0	-46.36	357.34	9.54	-36.82
O=C([O-])C(NCC1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300018072549	1	36	-1.0	-41.82	351.16	8.37	-33.45
C=CCN1C=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300018072555	1	36	-1.0	-49.29	326.28	7.24	-42.05
CN1C(CC2=CC=CC=C2)=CN=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072559	0	45	-1.0	-43.29	389.27	10.56	-32.73
CC(C)C1=NN(C(C)(C)C)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072564	1	50	-1.0	-48.68	414.36	9.65	-39.03
COC1=C2C=CNC2=CC=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072565	1	40	-1.0	-50.78	345.05	8.12	-42.66
CCCN1N=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1C	REAL300018072567	1	41	-1.0	-44.85	353.85	7.86	-36.99
CC1=CC(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CN=C1N1C=CC=N1	REAL300018072568	1	41	-1.0	-43.77	359.72	9.31	-34.46
CCCN1N=C(C)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072570	1	41	-1.0	-46.34	350.33	7.87	-38.47
CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(F)C(F)=C2)O1	REAL300018072571	0	40	-1.0	-45.14	348.12	5.55	-39.59
O=C([O-])C1(C2=CC=CC=C2)CCN(CC2=CN(CC3=CC=CN=C3)N=N2)C1	REAL300018072575	1	47	-1.0	-67.79	383.87	7.34	-60.45
O=C([O-])C1(C2=CC=CC=C2)CCN(CC2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300018072585	1	43	-1.0	-45.15	348.10	8.19	-36.96
COCC1=CC(CN2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=NO1	REAL300018072588	1	42	-1.0	-53.44	341.60	6.00	-47.44
CC(C)N1C=C(CN2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)N=N1	REAL300018072590	1	44	-1.0	-53.85	339.76	6.17	-47.68
CC1=CC=CC=C1N1C=C(CN2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)N=N1	REAL300018072592	1	48	-1.0	-54.05	376.32	9.03	-45.02
CCN1N=CC(CN2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=N1	REAL300018072608	1	41	-1.0	-53.06	321.46	5.33	-47.73
O=C([O-])C1(C2=CC=CC=C2)CCN(CC2=NC=C(Cl)S2)C1	REAL300018072669	0	35	-1.0	-54.77	311.91	6.51	-48.26
CN1N=CC(Cl)=C1CN1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072680	1	39	-1.0	-51.50	324.01	6.66	-44.84
CC(C)(C)N1C=C(CN2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)N=N1	REAL300018072695	1	47	-1.0	-53.94	359.50	6.74	-47.20
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=CC=CC(Cl)=C2[O-])C1	REAL300018072705	0	40	-1.0	-60.92	327.96	10.02	-50.90
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=CC=CC(Cl)=C2[O-])C1	REAL300018072705	1	40	-1.0	-66.09	334.38	9.86	-56.23
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=CC(Cl)=CC(F)=C2[O-])C1	REAL300018072706	0	40	-1.0	-60.69	334.87	10.05	-50.64
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=CC(Cl)=CC(F)=C2[O-])C1	REAL300018072706	1	40	-1.0	-66.44	334.34	10.01	-56.43
O=C([O-])C1(C2=CC=CC=C2)CCN(CC2=NN(C(F)F)C=C2)C1	REAL300018072707	1	39	-1.0	-62.60	326.35	6.61	-55.99
CN1N=CC(Br)=C1CN1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072728	1	39	-1.0	-51.44	327.18	6.70	-44.74
CC1=NN(C)C(CN2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=C1Br	REAL300018072735	1	42	-1.0	-51.93	352.11	7.50	-44.43
CN1C(Cl)=CN=C1CN1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072750	0	39	-1.0	-58.77	321.84	7.17	-51.60
CCN1N=C(C)C(CN2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=N1	REAL300018072772	1	44	-1.0	-59.52	344.45	6.11	-53.41
NS(=O)(=O)C1=CC(CN2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=CC=C1Cl	REAL300018072778	1	44	-1.0	-55.44	376.92	4.21	-51.23
O=C([O-])C1(C2=CC=CC=C2)CCN(CC2=NC=C(Br)C=C2F)C1	REAL300018072788	0	38	-1.0	-53.04	332.35	7.62	-45.42
COC1=CC=C(CN2C=C(CN3CCC(C(=O)[O-])(C4=CC=CC=C4)C3)N=N2)C=C1	REAL300018072811	1	52	-1.0	-56.48	410.39	7.94	-48.54
O=C([O-])C1(C2=CC=CC=C2)CCN(CC2=CN(CC3CCCO3)N=N2)C1	REAL300018072838	1	49	-1.0	-57.60	386.07	6.37	-51.23
CCCN1C=C(CN2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)N=N1	REAL300018072839	1	44	-1.0	-65.14	350.59	6.88	-58.26
CN1N=C(Br)C=C1CN1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072845	1	39	-1.0	-55.75	325.57	6.49	-49.26
CC(C)N1N=CN=C1CN1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072849	1	44	-1.0	-58.88	338.36	8.07	-50.81
CN1N=C(C(F)(F)F)C=C1CN1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072851	1	42	-1.0	-52.78	352.61	7.30	-45.48
NS(=O)(=O)C1=CC=C(CN2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072852	1	41	-1.0	-61.64	356.62	2.88	-58.76
CN1N=CC(C(F)(F)F)=C1CN1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072892	1	42	-1.0	-55.07	327.07	6.15	-48.92
CSCC1=CN=C(CN2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072899	1	42	-1.0	-57.31	361.45	7.91	-49.40
O=C([O-])C1(C2=CC=CC=C2)CCN(CC2=CN(C3CCC3)N=N2)C1	REAL300018072959	1	45	-1.0	-53.78	344.90	6.77	-47.01
CC(C)(C)N1N=NC(CN2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=N1	REAL300018072960	0	46	-1.0	-57.03	364.55	6.52	-50.51
C=CCCN1C=C(CN2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)N=N1	REAL300018072961	1	45	-1.0	-64.64	363.40	7.43	-57.21
COC1=CC=C(C(NCC2=NC=CS2)C(=O)[O-])C=C1Br	REAL300018073870	0	32	-1.0	-52.90	310.91	5.04	-47.86
COC1=CC=C(C(NCC2=CN=CN=C2)C(=O)[O-])C=C1Br	REAL300018073872	1	34	-1.0	-44.37	314.58	5.79	-38.58
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)S1	REAL300018073877	0	39	-1.0	-48.46	359.72	8.59	-39.87
COC1=CC=C(C(NCC2=CN=CS2)C(=O)[O-])C=C1Br	REAL300018073880	0	32	-1.0	-43.76	309.54	5.07	-38.69
COC1=CC=C(C(NCC2=CN=CN2C)C(=O)[O-])C=C1Br	REAL300018073882	1	36	-1.0	-53.01	326.29	7.04	-45.97
COC1=CC=C(C(NCC2=CC(C)=NN2C)C(=O)[O-])C=C1Br	REAL300018073884	1	39	-1.0	-49.94	348.94	5.99	-43.95
COC1=CC=C(C(NCC2=CSC=N2)C(=O)[O-])C=C1Br	REAL300018073886	0	32	-1.0	-48.90	310.74	4.91	-43.99
COC1=CC=C(C(NCC2=CN(C(C)(C)C)N=C2)C(=O)[O-])C=C1Br	REAL300018073887	1	45	-1.0	-47.94	387.69	7.60	-40.34
COC1=CC=C(C(NCC2=CC=NN2C)C(=O)[O-])C=C1Br	REAL300018073888	1	36	-1.0	-45.30	325.42	5.39	-39.91
COC1=CC=C(C(NCC2=CC=CN=C2OC)C(=O)[O-])C=C1Br	REAL300018073889	1	39	-1.0	-47.08	350.96	4.53	-42.55
COC1=CC=C(C(NCC2=CN=C(C)S2)C(=O)[O-])C=C1Br	REAL300018073890	0	35	-1.0	-44.67	331.63	5.74	-38.93
COC1=CC=C(C(NCC2=CN=C(C)N=C2)C(=O)[O-])C=C1Br	REAL300018073892	1	37	-1.0	-47.59	336.50	5.85	-41.74
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)S1	REAL300018073893	0	38	-1.0	-44.20	352.97	6.53	-37.67
COC1=CC=C(C(NCC2=CSC(C(C)C)=N2)C(=O)[O-])C=C1Br	REAL300018073895	0	41	-1.0	-54.94	372.80	6.92	-48.02
COC1=CC=C(C(NCC2=CSC(C3CC3)=N2)C(=O)[O-])C=C1Br	REAL300018073896	0	39	-1.0	-49.58	362.58	7.13	-42.45
CCC1=NC(CNC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)=CS1	REAL300018073897	0	38	-1.0	-53.88	354.41	6.32	-47.56
CCN1C=CN=C1CNC(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073905	0	39	-1.0	-57.55	343.12	7.26	-50.29
COC1=CC=C(C(NCC2=NN(C)C=C2)C(=O)[O-])C=C1Br	REAL300018073908	0	36	-1.0	-52.51	327.66	5.54	-46.97
COC1=CC=C(C(NCC2=CC(C)=NS2)C(=O)[O-])C=C1Br	REAL300018073910	0	35	-1.0	-43.30	331.35	6.23	-37.07
COC1=CC=C(C(NCC2=NC(C)=CS2)C(=O)[O-])C=C1Br	REAL300018073912	0	35	-1.0	-45.85	331.51	5.52	-40.33
COC1=CC=C(C(NCC2=CN=C(N(C)C)N2C)C(=O)[O-])C=C1Br	REAL300018073915	1	44	-1.0	-48.78	377.84	7.22	-41.56
COC1=C(CNC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)SC=C1	REAL300018073923	0	37	-1.0	-50.93	344.92	6.23	-44.70
COC1=CC=C(C(NCC2=CC=NC=C2Cl)C(=O)[O-])C=C1Br	REAL300018073927	1	35	-1.0	-46.40	333.47	6.61	-39.79
COC1=CC=C(C(NCC2=NN(C)C(C)=C2)C(=O)[O-])C=C1Br	REAL300018073928	0	39	-1.0	-54.13	346.21	5.96	-48.17
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)C=N1	REAL300018073929	1	40	-1.0	-47.57	357.98	6.47	-41.10
COC1=CC=C(C(NCC2=NOC(C)=C2)C(=O)[O-])C=C1Br	REAL300018073930	0	35	-1.0	-48.89	323.05	6.04	-42.85
CCN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073931	1	39	-1.0	-53.77	343.17	7.99	-45.78
COC1=CC=C(C(NCC2=CN=C(C)N2C)C(=O)[O-])C=C1Br	REAL300018073932	1	39	-1.0	-49.56	346.36	6.80	-42.76
COC1=CC=C(C(NCC2=CN=C3CCCN23)C(=O)[O-])C=C1Br	REAL300018073933	1	40	-1.0	-51.95	352.34	7.44	-44.51
COC1=CC=C(C(NCC2=CC=C(F)C=N2)C(=O)[O-])C=C1Br	REAL300018073934	1	35	-1.0	-48.47	325.24	6.04	-42.43
COC1=CC=C(C(NCC2=C(C)N=CS2)C(=O)[O-])C=C1Br	REAL300018073935	0	35	-1.0	-44.37	329.24	5.53	-38.84
COC1=CC=C(C(NCC2=CC(C)=NO2)C(=O)[O-])C=C1Br	REAL300018073938	0	35	-1.0	-45.69	323.05	6.09	-39.60
COC1=CC=C(C(NCC2=C(C)OC=C2)C(=O)[O-])C=C1Br	REAL300018073939	1	36	-1.0	-46.06	325.05	6.57	-39.49
COC1=CC=C(C(NCC2=CC=C(C)C=C2Cl)C(=O)[O-])C=C1Br	REAL300018073940	1	39	-1.0	-50.09	360.93	8.95	-41.14
COC1=CC=C(C(NCC2=NOC=C2)C(=O)[O-])C=C1Br	REAL300018073942	0	32	-1.0	-49.11	301.11	5.22	-43.89
COCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)O1	REAL300018073948	0	40	-1.0	-48.68	361.25	5.79	-42.89
COC1=CC=C(C(NCC2=NC=C(C)O2)C(=O)[O-])C=C1Br	REAL300018073950	0	35	-1.0	-46.60	322.19	3.38	-43.22
COC1=CC=C(C(NCC2=NC(C)=CN2)C(=O)[O-])C=C1Br	REAL300018073951	0	36	-1.0	-45.21	326.13	5.17	-40.04
COC1=CC=C(C(NCC2=CC=C(C)C=C2OC)C(=O)[O-])C=C1Br	REAL300018073952	1	43	-1.0	-53.84	375.97	7.90	-45.94
COC1=CC=C(C(NCC2=C(C)N=C(C)O2)C(=O)[O-])C=C1Br	REAL300018073953	0	38	-1.0	-45.66	342.84	3.96	-41.70
COC1=CC=C(C(NCC2=CC=C(C)C=N2)C(=O)[O-])C=C1Br	REAL300018073955	1	38	-1.0	-50.55	341.20	6.66	-43.89
COC1=CC=C(C(NCC2=CC=NS2)C(=O)[O-])C=C1Br	REAL300018073956	0	32	-1.0	-45.90	310.94	5.72	-40.18
COC1=CC=C(C(NCC2=NC=CN2C(C)C)C(=O)[O-])C=C1Br	REAL300018073957	0	42	-1.0	-57.04	367.19	7.67	-49.37
CCC1=NN(C)C=C1CNC(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073961	1	42	-1.0	-51.65	371.00	6.98	-44.67
COC1=CC=C(C(NCC2=NN3CCCCC3=C2)C(=O)[O-])C=C1Br	REAL300018073962	0	43	-1.0	-54.86	369.52	7.13	-47.73
COC1=NC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)S1	REAL300018073964	0	36	-1.0	-43.93	342.44	3.39	-40.54
COC1=CC=C(C(NCC2=NC=CN=C2C)C(=O)[O-])C=C1Br	REAL300018073965	0	37	-1.0	-44.67	331.75	4.63	-40.04
CCN1N=CN=C1CNC(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073968	0	38	-1.0	-48.36	340.95	6.91	-41.45
COC1=CC=C(C(NCC2=CN=C(Cl)N2C)C(=O)[O-])C=C1Br	REAL300018073969	1	36	-1.0	-41.05	341.12	6.69	-34.36
COC1=CC=C(C(NCC2=NC=C(C)N2C)C(=O)[O-])C=C1Br	REAL300018073970	0	39	-1.0	-47.68	346.44	6.75	-40.93
CCOC1=CC=CC(CNC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)=N1	REAL300018073971	1	42	-1.0	-48.95	375.39	5.43	-43.52
COC1=CC=C(C(NCC2=C(C)N=NS2)C(=O)[O-])C=C1Br	REAL300018073979	0	34	-1.0	-42.86	324.10	4.94	-37.92
COC1=CC=C(C(NCC2=CC=CC(F)=C2N)C(=O)[O-])C=C1Br	REAL300018073981	1	38	-1.0	-43.45	338.58	5.96	-37.49
COC1=CC=C(C(NCC2=NC(Cl)=CS2)C(=O)[O-])C=C1Br	REAL300018073983	0	32	-1.0	-52.78	327.89	5.46	-47.32
COC1=NSC(CNC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)=C1	REAL300018073984	0	36	-1.0	-44.05	342.26	3.70	-40.35
COC1=CC=C(C(NCC2=C(C)N(C)N=C2)C(=O)[O-])C=C1Br	REAL300018073985	1	39	-1.0	-49.11	346.90	6.06	-43.05
COC1=CC=C(C(NCC2=CN=C(C3CC3)O2)C(=O)[O-])C=C1Br	REAL300018073987	0	39	-1.0	-50.59	355.07	5.15	-45.44
CCOC1=CN=CC(CNC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)=C1	REAL300018073989	1	42	-1.0	-50.45	372.42	6.30	-44.15
COC1=CC=C(C(NCC2=CC(C3CC3)=NN2C)C(=O)[O-])C=C1Br	REAL300018073990	1	43	-1.0	-43.57	377.26	7.44	-36.13
COC1=CC=C(C(NCC2=CC=NN2CC2CC2)C(=O)[O-])C=C1Br	REAL300018073993	1	43	-1.0	-44.98	379.92	7.85	-37.13
COC1=CC=C(C(NCC2=NC=NN2C)C(=O)[O-])C=C1Br	REAL300018073996	0	35	-1.0	-48.98	320.19	6.04	-42.94
COC1=CC=C(C(NCC2=CN=CC(OC)=C2C)C(=O)[O-])C=C1Br	REAL300018073997	1	42	-1.0	-45.59	363.77	5.88	-39.71
CCC1=CNC(CNC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)=N1	REAL300018073998	0	39	-1.0	-47.44	349.13	5.94	-41.50
COC1=CC=C(C(NCC2=CC3=CN=CC=C3O2)C(=O)[O-])C=C1Br	REAL300018073999	0	38	-1.0	-52.35	347.64	6.67	-45.68
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(C)=C2)C(Cl)=C1OC	REAL300018077816	1	43	-1.0	-43.93	378.11	8.27	-35.66
CC1=CC(C(NCC2=CC3=CC=CC=C3S2)C(=O)[O-])=CC=C1F	REAL300018077818	0	38	-1.0	-49.03	340.31	10.20	-38.83
CC1=CC(C(NCC2=CSC([N+](=O)[O-])=C2)C(=O)[O-])=CC=C1F	REAL300018077824	0	34	-1.0	-39.96	321.80	8.32	-31.64
COC1=CC=C(Br)C(CNC(C(=O)[O-])C2=CC=C(F)C(C)=C2)=C1	REAL300018077828	1	39	-1.0	-44.59	345.33	8.35	-36.24
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1[N+](=O)[O-]	REAL300018077829	1	41	-1.0	-46.22	358.69	9.32	-36.90
CC1=CC(C(NCC2=CC=C(F)C=C2Br)C(=O)[O-])=CC=C1F	REAL300018077836	1	35	-1.0	-43.48	325.00	9.13	-34.35
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(C)=C2)S1	REAL300018077846	0	38	-1.0	-45.75	336.51	9.34	-36.41
CC1=CC(C(NCC2=NC3=CC=CC=C3N2C)C(=O)[O-])=CC=C1F	REAL300018077847	0	41	-1.0	-55.95	349.58	8.94	-47.01
CC1=CC(C(NCC2=CSC(Br)=C2)C(=O)[O-])=CC=C1F	REAL300018077849	1	32	-1.0	-39.77	313.26	8.24	-31.53
CC1=CC(C(NCC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])=CC=C1F	REAL300018077855	1	38	-1.0	-55.22	342.50	7.74	-47.48
CC1=CC(C(NCC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])=CC=C1F	REAL300018077866	1	42	-1.0	-45.85	368.42	9.86	-35.99
CC1=CC(C(NCC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])=CC=C1F	REAL300018077867	1	42	-1.0	-45.34	378.49	10.38	-34.96
CC1=CC(C(NCC2=CN(C(C)(C)C)N=C2)C(=O)[O-])=CC=C1F	REAL300018077868	1	44	-1.0	-47.24	365.93	8.40	-38.84
CC1=CC(C(NCC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(=O)[O-])=CC=C1F	REAL300018077871	0	42	-1.0	-46.23	387.50	11.93	-34.30
CC1=CC(C(NCC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])=CC=C1F	REAL300018077872	1	45	-1.0	-46.33	371.95	8.53	-37.80
CC1=CC(C(NCC2=CSC(C3=CC=CC=N3)=N2)C(=O)[O-])=CC=C1F	REAL300018077879	0	40	-1.0	-50.05	361.86	7.49	-42.56
COC1=NC=C(Br)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300018077880	1	38	-1.0	-42.45	349.10	5.87	-36.58
COC1=NC=CC=C1CNC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300018077881	1	38	-1.0	-45.30	327.77	5.27	-40.03
CC1=CC(C(NCC2=CC=C(Br)C=N2)C(=O)[O-])=CC=C1F	REAL300018077882	1	34	-1.0	-45.59	317.89	7.33	-38.26
CC1=CC(C(NCC2=CN=C(N3CCOCC3)S2)C(=O)[O-])=CC=C1F	REAL300018077883	0	44	-1.0	-46.71	376.85	5.89	-40.82
CC1=CC(C(NCC2=CC=CC3=C2OCCO3)C(=O)[O-])=CC=C1F	REAL300018077886	1	41	-1.0	-46.80	345.11	7.71	-39.09
CC1=CC(C(NCC2=CC=CC3=C2OCCCO3)C(=O)[O-])=CC=C1F	REAL300018077887	1	44	-1.0	-47.21	363.59	8.50	-38.71
CC1=CC(C(NCC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])=CC=C1F	REAL300018077891	1	43	-1.0	-44.13	370.91	9.80	-34.33
CC1=CC(C(NCC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])=CC=C1F	REAL300018077892	1	46	-1.0	-46.38	381.08	7.03	-39.35
CC1=CC(C(NCC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])=CC=C1F	REAL300018077895	0	42	-1.0	-48.18	368.96	11.23	-36.95
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(F)C(C)=C2)S1	REAL300018077899	0	37	-1.0	-42.55	329.78	7.26	-35.29
CC1=CC(C(NCC2=CN=C(N(C)C)S2)C(=O)[O-])=CC=C1F	REAL300018077901	0	39	-1.0	-44.96	342.35	7.53	-37.43
CC1=CC=C(C2=NC(CNC(C(=O)[O-])C3=CC=C(F)C(C)=C3)=CS2)C=C1	REAL300018077903	0	44	-1.0	-54.50	389.17	10.11	-44.39
CC1=CC(C(NCC2=CSC(C(C)C)=N2)C(=O)[O-])=CC=C1F	REAL300018077904	0	40	-1.0	-48.56	349.52	7.56	-41.00
CC1=CC(C(NCC2=CSC(C3CC3)=N2)C(=O)[O-])=CC=C1F	REAL300018077905	0	38	-1.0	-47.29	339.61	7.82	-39.47
CC1=CC(C(NCC2=CSC(COC3=CC=CC=C3)=N2)C(=O)[O-])=CC=C1F	REAL300018077907	0	45	-1.0	-46.28	398.03	8.88	-37.40
CCC1=NC(CNC(C(=O)[O-])C2=CC=C(F)C(C)=C2)=CS1	REAL300018077908	0	37	-1.0	-44.43	329.79	6.99	-37.44
CC1=CC(C(NCC2=CSC(C(C)(C)C)=N2)C(=O)[O-])=CC=C1F	REAL300018077917	0	43	-1.0	-52.91	369.87	8.13	-44.78
CC1=CC(C(NCC2=CSC(C3=CSC=C3)=N2)C(=O)[O-])=CC=C1F	REAL300018077918	0	38	-1.0	-44.52	357.62	8.25	-36.27
CC1=CC(C(NCC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])=CC=C1F	REAL300018077919	0	42	-1.0	-46.69	377.18	11.50	-35.19
CC1=CC(C(NCC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])=CC=C1F	REAL300018077922	0	38	-1.0	-45.88	345.44	9.53	-36.35
CC1=CC(C(NCC2=CN=C(C(C)(C)C)S2)C(=O)[O-])=CC=C1F	REAL300018077923	0	43	-1.0	-42.91	368.44	8.34	-34.57
CC1=CC=C(C2=CC=C(CNC(C(=O)[O-])C3=CC=C(F)C(C)=C3)S2)C=C1	REAL300018077926	0	45	-1.0	-49.36	392.41	12.04	-37.32
COC1=C(Cl)C=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300018077927	1	39	-1.0	-44.23	365.67	9.01	-35.22
CC1=CC(C(NCC2=CN(C3=CC=CC=C3)N=N2)C(=O)[O-])=CC=C1F	REAL300018077940	0	41	-1.0	-57.53	354.77	8.44	-49.09
CC1=CC(C(NCC2=NC(C3=CC=CC=C3)=CS2)C(=O)[O-])=CC=C1F	REAL300018077941	0	41	-1.0	-46.64	366.27	9.35	-37.29
CC1=CC(C(NCC2=CN=C(C3=CC=CC=C3)S2)C(=O)[O-])=CC=C1F	REAL300018077944	0	41	-1.0	-44.64	366.62	9.59	-35.05
COC1=CC(CNC(C(=O)[O-])C2=CC=C(F)C(C)=C2)=C2OC(C)CC2=C1	REAL300018077945	1	47	-1.0	-47.11	388.03	8.43	-38.68
CC1=CC(C(NCC2=NN(C)C3=CC=CC=C23)C(=O)[O-])=CC=C1F	REAL300018077946	0	41	-1.0	-47.87	351.70	8.44	-39.43
CC1=CC(C(NCC2=NC=CN2CC(F)(F)F)C(=O)[O-])=CC=C1F	REAL300018077949	0	38	-1.0	-55.12	340.46	8.15	-46.97
CC1=CC(C(NCC2=COC(C3=CC=CC=C3)=N2)C(=O)[O-])=CC=C1F	REAL300018077953	0	41	-1.0	-47.65	359.82	7.01	-40.64
CC1=CC(C(NCC2=CSC(C3=CC=CS3)=N2)C(=O)[O-])=CC=C1F	REAL300018077954	0	38	-1.0	-50.50	357.16	8.35	-42.15
CC1=CC(C(NCC2=CC=C(Br)C=C2Cl)C(=O)[O-])=CC=C1F	REAL300018077957	1	35	-1.0	-44.42	337.59	9.65	-34.77
CC1=CC(C(NCC2=CN=C(N(C)C)N2C)C(=O)[O-])=CC=C1F	REAL300018077959	1	43	-1.0	-42.50	360.39	7.59	-34.91
CC1=CC(C(NCC2=NC(C3=CC=CC=C3)=CN2)C(=O)[O-])=CC=C1F	REAL300018077960	0	42	-1.0	-57.45	362.08	8.91	-48.54
COC1=CC2=C(C=C1CNC(C(=O)[O-])C1=CC=C(F)C(C)=C1)OCO2	REAL300018077970	1	42	-1.0	-49.82	357.51	6.59	-43.23
COC1=CC(Cl)=C(CNC(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1OC	REAL300018077971	1	43	-1.0	-45.39	372.44	8.18	-37.21
COC1=C(CNC(C(=O)[O-])C2=CC=C(F)C(C)=C2)SC=C1	REAL300018077972	0	36	-1.0	-48.67	321.86	6.93	-41.74
CC1=CC(C(NCC2=CC=CC3=C2OC(C)(C)C3)C(=O)[O-])=CC=C1F	REAL300018077977	1	46	-1.0	-52.39	378.99	9.75	-42.64
CC1=CC(C(NCC2=NC3=C(CCCC3)S2)C(=O)[O-])=CC=C1F	REAL300018077978	0	41	-1.0	-52.05	351.69	8.33	-43.72
CC1=CC(C(NCC2=CC=NC=C2Br)C(=O)[O-])=CC=C1F	REAL300018077979	0	34	-1.0	-43.80	313.89	7.47	-36.33
CC1=CC(C(NCC2=CC=NC=C2Cl)C(=O)[O-])=CC=C1F	REAL300018077980	1	34	-1.0	-43.84	310.26	7.36	-36.48
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=N1	REAL300018077983	1	39	-1.0	-42.00	334.70	7.11	-34.89
CC1=CC(C(NCC2=CC3=CC(Br)=CC=C3O2)C(=O)[O-])=CC=C1F	REAL300018077987	0	38	-1.0	-43.89	350.77	9.70	-34.19
CC1=CC(C(NCC2=CN=C3CCCN23)C(=O)[O-])=CC=C1F	REAL300018077988	1	39	-1.0	-45.98	327.60	8.16	-37.82
CC1=CC(C(NCC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])=CC=C1F	REAL300018077992	1	45	-1.0	-42.07	373.23	8.51	-33.56
CC1=CC=C(CNC(C(=O)[O-])C2=CC=C(F)C(C)=C2)C(Cl)=C1	REAL300018077994	1	38	-1.0	-48.31	338.97	9.67	-38.64
CC1=CC(C(NCC2=CC=C([N+](=O)[O-])C(Cl)=C2)C(=O)[O-])=CC=C1F	REAL300018077995	1	37	-1.0	-45.54	343.84	9.63	-35.91
CC1=CC=C(C2=NC=C(CNC(C(=O)[O-])C3=CC=C(F)C(C)=C3)S2)C=C1	REAL300018077999	0	44	-1.0	-44.68	388.17	10.22	-34.46
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C(Cl)=C1OC	REAL300018078875	1	46	-1.0	-56.00	391.25	8.83	-47.17
CC1=CC=C(C(NCC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])C=C1C	REAL300018078876	0	45	-1.0	-53.64	382.25	11.70	-41.94
CC1=CC=C(C(NCC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1C	REAL300018078877	1	41	-1.0	-54.69	352.25	10.64	-44.05
CC1=CC=C(C(NCC2=CSC([N+](=O)[O-])=C2)C(=O)[O-])C=C1C	REAL300018078883	0	37	-1.0	-43.81	333.34	8.86	-34.95
COC1=CC=C(Br)C(CNC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=C1	REAL300018078886	1	42	-1.0	-50.01	357.03	8.85	-41.16
CC1=CC=C(C(NCC2=CC=C(F)C=C2Br)C(=O)[O-])C=C1C	REAL300018078894	1	38	-1.0	-48.15	336.72	9.63	-38.52
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C)C(C)=C2)S1	REAL300018078904	1	41	-1.0	-52.15	347.13	9.79	-42.36
CC1=CC=C(C(NCC2=NC3=CC=CC=C3N2C)C(=O)[O-])C=C1C	REAL300018078905	0	44	-1.0	-60.76	361.03	9.51	-51.25
CC1=CC=C(C(NCC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])C=C1C	REAL300018078913	1	41	-1.0	-60.95	354.47	8.19	-52.76
CC1=CC=C(C(NCC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(=O)[O-])C=C1C	REAL300018078929	1	45	-1.0	-51.87	399.47	12.38	-39.49
CC1=CC=C(C(NCC2=CSC(C3=CC=CC=N3)=N2)C(=O)[O-])C=C1C	REAL300018078938	0	43	-1.0	-56.18	373.71	7.95	-48.23
COC1=NC=C(Br)C=C1CNC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300018078939	1	41	-1.0	-47.63	360.81	6.38	-41.25
COC1=NC=CC=C1CNC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300018078940	1	41	-1.0	-50.88	339.48	5.77	-45.11
CC1=CC=C(C(NCC2=CC=C(Br)C=N2)C(=O)[O-])C=C1C	REAL300018078941	1	37	-1.0	-50.82	329.74	7.80	-43.02
CC1=CC=C(C(NCC2=CN=C(N3CCOCC3)S2)C(=O)[O-])C=C1C	REAL300018078942	0	47	-1.0	-51.69	388.55	6.41	-45.28
CC1=CC=C(C(NCC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1C	REAL300018078945	1	44	-1.0	-54.09	356.40	8.26	-45.83
CC1=CC=C(C(NCC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1C	REAL300018078946	1	47	-1.0	-54.46	373.30	9.06	-45.40
CC1=CC=C(C(NCC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1C	REAL300018078950	1	46	-1.0	-48.83	382.60	10.32	-38.51
CC1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1C	REAL300018078954	1	45	-1.0	-53.91	380.93	11.67	-42.24
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C)C(C)=C2)S1	REAL300018078958	0	40	-1.0	-47.83	341.63	7.73	-40.10
CC1=CC=C(C(NCC2=CN=C3C=CC=CN23)C(=O)[O-])C=C1C	REAL300018078959	0	41	-1.0	-51.03	340.29	9.47	-41.56
CC1=CC=C(C(NCC2=CN=C(N(C)C)S2)C(=O)[O-])C=C1C	REAL300018078960	0	42	-1.0	-50.88	354.79	8.02	-42.86
CC1=CC=C(C2=NC(CNC(C(=O)[O-])C3=CC=C(C)C(C)=C3)=CS2)C=C1	REAL300018078962	0	47	-1.0	-60.04	400.87	10.61	-49.43
CC1=CC=C(C(NCC2=CSC(C(C)C)=N2)C(=O)[O-])C=C1C	REAL300018078963	0	43	-1.0	-54.08	361.20	8.07	-46.01
CC1=CC=C(C(NCC2=CSC(C3CC3)=N2)C(=O)[O-])C=C1C	REAL300018078964	0	41	-1.0	-52.93	351.32	8.31	-44.62
CC1=CC=C(C(NCC2=CSC(COC3=CC=CC=C3)=N2)C(=O)[O-])C=C1C	REAL300018078966	0	48	-1.0	-51.73	409.73	9.37	-42.36
CCC1=NC(CNC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=CS1	REAL300018078967	0	40	-1.0	-49.55	341.35	7.54	-42.01
CC1=CC=C(OCC2=NC(CNC(C(=O)[O-])C3=CC=C(C)C(C)=C3)=CS2)C=C1	REAL300018078974	0	51	-1.0	-51.61	431.14	10.05	-41.56
CC1=CC=C(C(NCC2=CSC(C(C)(C)C)=N2)C(=O)[O-])C=C1C	REAL300018078976	0	46	-1.0	-58.52	381.57	8.64	-49.88
CC1=CC=C(C(NCC2=CSC(C3=CSC=C3)=N2)C(=O)[O-])C=C1C	REAL300018078977	0	41	-1.0	-58.82	370.75	8.82	-50.00
CC1=CC=C(C(NCC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])C=C1C	REAL300018078978	1	45	-1.0	-51.89	388.90	11.99	-39.90
CC1=CC=C(C(NCC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])C=C1C	REAL300018078981	1	41	-1.0	-50.87	357.00	10.07	-40.80
CC1=CC=C(C(NCC2=CN=C(C(C)(C)C)S2)C(=O)[O-])C=C1C	REAL300018078982	0	46	-1.0	-48.27	380.29	8.80	-39.47
CC1=CC(CNC(C(=O)[O-])C2=CC=C(C)C(C)=C2)=C(C)S1	REAL300018078984	0	41	-1.0	-49.64	343.62	9.60	-40.04
CC1=CC=C(C2=CC=C(CNC(C(=O)[O-])C3=CC=C(C)C(C)=C3)S2)C=C1	REAL300018078985	1	48	-1.0	-52.47	404.13	12.54	-39.93
COC1=C(Cl)C=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300018078986	1	42	-1.0	-49.83	377.22	9.55	-40.28
CC1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=NN2)C(=O)[O-])C=C1C	REAL300018078998	0	45	-1.0	-47.86	372.70	8.98	-38.88
CC1=CC=C(C(NCC2=CN(C3=CC=CC=C3)N=N2)C(=O)[O-])C=C1C	REAL300018079000	0	44	-1.0	-63.03	367.75	8.92	-54.11
COC1=CC=C(C(NCC2=CSC([N+](=O)[O-])=C2)C(=O)[O-])C=C1Cl	REAL300018079938	0	35	-1.0	-41.66	340.59	7.47	-34.19
COC1=CC=C(C(NCC2=CC=C(OC)C([N+](=O)[O-])=C2)C(=O)[O-])C=C1Cl	REAL300018079943	1	42	-1.0	-58.00	376.17	8.50	-49.50
COC1=CC=C(C(NCC2=NC=CS2)C(=O)[O-])C=C1Cl	REAL300018079948	0	32	-1.0	-52.97	306.52	4.94	-48.03
COC1=CC=C(C(NCC2=CN=CN=C2)C(=O)[O-])C=C1Cl	REAL300018079950	1	34	-1.0	-44.37	310.19	5.68	-38.69
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)S1	REAL300018079959	0	39	-1.0	-48.42	355.33	8.48	-39.94
COC1=CC=C(C(NCC2=NC3=CC=CC=C3N2C)C(=O)[O-])C=C1Cl	REAL300018079961	0	42	-1.0	-58.98	368.15	8.15	-50.83
COC1=CC=C(C(NCC2=CSC(Br)=C2)C(=O)[O-])C=C1Cl	REAL300018079963	1	33	-1.0	-44.46	332.21	7.35	-37.11
COC1=CC=C(C(NCC2=CN=CS2)C(=O)[O-])C=C1Cl	REAL300018079966	0	32	-1.0	-43.68	305.15	4.96	-38.72
COC1=CC=C(C(NCC2=CN=CN2C)C(=O)[O-])C=C1Cl	REAL300018079968	1	36	-1.0	-53.10	321.90	6.93	-46.17
COC1=CC=C(C(NCC2=CC(C)=NN2C)C(=O)[O-])C=C1Cl	REAL300018079970	1	39	-1.0	-49.97	344.55	5.89	-44.08
COC1=CC=C(C(NCC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])C=C1Cl	REAL300018079972	1	39	-1.0	-54.05	359.98	6.80	-47.25
COC1=CC=C(C(NCC2=CSC=N2)C(=O)[O-])C=C1Cl	REAL300018079977	0	32	-1.0	-48.87	306.35	4.80	-44.07
COC1=CC=C(C(NCC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])C=C1Cl	REAL300018079981	1	43	-1.0	-48.67	387.19	9.04	-39.63
COC1=CC=C(C(NCC2=CN(C(C)(C)C)N=C2)C(=O)[O-])C=C1Cl	REAL300018079982	1	45	-1.0	-47.87	383.31	7.49	-40.38
COC1=CC=C(C(NCC2=CC=NN2C)C(=O)[O-])C=C1Cl	REAL300018079983	1	36	-1.0	-45.27	321.03	5.27	-40.00
COC1=CC=C(C(NCC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])C=C1Cl	REAL300018079984	1	46	-1.0	-48.07	390.99	7.62	-40.45
COC1=CC=C(C(NCC2=CSC(C3=CC=CC=N3)=N2)C(=O)[O-])C=C1Cl	REAL300018079988	0	41	-1.0	-60.04	379.73	6.61	-53.43
COC1=CC=C(C(NCC2=CC=CN=C2OC)C(=O)[O-])C=C1Cl	REAL300018079989	1	39	-1.0	-47.00	346.58	4.43	-42.57
COC1=CC=C(C(NCC2=CC=C(Br)C=N2)C(=O)[O-])C=C1Cl	REAL300018079990	1	35	-1.0	-48.23	335.76	6.45	-41.78
COC1=CC=C(C(NCC2=CN=C(N3CCOCC3)S2)C(=O)[O-])C=C1Cl	REAL300018079991	0	45	-1.0	-48.29	395.65	5.06	-43.23
COC1=CC=C(C(NCC2=CN=C(C)S2)C(=O)[O-])C=C1Cl	REAL300018079993	0	35	-1.0	-44.61	327.25	5.62	-38.99
COC1=CC=C(C(NCC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1Cl	REAL300018079994	1	42	-1.0	-52.10	363.64	6.87	-45.23
COC1=CC=C(C(NCC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1Cl	REAL300018079995	1	45	-1.0	-53.91	383.58	7.76	-46.15
COC1=CC=C(C(NCC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1Cl	REAL300018079998	1	44	-1.0	-50.55	391.11	9.05	-41.50
COC1=CC=C(C(NCC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])C=C1Cl	REAL300018079999	1	47	-1.0	-47.81	399.87	6.17	-41.64
COC1=CC=C(CNC(C(=O)[O-])C2=CC=CC(C)=C2C)C(Cl)=C1OC	REAL300018080964	1	46	-1.0	-50.22	378.32	8.78	-41.44
CC1=CC=CC(C(NCC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])=C1C	REAL300018080965	0	45	-1.0	-47.48	373.03	11.56	-35.92
CC1=CC=CC(C(NCC2=CC3=CC=CC=C3S2)C(=O)[O-])=C1C	REAL300018080966	1	41	-1.0	-47.49	341.86	10.59	-36.90
CC1=CC=CC(C(NCC2=CSC([N+](=O)[O-])=C2)C(=O)[O-])=C1C	REAL300018080972	0	37	-1.0	-47.74	325.69	8.74	-39.00
COC1=CC=C(Br)C(CNC(C(=O)[O-])C2=CC=CC(C)=C2C)=C1	REAL300018080975	1	42	-1.0	-48.31	349.27	8.78	-39.53
CC1=CC=CC(C(NCC2=CC=C(F)C=C2Br)C(=O)[O-])=C1C	REAL300018080983	1	38	-1.0	-46.08	328.51	9.59	-36.49
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=CC(C)=C2C)S1	REAL300018080993	1	41	-1.0	-47.25	338.80	9.66	-37.59
CC1=CC=CC(C(NCC2=NC3=CC=CC=C3N2C)C(=O)[O-])=C1C	REAL300018080994	0	44	-1.0	-59.24	350.94	9.35	-49.89
COC1=CC=C(C(NCC2=CC=C(OC)C(OC)=C2Cl)C(=O)[O-])C=C1F	REAL300018082032	1	44	-1.0	-53.54	387.26	7.02	-46.52
COC1=CC=C(C(NCC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1F	REAL300018082034	0	39	-1.0	-50.83	349.30	8.85	-41.98
COC1=CC=C(C(NCC2=CSC([N+](=O)[O-])=C2)C(=O)[O-])C=C1F	REAL300018082039	0	35	-1.0	-42.05	330.79	6.99	-35.06
COC1=CC=C(Br)C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082044	0	40	-1.0	-46.59	354.34	7.03	-39.56
COC1=CC=C(C(NCC2=CC=C(OC)C([N+](=O)[O-])=C2)C(=O)[O-])C=C1F	REAL300018082045	1	42	-1.0	-59.49	367.67	8.02	-51.47
COC1=CC=C(C(NCC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=C1F	REAL300018082046	1	36	-1.0	-41.82	344.05	8.24	-33.58
COC1=CC=C(C(NCC2=CC=C(F)C=C2Br)C(=O)[O-])C=C1F	REAL300018082052	0	36	-1.0	-46.77	334.00	7.80	-38.97
COC1=CC=C(C(NCC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])C=C1F	REAL300018082053	1	39	-1.0	-44.27	351.77	6.36	-37.91
COC1=CC=C(C(NCC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])C=C1F	REAL300018082056	1	42	-1.0	-54.25	371.30	4.76	-49.49
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)S1	REAL300018082063	0	39	-1.0	-49.06	345.53	7.99	-41.07
COC1=CC=C(C(NCC2=NC3=CC=CC=C3N2C)C(=O)[O-])C=C1F	REAL300018082064	0	42	-1.0	-59.91	358.35	7.67	-52.24
COC1=CC=C(C(NCC2=CSC(Br)=C2)C(=O)[O-])C=C1F	REAL300018082066	1	33	-1.0	-45.23	322.41	6.88	-38.35
COC1=CC=C(C(NCC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])C=C1F	REAL300018082068	1	44	-1.0	-52.87	385.75	3.98	-48.89
COC1=CC=C(C(NCC2=CC(C)=NN2C)C(=O)[O-])C=C1F	REAL300018082071	1	39	-1.0	-50.36	334.50	5.46	-44.90
COC1=CC=C(C(NCC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])C=C1F	REAL300018082073	1	39	-1.0	-55.47	350.32	6.29	-49.18
COC1=CC=C(C(NCC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])C=C1F	REAL300018082082	1	43	-1.0	-48.61	376.08	8.56	-40.05
COC1=CC=C(C(NCC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])C=C1F	REAL300018082083	1	43	-1.0	-49.40	387.71	9.00	-40.40
COC1=CC=C(C(NCC2=CN(C(C)(C)C)N=C2)C(=O)[O-])C=C1F	REAL300018082084	1	45	-1.0	-48.01	373.35	7.05	-40.96
COC1=CC=C(C(NCC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])C=C1F	REAL300018082086	1	46	-1.0	-48.11	380.94	7.19	-40.92
COC1=CC=C(C(NCC2=CSC(C3=CC=CC=N3)=N2)C(=O)[O-])C=C1F	REAL300018082092	0	41	-1.0	-61.36	370.99	6.13	-55.23
COC1=CC=C(C(NCC2=CC(Br)=CN=C2OC)C(=O)[O-])C=C1F	REAL300018082093	0	39	-1.0	-44.38	358.10	4.54	-39.84
COC1=CC=C(C(NCC2=CC=CN=C2OC)C(=O)[O-])C=C1F	REAL300018082094	0	39	-1.0	-47.24	336.77	3.93	-43.31
COC1=CC=C(C(NCC2=CC=C(Br)C=N2)C(=O)[O-])C=C1F	REAL300018082095	1	35	-1.0	-49.03	325.96	5.98	-43.05
COC1=CC=C(C(NCC2=CN=C(N3CCOCC3)S2)C(=O)[O-])C=C1F	REAL300018082096	0	45	-1.0	-48.61	385.85	4.58	-44.03
COC1=CC=C(C(NCC2=CN=C(C)S2)C(=O)[O-])C=C1F	REAL300018082099	0	35	-1.0	-44.70	317.29	5.18	-39.52
COC1=CC=C(C(NCC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1F	REAL300018082100	1	42	-1.0	-51.98	353.69	6.42	-45.56
COC1=CC=C(C(NCC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1F	REAL300018082101	1	45	-1.0	-55.42	374.02	7.22	-48.20
COC1=CC=C(C(NCC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1F	REAL300018082104	1	44	-1.0	-50.63	380.00	8.56	-42.07
COC1=CC=C(C(NCC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])C=C1F	REAL300018082105	1	47	-1.0	-48.18	390.07	5.69	-42.49
COC1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1F	REAL300018082109	0	43	-1.0	-48.44	376.80	9.78	-38.66
COC1=CC=C(C(NCC2=CN=C(C)N=C2)C(=O)[O-])C=C1F	REAL300018082112	1	37	-1.0	-49.23	323.62	5.24	-43.99
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)S1	REAL300018082114	0	38	-1.0	-44.66	338.93	5.90	-38.76
COC1=CC=C(C(NCC2=CN=C3C=CC=CN23)C(=O)[O-])C=C1F	REAL300018082115	1	39	-1.0	-47.53	337.58	7.63	-39.90
COC1=CC=C(C(NCC2=CN=C(N(C)C)S2)C(=O)[O-])C=C1F	REAL300018082116	0	40	-1.0	-52.29	353.27	6.30	-45.99
COC1=CC=C(C(NCC2=CSC(C3=CC=C(C)C=C3)=N2)C(=O)[O-])C=C1F	REAL300018082118	0	45	-1.0	-56.08	398.17	8.78	-47.30
COC1=CC=C(C(NCC2=CSC(C(C)C)=N2)C(=O)[O-])C=C1F	REAL300018082119	0	41	-1.0	-55.71	358.61	6.33	-49.38
COC1=CC=C(C(NCC2=CSC(C3CC3)=N2)C(=O)[O-])C=C1F	REAL300018082120	0	39	-1.0	-50.18	348.39	6.54	-43.64
CCC1=NC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=CS1	REAL300018082121	0	38	-1.0	-54.02	340.21	5.74	-48.28
COC1=CC=C(C(NCC2=CSC(C(C)(C)C)=N2)C(=O)[O-])C=C1F	REAL300018082129	0	44	-1.0	-54.28	378.62	6.86	-47.42
COC1=CC=C(C(NCC2=CSC(C3=CSC=C3)=N2)C(=O)[O-])C=C1F	REAL300018082130	0	39	-1.0	-57.22	368.03	7.00	-50.22
COC1=CC=C(C(NCC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])C=C1F	REAL300018082131	0	43	-1.0	-47.01	384.87	10.08	-36.93
COC1=CC=C(C(NCC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])C=C1F	REAL300018082134	0	39	-1.0	-56.78	355.62	8.32	-48.46
COC1=CC=C(C(NCC2=CN=C(C(C)(C)C)S2)C(=O)[O-])C=C1F	REAL300018082135	0	44	-1.0	-47.49	377.60	6.98	-40.51
COC1=CC=C(C(NCC2=CC=C(C3=CC=C(C)C=C3)S2)C(=O)[O-])C=C1F	REAL300018082138	0	46	-1.0	-47.46	400.00	10.65	-36.81
COC1=CC=C(C(NCC2=CC(Cl)=CC(Cl)=C2OC)C(=O)[O-])C=C1F	REAL300018082139	1	40	-1.0	-49.40	374.77	7.67	-41.73
CCOC1=C(OC)C=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=C1OC	REAL300018082141	1	51	-1.0	-48.45	424.52	7.26	-41.19
COC1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=NN2)C(=O)[O-])C=C1F	REAL300018082149	1	43	-1.0	-44.97	369.99	7.15	-37.82
CCN1C=CN=C1CNC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082150	0	39	-1.0	-58.39	328.94	6.67	-51.72
COC1=CC=C(C(NCC2=CN(C3=CC=CC=C3)N=N2)C(=O)[O-])C=C1F	REAL300018082152	0	42	-1.0	-62.26	365.05	7.11	-55.15
COC1=CC=C(C(NCC2=NC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1F	REAL300018082153	0	42	-1.0	-47.40	372.76	7.97	-39.43
COC1=CC=C(C(NCC2=CN=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1F	REAL300018082156	0	42	-1.0	-51.36	376.97	8.33	-43.03
COC1=CC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C2OC(C)CC2=C1	REAL300018082157	1	48	-1.0	-57.94	398.62	7.14	-50.80
COC1=CC=C(C(NCC2=NN(C)C3=CC=CC=C23)C(=O)[O-])C=C1F	REAL300018082158	0	42	-1.0	-51.54	360.68	7.11	-44.43
COC1=CC=C(C(NCC2=NC=CN2CC(F)(F)F)C(=O)[O-])C=C1F	REAL300018082161	0	39	-1.0	-58.53	349.47	6.83	-51.70
COC1=CC=C(C(NCC2=CC(C)=NS2)C(=O)[O-])C=C1F	REAL300018082165	0	35	-1.0	-44.03	317.16	5.65	-38.38
COC1=CC=C(C(NCC2=COC(C3=CC=CC=C3)=N2)C(=O)[O-])C=C1F	REAL300018082166	0	42	-1.0	-50.63	368.60	5.74	-44.89
COC1=CC=C(C(NCC2=CSC(C3=CC=CS3)=N2)C(=O)[O-])C=C1F	REAL300018082167	0	39	-1.0	-54.25	366.14	7.03	-47.22
COC1=CC=C(C(NCC2=NC(C)=CS2)C(=O)[O-])C=C1F	REAL300018082169	0	35	-1.0	-54.56	318.77	4.99	-49.57
COC1=CC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=CC(C(F)(F)F)=C1	REAL300018082170	1	43	-1.0	-44.41	378.82	7.52	-36.89
COC1=CC=C(C(NCC2=CC=CN=C2C)C(=O)[O-])C=C1F	REAL300018082171	1	38	-1.0	-44.67	322.94	6.17	-38.50
COC1=CC=C(C(NCC2=CN=C(N(C)C)N2C)C(=O)[O-])C=C1F	REAL300018082173	1	44	-1.0	-49.62	363.65	6.63	-42.99
COC1=CC=C(C(NCC2=NC(C3=CC=CC=C3)=CN2)C(=O)[O-])C=C1F	REAL300018082174	0	43	-1.0	-58.75	371.08	7.58	-51.17
COC1=CC=C(C(NCC2=CC3=C(C=C2OC)OCO3)C(=O)[O-])C=C1F	REAL300018082184	1	43	-1.0	-53.00	366.66	5.25	-47.75
COC1=CC=C(C(NCC2=CC(OC)=C(OC)C=C2Cl)C(=O)[O-])C=C1F	REAL300018082185	1	44	-1.0	-50.00	382.61	6.99	-43.01
COC1=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)SC=C1	REAL300018082186	0	37	-1.0	-52.06	330.87	5.60	-46.46
COC1=CC=C(C(NCC2=CC=CC3=C2OC(C)(C)C3)C(=O)[O-])C=C1F	REAL300018082193	1	47	-1.0	-55.97	388.00	8.43	-47.54
COC1=CC=C(C(NCC2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1F	REAL300018082194	0	42	-1.0	-55.44	360.46	7.06	-48.38
COC1=CC=C(C(NCC2=CC=NC=C2Br)C(=O)[O-])C=C1F	REAL300018082195	0	35	-1.0	-47.06	322.91	6.12	-40.94
COC1=CC=C(C(NCC2=CC=NC=C2Cl)C(=O)[O-])C=C1F	REAL300018082196	0	35	-1.0	-47.08	319.28	6.02	-41.06
COC1=CC=C(C(NCC2=CC(F)=CC(Br)=C2)C(=O)[O-])C=C1F	REAL300018082197	1	36	-1.0	-42.09	338.30	7.91	-34.18
COC1=CC=C(C(NCC2=NN(C)C(C)=C2)C(=O)[O-])C=C1F	REAL300018082198	0	39	-1.0	-54.84	332.02	5.37	-49.47
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=N1	REAL300018082200	1	40	-1.0	-49.17	345.10	5.86	-43.31
CCN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082202	1	39	-1.0	-54.18	328.73	7.46	-46.72
COC1=CC=C(C(NCC2=CN=C(C)N2C)C(=O)[O-])C=C1F	REAL300018082203	1	39	-1.0	-50.81	332.31	6.18	-44.63
COC1=CC=C(C(NCC2=CN=C3CCCN23)C(=O)[O-])C=C1F	REAL300018082206	1	40	-1.0	-51.73	336.85	6.87	-44.86
COC1=CC=C(C(NCC2=CC=C(F)C=N2)C(=O)[O-])C=C1F	REAL300018082208	0	35	-1.0	-49.29	311.05	5.45	-43.84
COC1=CC=C(C(NCC2=C(C)N=CS2)C(=O)[O-])C=C1F	REAL300018082209	0	35	-1.0	-44.67	315.04	4.93	-39.74
COC1=CC(F)=CC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082210	1	40	-1.0	-46.61	346.52	6.60	-40.01
COC1=CC=C(C(NCC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])C=C1F	REAL300018082212	1	46	-1.0	-47.33	383.79	7.21	-40.12
COC1=CC=C(C(NCC2=CC=C(C)C=C2Cl)C(=O)[O-])C=C1F	REAL300018082214	1	39	-1.0	-51.73	347.99	8.35	-43.38
COC1=CC=C(C(NCC2=CC=C([N+](=O)[O-])C(Cl)=C2)C(=O)[O-])C=C1F	REAL300018082215	1	38	-1.0	-48.42	351.51	8.31	-40.11
COC1=CC=C(C(NCC2=CN=C(C3=CC=C(C)C=C3)S2)C(=O)[O-])C=C1F	REAL300018082218	0	45	-1.0	-47.98	397.03	8.93	-39.05
COC1=CC=C(C(NCC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])C=C1F	REAL300018082220	1	41	-1.0	-54.04	364.48	8.12	-45.92
COC1=CC=C(C(NCC2=CC=C([N+](=O)[O-])C=C2Cl)C(=O)[O-])C=C1F	REAL300018082222	0	38	-1.0	-48.84	354.80	8.35	-40.49
COC1=CC=C(C(NCC2=CC=C(C3=C(F)C=CC=C3F)O2)C(=O)[O-])C=C1F	REAL300018082223	0	43	-1.0	-50.43	385.48	9.24	-41.19
COC1=CC=C(C(NCC2=CC=C(C3=CC=C(F)C=C3C)O2)C(=O)[O-])C=C1F	REAL300018082224	0	46	-1.0	-52.31	398.04	9.93	-42.38
CCC1=CC=C(C2=CC=C(CNC(C(=O)[O-])C3=CC=C(OC)C(F)=C3)O2)C=C1	REAL300018082225	0	49	-1.0	-52.09	413.86	10.53	-41.56
COCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)O1	REAL300018082233	0	40	-1.0	-48.89	347.06	5.21	-43.68
COC1=CC=C(C(NCC2=CC=C(S(N)(=O)=O)C=C2)C(=O)[O-])C=C1F	REAL300018082236	1	41	-1.0	-55.52	366.32	2.22	-53.30
COC1=CC=C(C(NCC2=CC=C(C)C=C2OC)C(=O)[O-])C=C1F	REAL300018082239	1	43	-1.0	-55.39	362.02	7.27	-48.12
COC1=CC=C(C(NCC2=CC(Cl)=CC(Cl)=C2N)C(=O)[O-])C=C1F	REAL300018082240	1	38	-1.0	-42.96	354.80	6.26	-36.70
COC1=CC=C(C(NCC2=C(C)N=C(C)O2)C(=O)[O-])C=C1F	REAL300018082242	0	38	-1.0	-46.40	328.65	3.37	-43.03
COCC1=CSC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082243	0	40	-1.0	-49.49	357.68	6.09	-43.40
CCCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)S1	REAL300018082244	0	42	-1.0	-50.97	367.24	8.73	-42.24
COC1=CC=C(C(NCC2=CC=C(C)C=N2)C(=O)[O-])C=C1F	REAL300018082245	1	38	-1.0	-50.81	327.15	6.02	-44.79
COC1=CC=C(C(NCC2=NC=CN2C(C)C)C(=O)[O-])C=C1F	REAL300018082246	0	42	-1.0	-57.94	353.00	7.08	-50.86
COC1=CC=C(C(NCC2=CC=CC([N+](=O)[O-])=C2C)C(=O)[O-])C=C1F	REAL300018082247	1	41	-1.0	-43.13	350.39	8.50	-34.63
COC1=CC=C(C(NCC2=NN(C3=CC=CC=C3)C=C2)C(=O)[O-])C=C1F	REAL300018082252	0	43	-1.0	-52.30	371.06	8.38	-43.92
COC1=CC=C(C(NCC2=CN=C(C(F)(F)F)S2)C(=O)[O-])C=C1F	REAL300018082253	0	35	-1.0	-40.87	336.66	5.63	-35.24
CCC1=NN(C)C=C1CNC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082254	1	42	-1.0	-52.50	356.80	6.39	-46.11
COC1=CC=C(C(NCC2=NN3CCCCC3=C2)C(=O)[O-])C=C1F	REAL300018082255	0	43	-1.0	-55.24	354.26	6.53	-48.71
COC1=NC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)S1	REAL300018082257	0	36	-1.0	-44.02	328.10	2.83	-41.19
COC1=CC=C(C(NCC2=NC=CN=C2C)C(=O)[O-])C=C1F	REAL300018082259	0	37	-1.0	-44.98	317.56	4.04	-40.94
COC1=CC=C(C(NCC2=CC3=C(C=N2)OCCO3)C(=O)[O-])C=C1F	REAL300018082261	0	41	-1.0	-54.17	351.35	4.66	-49.51
COC1=CC=C(C(NCC2=CN=C3C=CC(Cl)=CN23)C(=O)[O-])C=C1F	REAL300018082262	1	39	-1.0	-51.34	355.75	8.21	-43.13
COC1=CC=C(C(NCC2=CN=C3C(C)=CC=CN23)C(=O)[O-])C=C1F	REAL300018082264	1	42	-1.0	-47.76	359.03	8.22	-39.54
CCN1N=CN=C1CNC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082265	0	38	-1.0	-49.77	327.83	6.33	-43.44
COC1=CC=C(C(NCC2=CN=C(Cl)N2C)C(=O)[O-])C=C1F	REAL300018082266	1	36	-1.0	-41.78	327.08	6.05	-35.73
COC1=CC=C(C(NCC2=CN=C(Br)N2C)C(=O)[O-])C=C1F	REAL300018082267	1	36	-1.0	-41.97	331.37	6.08	-35.89
COC1=CC=C(C(NCC2=CN(C3=CC=C(F)C=C3)N=N2)C(=O)[O-])C=C1F	REAL300018082268	0	42	-1.0	-48.54	371.25	7.21	-41.33
COC1=CC=C(C(NCC2=CC(C(F)(F)F)=NN2)C(=O)[O-])C=C1F	REAL300018082269	1	36	-1.0	-40.42	331.65	4.57	-35.85
COC1=CC=C(C(NCC2=NC=C(C)N2C)C(=O)[O-])C=C1F	REAL300018082270	0	39	-1.0	-48.34	332.25	6.16	-42.18
CCOC1=CC=CC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=N1	REAL300018082273	1	42	-1.0	-49.10	360.96	4.90	-44.20
COC1=CC=C(C(NCC2=CN=C3C=CC=C(C)N23)C(=O)[O-])C=C1F	REAL300018082276	1	42	-1.0	-55.77	352.20	8.22	-47.55
COC1=CC=C(C(NCC2=C(C)N=NS2)C(=O)[O-])C=C1F	REAL300018082286	0	34	-1.0	-43.06	309.76	4.39	-38.67
COC1=CC=C(C(NCC2=NC=C(C)C(OC)=C2C)C(=O)[O-])C=C1F	REAL300018082288	0	45	-1.0	-52.33	373.25	6.01	-46.32
COC1=CC=C(C(NCC2=CC3=CC=CC=C3C=C2OC)C(=O)[O-])C=C1F	REAL300018082289	1	46	-1.0	-55.63	386.43	8.86	-46.77
COC1=CC=C(C(NCC2=CC=C(S(C)(=O)=O)S2)C(=O)[O-])C=C1F	REAL300018082291	0	39	-1.0	-52.49	363.69	3.91	-48.58
COC1=CC=C(C(NCC2=CC=CC(F)=C2N)C(=O)[O-])C=C1F	REAL300018082292	1	38	-1.0	-44.22	324.39	5.37	-38.85
COC1=CC=C(C(NCC2=CC3=CC(Cl)=CN=C3O2)C(=O)[O-])C=C1F	REAL300018082295	0	38	-1.0	-50.69	349.08	5.17	-45.52
COC1=CC=C(C(NCC2=NC(Cl)=CS2)C(=O)[O-])C=C1F	REAL300018082297	0	32	-1.0	-53.62	313.70	4.87	-48.75
COC1=NSC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082298	0	36	-1.0	-44.82	328.07	3.11	-41.71
COC1=CC=C(C(NCC2=NC=CC3=CC=CC=C32)C(=O)[O-])C=C1F	REAL300018082299	1	41	-1.0	-51.16	346.52	7.53	-43.63
COC1=CC=C(C(NCC2=C(C)N(C)N=C2)C(=O)[O-])C=C1F	REAL300018082300	1	39	-1.0	-49.04	332.46	5.52	-43.52
COC1=CC=C(C(NCC2=CC(OC)=C(OC)C=C2SC)C(=O)[O-])C=C1F	REAL300018082302	1	48	-1.0	-51.79	406.61	7.35	-44.44
COC1=CC=C(C(NCC2=CN=C(C3CC3)O2)C(=O)[O-])C=C1F	REAL300018082306	0	39	-1.0	-50.82	340.88	4.57	-46.25
COC1=CC=C(C(NCC2=NC3=CC=C(F)C=C3S2)C(=O)[O-])C=C1F	REAL300018082308	0	38	-1.0	-52.60	350.02	6.83	-45.77
CCOC1=CN=CC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082310	1	42	-1.0	-51.66	358.48	5.67	-45.99
CCOC1=CC(F)=CC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082311	1	43	-1.0	-45.12	368.51	7.49	-37.63
COC1=CC=C(C(NCC2=CC(C3CC3)=NN2C)C(=O)[O-])C=C1F	REAL300018082313	1	43	-1.0	-43.50	362.92	6.88	-36.62
COC1=CC=C(C(NCC2=CC=NN2CC2CC2)C(=O)[O-])C=C1F	REAL300018082319	1	43	-1.0	-45.77	365.72	7.26	-38.51
COC1=CC=C(C(NCC2=CC=C(S(N)(=O)=O)O2)C(=O)[O-])C=C1F	REAL300018082322	0	38	-1.0	-51.66	349.53	0.38	-51.28
COC1=CC=C(C(NCC2=CN=CC(OC)=C2C)C(=O)[O-])C=C1F	REAL300018082325	1	42	-1.0	-47.16	350.19	5.27	-41.89
CCC1=CNC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=N1	REAL300018082326	0	39	-1.0	-47.31	334.70	5.40	-41.91
COC1=CC=C(C(NCC2=CC3=CN=CC=C3O2)C(=O)[O-])C=C1F	REAL300018082328	0	38	-1.0	-53.71	334.76	6.06	-47.65
COC1=CC=C(C(NCC2=CC=C(C(F)(F)F)S2)C(=O)[O-])C=C1F	REAL300018082329	1	36	-1.0	-42.18	341.46	7.54	-34.64
COC1=CC=C(C(NCC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1F	REAL300018082332	1	36	-1.0	-45.44	341.38	7.34	-38.10
COC1=CC=C(C(NCC2=NC(C)=C(C)N2)C(=O)[O-])C=C1F	REAL300018082334	0	39	-1.0	-51.27	331.83	5.05	-46.22
COC1=CC=C(C(NCC2=CC=C(C(F)F)N=C2)C(=O)[O-])C=C1F	REAL300018082337	1	38	-1.0	-46.81	341.33	6.39	-40.42
COC1=CC=C(C(NCC2=NC=C(Br)S2)C(=O)[O-])C=C1F	REAL300018082339	0	32	-1.0	-50.32	318.42	5.18	-45.14
COC1=CC=C(C(NCC2=CN(C)N=C2C(F)F)C(=O)[O-])C=C1F	REAL300018082342	1	39	-1.0	-57.71	346.48	5.87	-51.84
COC1=CC=C(C(NC(C)C2=CC=C(C3=CC=CC=C3)C=N2)C(=O)[O-])C=C1F	REAL300018082344	0	48	-1.0	-47.82	392.72	9.54	-38.28
COC1=CC=C(C(NCC2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])C=C1F	REAL300018082349	1	41	-1.0	-57.52	366.40	2.20	-55.32
CCCN1N=CC=C1CNC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082350	1	42	-1.0	-45.77	354.31	6.47	-39.30
COC1=CC=C(C(NCC2=C3CCCN3N=C2)C(=O)[O-])C=C1F	REAL300018082352	1	40	-1.0	-55.99	338.62	5.88	-50.11
COC1=CC=C(C(NCC2=NN3CCCC3=C2)C(=O)[O-])C=C1F	REAL300018082353	0	40	-1.0	-56.66	336.20	5.71	-50.95
COC1=CC=C(C(NCC2=NC=C(C(F)(F)F)S2)C(=O)[O-])C=C1F	REAL300018082354	0	35	-1.0	-42.47	336.37	5.52	-36.95
COC1=CC=C(C(NCC2=CC3=CC=CN=C3O2)C(=O)[O-])C=C1F	REAL300018082357	0	38	-1.0	-55.44	332.32	4.67	-50.77
COC1=CC=C(C(NCC2=CC3=CC(F)=CC=C3O2)C(=O)[O-])C=C1F	REAL300018082365	0	39	-1.0	-51.85	346.44	7.87	-43.98
COC1=CC=C(C(NCC2=CC3=C(C=C2OC(F)F)OCO3)C(=O)[O-])C=C1F	REAL300018082367	1	43	-1.0	-47.75	374.97	5.46	-42.29
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C(Br)=C1	REAL300018082368	0	40	-1.0	-49.89	357.08	7.02	-42.87
COC1=CC=C(C(NCC2=CSC(CN(C)C)=N2)C(=O)[O-])C=C1F	REAL300018082370	0	43	-1.0	-46.17	373.30	3.87	-42.30
COC1=CC=C(N2C=C(CNC(C(=O)[O-])C3=CC=C(OC)C(F)=C3)C=N2)C=C1	REAL300018082380	1	47	-1.0	-49.46	400.24	7.82	-41.64
COC1=CC=C(C(NCC2=CC(C3=CC=CC=N3)=NN2)C(=O)[O-])C=C1F	REAL300018082384	1	42	-1.0	-48.97	366.94	5.43	-43.54
COC1=CC=C(C(NCC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)C(=O)[O-])C=C1F	REAL300018082393	0	49	-1.0	-63.56	402.74	8.91	-54.65
COC1=CC=C(C(NCC2=NC3=C(CC(C)CC3)S2)C(=O)[O-])C=C1F	REAL300018082394	0	45	-1.0	-54.94	381.26	7.67	-47.27
CCC1=CN=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)S1	REAL300018082395	0	38	-1.0	-53.81	340.13	6.03	-47.78
COC1=CC=C(C(NCC2=CC=C(F)N=C2)C(=O)[O-])C=C1F	REAL300018082396	1	35	-1.0	-44.01	312.02	5.36	-38.65
COC1=CC=C(C(NCC2=NOC(C3CCC3)=C2)C(=O)[O-])C=C1F	REAL300018082404	0	42	-1.0	-51.83	354.82	7.45	-44.38
COC1=CC=C(C(NCC2=NOC(C3(C)CC3)=C2)C(=O)[O-])C=C1F	REAL300018082405	0	42	-1.0	-55.74	358.42	7.43	-48.31
COC1=CC=C(C(NCC2=CN=C3CCCCCN23)C(=O)[O-])C=C1F	REAL300018082409	1	46	-1.0	-50.34	368.22	7.66	-42.68
COC1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=NO2)C(=O)[O-])C=C1F	REAL300018082411	0	42	-1.0	-48.20	366.90	8.47	-39.73
CCOC1=CC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=CC=N1	REAL300018082417	1	42	-1.0	-52.96	361.09	4.91	-48.05
COC1=CC=C(C(NCC2=CN=C(C3CCOCC3)O2)C(=O)[O-])C=C1F	REAL300018082421	0	46	-1.0	-49.94	384.22	3.77	-46.17
COC1=CC=C(C(NCC2=NOC(C3CC3)=C2)C(=O)[O-])C=C1F	REAL300018082422	0	39	-1.0	-55.94	339.41	7.01	-48.93
COC1=CC=C(C(NCC2=C(C)C(C(F)(F)F)=NN2)C(=O)[O-])C=C1F	REAL300018082426	1	39	-1.0	-45.33	350.66	5.20	-40.13
COC1=CC=C(C(NCC2=CC=C(C)C(O)=C2)C(=O)[O-])C=C1F	REAL300018082428	1	40	-1.0	-49.53	343.26	5.16	-44.37
COC1=CC=C(C(NCC2=NC(C3CC3)=CS2)C(=O)[O-])C=C1F	REAL300018082429	0	39	-1.0	-45.86	345.31	6.41	-39.45
COC1=CC=C(C(NCC2=CN(CC3CC3)N=N2)C(=O)[O-])C=C1F	REAL300018082430	0	42	-1.0	-57.18	360.27	6.10	-51.08
COC1=CC=C(C(NCC2=NC3=C(CCCC3)N2)C(=O)[O-])C=C1F	REAL300018082432	0	43	-1.0	-51.67	353.69	6.27	-45.40
CCN1C=CC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=N1	REAL300018082439	0	39	-1.0	-52.98	335.15	5.78	-47.20
COC1=CC=C(C(NCC2=CC=C(CC3CC3)S2)C(=O)[O-])C=C1F	REAL300018082440	0	43	-1.0	-46.99	374.86	9.45	-37.54
COC1=CC=C(C(NCC2=CC=C(OC(F)(F)F)C=C2F)C(=O)[O-])C=C1F	REAL300018082442	1	40	-1.0	-51.77	363.74	7.08	-44.69
COC1=CC=C(C(NCC2=C(C)C3=CC(F)=CC=C3O2)C(=O)[O-])C=C1F	REAL300018082447	0	42	-1.0	-48.32	365.28	8.46	-39.86
COC1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=NN2C)C(=O)[O-])C=C1F	REAL300018082449	1	46	-1.0	-52.83	392.26	8.38	-44.45
CCCN1C=CC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=N1	REAL300018082450	0	42	-1.0	-52.85	356.50	6.57	-46.28
COC1=CC=C(C(NCC2=NN(C(C)C)C=C2)C(=O)[O-])C=C1F	REAL300018082451	0	42	-1.0	-54.87	353.83	6.31	-48.56
COC1=CC=C(C(NCC2=CN=CC(C(C)(C)C)=C2)C(=O)[O-])C=C1F	REAL300018082452	1	47	-1.0	-49.84	383.58	7.75	-42.09
COC1=CC=C(C(NCC2=NN(CC(F)(F)F)C=C2)C(=O)[O-])C=C1F	REAL300018082453	0	39	-1.0	-55.63	353.02	6.26	-49.37
COC1=CC=C(C(NCC2=NC3=C(CCCC3)N2C)C(=O)[O-])C=C1F	REAL300018082454	0	46	-1.0	-60.36	374.66	7.99	-52.37
COC1=CC=C(C(NCC2=CC=CC(C)=N2)C(=O)[O-])C=C1F	REAL300018082455	1	38	-1.0	-56.93	327.40	6.09	-50.84
COC1=CC=C(C(NCC2=CC3=CC=CC=C3C=N2)C(=O)[O-])C=C1F	REAL300018082456	0	41	-1.0	-57.64	351.99	7.71	-49.93
COC1=CC=C(C(NCC2=CC=C(C)C(OC)=N2)C(=O)[O-])C=C1F	REAL300018082457	1	42	-1.0	-57.05	359.45	4.66	-52.39
COC1=CC=C(C(NCC2=CC=CC(C(F)F)=C2F)C(=O)[O-])C=C1F	REAL300018082458	1	39	-1.0	-60.07	349.34	8.13	-51.94
CCOC1=CC=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082460	1	43	-1.0	-47.68	377.75	7.97	-39.71
COC1=CC=C(C(NCC2=CC3=C(CCCC3)O2)C(=O)[O-])C=C1F	REAL300018082461	0	43	-1.0	-49.91	353.94	8.03	-41.88
CCC(C)N1N=CC=C1CNC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082462	1	45	-1.0	-46.60	372.07	6.97	-39.63
COC1=CC=C(C(NCC2=CN(C3CCCCC3)N=C2)C(=O)[O-])C=C1F	REAL300018082463	1	49	-1.0	-46.45	394.32	8.24	-38.21
COC1=CC=C(C(NCC2=CC=CC(C(C)(C)C)=C2OC)C(=O)[O-])C=C1F	REAL300018082465	1	52	-1.0	-48.66	403.95	8.94	-39.72
COC1=CC=C(C(NCC2=NC(Br)=CN2C)C(=O)[O-])C=C1F	REAL300018082466	0	36	-1.0	-45.71	332.20	6.15	-39.56
COC1=CC(C)=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=N1	REAL300018082467	1	42	-1.0	-44.94	351.17	4.44	-40.50
COC1=CC=C(C(NCC2=NC3=CC=CC=C3S2)C(=O)[O-])C=C1F	REAL300018082468	0	38	-1.0	-56.99	343.60	6.76	-50.23
CCCN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082472	1	42	-1.0	-53.87	350.27	8.20	-45.67
CCC1=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=NN1CC	REAL300018082476	1	45	-1.0	-48.62	376.07	7.24	-41.38
COC1=CC=C(C(NCC2=C(C)OC=C2C(F)(F)F)C(=O)[O-])C=C1F	REAL300018082477	1	39	-1.0	-44.57	351.29	6.99	-37.58
COC1=CC=C(C(NCC2=CC=C(C3=CSC=C3)N=C2)C(=O)[O-])C=C1F	REAL300018082479	1	42	-1.0	-49.03	373.54	8.01	-41.02
COC1=CC=C(C(NCC2=CC(C3=CC=NC=C3)=NN2)C(=O)[O-])C=C1F	REAL300018082489	1	42	-1.0	-49.24	366.56	5.48	-43.76
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)N=C1	REAL300018082491	1	41	-1.0	-52.61	348.63	6.79	-45.82
COC1=CC=C(C(NCC2=CC=C(C(F)(F)F)C=C2F)C(=O)[O-])C=C1F	REAL300018082495	1	39	-1.0	-52.95	356.48	8.30	-44.65
COC1=CC=C(C(NCC2=CC=C(OC(C)C)C(F)=C2)C(=O)[O-])C=C1F	REAL300018082496	1	46	-1.0	-51.47	387.44	8.23	-43.24
COC1=CC=C(C(NCC2=CC(C)=NN2C2CCCC2)C(=O)[O-])C=C1F	REAL300018082497	0	49	-1.0	-44.37	398.83	8.27	-36.10
COC1=CC=C(C(NCC2=CC=NN2CC(F)F)C(=O)[O-])C=C1F	REAL300018082498	1	39	-1.0	-45.37	346.10	5.96	-39.41
COC1=CC=C(C(NCC2=CN(C3=CC=CC(F)=C3)N=C2)C(=O)[O-])C=C1F	REAL300018082500	1	43	-1.0	-51.07	376.08	8.57	-42.50
COC1=CC=C(C(NCC2=NN(C3CCC3)C=C2)C(=O)[O-])C=C1F	REAL300018082501	0	43	-1.0	-58.21	356.95	6.86	-51.35
COC1=CC=C(C(NCC2=NN(CC(F)F)C=C2)C(=O)[O-])C=C1F	REAL300018082502	0	39	-1.0	-61.35	347.09	6.18	-55.17
COC1=CC=C(C(NCC2=NN(C3CC3(F)F)C=C2)C(=O)[O-])C=C1F	REAL300018082503	0	40	-1.0	-59.43	355.59	6.64	-52.79
COC1=CC=C(C(NCC2=NC(C)=CN2C)C(=O)[O-])C=C1F	REAL300018082504	0	39	-1.0	-58.82	333.51	6.27	-52.55
COC1=CC=C(C(NCC2=NN(C3CCCC3)C=C2)C(=O)[O-])C=C1F	REAL300018082506	0	46	-1.0	-54.18	375.43	7.55	-46.63
COC1=CC=C2SC(CNC(C(=O)[O-])C3=CC=C(OC)C(F)=C3)=NC2=C1	REAL300018082510	0	42	-1.0	-48.81	370.86	5.93	-42.88
COC1=CC=C(C(NCC2=NN(C)C(C3=CC=CO3)=C2)C(=O)[O-])C=C1F	REAL300018082511	0	43	-1.0	-55.88	373.54	6.63	-49.25
COC1=CC=C(C(NCC2=CN(C3CCC3)N=C2C)C(=O)[O-])C=C1F	REAL300018082513	1	46	-1.0	-49.73	378.75	7.56	-42.17
COC1=CC=C(C(NCC2=CC=C(C3=CC=CC=N3)N=C2)C(=O)[O-])C=C1F	REAL300018082515	1	44	-1.0	-49.64	379.94	7.54	-42.10
COC1=CC=C(C(NCC2=CC(C3=CC=CO3)=NN2C)C(=O)[O-])C=C1F	REAL300018082516	0	43	-1.0	-45.24	374.05	6.45	-38.79
COC1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=CC=N2)C(=O)[O-])C=C1F	REAL300018082519	0	45	-1.0	-50.77	380.19	8.82	-41.95
C=CCN1C=C(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=N1	REAL300018082527	1	40	-1.0	-52.93	348.00	6.50	-46.43
COC1=CC=C(C(NCC2=NC=C(CC3=CC=CC=C3)N2C)C(=O)[O-])C=C1F	REAL300018082531	0	49	-1.0	-47.88	412.28	9.81	-38.07
COC1=CC=C(C(NCC2=CN(C(C)(C)C)N=C2C(C)C)C(=O)[O-])C=C1F	REAL300018082536	1	54	-1.0	-46.51	435.93	8.83	-37.68
COC1=CC=C(C(NCC2=CC=C3NC=CC3=C2OC)C(=O)[O-])C=C1F	REAL300018082537	1	44	-1.0	-55.90	369.02	7.33	-48.57
CCCN1N=CC(CNC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1C	REAL300018082539	1	45	-1.0	-48.55	376.62	7.17	-41.38
COC1=CC=C(C(NCC2=CN=C(N3C=CC=N3)C(C)=C2)C(=O)[O-])C=C1F	REAL300018082540	1	45	-1.0	-48.56	382.88	8.52	-40.04
CCCN1N=C(C)C=C1CNC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082542	1	45	-1.0	-50.71	373.34	7.12	-43.59
COC1=CC=C(C(NCC2=CN=C(C(C)(C)C)O2)C(=O)[O-])C=C1F	REAL300018082543	0	44	-1.0	-49.47	371.13	4.81	-44.66
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CC(Cl)=CC2=C1OCC2	REAL300018082544	1	43	-1.0	-48.06	377.73	10.66	-37.40
CC(C)C1=CN=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082548	0	43	-1.0	-48.45	370.11	8.64	-39.81
CC1=CN2C=C(CN(CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)N=C2C=C1	REAL300018082552	1	44	-1.0	-58.30	370.90	10.54	-47.76
CN1N=NC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082553	0	36	-1.0	-45.26	314.61	4.88	-40.38
CN(C)CC1=CN=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082555	0	45	-1.0	-48.40	383.09	6.06	-42.34
COCC1=CC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300018082556	0	41	-1.0	-42.78	350.85	6.21	-36.57
CC1=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N(C)N=C1	REAL300018082558	1	41	-1.0	-43.95	341.62	7.72	-36.23
CC(C)N1C=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N=N1	REAL300018082559	0	43	-1.0	-42.41	357.31	6.84	-35.57
CN(C)CC1=CC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300018082560	0	45	-1.0	-42.38	373.44	6.02	-36.36
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CN=CC=N1	REAL300018082561	1	36	-1.0	-48.09	311.78	5.78	-42.31
COC1=CC=C(F)C=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082563	1	42	-1.0	-47.61	357.49	8.59	-39.02
O=C([O-])CN(CC1=CN(CC(F)F)N=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082564	1	41	-1.0	-50.26	358.29	8.12	-42.14
CC1=NOC=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082566	1	37	-1.0	-40.85	318.95	7.18	-33.67
CC1=CN=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082568	0	37	-1.0	-48.74	328.25	7.22	-41.52
O=C([O-])CN(CC1=CC=NN1C1CCCC1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082570	1	48	-1.0	-45.07	386.39	9.51	-35.56
CCN1N=CC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082571	0	40	-1.0	-43.58	338.95	6.00	-37.58
CC1=CC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N=N1	REAL300018082573	1	39	-1.0	-42.63	331.91	6.81	-35.82
O=C([O-])CN(CC1=CN=NN1C1=CC=CC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082574	0	44	-1.0	-46.03	371.07	10.09	-35.94
CN1C=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082583	1	38	-1.0	-43.36	324.69	6.95	-36.41
CC1=NN(C)C(Cl)=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082584	0	41	-1.0	-42.39	352.33	7.52	-34.87
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC2=C1OCO2	REAL300018082587	1	41	-1.0	-43.91	348.67	7.83	-36.08
O=C([O-])CN(CC1=CSN=N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082588	0	33	-1.0	-39.35	298.68	5.40	-33.95
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CC(Cl)=CC=C1Cl	REAL300018082593	1	38	-1.0	-42.24	353.79	10.12	-32.12
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CC(Cl)=CC=C1F	REAL300018082594	1	38	-1.0	-42.58	344.97	9.72	-32.86
CC1=NN(C)C=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082597	1	41	-1.0	-43.94	346.18	7.50	-36.44
CCN1N=CC=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082600	1	41	-1.0	-44.91	342.33	7.55	-37.36
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=NC=CC=C1C(F)(F)F	REAL300018082601	1	40	-1.0	-47.50	349.73	8.90	-38.60
O=C([O-])CN(CC1=CN=C2C=NC=CN12)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082606	1	40	-1.0	-45.66	344.20	7.79	-37.87
CC1=CN2C(CN(CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CN=C2C=C1	REAL300018082607	1	44	-1.0	-46.37	362.51	9.99	-36.38
CC1=NN2C(=NC(C)=C2CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082610	1	43	-1.0	-52.62	377.17	8.40	-44.22
CCN1N=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C2=CC=CC=C21	REAL300018082615	1	47	-1.0	-47.80	391.49	9.85	-37.95
O=C([O-])CN(CC1=NC=C(Cl)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082616	0	34	-1.0	-45.01	323.40	7.05	-37.96
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(Cl)C=C1F	REAL300018082633	1	38	-1.0	-39.11	344.94	9.74	-29.37
O=C([O-])CN(CC1=CC=C(Br)O1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082635	1	35	-1.0	-45.78	325.57	8.13	-37.65
O=C([O-])CN(CC1=COC=N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082636	0	34	-1.0	-42.45	296.73	3.65	-38.80
COC1=CC=CC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082637	1	41	-1.0	-42.49	347.53	5.76	-36.73
CC(C)(C)N1C=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N=N1	REAL300018082638	0	46	-1.0	-42.87	377.00	7.41	-35.46
O=C([O-])CN(CC1=NC=CN1C1=CC=CC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082642	0	45	-1.0	-54.33	382.94	11.20	-43.13
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(Cl)=C1[O-]	REAL300018082645	0	39	-1.0	-38.99	342.59	9.92	-29.07
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(Cl)=C1[O-]	REAL300018082645	1	39	-1.0	-39.41	344.72	9.86	-29.55
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC(Cl)=CC(F)=C1[O-]	REAL300018082646	0	39	-1.0	-39.79	350.61	9.95	-29.84
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC(Cl)=CC(F)=C1[O-]	REAL300018082646	1	39	-1.0	-55.21	357.98	10.30	-44.91
O=C([O-])CN(CC1=NN(C(F)F)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082647	0	38	-1.0	-47.48	338.53	7.22	-40.26
CC(C)CN1C=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082653	1	47	-1.0	-42.62	383.29	9.37	-33.25
CC(O)C1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082658	1	41	-1.0	-42.65	360.64	4.62	-38.03
C=CN1C=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082659	1	39	-1.0	-43.16	336.71	8.14	-35.02
O=C([O-])CN(CC1=C(Cl)C=CS1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082662	1	35	-1.0	-44.59	320.90	8.51	-36.08
O=C([O-])CN(CC1=CN=C(C2=CC=CO2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082664	1	41	-1.0	-45.63	369.70	8.25	-37.38
CC(C)(C)C1=CN=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082666	0	46	-1.0	-48.70	387.88	9.08	-39.62
CC1=CNN=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082670	0	38	-1.0	-44.78	313.90	5.88	-38.90
CC1=NN(C(C)C)C=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082671	1	47	-1.0	-44.34	386.38	8.89	-35.45
CN1C(Cl)=CN=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082672	0	38	-1.0	-37.75	330.51	7.61	-30.14
COC1=CC=CC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1F	REAL300018082673	1	42	-1.0	-56.37	360.20	9.00	-47.37
CN1C=CN=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082676	0	38	-1.0	-54.32	320.33	7.51	-46.81
O=C([O-])CN(CC1=NNC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082677	0	35	-1.0	-51.33	302.46	5.69	-45.64
CCN1C=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082680	1	41	-1.0	-43.06	346.43	7.79	-35.27
CN1C=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N=N1	REAL300018082681	0	37	-1.0	-42.33	317.05	5.48	-36.85
CN(C)C1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082683	1	44	-1.0	-45.36	367.26	9.69	-35.67
CC(C)N1C=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082687	1	44	-1.0	-48.42	365.11	8.32	-40.10
CC(C)N1N=CC=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082689	1	44	-1.0	-44.97	363.28	8.14	-36.83
COC1=NC=CC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082690	1	40	-1.0	-41.29	341.87	3.63	-37.66
CN1N=NC=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082691	0	37	-1.0	-45.96	314.98	5.34	-40.62
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CN=C(C2CC2)N=C1	REAL300018082693	1	43	-1.0	-44.19	362.43	8.74	-35.45
COCCN1C=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082694	1	45	-1.0	-47.50	380.11	6.84	-40.66
CCN1N=C(C)C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082695	0	43	-1.0	-42.21	354.63	6.48	-35.73
CCN1N=NC(C)=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082696	0	43	-1.0	-43.74	352.11	6.65	-37.09
CSC1=CC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082700	1	39	-1.0	-45.37	348.36	8.61	-36.76
CC(C)(C)C1=CSC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082702	0	46	-1.0	-49.70	387.13	9.00	-40.70
O=C([O-])CN(CC1=CN=C(C2CCCC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082703	1	47	-1.0	-45.29	394.00	9.76	-35.53
O=C([O-])CN(CC1=CN=C(C2CC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082704	1	41	-1.0	-45.41	359.88	8.78	-36.63
CC(C)CC1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082705	1	46	-1.0	-44.80	389.72	9.33	-35.47
CC(C)C1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082706	1	43	-1.0	-43.13	370.72	8.51	-34.62
COCCC1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082707	1	44	-1.0	-42.63	383.58	6.98	-35.65
O=C([O-])CN(CC1=CN(CC(F)(F)F)N=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082708	1	41	-1.0	-43.22	364.30	8.29	-34.93
O=C([O-])CN(CC1=NC2=C(CCC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082709	0	41	-1.0	-50.93	352.18	8.44	-42.49
O=C([O-])CN(CC1=CN=C(C2CCC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082717	1	44	-1.0	-45.16	376.34	9.26	-35.90
CC(C)CN1N=CC=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082721	1	47	-1.0	-43.96	384.20	9.10	-34.86
O=C([O-])CN(CC1=CN(CC2CCCO2)N=N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082722	0	48	-1.0	-45.27	395.25	6.54	-38.73
CCCN1C=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N=N1	REAL300018082723	0	43	-1.0	-41.64	359.97	7.07	-34.57
O=C([O-])CN(CC1=CC(C2CC2)=NO1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082725	1	41	-1.0	-47.65	350.22	8.91	-38.74
CC(C)N1N=CN=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082726	0	43	-1.0	-49.62	358.52	8.97	-40.65
CN1N=C(C(F)(F)F)C=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082728	0	41	-1.0	-44.36	362.13	7.56	-36.80
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=C1Cl	REAL300018082747	1	38	-1.0	-42.80	335.94	9.74	-33.06
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(Cl)C=C1Cl	REAL300018082755	1	38	-1.0	-38.95	353.76	10.11	-28.84
CN1N=C2CCCCC2=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082759	1	48	-1.0	-43.22	378.90	8.96	-34.26
O=C([O-])CN(CC1=C(C2CC2)N=CS1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082761	1	41	-1.0	-44.06	348.08	8.27	-35.79
COCCCN1N=CC=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082762	1	48	-1.0	-46.15	397.50	7.37	-38.78
CSCC1=CN=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082763	0	41	-1.0	-48.89	372.96	8.45	-40.44
CN1N=CC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082764	0	37	-1.0	-43.56	317.14	5.16	-38.40
O=C([O-])CN(CC1=C(C(F)(F)F)SC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082768	1	38	-1.0	-40.40	344.94	10.17	-30.23
O=C([O-])CN(CC1=CC=NN1C1CCOCC1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082770	1	49	-1.0	-44.56	398.21	7.78	-36.78
O=C([O-])CN(CC1=CC=NN1CC1CCC1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082773	1	48	-1.0	-41.25	384.73	9.43	-31.82
O=C([O-])CN(CC1=CC=C(Cl)O1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082803	1	35	-1.0	-45.88	320.92	8.02	-37.86
O=C([O-])CN(CC1=CN(C2CCC2)N=N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082804	0	44	-1.0	-56.28	364.81	7.79	-48.49
CC(C)(C)N1N=NC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082805	0	45	-1.0	-46.55	376.37	6.93	-39.62
C=CCCN1C=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N=N1	REAL300018082806	0	44	-1.0	-40.92	373.90	7.65	-33.27
CN1N=C2CCSCC2=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082810	1	46	-1.0	-46.46	380.91	8.66	-37.80
CC1=NC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082823	0	37	-1.0	-49.78	328.90	7.19	-42.59
O=C([O-])CN(CC1=NN(C2=CC=CC=C2)N=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082825	0	44	-1.0	-45.20	374.70	8.74	-36.46
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=NC2=CC=CC=C2N=C1	REAL300018082828	1	42	-1.0	-52.59	358.33	7.83	-44.76
O=C([O-])CN(CC1=CN(C2=CC=CC=C2)N=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082830	1	45	-1.0	-48.65	380.95	10.33	-38.32
COC1=CC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(Cl)=C1	REAL300018082833	1	42	-1.0	-42.24	366.52	8.90	-33.34
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(F)C=C1Cl	REAL300018082843	1	38	-1.0	-38.84	343.44	9.67	-29.17
O=C([O-])CN(CC1=CSC([N+](=O)[O-])=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082849	0	37	-1.0	-48.74	341.67	8.95	-39.79
O=C([O-])CN(CC1=NC=CS1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082855	0	34	-1.0	-48.23	306.33	6.43	-41.80
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CN=CN=C1	REAL300018082856	1	36	-1.0	-42.71	310.03	7.08	-35.63
CN1C2=CC=CC=C2N=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082860	0	44	-1.0	-55.46	368.26	9.48	-45.98
O=C([O-])CN(CC1=CN=CS1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082863	1	34	-1.0	-44.62	306.65	6.40	-38.22
CN1C=NC=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082865	1	38	-1.0	-40.23	312.73	8.15	-32.08
CC1=NN(C)C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082867	1	41	-1.0	-45.60	342.70	7.16	-38.44
O=C([O-])CN(CC1=CSC=N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082868	0	34	-1.0	-43.20	304.59	6.04	-37.16
CC(C)(C)N1C=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082869	1	47	-1.0	-44.24	384.64	8.96	-35.28
CN1N=CC=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082870	1	38	-1.0	-44.06	323.18	6.73	-37.33
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CN=C(N2CCCC2)N=C1	REAL300018082871	1	48	-1.0	-45.33	390.60	8.99	-36.34
COC1=NC=CC=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082874	1	41	-1.0	-43.65	348.66	5.94	-37.71
CC1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082876	1	37	-1.0	-45.22	328.58	7.11	-38.11
CC1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082882	1	39	-1.0	-43.54	333.08	7.08	-36.46
CCC1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082883	1	40	-1.0	-42.96	349.94	7.91	-35.05
O=C([O-])CN(CC1=CN=C2C=CC=CN12)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082884	1	41	-1.0	-45.52	341.20	9.34	-36.18
CN(C)C1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082885	1	42	-1.0	-45.33	362.62	8.24	-37.09
CC(C)C1=NC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082887	0	43	-1.0	-50.75	370.05	8.46	-42.29
O=C([O-])CN(CC1=CSC(C2CC2)=N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082888	0	41	-1.0	-44.01	356.42	8.26	-35.75
CCC1=NC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082889	0	40	-1.0	-50.27	350.33	7.89	-42.38
CC(C)(C)C1=NC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082890	0	46	-1.0	-51.19	389.01	8.96	-42.23
O=C([O-])CN(CC1=CN2C=C(Cl)C=CC2=N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082892	1	41	-1.0	-54.00	366.23	10.39	-43.61
CC(C)(C)C1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082893	1	46	-1.0	-45.50	388.72	8.93	-36.57
O=C([O-])CN(CC1=CC(C2=CC=CC=C2)=NN1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082897	1	45	-1.0	-44.07	381.17	9.18	-34.89
CCN1C=CN=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082898	0	41	-1.0	-40.87	335.62	8.11	-32.76
O=C([O-])CN(CC1=CN(C2=CC=CC=C2)N=N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082899	0	44	-1.0	-43.98	373.15	8.80	-35.18
CN1N=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C2=CC=CC=C21	REAL300018082900	1	44	-1.0	-52.48	372.85	9.18	-43.30
CN1C=CC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082901	0	38	-1.0	-47.11	323.08	6.71	-40.40
O=C([O-])CN(CC1=NC=CN1CC(F)(F)F)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082904	0	41	-1.0	-40.19	351.41	8.34	-31.85
CC1=NSC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082906	1	37	-1.0	-40.54	328.49	7.62	-32.92
O=C([O-])CN(CC1=COC(C2=CC=CC=C2)=N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082907	0	44	-1.0	-43.90	376.84	7.48	-36.42
CC1=CSC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082908	0	37	-1.0	-48.72	328.14	7.01	-41.71
CN(C)C1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N1C	REAL300018082910	1	46	-1.0	-41.16	370.90	8.02	-33.14
O=C([O-])CN(CC1=NC(C2=CC=CC=C2)=CN1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082911	0	45	-1.0	-57.47	381.46	9.57	-47.90
COC1=CC2=C(C=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)OCO2	REAL300018082917	1	45	-1.0	-48.11	377.10	7.16	-40.95
O=C([O-])CN(CC1=NC2=C(CCCC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082925	0	44	-1.0	-50.19	370.07	9.02	-41.17
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=NC=C1Cl	REAL300018082926	0	37	-1.0	-39.72	332.25	7.84	-31.88
CC1=CC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=NN1C	REAL300018082927	0	41	-1.0	-53.37	344.89	7.46	-45.91
CCC1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082928	1	42	-1.0	-43.47	354.41	7.69	-35.78
CC1=CC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300018082930	0	37	-1.0	-42.59	317.20	7.15	-35.44
CCN1C=NC=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082931	1	41	-1.0	-48.92	345.06	9.23	-39.69
CC1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N1C	REAL300018082932	1	41	-1.0	-40.84	332.24	7.94	-32.90
O=C([O-])CN(CC1=CN=C2CCCN12)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082934	1	42	-1.0	-52.45	346.22	8.56	-43.89
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(F)C=N1	REAL300018082935	1	37	-1.0	-48.63	323.41	7.71	-40.92
CC1=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)SC=N1	REAL300018082936	1	37	-1.0	-43.25	326.17	6.91	-36.34
CC(C)(C)C1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082938	1	48	-1.0	-44.05	393.27	9.05	-35.00
CC1=NOC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082939	1	37	-1.0	-39.64	318.81	7.36	-32.28
CC1=CC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(Cl)=C1	REAL300018082941	1	41	-1.0	-42.59	358.45	10.27	-32.32
O=C([O-])CN(CC1=NOC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082943	0	34	-1.0	-42.62	295.26	6.33	-36.29
COCC1=CC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082947	1	42	-1.0	-44.20	358.19	7.20	-37.00
CC1=CN=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082950	0	37	-1.0	-48.88	318.16	4.99	-43.89
CC1=CNC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082951	0	38	-1.0	-52.62	323.90	6.59	-46.03
CC1=NC(C)=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082954	1	40	-1.0	-47.14	341.19	5.42	-41.72
O=C([O-])CN(CC1=CC=NS1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082958	1	34	-1.0	-40.20	306.65	7.00	-33.20
CC(C)N1C=CN=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082959	0	44	-1.0	-42.54	364.69	9.44	-33.10
O=C([O-])CN(CC1=NN(C2=CC=CC=C2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082964	0	45	-1.0	-46.94	379.10	10.12	-36.82
O=C([O-])CN(CC1=CN=C(C(F)(F)F)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082965	0	37	-1.0	-40.39	347.95	7.56	-32.83
CCC1=NN(C)C=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082966	1	44	-1.0	-46.96	370.08	8.68	-38.28
O=C([O-])CN(CC1=NN2CCCCC2=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082967	0	45	-1.0	-54.09	367.15	8.62	-45.47
COC1=NC=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082969	0	38	-1.0	-43.17	339.26	4.82	-38.35
CC1=NC=CN=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082970	1	39	-1.0	-48.99	329.51	6.25	-42.74
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)CC1=CC2=C(C=N1)OCCO2	REAL300018082971	1	43	-1.0	-47.39	359.16	6.34	-41.05
O=C([O-])CN(CC1=CN=C2C=CC(Cl)=CN12)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082972	1	41	-1.0	-44.81	358.01	9.85	-34.96
CC1=CC=CN2C(CN(CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CN=C12	REAL300018082973	1	44	-1.0	-45.86	362.81	9.94	-35.92
CCN1N=CN=C1CN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082974	0	40	-1.0	-48.89	340.03	8.35	-40.54
CN1C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CN=C1Cl	REAL300018082975	1	38	-1.0	-45.71	336.47	7.84	-37.87
O=C([O-])CN(CC1=CC(C(F)(F)F)=NN1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082976	0	38	-1.0	-38.40	342.85	6.59	-31.81
CC1=CN=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N1C	REAL300018082977	0	41	-1.0	-41.28	333.86	7.70	-33.58
CCOC1=CC=CC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082980	1	44	-1.0	-51.32	371.05	7.22	-44.10
CC1=CC=CC2=NC=C(CN(CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)N21	REAL300018082983	1	44	-1.0	-51.53	368.72	10.73	-40.80
CC1=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)SN=N1	REAL300018082988	0	36	-1.0	-40.60	312.41	6.05	-34.55
O=C([O-])CN(CC1=NC(Cl)=CS1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082995	0	34	-1.0	-49.51	322.51	6.88	-42.63
COC1=NSC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082996	0	38	-1.0	-42.50	339.25	5.11	-37.39
CC1=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=NN1C	REAL300018082998	1	41	-1.0	-49.34	343.54	7.37	-41.97
O=C([O-])CN(CC1=CN=C(C2CC2)O1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082999	1	41	-1.0	-43.91	350.62	6.46	-37.45
O=C([O-])CN(CC1=NC2=CC=C(F)C=C2S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018083000	1	40	-1.0	-47.16	359.59	8.81	-38.35
O=C([O-])C1=CSC(C2=CC=CC(CNCC3=CSC([N+](=O)[O-])=C3)=C2)=N1	REAL300018087223	0	37	-1.0	-59.88	363.83	8.07	-51.81
COC1=CC=C(CNCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1[N+](=O)[O-]	REAL300018087227	1	44	-1.0	-66.21	399.30	9.00	-57.21
O=C([O-])C1=CSC(C2=CC=CC(CNCC3=NC=CS3)=C2)=N1	REAL300018087231	0	34	-1.0	-57.70	328.56	5.41	-52.29
O=C([O-])C1=CSC(C2=CC=CC(CNCC3=CN=CN=C3)=C2)=N1	REAL300018087233	1	36	-1.0	-57.97	333.41	6.28	-51.69
CN1C2=CC=CC=C2N=C1CNCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087243	1	44	-1.0	-64.19	390.19	8.62	-55.57
O=C([O-])C1=CSC(C2=CC=CC(CNCC3=CN=CS3)=C2)=N1	REAL300018087246	1	34	-1.0	-57.16	328.53	5.51	-51.65
CN1C=NC=C1CNCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087248	1	38	-1.0	-60.88	343.92	7.40	-53.48
CC1=NN(C)C(CNCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087250	1	41	-1.0	-60.02	366.34	6.42	-53.60
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CC(NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=CC=N1	REAL300018087844	1	41	-1.0	-63.90	350.22	7.83	-56.07
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CC(O)C1=NC=C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018087899	1	42	-1.0	-62.10	376.45	4.11	-57.99
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CC(C)(C)C1=CN=C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018087910	0	47	-1.0	-65.66	403.92	8.50	-57.16
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CC(C)OC1=CC=C(F)C=C1CNCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088610	1	49	-1.0	-62.54	412.19	9.67	-52.87
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NC4=CC=C(F)C=C4S3)=C2)C=C1	REAL300018088612	1	41	-1.0	-65.65	375.66	8.22	-57.43
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CC(F)=CC=C3OC(F)F)=C2)C=C1	REAL300018088613	1	43	-1.0	-61.35	382.17	8.39	-52.96
CN1N=C(C2CC2)C=C1CNCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088618	1	46	-1.0	-62.18	389.91	8.36	-53.82
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CC=NN3CC3CC3)=C2)C=C1	REAL300018088625	1	46	-1.0	-61.32	391.62	8.71	-52.61
CN1N=CN=C1CNCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088628	0	38	-1.0	-60.34	333.73	6.98	-53.36
NS(=O)(=O)C1=CC=C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300018088629	0	41	-1.0	-65.63	374.94	1.84	-63.79
CCC1=CNC(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088634	0	42	-1.0	-60.18	360.35	6.79	-53.39
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CSC(C(F)(F)F)=C3)=C2)C=C1	REAL300018088640	1	39	-1.0	-62.99	368.15	8.85	-54.14
CC1=C(C)NC(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088642	0	42	-1.0	-60.53	358.67	6.58	-53.95
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NC=C(Br)S3)=C2)C=C1	REAL300018088648	0	35	-1.0	-64.10	344.07	6.58	-57.52
CN1C=C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C(F)F)=N1	REAL300018088651	1	42	-1.0	-61.99	369.78	7.38	-54.61
CC(NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018088653	1	51	-1.0	-65.67	425.43	11.22	-54.45
NS(=O)(=O)C1=CC=CC(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088658	1	44	-1.0	-66.59	391.70	3.66	-62.93
CCCN1N=CC=C1CNCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088659	1	45	-1.0	-59.76	376.75	7.99	-51.77
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NN4CCCC4=C3)=C2)C=C1	REAL300018088662	0	43	-1.0	-70.61	364.07	7.21	-63.40
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NC=C(C(F)(F)F)S3)=C2)C=C1	REAL300018088663	0	38	-1.0	-59.77	363.16	7.02	-52.75
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CC=CC(F)=C3OC(F)F)=C2)C=C1	REAL300018088664	1	43	-1.0	-63.94	382.10	8.39	-55.55
CN(C)CC1=NC(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CS1	REAL300018088680	0	46	-1.0	-60.99	398.80	5.19	-55.80
CC1CCC2=C(C1)SC(CNCC1=CC=CC(N3C=CC(C(=O)[O-])=N3)=C1)=N2	REAL300018088696	1	48	-1.0	-61.14	406.86	9.05	-52.09
CCC1=CN=C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018088697	0	41	-1.0	-65.69	365.77	7.43	-58.26
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NOC(C4CCC4)=C3)=C2)C=C1	REAL300018088707	0	45	-1.0	-68.13	382.67	8.96	-59.17
CC1(C2=CC(CNCC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=NO2)CC1	REAL300018088708	0	45	-1.0	-68.14	385.11	8.85	-59.29
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CON=C3C3CC3)=C2)C=C1	REAL300018088715	1	42	-1.0	-62.78	365.79	8.30	-54.48
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CC(C4=CC=CC=C4)=NO3)=C2)C=C1	REAL300018088716	1	45	-1.0	-63.16	392.55	9.86	-53.30
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CN=C(C4CCOCC4)O3)=C2)C=C1	REAL300018088726	1	49	-1.0	-64.94	409.86	5.16	-59.78
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NOC(C4CC4)=C3)=C2)C=C1	REAL300018088727	0	42	-1.0	-68.27	366.09	8.44	-59.83
CC1=C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)NN=C1C(F)(F)F	REAL300018088731	1	42	-1.0	-63.33	377.27	6.63	-56.70
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NC(C4CC4)=CS3)=C2)C=C1	REAL300018088734	0	42	-1.0	-60.65	373.16	7.92	-52.73
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CN(CC4CC4)N=N3)=C2)C=C1	REAL300018088735	0	45	-1.0	-62.42	387.12	7.60	-54.82
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NC4=C(CCCC4)N3)=C2)C=C1	REAL300018088737	0	46	-1.0	-60.69	380.53	7.79	-52.90
CC1=CC=CC(F)=C1CNCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088739	1	42	-1.0	-57.51	359.84	9.25	-48.26
CC(C)(C)N1N=CC=C1CNCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088745	1	48	-1.0	-61.81	388.49	8.87	-52.94
CCN1C=CC(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088750	0	42	-1.0	-61.41	361.99	7.28	-54.13
CCCN1C=CC(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088758	0	45	-1.0	-61.15	383.49	8.04	-53.11
CC(C)N1C=CC(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088759	0	45	-1.0	-68.37	380.62	7.80	-60.57
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NN(CC(F)(F)F)C=C3)=C2)C=C1	REAL300018088762	0	42	-1.0	-62.82	379.86	7.77	-55.05
CN1C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=NC2=C1CCCC2	REAL300018088763	0	49	-1.0	-61.89	400.24	9.38	-52.51
CN1C=C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C(F)(F)F)=N1	REAL300018088764	1	42	-1.0	-61.49	374.48	7.47	-54.02
CC1=CC=CC(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088765	1	41	-1.0	-63.61	354.09	7.48	-56.13
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CC4=CC=CC=C4C=N3)=C2)C=C1	REAL300018088766	1	44	-1.0	-64.21	378.67	9.13	-55.08
COC1=NC(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC=C1C	REAL300018088767	1	45	-1.0	-63.80	384.82	6.09	-57.71
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CC=CC(C(F)F)=C3F)=C2)C=C1	REAL300018088768	1	42	-1.0	-70.43	376.17	9.64	-60.79
CCOC1=CC=C(Cl)C=C1CNCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088770	1	46	-1.0	-61.91	404.59	9.49	-52.42
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CC4=C(CCCC4)O3)=C2)C=C1	REAL300018088772	1	46	-1.0	-65.03	381.80	9.53	-55.50
CCC(C)N1N=CC=C1CNCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088773	1	48	-1.0	-61.79	398.84	8.47	-53.32
CN1C=C(Br)N=C1CNCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088777	0	39	-1.0	-59.45	358.88	7.56	-51.89
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NC4=CC=CC=C4S3)=C2)C=C1	REAL300018088779	1	41	-1.0	-68.53	369.24	8.15	-60.38
CC1=C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C(F)(F)F)=CO1	REAL300018088788	1	42	-1.0	-67.85	378.22	8.46	-59.39
COC1=CC=C(F)C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1OC	REAL300018088802	0	47	-1.0	-63.06	401.87	7.98	-55.08
CCC1=CC=C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N=C1	REAL300018088805	1	44	-1.0	-63.04	375.42	8.29	-54.75
CC(C)(C)C1=NOC=C1CNCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088808	1	47	-1.0	-64.16	384.58	9.20	-54.96
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CON=C3C3CCC3)=C2)C=C1	REAL300018088812	1	45	-1.0	-62.53	382.23	8.78	-53.75
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CC=C(C(F)(F)F)C=C3F)=C2)C=C1	REAL300018088813	1	42	-1.0	-56.97	381.84	9.73	-47.24
CC1=NN(C2CCCC2)C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088815	1	52	-1.0	-64.91	425.68	9.78	-55.13
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CC=NN3CC(F)F)=C2)C=C1	REAL300018088816	1	42	-1.0	-62.11	373.18	7.45	-54.66
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CN(C4=CC=CC(F)=C4)N=C3)=C2)C=C1	REAL300018088818	1	46	-1.0	-64.72	402.76	9.99	-54.73
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NN(C4CCC4)C=C3)=C2)C=C1	REAL300018088819	0	46	-1.0	-61.11	385.80	8.38	-52.73
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NN(CC(F)F)C=C3)=C2)C=C1	REAL300018088820	0	42	-1.0	-72.17	373.77	7.60	-64.57
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NN(C4CC4(F)F)C=C3)=C2)C=C1	REAL300018088821	0	43	-1.0	-64.89	383.50	8.14	-56.75
CC1=CN(C)C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088822	0	42	-1.0	-71.26	359.16	7.67	-63.59
O=C([O-])C1=NN(C2=CC=CC(CNCC3=NN(C4CCCC4)C=C3)=C2)C=C1	REAL300018088824	0	49	-1.0	-62.58	403.37	9.06	-53.52
COC1=CC=C2SC(CNCC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=NC2=C1	REAL300018088828	1	45	-1.0	-63.35	398.71	7.43	-55.92
CN1N=C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1C1=CC=CO1	REAL300018088829	0	46	-1.0	-64.56	399.21	8.02	-56.54
O=C([O-])C1=NN(C2=CC=CC(CNCC3=C(Cl)C=CC4=C3OCO4)=C2)C=C1	REAL300018088830	0	42	-1.0	-64.82	377.66	7.77	-57.05
O=C([O-])C1=NN(C2=CC=CC(CNCC3=CC(C4=CC=CC=C4)=CC=N3)=C2)C=C1	REAL300018088838	1	48	-1.0	-63.07	407.17	10.30	-52.77
COC1=CC(C)=CC(OC)=C1CNCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088840	1	50	-1.0	-64.74	415.30	8.08	-56.66
CCCN1N=C(C)C=C1CNCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088861	1	48	-1.0	-62.54	403.16	8.53	-54.01
CC(C)(C)C1=NC=C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300018088863	1	47	-1.0	-63.87	396.78	6.19	-57.68
COCC1(C(=O)[O-])CCCN(CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C1	REAL300018088864	1	45	-1.0	-51.52	374.76	7.27	-44.25
COCC1(C(=O)[O-])CCCN(CC2=CN(CC3=CC=CN=C3)N=N2)C1	REAL300018088869	1	47	-1.0	-53.62	372.29	5.44	-48.18
COCC1(C(=O)[O-])CCCN(CC2=CN(C3=CC=C(Cl)C(Cl)=C3)N=N2)C1	REAL300018088870	1	45	-1.0	-51.35	384.08	7.68	-43.67
COCC1(C(=O)[O-])CCCN(CC2=NC=C(C(C)C)S2)C1	REAL300018088871	1	44	-1.0	-51.83	351.77	5.97	-45.86
COCC1(C(=O)[O-])CCCN(CC2=CC(Br)=CC3=C2OCC3)C1	REAL300018088875	1	44	-1.0	-53.56	355.19	6.95	-46.61
COCC1(C(=O)[O-])CCCN(CC2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300018088879	0	43	-1.0	-54.28	349.99	6.17	-48.11
COCC1(C(=O)[O-])CCCN(CC2=NOC(CN(C)C)=C2)C1	REAL300018088884	1	46	-1.0	-51.56	356.19	3.37	-48.19
COCC1(C(=O)[O-])CCCN(CC2=CN(C3=CC=CC=C3C)N=N2)C1	REAL300018088885	1	48	-1.0	-54.86	373.31	7.61	-47.25
COCC1(C(=O)[O-])CCCN(CC2=C(Cl)C=C(Cl)C=C2N(C)C)C1	REAL300018088888	1	47	-1.0	-49.80	381.10	7.04	-42.76
COCC1(C(=O)[O-])CCCN(CC2=CC(Br)=CS2)C1	REAL300018088913	1	36	-1.0	-48.86	310.48	5.79	-43.07
COCC1(C(=O)[O-])CCCN(CC2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300018088914	1	45	-1.0	-51.79	373.96	7.38	-44.41
COCC1(C(=O)[O-])CCCN(CC2=C(Cl)N(C)N=C2C)C1	REAL300018088915	1	42	-1.0	-51.64	329.76	4.27	-47.37
COCC1(C(=O)[O-])CCCN(CC2=CC(C(F)(F)F)=CC=C2Cl)C1	REAL300018088920	1	42	-1.0	-50.58	344.88	7.18	-43.40
COCC1(C(=O)[O-])CCCN(CC2=CC=C(F)C(C(F)(F)F)=C2)C1	REAL300018088922	1	42	-1.0	-49.61	346.18	7.42	-42.19
COCC1(C(=O)[O-])CCCN(CC2=CC(Cl)=CC=C2Cl)C1	REAL300018088923	1	39	-1.0	-51.37	334.62	7.39	-43.98
COCC1(C(=O)[O-])CCCN(CC2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300018088925	1	42	-1.0	-48.78	343.42	7.06	-41.72
COCC1(C(=O)[O-])CCCN(CC2=CC(F)=CC=C2Br)C1	REAL300018088926	1	39	-1.0	-49.81	328.14	7.12	-42.69
COCC1(C(=O)[O-])CCCN(CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C1	REAL300018088927	1	45	-1.0	-48.64	376.08	8.00	-40.64
COCC1(C(=O)[O-])CCCN(CC2=CC(Cl)=CC=C2F)C1	REAL300018088928	1	39	-1.0	-54.97	325.87	6.94	-48.03
COCC1(C(=O)[O-])CCCN(CC2=NC=CC=C2C(F)(F)F)C1	REAL300018088934	1	41	-1.0	-55.95	329.88	6.09	-49.86
COCC1(C(=O)[O-])CCCN(CC2=NC3=CC=C(Cl)C=C3N2C)C1	REAL300018088942	1	45	-1.0	-61.91	356.67	7.38	-54.53
COCC1(C(=O)[O-])CCCN(CC2=C(C)N=C3SC(C)=NN32)C1	REAL300018088945	1	44	-1.0	-59.49	356.93	5.77	-53.72
COCC1(C(=O)[O-])CCCN(CC2=NC3=CC(Cl)=CC=C3N2C)C1	REAL300018088947	1	45	-1.0	-52.34	366.44	7.31	-45.03
COCC1(C(=O)[O-])CCCN(CC2=CC(Cl)=C(OC)C=C2Cl)C1	REAL300018088949	1	43	-1.0	-52.34	363.69	6.81	-45.53
COCC1(C(=O)[O-])CCCN(CC2=CC(Br)=C(OC)S2)C1	REAL300018088955	1	40	-1.0	-53.43	345.35	5.44	-47.99
COCC1(C(=O)[O-])CCCN(CC2=CN=CC(Br)=C2)C1	REAL300018088957	1	38	-1.0	-48.69	314.54	4.75	-43.94
COCC1(C(=O)[O-])CCCN(CC2=NC=C(Cl)S2)C1	REAL300018088959	0	35	-1.0	-49.36	305.05	4.38	-44.98
CCS(=O)(=O)C1=C(Cl)C=CC=C1CN1CCCC(COC)(C(=O)[O-])C1	REAL300018088965	0	48	-1.0	-55.75	385.53	6.89	-48.86
COCC1(C(=O)[O-])CCCN(CC2=CC=CC(Br)=C2OC)C1	REAL300018088967	1	43	-1.0	-50.08	343.58	6.95	-43.13
COCC1(C(=O)[O-])CCCN(CC2=CC=C(Cl)C=C2F)C1	REAL300018088975	1	39	-1.0	-49.43	316.42	6.41	-43.02
COCC1(C(=O)[O-])CCCN(CC2=CC=C(Br)O2)C1	REAL300018088976	1	36	-1.0	-49.74	305.92	5.22	-44.52
COCC1(C(=O)[O-])CCCN(CC2=CC(Br)=C(Cl)S2)C1	REAL300018088980	0	36	-1.0	-50.05	329.85	6.56	-43.49
COCC1(C(=O)[O-])CCCN(CC2=CN(C(C)(C)C)N=N2)C1	REAL300018088981	0	47	-1.0	-65.83	359.70	4.76	-61.07
COCC1(C(=O)[O-])CCCN(CC2=NC=CN2C2=CC=CC=C2)C1	REAL300018088986	1	46	-1.0	-60.08	355.63	8.33	-51.75
COCC1(C(=O)[O-])CCCN(CC2=CC=C(Cl)C(Br)=C2)C1	REAL300018088989	1	39	-1.0	-49.42	337.98	7.44	-41.98
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC(Cl)=C2[O-])C1	REAL300018088990	0	40	-1.0	-62.76	324.95	7.07	-55.69
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC(Cl)=C2[O-])C1	REAL300018088990	1	40	-1.0	-50.48	320.61	7.11	-43.37
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC(Cl)=CC(F)=C2[O-])C1	REAL300018088991	0	40	-1.0	-61.61	332.25	7.01	-54.60
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(Cl)=CC(F)=C2[O-])C1	REAL300018088991	1	40	-1.0	-80.35	332.60	7.08	-73.27
COCC1(C(=O)[O-])CCCN(CC2=NN(C(F)F)C=C2)C1	REAL300018088992	0	39	-1.0	-53.12	315.76	3.98	-49.14
COCC1(C(=O)[O-])CCCN(CC2=CC(O)=C(OC)C=C2Br)C1	REAL300018088994	1	44	-1.0	-51.85	360.14	5.19	-46.66
CN1N=NC(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109656	0	37	-1.0	-54.41	327.11	5.18	-49.23
COCC1=CC(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=NO1	REAL300018109657	1	42	-1.0	-50.75	359.87	6.51	-44.24
CC(C)N1C=C(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300018109659	1	44	-1.0	-53.86	366.33	7.14	-46.72
CCN1N=CC(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109664	1	41	-1.0	-48.79	347.99	6.29	-42.50
O=C([O-])[C@@H]1CN(CC2=CSN=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109670	0	34	-1.0	-50.67	314.97	6.08	-44.59
CN1N=CC(Cl)=C1CN1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109683	1	39	-1.0	-50.70	348.96	7.50	-43.20
O=C([O-])[C@@H]1CN(CC2=COC=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109689	1	35	-1.0	-51.04	311.92	4.32	-46.72
CN1C(Cl)=CN=C1CN1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109701	0	39	-1.0	-46.09	342.55	7.67	-38.42
CN1C=CN=C1CN1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109705	1	39	-1.0	-50.99	324.90	7.55	-43.44
CN1C=C(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300018109709	1	38	-1.0	-54.79	333.35	6.22	-48.57
CCN1N=C(C)C(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109717	1	44	-1.0	-52.27	373.81	7.15	-45.12
CCCN1C=C(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300018109726	1	44	-1.0	-54.14	368.96	7.37	-46.77
CC(C)N1N=CN=C1CN1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109728	1	44	-1.0	-45.73	364.12	8.73	-37.00
CN1N=CC(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109751	1	38	-1.0	-48.98	326.20	5.45	-43.53
O=C([O-])[C@@H]1CN(CC2=NC=CS2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109790	1	35	-1.0	-45.00	313.01	6.62	-38.38
O=C([O-])[C@@H]1CN(CC2=CSC=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109800	1	35	-1.0	-51.46	322.59	6.66	-44.80
CCC1=NC(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CS1	REAL300018109807	1	41	-1.0	-50.69	364.36	8.18	-42.51
CCN1C=CN=C1CN1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109809	1	42	-1.0	-53.83	357.25	9.40	-44.43
O=C([O-])[C@@H]1CN(CC2=NOC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109831	1	35	-1.0	-50.53	304.30	6.64	-43.89
CC1=CNC(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109835	1	39	-1.0	-46.27	332.43	6.80	-39.47
CC(C)N1C=CN=C1CN1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109839	1	45	-1.0	-53.39	377.85	9.54	-43.85
CCN1N=CN=C1CN1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109845	1	41	-1.0	-52.17	354.19	8.53	-43.64
CN1C(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CN=C1Cl	REAL300018109846	1	39	-1.0	-43.59	347.48	8.27	-35.32
CN1N=CN=C1CN1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109853	1	38	-1.0	-52.94	329.83	7.73	-45.21
CCC1=CNC(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109854	1	42	-1.0	-53.93	358.09	7.52	-46.41
CC1=C(C)NC(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109855	1	42	-1.0	-53.40	355.56	7.25	-46.15
O=C([O-])[C@@H]1CN(CC2=NOC(C3CC3)=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109867	1	42	-1.0	-52.15	365.36	9.33	-42.82
CC1=CN(C)C(CN2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109877	1	42	-1.0	-54.45	360.15	8.56	-45.89
O=C([O-])[C@@H]1CN(CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C[C@H]1C1CC1	REAL300018109881	1	42	-1.0	-54.80	364.61	8.15	-46.65
O=C([O-])[C@@H]1CN(CC2=CN(CC3=CC=CN=C3)N=N2)C[C@H]1C1CC1	REAL300018109885	1	44	-1.0	-56.80	362.15	6.33	-50.47
O=C([O-])[C@@H]1CN(CC2=CN(C3=CC=C(Cl)C(Cl)=C3)N=N2)C[C@H]1C1CC1	REAL300018109886	1	42	-1.0	-54.42	373.92	8.56	-45.86
O=C([O-])[C@@H]1CN(CC2=C(F)C=CC=C2OC(F)(F)F)C[C@H]1C1CC1	REAL300018109893	1	40	-1.0	-48.58	320.51	7.02	-41.56
CC1=CC=CC=C1N1C=C(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)N=N1	REAL300018109897	1	45	-1.0	-56.11	345.43	7.69	-48.42
O=C([O-])[C@@H]1CN(CC2=CC(Br)=CC(C(F)(F)F)=C2)C[C@H]1C1CC1	REAL300018109932	1	39	-1.0	-44.44	333.81	8.58	-35.86
O=C([O-])[C@@H]1CN(CC2=CN=CC(Br)=C2)C[C@H]1C1CC1	REAL300018109952	1	35	-1.0	-48.07	292.89	5.87	-42.20
CCS(=O)(=O)C1=C(Cl)C=CC=C1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109958	0	45	-1.0	-55.15	371.02	8.36	-46.79
O=C([O-])[C@@H]1CN(CC2=CC=C(Br)O2)C[C@H]1C1CC1	REAL300018109965	1	33	-1.0	-53.06	292.29	6.52	-46.54
O=C([O-])[C@@H]1CN(CC2=CC(Br)=C(Cl)S2)C[C@H]1C1CC1	REAL300018109969	1	33	-1.0	-46.65	309.17	7.48	-39.17
O=C([O-])[C@@H]1C[N@H+](CC2=CC(Cl)=CC(F)=C2[O-])C[C@H]1C1CC1	REAL300018109977	0	37	-1.0	-80.97	313.67	8.96	-72.01
O=C([O-])[C@@H]1C[N@@H+](CC2=CC(Cl)=CC(F)=C2[O-])C[C@H]1C1CC1	REAL300018109977	1	37	-1.0	-71.45	322.12	8.88	-62.57
CN1N=CC(Br)=C1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109989	1	36	-1.0	-51.59	304.35	5.48	-46.11
CC1=NN(C)C(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1Br	REAL300018109994	1	39	-1.0	-48.45	310.25	5.62	-42.83
COC1=CC=C(CNC(C)C2=NC=C(C(=O)[O-])S2)C(Cl)=C1OC	REAL300018113901	0	39	-1.0	-49.47	358.58	5.22	-44.25
CC(NCC1=CC=C(C2=CC=CS2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113902	0	38	-1.0	-49.04	351.06	8.05	-40.99
CC(NCC1=CC2=CC=CC=C2S1)C1=NC=C(C(=O)[O-])S1	REAL300018113903	1	34	-1.0	-49.81	321.08	6.98	-42.83
CC(C)OC1=CC=C(CNC(C)C2=NC=C(C(=O)[O-])S2)C=C1	REAL300018113904	0	41	-1.0	-48.36	352.97	6.29	-42.07
CCCCCCCOC1=CC=C(CNC(C)C2=NC=C(C(=O)[O-])S2)C=C1	REAL300018113905	0	53	-1.0	-48.21	442.54	9.59	-38.62
CC(NCC1=C2NC=CC2=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113907	0	35	-1.0	-49.88	315.05	5.45	-44.43
CC(NCC1=CSC([N+](=O)[O-])=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113908	0	30	-1.0	-49.18	303.63	5.20	-43.98
CC(C)CC1=CC=C(CNC(C)C2=NC=C(C(=O)[O-])S2)C=C1	REAL300018113909	0	43	-1.0	-46.85	364.89	8.13	-38.72
CC1=CC=C(C2=CC=CC(CNC(C)C3=NC=C(C(=O)[O-])S3)=C2)C=C1	REAL300018113910	0	44	-1.0	-47.12	379.19	9.49	-37.63
COC1=CC=C(Br)C(CNC(C)C2=NC=C(C(=O)[O-])S2)=C1	REAL300018113911	0	35	-1.0	-49.10	331.41	5.33	-43.77
COC1=CC=C(CNC(C)C2=NC=C(C(=O)[O-])S2)C=C1[N+](=O)[O-]	REAL300018113912	0	37	-1.0	-53.32	339.21	6.18	-47.14
CC(NCC1=CC(Cl)=CC(Cl)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113913	0	31	-1.0	-45.03	317.04	6.42	-38.61
CC1=CC=CC=C1C1=CC=CC(CNC(C)C2=NC=C(C(=O)[O-])S2)=C1	REAL300018113914	0	44	-1.0	-49.35	379.75	9.53	-39.82
CC(NCC1=CC=CC(OC(F)F)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113915	0	35	-1.0	-50.69	322.94	5.03	-45.66
CCOC1=CC=C(CNC(C)C2=NC=C(C(=O)[O-])S2)C=C1OCC	REAL300018113916	0	45	-1.0	-48.85	386.04	6.44	-42.41
CC(NCC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113917	0	34	-1.0	-50.02	335.58	6.86	-43.16
CC(NCC1=CC=C(F)C=C1Br)C1=NC=C(C(=O)[O-])S1	REAL300018113918	0	31	-1.0	-49.25	308.34	6.10	-43.15
CC(NCC1=CC=C2OC(F)(F)OC2=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113919	0	34	-1.0	-47.79	323.18	4.51	-43.28
CC(NCC1=CC=NC2=CC=CC=C12)C1=NC=C(C(=O)[O-])S1	REAL300018113920	0	36	-1.0	-50.75	320.39	5.70	-45.05
CC(NCC1=CC=CC(OC(F)(F)F)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113921	0	35	-1.0	-46.26	329.58	5.20	-41.06
CC(NCC1=CC=C(S(C)(=O)=O)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113922	0	37	-1.0	-56.97	344.38	2.96	-54.01
COC1=CC=CC=C1C1=CC=C(CNC(C)C2=NC=C(C(=O)[O-])S2)C=C1	REAL300018113923	0	45	-1.0	-50.13	391.91	8.51	-41.62
CC(NCC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113926	0	41	-1.0	-48.24	374.63	9.38	-38.86
CC(NCC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113927	0	41	-1.0	-46.42	374.52	9.33	-37.09
CC(NCC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C1=NC=C(C(=O)[O-])S1	REAL300018113928	0	41	-1.0	-50.95	382.87	8.29	-42.66
CC(NCC1=NC2=CC=CC=C2N1C)C1=NC=C(C(=O)[O-])S1	REAL300018113929	0	37	-1.0	-51.95	330.00	5.75	-46.20
CC(NCC1=CC=C2OCCC2=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113930	0	36	-1.0	-47.48	319.47	5.25	-42.23
CC(NCC1=CSC(Br)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113931	0	28	-1.0	-44.88	295.24	5.08	-39.80
COC1=CC=C(CNC(C)C2=NC=C(C(=O)[O-])S2)C=C1OCC1=CC=CN=C1	REAL300018113932	0	48	-1.0	-54.57	419.04	6.83	-47.74
CC(NCC1=CC=C(N2CCCC2)N=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113933	0	42	-1.0	-49.60	357.61	5.35	-44.25
CC(NCC1=CC=CC(NS(C)(=O)=O)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113934	0	39	-1.0	-54.75	357.27	2.16	-52.59
CC(NCC1=C2C=CNC2=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113935	1	35	-1.0	-49.99	314.87	5.45	-44.54
CC(NCC1=CC=C2C=CNC2=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113936	0	35	-1.0	-48.35	314.94	5.44	-42.91
CC(NCC1=CC=CC2=C1OC(F)(F)O2)C1=NC=C(C(=O)[O-])S1	REAL300018113937	0	34	-1.0	-49.40	323.26	4.54	-44.86
CC(NCC1=CC=C2OC(C)(C)CCC2=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113938	0	45	-1.0	-47.79	374.21	7.23	-40.56
CC(NCC1=CC=CC(C2=CC=CN=C2)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113940	0	40	-1.0	-49.64	352.80	7.05	-42.59
CC(NCC1=CC=CC(C2=CC=NC=C2)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113941	0	40	-1.0	-50.48	353.10	7.10	-43.38
CC(NCC1=CC=C(OC2=CN=CC=N2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113943	0	40	-1.0	-51.05	365.03	3.93	-47.12
CC(NCC1=CN(C2=CC=C(F)C=C2)N=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113948	0	38	-1.0	-49.55	348.82	6.68	-42.87
CC(NCC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113949	0	38	-1.0	-49.19	359.14	7.14	-42.05
CC(NCC1=CN(C(C)(C)C)N=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113950	0	40	-1.0	-48.07	346.34	5.22	-42.85
CC1=CC(CNC(C)C2=NC=C(C(=O)[O-])S2)=CC(C)=C1OCC1=CC=CC=N1	REAL300018113951	0	50	-1.0	-48.59	429.41	8.50	-40.09
CC(NCC1=CC=C(OCC(F)(F)F)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113952	0	38	-1.0	-50.07	354.62	6.13	-43.94
CC(NCC1=CC=C(C2=CC=CC(Cl)=C2)S1)C1=NC=C(C(=O)[O-])S1	REAL300018113954	0	38	-1.0	-50.38	368.27	8.73	-41.65
COC1=CC(CNC(C)C2=NC=C(C(=O)[O-])S2)=CC=C1OCC(F)(F)F	REAL300018113955	0	42	-1.0	-50.02	383.76	5.98	-44.04
CC(NCC1=CN=C(N2CCCC2)N=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113956	0	41	-1.0	-52.00	352.71	5.32	-46.68
CC(NCC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113957	0	44	-1.0	-51.02	389.84	6.97	-44.05
CC(NCC1=CC=CC(OCC2=CC=CC=N2)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113958	0	44	-1.0	-49.32	387.61	7.00	-42.32
CC(NCC1=CC(Br)=C2OCCOC2=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113960	0	37	-1.0	-50.96	348.54	5.26	-45.70
CC(NCC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113961	0	41	-1.0	-54.07	383.21	7.61	-46.46
COCCOC1=CC=CC(CNC(C)C2=NC=C(C(=O)[O-])S2)=C1	REAL300018113962	0	42	-1.0	-49.44	368.56	4.91	-44.53
COC1=CC=C(CNC(C)C2=NC=C(C(=O)[O-])S2)C=C1Cl	REAL300018113963	0	35	-1.0	-47.20	329.11	5.25	-41.95
CC(NCC1=CC2=CC(Br)=CC=C2OC1)C1=NC=C(C(=O)[O-])S1	REAL300018113964	0	37	-1.0	-49.26	351.07	6.55	-42.71
CC(NCC1=CC2=CC(Cl)=CC(Cl)=C2OC1)C1=NC=C(C(=O)[O-])S1	REAL300018113965	0	37	-1.0	-48.97	362.59	6.98	-41.99
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C[C@@H]1CN(CC2=NC=C(Br)C=C2Br)C[C@@H](C(=O)[O-])O1	REAL300018122886	0	32	-1.0	-49.73	298.91	5.52	-44.21
COC1=CC=C(OC2=CC=C(CN3C[C@@H](C)O[C@H](C(=O)[O-])C3)C=C2)C=C1	REAL300018122887	0	48	-1.0	-52.97	383.35	8.20	-44.77
C[C@@H]1CN(CC2=CN(C)N=C2C2CCCCC2)C[C@@H](C(=O)[O-])O1	REAL300018122888	0	49	-1.0	-52.09	371.79	7.55	-44.54
C[C@@H]1CN(CC2=CN(CC3=CC=CN=C3)N=N2)C[C@@H](C(=O)[O-])O1	REAL300018122889	0	41	-1.0	-64.81	337.54	4.71	-60.10
C[C@@H]1CN(CC2=CN(C3=CC=C(Cl)C(Cl)=C3)N=N2)C[C@@H](C(=O)[O-])O1	REAL300018122890	0	39	-1.0	-59.67	349.35	6.95	-52.72
C[C@@H]1CN(CC2=CC=C(OCC(F)(F)F)C(F)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122891	0	40	-1.0	-50.29	339.63	6.56	-43.73
C[C@@H]1CN(CC2=C(Br)C=CS2)C[C@@H](C(=O)[O-])O1	REAL300018122892	0	30	-1.0	-47.67	272.12	5.48	-42.19
C[C@@H]1CN(CC2=CC(Br)=CC3=C2OCC3)C[C@@H](C(=O)[O-])O1	REAL300018122893	0	38	-1.0	-51.17	321.58	6.49	-44.68
C[C@@H]1CN(CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C[C@@H](C(=O)[O-])O1	REAL300018122894	0	39	-1.0	-50.79	345.38	7.58	-43.21
C[C@@H]1CN(CC2=C(F)C=CC=C2OC(F)(F)F)C[C@@H](C(=O)[O-])O1	REAL300018122895	0	37	-1.0	-50.91	311.21	5.97	-44.94
C[C@@H]1CN(CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300018122896	1	52	-1.0	-53.11	400.92	9.52	-43.59
C[C@@H]1CN(CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)C[C@@H](C(=O)[O-])O1	REAL300018122897	0	43	-1.0	-54.45	361.57	8.17	-46.28
CC1=CC=CC=C1N1C=C(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)N=N1	REAL300018122898	0	42	-1.0	-63.81	338.62	6.86	-56.95
COCCOCC1=CC=C(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1	REAL300018122899	0	47	-1.0	-53.55	373.03	5.76	-47.79
C[C@@H]1CN(CC2=C(Cl)C=C(Cl)C=C2N(C)C)C[C@@H](C(=O)[O-])O1	REAL300018122900	0	41	-1.0	-49.50	344.93	6.70	-42.80
C[C@@H]1CN(CC2=CC=C(C3CCCC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122901	1	46	-1.0	-50.42	347.68	9.20	-41.22
C[C@@H]1CN(CC2=CC=CC=C2C2=CC=NN2C)C[C@@H](C(=O)[O-])O1	REAL300018122902	1	43	-1.0	-50.20	339.20	6.97	-43.23
C[C@@H]1CN(CC2=C(Cl)C=CC=C2N2CCOCC2)C[C@@H](C(=O)[O-])O1	REAL300018122903	0	46	-1.0	-50.46	360.29	5.54	-44.92
CC1CN(C2=CC=CC=C2CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)CCO1	REAL300018122904	0	49	-1.0	-48.88	372.39	6.17	-42.71
CC1=C(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)N2C(C3CC3)=CSC2=N1	REAL300018122905	0	43	-1.0	-58.64	344.78	7.67	-50.97
CC1=CC=CC=C1C1=CC=CC=C1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122906	1	46	-1.0	-50.45	355.47	9.72	-40.73
CC1=NN(C2=CC=CC(F)=C2)C=C1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122907	0	43	-1.0	-54.01	350.55	7.82	-46.19
CC1=CC(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300018122908	0	39	-1.0	-49.69	316.88	7.30	-42.39
C[C@@H]1CN(CC2=CN=NN2C2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300018122909	0	39	-1.0	-55.27	309.45	5.33	-49.94
C[C@@H]1CN(CC2=CC=C(OC3=CC=C(F)C=C3)N=C2)C[C@@H](C(=O)[O-])O1	REAL300018122910	0	43	-1.0	-50.98	355.61	6.20	-44.78
COC1=CC=C(C2=CC(CN3C[C@@H](C)O[C@H](C(=O)[O-])C3)=CC3=C2OCO3)C=N1	REAL300018122911	0	49	-1.0	-56.19	396.34	4.83	-51.36
CCCCOC1=CC=CC=C1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122912	0	46	-1.0	-53.47	347.99	7.68	-45.79
C[C@@H]1CN(CC2=CC=CC(Br)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122913	0	33	-1.0	-47.83	283.74	6.40	-41.43
C[C@@H]1CN(CC2=CC=CC=C2C(F)(F)F)C[C@@H](C(=O)[O-])O1	REAL300018122914	0	36	-1.0	-48.06	294.12	7.74	-40.32
CCOC1=CC=C(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1OC	REAL300018122915	0	44	-1.0	-52.44	344.02	6.11	-46.33
C[C@@H]1CN(CC2=CC=C(C3=CC=C(F)C=C3)O2)C[C@@H](C(=O)[O-])O1	REAL300018122916	0	40	-1.0	-54.80	330.46	7.92	-46.88
C[C@@H]1CN(CC2=CC(Br)=CS2)C[C@@H](C(=O)[O-])O1	REAL300018122917	0	30	-1.0	-48.06	275.26	5.76	-42.30
C[C@@H]1CN(CC2=CSC(C3=CC=C(F)C=C3)=N2)C[C@@H](C(=O)[O-])O1	REAL300018122918	0	39	-1.0	-55.32	334.24	6.97	-48.35
C[C@@H]1CN(CC2=CC=C(N3C=CC=N3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122919	1	40	-1.0	-52.51	321.86	7.20	-45.31
COC1=NC2=CC=CC=C2C=C1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122920	0	42	-1.0	-59.22	328.21	4.86	-54.36
C[C@@H]1CN(CC2=CC(C(F)(F)F)=CC=C2Cl)C[C@@H](C(=O)[O-])O1	REAL300018122921	0	36	-1.0	-48.53	318.47	7.59	-40.94
C[C@@H]1CN(CC2=CC=C(F)C(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122922	0	36	-1.0	-47.87	307.76	7.05	-40.82
C[C@@H]1CN(CC2=CC(Cl)=CC=C2Cl)C[C@@H](C(=O)[O-])O1	REAL300018122923	0	33	-1.0	-47.72	296.46	7.11	-40.61
C[C@@H]1CN(CC2=CC=C(F)C=C2C(F)(F)F)C[C@@H](C(=O)[O-])O1	REAL300018122924	0	36	-1.0	-46.99	300.56	7.80	-39.19
C[C@@H]1CN(CC2=CC(F)=CC(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122925	0	36	-1.0	-49.23	307.63	6.88	-42.35
C[C@@H]1CN(CC2=CC(F)=CC=C2Br)C[C@@H](C(=O)[O-])O1	REAL300018122926	0	33	-1.0	-48.18	289.96	6.84	-41.34
C[C@@H]1CN(CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122927	0	39	-1.0	-49.70	341.30	7.99	-41.71
C[C@@H]1CN(CC2=CC=CC(C3=CC=CC=N3)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122928	1	42	-1.0	-53.41	334.14	7.68	-45.73
CC1=NN(C(C)(C)C)C(C)=C1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122929	0	48	-1.0	-57.01	343.57	5.65	-51.36
C[C@@H]1CN(CC2=CC(Br)=CC(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122930	0	36	-1.0	-48.36	322.51	7.42	-40.94
CC1=CC=C(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(Br)=C1	REAL300018122931	0	36	-1.0	-47.77	304.37	7.17	-40.60
C[C@@H]1CN(CC2=NC=CC=C2C(F)(F)F)C[C@@H](C(=O)[O-])O1	REAL300018122932	0	35	-1.0	-51.55	290.29	5.48	-46.07
COC1=CC=C2OC(CN3C[C@@H](C)O[C@H](C(=O)[O-])C3)=CC2=C1	REAL300018122933	0	40	-1.0	-56.15	321.16	5.77	-50.38
CC1=CC=C(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1Br	REAL300018122934	0	36	-1.0	-51.59	301.98	6.99	-44.60
C[C@@H]1CN(CC2=NC3=CC=C(Cl)C=C3N2C)C[C@@H](C(=O)[O-])O1	REAL300018122935	0	39	-1.0	-52.74	321.87	6.43	-46.31
C[C@@H]1CN(CC2=CC=C(OC(F)F)C(F)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122936	0	37	-1.0	-52.92	307.96	5.45	-47.47
CC1=NN2C(=NC(C)=C2CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)S1	REAL300018122937	0	38	-1.0	-57.65	314.33	4.95	-52.70
C[C@@H]1CN(CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122938	0	47	-1.0	-50.82	380.13	9.15	-41.67
C[C@@H]1CN(CC2=NC3=CC(Cl)=CC=C3N2C)C[C@@H](C(=O)[O-])O1	REAL300018122939	0	39	-1.0	-52.70	321.85	6.43	-46.27
CC(CN1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1=CC=CC(Br)=C1	REAL300018122940	0	39	-1.0	-50.15	323.52	8.25	-41.90
COC1=CC(Cl)=C(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1Cl	REAL300018122941	0	37	-1.0	-50.04	323.41	6.10	-43.94
C[C@@H]1CN(CC2=CC=C(C3=CC=NC=C3)C=C2F)C[C@@H](C(=O)[O-])O1	REAL300018122942	0	42	-1.0	-50.01	339.52	7.70	-42.31
C[C@@H]1CN(CC2=CN(CC3=CC=CC=C3)N=C2C(C)(C)C)C[C@@H](C(=O)[O-])O1	REAL300018122943	0	55	-1.0	-53.21	418.63	11.15	-42.06
C[C@@H]1CN(CC2=CN(C3=CC=CC=C3Cl)N=C2C(C)(C)C)C[C@@H](C(=O)[O-])O1	REAL300018122944	0	52	-1.0	-51.77	400.84	9.38	-42.39
C[C@@H]1CN(CC2=NC3=C(CC(C)(C)CC3)S2)C[C@@H](C(=O)[O-])O1	REAL300018122945	0	45	-1.0	-51.92	346.61	6.43	-45.49
C[C@@H]1CN(CC2=CN=C(C3CCCO3)S2)C[C@@H](C(=O)[O-])O1	REAL300018122946	0	40	-1.0	-51.98	326.31	4.04	-47.94
COC1=C(Br)C=C(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)S1	REAL300018122947	0	34	-1.0	-49.51	306.72	5.22	-44.29
C[C@@H]1CN(CC2=CN=CC(Br)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122948	0	32	-1.0	-50.45	278.64	4.55	-45.90
CCN1N=C(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)C2=CC=CC=C21	REAL300018122949	0	42	-1.0	-54.14	332.88	6.44	-47.70
COC1=CC=C(C2=CC=NC=C2)C=C1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122951	0	46	-1.0	-53.71	361.25	6.84	-46.87
CCS(=O)(=O)C1=C(Cl)C=CC=C1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122952	0	42	-1.0	-55.49	348.15	6.68	-48.81
COC1=C(Br)C=CC=C1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122954	0	37	-1.0	-47.49	310.52	7.00	-40.49
C[C@@H]1CN(CC2=CN(CC3=CC=C(F)C=C3)N=C2)C[C@@H](C(=O)[O-])O1	REAL300018122955	0	43	-1.0	-56.41	354.68	7.69	-48.72
C[C@@H]1CN(CCCC2=C(F)C=CC=C2Cl)C[C@@H](C(=O)[O-])O1	REAL300018122956	0	39	-1.0	-51.17	326.59	8.05	-43.12
CC1=NC2=CC=C(CN3C[C@@H](C)O[C@H](C(=O)[O-])C3)C=C2C=C1	REAL300018122957	1	41	-1.0	-56.41	325.12	6.77	-49.64
C[C@@H]1CN(CC2=CC=C(Br)O2)C[C@@H](C(=O)[O-])O1	REAL300018122958	0	30	-1.0	-52.65	266.26	4.81	-47.84
CC1=CC(C(F)(F)F)=CC=C1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122959	1	39	-1.0	-49.43	319.41	7.78	-41.65
COC1=CC=C2N=C(CN3C[C@@H](C)O[C@H](C(=O)[O-])C3)SC2=C1	REAL300018122960	0	39	-1.0	-55.39	324.12	4.59	-50.80
C[C@@H]1CN(CC2=CC(Br)=C(Cl)S2)C[C@@H](C(=O)[O-])O1	REAL300018122961	0	30	-1.0	-48.50	290.18	6.15	-42.35
COCCN(C)C1=CC=C(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=N1	REAL300018122962	0	47	-1.0	-52.61	364.34	5.77	-46.84
CC(C)N(C)C1=CC=C(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=N1	REAL300018122963	0	46	-1.0	-51.72	349.24	7.07	-44.65
C[C@@H]1CN(CC2=CC=C(OCC3CC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122964	0	44	-1.0	-50.60	346.48	7.80	-42.80
C[C@@H]1CN(CC2=NC=CN2C2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300018122965	0	40	-1.0	-57.57	320.82	8.59	-48.98
C[C@@H]1CN(CC2=NNC=C2C2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300018122966	0	40	-1.0	-55.25	321.73	6.52	-48.73
C[C@@H]1CN(CC2=CC=C(Cl)C(Br)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122967	0	33	-1.0	-47.78	298.61	6.87	-40.91
C[C@@H]1CN(CC2=CC(Cl)=CC(F)=C2O)C[C@@H](C(=O)[O-])O1	REAL300018122968	1	34	-1.0	-50.46	297.49	3.79	-46.67
C[C@@H]1CN(CC2=CC=C(Br)C3=CC=CN=C23)C[C@@H](C(=O)[O-])O1	REAL300018122969	0	38	-1.0	-54.65	313.67	7.13	-47.52
COC1=CC(Br)=C(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1O	REAL300018122970	0	38	-1.0	-49.59	322.74	3.72	-45.87
CC(C)SC1=CC(Br)=CC=C1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122971	0	43	-1.0	-48.10	361.24	8.92	-39.18
C[C@@H]1CN(CC2=CC=C(OC3=CC=CC=C3)O2)C[C@@H](C(=O)[O-])O1	REAL300018122972	0	41	-1.0	-56.73	330.55	7.69	-49.04
COC1=CC(C2=CC=CC=C2)=CC=C1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122973	0	47	-1.0	-52.19	367.14	8.78	-43.41
C[C@@H]1CN(CC2=CC=C(SC(F)F)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122974	0	37	-1.0	-53.41	312.30	7.06	-46.35
CC1=CC=C(N2C(Cl)=C(CN3C[C@@H](C)O[C@H](C(=O)[O-])C3)N=C2N(C)C)C=C1	REAL300018122975	0	51	-1.0	-56.83	421.32	9.58	-47.25
C[C@@H]1CN(CC2=CC=C(SC3=CC=CC=N3)O2)C[C@@H](C(=O)[O-])O1	REAL300018122976	0	40	-1.0	-59.48	339.89	7.12	-52.36
C[C@@H]1CN(CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122977	0	44	-1.0	-52.10	358.61	8.90	-43.20
C[C@@H]1CN(CCC2=CC=C(C(C)(C)C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122978	1	48	-1.0	-48.54	362.03	9.15	-39.39
CCOC1=C(Cl)C=CC=C1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122979	0	40	-1.0	-50.20	331.26	6.70	-43.50
C[C@@H]1CN(CC2=C(Br)C=NN2C)C[C@@H](C(=O)[O-])O1	REAL300018122980	0	33	-1.0	-53.20	280.64	3.75	-49.45
C[C@@H]1CN(CC2=CN=C(C3=CC=CO3)S2)C[C@@H](C(=O)[O-])O1	REAL300018122981	0	36	-1.0	-55.62	310.32	4.95	-50.67
C[C@@H]1CN(CC2=CC=NN2C2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300018122982	0	40	-1.0	-55.42	314.92	6.57	-48.85
CC1=NN(C)C(CN2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1Br	REAL300018122983	0	36	-1.0	-54.25	300.77	4.30	-49.95
C[C@@H]1CN(CC2=CC=C(OCCCCl)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122985	0	43	-1.0	-50.51	352.49	7.45	-43.06
C[C@@H]1CN(CC2=CC=C(C3=CN(C)N=C3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122986	1	43	-1.0	-56.10	339.21	6.91	-49.19
C[C@@H]1CN(CC2=CC=C(N(C)C)C=C2C(F)(F)F)C[C@@H](C(=O)[O-])O1	REAL300018122987	0	44	-1.0	-49.51	345.63	8.14	-41.37
C[C@@H]1CN(CC2=CC=NN2C2=CC=C(F)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122988	0	40	-1.0	-54.56	321.52	6.65	-47.91
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CC(C)C1CC(NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CCO1	REAL300018128776	0	46	-1.0	-48.42	351.26	9.40	-39.02
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CC(C)CC(C)CC(C)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300018128780	0	50	-1.0	-48.22	379.76	11.70	-36.52
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COC1=CC=C(CNC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1C(C)(C)C	REAL300018128782	0	52	-1.0	-49.53	404.62	11.83	-37.70
COCC1=CC=C(CNC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)O1	REAL300018128783	0	40	-1.0	-51.75	340.27	7.87	-43.88
CC(C)(C)OC1=CC=CC(CNC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300018128784	0	49	-1.0	-50.77	384.34	10.99	-39.78
CC(CNC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1CCCCC1	REAL300018128785	0	48	-1.0	-47.90	360.88	11.33	-36.57
NS(=O)(=O)C1=CC=C(CNC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300018128786	0	41	-1.0	-56.38	358.11	4.81	-51.57
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CCOC1=CC=C(CNC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C)=C1	REAL300018128788	0	46	-1.0	-49.70	372.42	10.79	-38.91
COC1=CC(C)=CC=C1CNC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300018128789	0	43	-1.0	-50.60	353.78	9.85	-40.75
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NC1=C(Cl)C=C(Cl)C=C1CNC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300018128791	0	38	-1.0	-48.73	346.95	8.84	-39.89
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COCC1=CSC(CNC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300018128793	0	40	-1.0	-49.90	349.46	8.67	-41.23
CCCC1=CC=C(CNC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300018128794	0	42	-1.0	-48.55	359.03	11.30	-37.25
CC1=C(CNC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=CC=C1[N+](=O)[O-]	REAL300018128795	0	41	-1.0	-53.21	346.48	11.19	-42.02
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COC1=CC(CNC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CC=C1Cl	REAL300018128797	0	40	-1.0	-50.43	349.48	9.70	-40.73
COC1=CC=CC(C)=C1CNC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300018128798	0	43	-1.0	-50.46	349.72	9.72	-40.74
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COC1=NC=C(CNC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)S1	REAL300018128803	0	36	-1.0	-50.51	321.45	5.46	-45.05
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CN1C(CNC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=CN=C1Cl	REAL300018128808	0	36	-1.0	-51.29	320.28	8.70	-42.59
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CC(C)CC(C)CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251875	0	49	-1.0	-48.86	399.83	5.99	-42.87
CC1=CNN=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251876	0	41	-1.0	-55.96	360.73	2.19	-53.77
CC1=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)NN=C1	REAL300018251876	1	41	-1.0	-52.32	363.93	2.32	-50.00
CSC1(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)CC1	REAL300018251877	0	42	-1.0	-49.11	369.41	4.44	-44.67
CSC1(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)CCC1	REAL300018251878	0	45	-1.0	-48.98	380.62	5.61	-43.37
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CC=CO3)CC2)=C1	REAL300018251879	0	38	-1.0	-51.03	341.87	3.39	-47.64
CN1C=CN=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251880	0	41	-1.0	-51.17	356.92	3.46	-47.71
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=NNC=C3)CC2)=C1	REAL300018251881	0	38	-1.0	-52.12	341.51	1.64	-50.48
CC1=NNC=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251882	0	41	-1.0	-51.93	363.71	2.37	-49.56
CC1=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)C=NN1	REAL300018251882	1	41	-1.0	-53.51	363.38	2.32	-51.19
CCN1C=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)C=N1	REAL300018251883	0	44	-1.0	-54.80	385.48	3.86	-50.94
CN1C=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)N=N1	REAL300018251884	0	40	-1.0	-53.56	358.45	1.71	-51.85
CC1=CC=C(O)C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=N1	REAL300018251885	0	44	-1.0	-55.12	386.97	1.32	-53.80
CC1=CN=CC=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251886	0	43	-1.0	-51.68	375.30	4.11	-47.57
CC(C)N1C=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)C=N1	REAL300018251887	0	47	-1.0	-54.33	404.18	4.39	-49.94
CC1=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)OC=C1	REAL300018251888	0	41	-1.0	-50.89	355.79	3.66	-47.23
CC(C)N1N=CC=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251889	0	47	-1.0	-52.94	404.70	4.37	-48.57
COC1=NC=CC(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=N1	REAL300018251890	0	43	-1.0	-52.66	383.13	-0.12	-52.78
CN1N=NC=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251891	0	40	-1.0	-56.68	356.36	1.56	-55.12
CCN1N=C(C)C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=N1	REAL300018251892	0	46	-1.0	-52.35	396.14	2.61	-49.74
CCN1N=NC(C)=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251893	0	46	-1.0	-55.82	397.00	2.95	-52.87
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3CCSC3)CC2)=C1	REAL300018251894	0	42	-1.0	-49.63	366.71	4.80	-44.83
CC1CCCC(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)C1	REAL300018251895	0	50	-1.0	-48.75	405.73	6.56	-42.19
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3(F)CC3)CC2)=C1	REAL300018251896	0	38	-1.0	-53.42	333.88	3.55	-49.87
CC(CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1)C(C)(C)C	REAL300018251897	0	49	-1.0	-48.88	390.87	5.42	-43.46
COCC(C)(C)CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251898	0	47	-1.0	-49.16	389.12	3.99	-45.17
CCCN1C=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)N=N1	REAL300018251899	0	46	-1.0	-51.98	400.35	3.11	-48.87
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CC(C4CC4)=NO3)CC2)=C1	REAL300018251900	0	44	-1.0	-51.16	387.26	4.80	-46.36
CC(C)N1N=CN=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251901	0	46	-1.0	-56.52	400.85	5.13	-51.39
C#CCCCCCCN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251902	0	48	-1.0	-50.21	414.27	6.75	-43.46
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3CC3(Cl)Cl)CC2)=C1	REAL300018251903	0	38	-1.0	-48.91	364.67	4.87	-44.04
COC(C)CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251904	0	41	-1.0	-48.96	351.99	2.00	-46.96
COC1(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)CCCC1	REAL300018251905	0	48	-1.0	-51.60	383.61	4.20	-47.40
CSC(C)(C)CCN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251906	0	47	-1.0	-50.20	396.11	5.17	-45.03
CCC(C)(CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1)OC	REAL300018251907	0	47	-1.0	-48.60	379.25	4.05	-44.55
COC(C)(CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1)C1CC1	REAL300018251908	0	48	-1.0	-49.85	389.75	4.71	-45.14
CCCC(CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1)OC	REAL300018251909	0	47	-1.0	-49.35	397.40	4.12	-45.23
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3CCC4CC4C3)CC2)=C1	REAL300018251910	0	48	-1.0	-48.49	392.55	6.72	-41.77
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CC=CC=N3)CC2)=C1	REAL300018251911	0	40	-1.0	-50.69	356.10	3.39	-47.30
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CC=CS3)CC2)=C1	REAL300018251912	0	38	-1.0	-49.53	351.24	4.38	-45.15
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CC=CN=C3)CC2)=C1	REAL300018251913	0	40	-1.0	-50.80	355.43	3.45	-47.35
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CC=CC=C3)CC2)=C1	REAL300018251914	0	41	-1.0	-50.32	360.53	5.24	-45.08
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CC=CC=C3O)CC2)=C1	REAL300018251915	0	42	-1.0	-52.11	366.04	2.64	-49.47
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CC=C(F)C=C3)CC2)=C1	REAL300018251916	0	41	-1.0	-50.65	366.93	5.29	-45.36
COC(CC(C)C)CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251917	0	50	-1.0	-49.30	414.61	4.62	-44.68
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3CC4CC4C3)CC2)=C1	REAL300018251918	0	45	-1.0	-48.57	378.25	5.79	-42.78
COCC1(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)CCC1	REAL300018251919	0	48	-1.0	-49.30	390.06	4.23	-45.07
CN1N=CC(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=N1	REAL300018251920	0	40	-1.0	-52.80	358.52	1.40	-51.40
CCC1=NOC=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251921	0	43	-1.0	-51.74	381.03	4.09	-47.65
COC(CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1)C1CC1	REAL300018251922	0	45	-1.0	-48.81	381.85	3.79	-45.02
CCC(C)C(CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1)OC	REAL300018251923	0	50	-1.0	-49.22	409.22	4.52	-44.70
COC1(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)CCOC1	REAL300018251924	0	46	-1.0	-50.83	378.43	1.68	-49.15
COC1=CC=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)C=C1	REAL300018251925	0	45	-1.0	-52.16	390.03	4.52	-47.64
CC(C)CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251926	0	40	-1.0	-48.51	343.71	4.09	-44.42
COC1=CC=CC(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=C1	REAL300018251927	0	45	-1.0	-50.99	389.29	4.36	-46.63
CC1=CC=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)O1	REAL300018251928	0	41	-1.0	-51.51	362.75	4.08	-47.43
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CC=NC=C3)CC2)=C1	REAL300018251929	0	40	-1.0	-51.43	355.51	3.47	-47.96
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CC=CC(F)=C3)CC2)=C1	REAL300018251930	0	41	-1.0	-49.40	366.20	5.13	-44.27
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CC=CC(O)=C3)CC2)=C1	REAL300018251931	0	42	-1.0	-51.43	370.81	2.21	-49.22
COC1=CC=CC=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251932	0	45	-1.0	-51.80	384.52	4.78	-47.02
CC1=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)SC=C1	REAL300018251933	0	41	-1.0	-49.13	364.21	4.67	-44.46
CC1=CC=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)C=C1	REAL300018251934	0	44	-1.0	-50.47	381.94	5.91	-44.56
CC1=CC=CC(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=C1	REAL300018251935	0	44	-1.0	-50.63	381.20	5.73	-44.90
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CSC=C3)CC2)=C1	REAL300018251936	0	38	-1.0	-49.98	350.80	4.24	-45.74
CC1=CC=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)S1	REAL300018251937	0	41	-1.0	-49.85	373.14	5.17	-44.68
CC1=CC=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)C(C)=C1	REAL300018251938	0	47	-1.0	-50.64	400.79	7.13	-43.51
CC1=CC=C(C)C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=C1	REAL300018251939	0	47	-1.0	-50.47	400.80	7.14	-43.33
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3CC4C=CC3C4)CC2)=C1	REAL300018251940	0	46	-1.0	-48.65	380.27	5.94	-42.71
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CC=C(Cl)O3)CC2)=C1	REAL300018251941	0	38	-1.0	-49.61	358.90	4.01	-45.60
CC1=CC=CC(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=C1C	REAL300018251942	0	47	-1.0	-50.70	396.34	7.07	-43.63
CN1C=CC=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251943	0	42	-1.0	-53.58	365.66	4.47	-49.11
CC1=NN(C)C(C)=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251944	0	47	-1.0	-51.38	395.43	3.54	-47.84
CC1=NOC(C)=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251945	0	43	-1.0	-53.32	373.26	3.77	-49.55
CC1=NC(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=CS1	REAL300018251946	0	40	-1.0	-50.67	367.89	2.99	-47.68
CCC(C)CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251947	0	43	-1.0	-48.84	361.13	4.70	-44.14
CCCC(C)CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251948	0	46	-1.0	-48.87	382.62	5.46	-43.41
CCC1=CC=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)O1	REAL300018251949	0	44	-1.0	-51.05	385.24	5.00	-46.05
CC1=CC=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)C=C1F	REAL300018251950	0	44	-1.0	-49.73	387.23	5.94	-43.79
CC1=CC(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=CC=C1F	REAL300018251951	0	44	-1.0	-50.57	387.24	5.93	-44.64
CC1=CC(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=CC(C)=C1	REAL300018251952	0	47	-1.0	-50.52	403.33	6.56	-43.96
CC1=CC=CC(C)=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251953	0	47	-1.0	-49.34	390.75	6.19	-43.15
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=NC=CS3)CC2)=C1	REAL300018251954	0	37	-1.0	-53.70	346.72	2.64	-51.06
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CN=CN=C3)CC2)=C1	REAL300018251955	0	39	-1.0	-51.82	349.66	3.22	-48.60
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CCCOC3)CC2)=C1	REAL300018251956	0	43	-1.0	-50.52	368.06	3.08	-47.44
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CN=CS3)CC2)=C1	REAL300018251957	0	37	-1.0	-52.92	344.85	2.31	-50.61
CN1C=NC=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251958	0	41	-1.0	-56.97	360.75	4.15	-52.82
CC1=NN(C)C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=C1	REAL300018251959	0	44	-1.0	-53.56	384.15	3.39	-50.17
CC1=CC(F)=CC=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251960	0	44	-1.0	-50.72	385.77	6.69	-44.03
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3=CSC=N3)CC2)=C1	REAL300018251961	0	37	-1.0	-50.39	345.96	2.30	-48.09
CC1=NNC(C)=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251962	0	44	-1.0	-51.07	377.64	2.59	-48.48
CN1N=CC=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251963	0	41	-1.0	-53.20	362.20	2.81	-50.39
COC1=NC=CC=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251964	0	44	-1.0	-54.33	382.16	2.15	-52.18
CC1=NC=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)S1	REAL300018251965	0	40	-1.0	-52.48	367.81	3.17	-49.31
CC1=NC=C(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)C=N1	REAL300018251966	0	42	-1.0	-52.92	372.11	3.15	-49.77
CCN1C=CN=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251967	0	44	-1.0	-50.44	377.07	4.26	-46.18
CN1C=CC(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=N1	REAL300018251968	0	41	-1.0	-53.06	364.47	2.95	-50.11
CC1=NSC(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=C1	REAL300018251969	0	40	-1.0	-50.55	367.78	3.69	-46.86
CC1=CSC(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=N1	REAL300018251970	0	40	-1.0	-53.89	368.52	3.22	-50.67
CC1=NC=CC=C1CN1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251971	0	43	-1.0	-51.37	375.19	4.14	-47.23
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CCC3CCOCC3)CC2)=C1	REAL300018251972	0	48	-1.0	-49.94	394.93	3.87	-46.07
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3CCSCC3)CC2)=C1	REAL300018251973	0	45	-1.0	-49.76	383.60	5.88	-43.88
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(CC3CCCCCC3)CC2)=C1	REAL300018251974	0	50	-1.0	-48.81	395.85	6.62	-42.19
CC1=CC(CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)=NN1C	REAL300018251975	0	44	-1.0	-53.26	383.95	3.42	-49.84
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CC(CCC1=CSC=C1)NC1=CC=CC(OCC(=O)[O-])=C1	REAL300018258524	0	39	-1.0	-48.50	335.84	9.24	-39.26
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CC(C)(C)C1=CC=CC=C1CNC1=CC=CC(OCC(=O)[O-])=C1	REAL300018258557	0	45	-1.0	-47.75	343.22	10.52	-37.23
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CC1(C)CC2(CO1)CCC(NC1=CC=CC(OCC(=O)[O-])=C1)CC2	REAL300018258562	0	50	-1.0	-48.94	373.97	8.47	-40.47
CSC1=CC=C(CNC2=CC=CC(OCC(=O)[O-])=C2)C=C1Cl	REAL300018258563	0	37	-1.0	-50.03	339.82	9.41	-40.62
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CCOC1=CC(CNC2=CC=CC(OCC(=O)[O-])=C2)=CC=N1	REAL300018258566	0	39	-1.0	-50.53	333.53	5.59	-44.94
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CC1=NN(C2=CC=C(CNC3=CC=CC(OCC(=O)[O-])=C3)C=C2)C=C1Cl	REAL300018258571	0	43	-1.0	-51.83	381.50	10.23	-41.60
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CC1OC2=CC=C(CNC3=CC=CC(OCC(=O)[O-])=C3)C=C2C1C	REAL300018258573	0	44	-1.0	-49.99	357.98	9.05	-40.94
CC1=CC=C(CNC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC(F)F	REAL300018258574	0	40	-1.0	-51.62	343.92	8.27	-43.35
CC(C)C1=CC=C(O)C(CNC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300018258575	0	43	-1.0	-48.26	354.85	7.04	-41.22
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=C2C=CC=CC2=NN1	REAL300018278816	1	42	-1.0	-50.64	348.44	7.24	-43.40
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CSC(C2=CC=CS2)=N1	REAL300018278824	0	42	-1.0	-54.07	378.02	8.45	-45.62
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(C)CC1=CSC=C1	REAL300018278825	0	42	-1.0	-52.11	350.75	9.14	-42.97
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CN=C(N(C)C)N1C	REAL300018278831	0	47	-1.0	-50.90	380.08	7.63	-43.27
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=NC(C2=CC=CC=C2)=CN1	REAL300018278832	0	46	-1.0	-55.46	380.47	8.91	-46.55
CC(C)COC1=CC=C(CNC2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1	REAL300018278833	0	52	-1.0	-50.56	414.53	10.36	-40.20
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1CCCC(C)(C)C1	REAL300018278837	0	51	-1.0	-50.05	377.61	9.89	-40.16
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C(OC(F)F)C(Cl)=C1	REAL300018278838	0	43	-1.0	-51.62	376.86	8.75	-42.87
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C2CCCC2=C1	REAL300018278840	0	46	-1.0	-51.02	367.09	10.54	-40.48
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COC1=C(CNC2=CC(C(=O)[O-])=CC=C2OC(C)C)SC=C1	REAL300018278845	0	40	-1.0	-54.30	341.67	7.03	-47.27
CC(C)COC1=CC=CC(CNC2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300018278846	0	52	-1.0	-51.95	414.51	10.35	-41.60
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C(F)C2=CC=CC=C12	REAL300018278847	0	45	-1.0	-50.04	369.93	10.77	-39.27
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCCC1CCOCC1	REAL300018278849	0	46	-1.0	-50.72	354.99	7.18	-43.54
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1CCSCC1	REAL300018278850	0	43	-1.0	-50.04	343.41	8.74	-41.30
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1CCCCCC1	REAL300018278851	0	48	-1.0	-49.99	355.22	9.48	-40.51
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1OC(C)(C)C2	REAL300018278852	0	50	-1.0	-55.54	398.76	9.85	-45.69
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=NC2=C(CCCC2)S1	REAL300018278853	0	45	-1.0	-52.10	370.09	8.37	-43.73
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=NC=C1Br	REAL300018278854	0	38	-1.0	-50.21	335.20	7.39	-42.82
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=NC=C1Cl	REAL300018278855	0	38	-1.0	-50.35	331.31	7.27	-43.08
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC(F)=CC(Br)=C1	REAL300018278856	0	39	-1.0	-47.99	349.28	9.32	-38.67
CC1=CC(CNC2=CC(C(=O)[O-])=CC=C2OC(C)C)=NN1C	REAL300018278857	0	42	-1.0	-55.19	343.91	6.79	-48.40
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(C)CC1=CC=C(F)C=C1Cl	REAL300018278858	0	45	-1.0	-53.86	381.70	10.71	-43.15
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=CC(N2C=CC=N2)=C1	REAL300018278860	0	46	-1.0	-57.49	379.91	9.83	-47.66
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC2=CC=NC=C2C=C1	REAL300018278863	0	44	-1.0	-51.73	362.55	9.11	-42.62
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CN=C2CCCN12	REAL300018278865	0	43	-1.0	-54.22	347.55	8.21	-46.01
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CCN(S(C)(=O)=O)CC1	REAL300018278866	0	47	-1.0	-55.45	376.82	4.65	-50.80
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C(F)C=N1	REAL300018278867	0	38	-1.0	-50.75	322.95	6.87	-43.88
CC1=C(CNC2=CC(C(=O)[O-])=CC=C2OC(C)C)SC=N1	REAL300018278868	0	38	-1.0	-50.24	325.87	6.38	-43.86
COC1=CC(F)=CC(CNC2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300018278869	0	43	-1.0	-50.34	357.46	8.00	-42.34
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(C)CC1=CN=CC=N1	REAL300018278870	0	43	-1.0	-55.63	348.75	7.07	-48.56
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CN=C(C(C)(C)C)N=C1	REAL300018278871	0	49	-1.0	-49.85	393.17	8.60	-41.25
COC1=CC=CC=C1N1CCC(NC2=CC(C(=O)[O-])=CC=C2OC(C)C)CC1	REAL300018278872	0	55	-1.0	-53.58	424.48	8.74	-44.84
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018278874	0	41	-1.0	-50.00	362.24	9.67	-40.33
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCCC1=CC=CC(Cl)=C1	REAL300018278875	0	42	-1.0	-51.76	359.80	9.91	-41.85
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC2=CC=CN=C21	REAL300018278878	0	44	-1.0	-55.76	378.34	9.63	-46.13
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=C(Cl)C=CC2=CC=CN=C21	REAL300018278879	0	44	-1.0	-59.51	375.33	9.56	-49.95
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C(S(C)=O)C=C1	REAL300018278880	0	44	-1.0	-60.92	373.76	7.23	-53.69
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300018278881	0	41	-1.0	-50.05	364.17	9.72	-40.33
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300018278882	0	46	-1.0	-55.97	396.31	10.69	-45.28
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CCOC(C(C)C)C1	REAL300018278886	0	49	-1.0	-49.57	368.72	8.17	-41.40
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C2CCCCC2=C1	REAL300018278887	0	49	-1.0	-50.86	384.26	11.12	-39.74
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CCC(C2CCCCC2)CC1	REAL300018278888	0	58	-1.0	-51.54	420.18	11.83	-39.71
CC(C)CC(C)CC(C)NC1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300018278889	0	53	-1.0	-50.79	397.29	10.48	-40.31
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=CC(OC(C)(C)C)=C1	REAL300018278893	0	52	-1.0	-52.83	404.69	9.89	-42.94
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC(C)C1CCCCC1	REAL300018278894	0	51	-1.0	-50.55	378.48	10.10	-40.45
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C(S(N)(=O)=O)C=C1	REAL300018278895	0	44	-1.0	-56.11	375.81	3.59	-52.52
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CCC2=CC=CC(Cl)=C2C1	REAL300018278896	0	46	-1.0	-55.43	375.00	10.77	-44.66
CCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC=C2OC(C)C)C(C)=C1	REAL300018278897	0	49	-1.0	-50.78	390.04	9.58	-41.20
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Cl)=C1N	REAL300018278899	0	41	-1.0	-47.58	364.57	7.64	-39.94
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CCC(C2=CC=C(F)C=C2)C1	REAL300018278900	0	49	-1.0	-50.99	388.03	11.22	-39.77
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COCC1=CSC(CNC2=CC(C(=O)[O-])=CC=C2OC(C)C)=C1	REAL300018278902	0	43	-1.0	-51.40	367.09	7.45	-43.95
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=NC=CN1C(C)C	REAL300018278905	0	45	-1.0	-53.13	362.42	8.41	-44.72
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=C2OC=CC2=CC=C1	REAL300018278910	0	42	-1.0	-54.89	348.90	8.96	-45.93
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=NN(C2=CC=CC=C2)C=C1	REAL300018278911	0	46	-1.0	-55.99	380.44	9.74	-46.25
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CN=C(C(F)(F)F)S1	REAL300018278912	0	38	-1.0	-47.92	347.62	7.05	-40.87
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC2=CC=C(Cl)C=C2C1	REAL300018278917	0	43	-1.0	-51.25	360.79	10.36	-40.89
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC2=C(C=N1)OCCO2	REAL300018278920	0	44	-1.0	-53.78	360.98	5.97	-47.81
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CN=C2C=CC(Cl)=CN12	REAL300018278921	0	42	-1.0	-51.21	365.13	9.56	-41.65
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1C[C@@H]2CC[C@@H](C2)C1	REAL300018278922	0	46	-1.0	-51.94	332.31	10.34	-41.60
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018278927	0	45	-1.0	-54.53	380.89	8.52	-46.01
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC(C(F)(F)F)=NN1	REAL300018278928	0	39	-1.0	-48.11	342.61	5.96	-42.15
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC2=C(F)C=CC=C2N1	REAL300018278930	0	43	-1.0	-51.77	359.94	8.63	-43.14
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC2=CC=C(F)C=C2N1	REAL300018278931	0	43	-1.0	-49.35	359.86	8.63	-40.72
CCOC1=CC=CC(CNC2=CC(C(=O)[O-])=CC=C2OC(C)C)=N1	REAL300018278932	0	45	-1.0	-52.67	370.57	6.21	-46.46
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC2=CC=NC=C2S1	REAL300018278934	0	41	-1.0	-50.46	353.67	8.38	-42.08
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(C)CCC1=NNC2=CC=CC=C21	REAL300018278936	0	51	-1.0	-55.09	410.03	9.59	-45.50
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CCCC(C(C)C)C1	REAL300018278944	0	51	-1.0	-51.27	378.33	9.93	-41.34
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC(C)CC(C2=CC=CC=C2)C1	REAL300018278965	0	55	-1.0	-51.90	402.23	12.62	-39.28
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC(C(C)(C)C)C1	REAL300018278967	0	48	-1.0	-50.32	361.74	9.27	-41.05
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=NC2=CC=C(F)C=C2S1	REAL300018278968	0	41	-1.0	-50.46	359.65	8.15	-42.31
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC(C2CC2)=NN1C	REAL300018278973	0	46	-1.0	-50.16	373.87	8.28	-41.88
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(C)C(C)C1=CC=CC=C1	REAL300018278976	0	48	-1.0	-52.32	376.05	10.58	-41.74
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC2=C(C1)C1=CC=CC=C1N2	REAL300018278977	0	47	-1.0	-50.65	375.99	9.86	-40.79
COC1=CC=CC2=C(CNC3=CC(C(=O)[O-])=CC=C3OC(C)C)C=CC=C12	REAL300018278978	0	49	-1.0	-52.57	392.77	10.09	-42.48
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=NN1CC1CC1	REAL300018278979	0	46	-1.0	-49.38	375.63	8.63	-40.75
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(C)CCC1=CC=CN=C1	REAL300018278980	0	47	-1.0	-52.08	377.62	9.21	-42.87
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=CC(C(C)C)=C1	REAL300018278981	0	48	-1.0	-50.63	381.77	10.55	-40.08
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C(S(N)(=O)=O)O1	REAL300018278982	0	41	-1.0	-56.08	358.91	1.77	-54.31
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CCC2(CCOCC2)CC1	REAL300018278984	0	53	-1.0	-51.95	382.49	8.34	-43.61
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NCCC1=CC=C(F)C=C1Cl	REAL300018278987	0	42	-1.0	-52.34	362.02	9.85	-42.49
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CN(C)C1=NC=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)N1C	REAL300018279678	1	43	-1.0	-46.08	363.08	8.19	-37.89
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CCN1C=NC=C1CNC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279696	1	38	-1.0	-47.02	327.73	8.94	-38.08
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CC(C)(C)C1=NC=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300018279704	1	45	-1.0	-44.44	381.83	8.75	-35.69
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COCC1=CC=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300018279717	1	39	-1.0	-46.76	347.61	6.83	-39.93
CC1=CN=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300018279719	0	34	-1.0	-47.08	308.63	4.39	-42.69
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COC1=CC(C)=CC=C1CNC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279722	1	42	-1.0	-47.52	360.61	8.82	-38.70
CC1=NC(C)=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300018279723	1	37	-1.0	-46.13	329.53	5.02	-41.11
CC1=CC=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)N=C1	REAL300018279726	1	37	-1.0	-47.05	327.70	7.63	-39.42
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CC(C)N1C=CN=C1CNC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279728	0	41	-1.0	-46.72	352.15	8.62	-38.10
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COC1=NC=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300018279737	1	35	-1.0	-44.48	328.74	4.43	-40.05
CC1=NC=CN=C1CNC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279739	1	36	-1.0	-46.50	318.16	5.66	-40.84
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CCN1N=CN=C1CNC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279744	0	37	-1.0	-45.62	324.21	8.01	-37.61
CN1C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=CN=C1Cl	REAL300018279745	1	35	-1.0	-45.04	327.56	7.70	-37.34
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CC1=CN=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)N1C	REAL300018279747	0	38	-1.0	-47.52	331.49	7.70	-39.82
CCOC1=CC=CC(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279750	1	41	-1.0	-47.61	360.28	6.41	-41.20
CC1=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)SN=N1	REAL300018279761	1	33	-1.0	-43.76	310.39	5.99	-37.77
COC1=C(C)C=NC(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1C	REAL300018279762	1	44	-1.0	-47.33	373.32	7.60	-39.73
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COC1=NSC(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279768	1	35	-1.0	-43.58	327.52	4.71	-38.87
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CCOC1=CN=CC(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279774	1	41	-1.0	-45.42	356.49	7.19	-38.23
CN1N=C(C2CC2)C=C1CNC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279777	1	42	-1.0	-44.81	363.07	8.50	-36.31
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CN1N=CN=C1CNC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279785	0	34	-1.0	-46.26	306.02	7.09	-39.17
CCC1=CNC(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279788	0	38	-1.0	-48.19	334.25	6.97	-41.22
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CC1=C(C)NC(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279792	0	38	-1.0	-48.50	331.82	6.71	-41.79
CN1C=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)C(C(F)F)=N1	REAL300018279799	1	38	-1.0	-51.44	347.61	7.42	-44.02
CCCN1N=CC=C1CNC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279805	1	41	-1.0	-44.39	350.59	8.11	-36.28
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CN(C)CC1=NC(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=CS1	REAL300018279819	0	42	-1.0	-47.83	372.48	5.30	-42.53
CCC1=CN=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300018279828	0	37	-1.0	-46.04	339.47	7.53	-38.51
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CC1(C2=CC(CNC(CC(=O)[O-])C3=CC=CC(Br)=C3)=NO2)CC1	REAL300018279838	0	41	-1.0	-47.51	358.43	8.98	-38.53
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O=C([O-])CC(NCC1=NC2=C(CCCC2)N1)C1=CC=CC(Br)=C1	REAL300018279854	0	42	-1.0	-47.08	354.41	7.97	-39.11
CCN1C=CC(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279858	0	38	-1.0	-49.27	335.70	7.38	-41.89
CCCN1C=CC(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279861	0	41	-1.0	-50.03	356.74	8.16	-41.87
CC(C)N1C=CC(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279862	0	41	-1.0	-49.87	353.91	7.90	-41.97
CN1C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=NC2=C1CCCC2	REAL300018279864	0	45	-1.0	-48.71	373.90	9.51	-39.20
CC1=CC=CC(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279865	1	37	-1.0	-47.34	327.44	7.59	-39.75
O=C([O-])CC(NCC1=CC2=CC=CC=C2C=N1)C1=CC=CC(Br)=C1	REAL300018279866	1	40	-1.0	-49.57	352.00	9.24	-40.33
COC1=NC(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=CC=C1C	REAL300018279867	1	41	-1.0	-47.63	358.05	6.22	-41.41
O=C([O-])CC(NCC1=CC2=C(CCCC2)O1)C1=CC=CC(Br)=C1	REAL300018279869	1	42	-1.0	-46.09	355.02	9.66	-36.43
CCC(C)N1N=CC=C1CNC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279870	1	44	-1.0	-43.50	371.52	8.56	-34.94
O=C([O-])CC(NCC1=NC2=CC=CC=C2S1)C1=CC=CC(Br)=C1	REAL300018279873	1	37	-1.0	-47.72	342.84	8.30	-39.42
CCCN1C=NC=C1CNC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279876	1	41	-1.0	-46.77	349.23	9.68	-37.09
CCC1=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)C=NN1CC	REAL300018279877	1	44	-1.0	-46.18	375.12	8.80	-37.38
CCC1=CC=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)N=C1	REAL300018279882	1	40	-1.0	-47.90	348.74	8.39	-39.51
O=C([O-])CC(NCC1=CC=NN1CC(F)F)C1=CC=CC(Br)=C1	REAL300018279885	1	38	-1.0	-44.90	342.31	7.63	-37.27
O=C([O-])CC(NCC1=NN(C2CCC2)C=C1)C1=CC=CC(Br)=C1	REAL300018279887	0	42	-1.0	-49.34	356.84	8.41	-40.93
O=C([O-])CC(NCC1=NN(CC(F)F)C=C1)C1=CC=CC(Br)=C1	REAL300018279888	0	38	-1.0	-49.52	348.24	7.68	-41.84
CC1=CN(C)C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279889	0	38	-1.0	-48.03	332.75	7.80	-40.23
O=C([O-])CC(NCC1=NN(C2CCCC2)C=C1)C1=CC=CC(Br)=C1	REAL300018279891	0	45	-1.0	-49.26	376.62	9.17	-40.09
CC1=NN(C2CCC2)C=C1CNC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279894	1	45	-1.0	-46.20	379.69	9.13	-37.07
C=CCN1C=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300018279901	1	39	-1.0	-47.49	348.00	8.03	-39.46
CCCN1N=CC(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1C	REAL300018279907	1	44	-1.0	-46.51	374.89	8.64	-37.87
CCCN1N=C(C)C=C1CNC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279909	1	44	-1.0	-44.03	371.36	8.64	-35.39
CC(C)(C)C1=NC=C(CNC(CC(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300018279910	0	43	-1.0	-45.02	370.37	6.33	-38.69
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=CC(Cl)=CC3=C2OCC3)=C1	REAL300018279911	1	48	-1.0	-54.26	398.89	8.04	-46.22
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=CN(CC3=CC=CN=C3)N=N2)=C1	REAL300018279913	0	51	-1.0	-61.68	422.06	5.91	-55.77
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=NC=C(C(C)C)S2)=C1	REAL300018279916	0	48	-1.0	-49.86	390.33	6.13	-43.73
COC1=CC(CN(CC(=O)[O-])CC2=CN3C=C(C)C=CC3=N2)=CC(OC)=C1	REAL300018279920	0	49	-1.0	-62.35	397.34	8.49	-53.86
COC1=CC(CN(CC(=O)[O-])CC2=NN(C)N=N2)=CC(OC)=C1	REAL300018279921	0	41	-1.0	-57.49	341.08	3.17	-54.32
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=NC=C(CN(C)C)S2)=C1	REAL300018279923	0	50	-1.0	-49.34	403.36	3.54	-45.80
COCC1=CC(CN(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)=NO1	REAL300018279924	0	46	-1.0	-58.98	373.48	4.13	-54.85
COC1=CC(CN(CC(=O)[O-])CC2=C(C)C=NN2C)=CC(OC)=C1	REAL300018279926	1	46	-1.0	-48.78	355.59	4.73	-44.05
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=CN(C(C)C)N=N2)=C1	REAL300018279927	0	48	-1.0	-59.94	386.13	5.21	-54.73
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=NOC(CN(C)C)=C2)=C1	REAL300018279928	0	50	-1.0	-58.19	395.05	3.89	-54.30
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=CN(C3=CC=CC=C3C)N=N2)=C1	REAL300018279929	0	52	-1.0	-61.18	416.98	7.80	-53.38
COC1=CC(CN(CC(=O)[O-])CC2=CC=CN=C2N(C)C)=CC(OC)=C1	REAL300018279930	1	50	-1.0	-52.18	397.37	6.64	-45.54
COC1=CC(CN(CC(=O)[O-])CC2=CN=CC=N2)=CC(OC)=C1	REAL300018279931	0	41	-1.0	-55.67	331.70	3.36	-52.31
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=CC(F)=CC=C2OC)=C1	REAL300018279933	1	47	-1.0	-51.60	380.44	7.20	-44.40
COC1=CC(CN(CC(=O)[O-])CC2=CN(CC(F)F)N=C2)=CC(OC)=C1	REAL300018279934	1	46	-1.0	-54.36	379.50	5.70	-48.66
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=CON=C2C)=C1	REAL300018279937	1	42	-1.0	-50.73	342.61	5.32	-45.41
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=NC=C(C)S2)=C1	REAL300018279939	0	42	-1.0	-49.73	348.47	4.70	-45.03
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=CC=C3CCCC3=N2)=C1	REAL300018279940	1	49	-1.0	-60.81	382.52	7.12	-53.69
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=CC=NN2C2CCCC2)=C1	REAL300018279941	0	53	-1.0	-49.91	398.22	6.89	-43.02
CCN1N=CC(CN(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)=N1	REAL300018279942	0	45	-1.0	-56.53	367.76	4.37	-52.16
COC1=CC(CN(CC(=O)[O-])CC2=CC=C(C)N=N2)=CC(OC)=C1	REAL300018279944	1	44	-1.0	-62.89	353.90	4.70	-58.19
COC1=CC(CN(CC(=O)[O-])CC2=CN=NN2C2=CC=CC=C2)=CC(OC)=C1	REAL300018279946	0	49	-1.0	-51.79	390.30	7.66	-44.13
CCCCOC1=CC=CC=C1CN(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300018279948	1	56	-1.0	-54.04	436.19	8.64	-45.40
COC1=CC(CN(CC(=O)[O-])CC2=CN(C)N=C2)=CC(OC)=C1	REAL300018279958	1	43	-1.0	-50.45	344.98	4.56	-45.89
COC1=CC(CN(CC(=O)[O-])CC2=C(Cl)N(C)N=C2C)=CC(OC)=C1	REAL300018279959	0	46	-1.0	-50.98	376.70	5.29	-45.69
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COC1=CC(CN(CC(=O)[O-])CC2=CSN=N2)=CC(OC)=C1	REAL300018279963	0	38	-1.0	-55.97	327.48	3.80	-52.17
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CCN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282554	1	35	-1.0	-50.04	314.35	8.70	-41.34
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CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)C=N1	REAL300018282563	1	42	-1.0	-44.71	368.04	8.51	-36.20
CC1=NOC(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282564	0	31	-1.0	-48.33	294.64	6.71	-41.62
CC1=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)C=CO1	REAL300018282565	1	32	-1.0	-44.83	298.48	7.30	-37.53
CC1=CC=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)C(Cl)=C1	REAL300018282566	1	35	-1.0	-46.45	332.01	9.64	-36.81
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COCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)O1	REAL300018282579	0	36	-1.0	-46.79	334.09	6.52	-40.27
CC1=CN=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)O1	REAL300018282583	0	31	-1.0	-49.93	295.17	4.07	-45.86
CC1=CNC(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300018282585	0	32	-1.0	-43.04	297.53	5.82	-37.22
COC1=CC(C)=CC=C1CNC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282587	1	39	-1.0	-49.05	346.15	8.54	-40.51
CC1=NC(C)=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)O1	REAL300018282589	0	34	-1.0	-44.92	313.30	4.59	-40.33
CC1=CC=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)N=C1	REAL300018282592	1	34	-1.0	-44.42	312.60	7.31	-37.11
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CC(C)N1C=CN=C1CNC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282594	0	38	-1.0	-53.58	338.57	8.34	-45.24
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COC1=NC=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)S1	REAL300018282605	0	32	-1.0	-41.96	313.82	4.06	-37.90
CC1=NC=CN=C1CNC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282607	1	33	-1.0	-43.23	303.28	5.26	-37.97
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CCOC1=CC=CC(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300018282619	1	38	-1.0	-52.14	345.44	6.13	-46.01
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CN1C=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)C(C(F)F)=N1	REAL300018282677	1	35	-1.0	-51.19	324.73	7.29	-43.90
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CCCN1N=CC=C1CNC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282684	1	38	-1.0	-39.86	334.47	7.73	-32.13
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CN(C)CC1=NC(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)=CS1	REAL300018282699	0	39	-1.0	-45.92	360.07	5.25	-40.67
CC1CCC2=C(C1)SC(CNC(C(=O)[O-])C1=CC=C(Br)C=C1)=N2	REAL300018282712	0	41	-1.0	-43.04	364.56	8.79	-34.25
CCC1=CN=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)S1	REAL300018282713	0	34	-1.0	-45.05	325.90	7.24	-37.81
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CC1(C2=CC(CNC(C(=O)[O-])C3=CC=C(Br)C=C3)=NO2)CC1	REAL300018282723	0	38	-1.0	-45.39	345.10	8.71	-36.68
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CC1=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)NN=C1C(F)(F)F	REAL300018282739	1	35	-1.0	-41.42	335.25	6.43	-34.99
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CCN1C=CC(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300018282751	0	35	-1.0	-47.50	320.74	7.03	-40.47
CC1=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)OC2=CC=C(F)C=C12	REAL300018282755	0	38	-1.0	-44.30	352.47	9.73	-34.57
CCCN1C=CC(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300018282756	0	38	-1.0	-49.67	343.67	7.84	-41.83
CC(C)N1C=CC(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300018282757	0	38	-1.0	-49.25	340.59	7.65	-41.60
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CN1C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)=NC2=C1CCCC2	REAL300018282760	0	42	-1.0	-51.60	359.05	9.13	-42.47
CC1=CC=CC(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300018282761	1	34	-1.0	-44.96	312.75	7.28	-37.68
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COC1=NC(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)=CC=C1C	REAL300018282763	1	38	-1.0	-45.75	344.83	5.96	-39.79
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CCOC1=CC=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282766	1	39	-1.0	-48.07	364.53	9.34	-38.73
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CCC(C)N1N=CC=C1CNC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282768	1	41	-1.0	-40.43	355.86	8.21	-32.22
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CCCN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282776	1	38	-1.0	-50.01	336.05	9.41	-40.60
CC1=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)C(C(F)(F)F)=CO1	REAL300018282781	1	35	-1.0	-41.75	336.88	8.24	-33.51
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)N=C1	REAL300018282788	1	37	-1.0	-46.87	335.66	8.09	-38.78
CC1=NN(C2CCCC2)C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282792	1	45	-1.0	-41.34	382.73	9.51	-31.83
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CN1N=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1C1=CC=CO1	REAL300018282804	0	39	-1.0	-46.88	357.81	7.81	-39.07
CC1=NN(C2CCC2)C=C1CNC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282805	1	42	-1.0	-48.69	367.25	8.86	-39.83
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C=CCN1C=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)C=N1	REAL300018282816	1	36	-1.0	-45.36	332.40	7.67	-37.69
COC1=C2C=CNC2=CC=C1CNC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282824	1	40	-1.0	-55.24	359.06	7.89	-47.35
CCCN1N=C(C)C=C1CNC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282827	1	41	-1.0	-45.80	363.73	8.38	-37.42
CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(Br)C=C2)O1	REAL300018282828	0	40	-1.0	-42.93	355.53	5.94	-36.99
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CN1C=C(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)C(C2CCCCC2)=N1	REAL300018282833	1	51	-1.0	-44.59	397.50	9.78	-34.81
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CC(C)C1=CN=C(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300018282836	0	40	-1.0	-42.66	337.73	7.59	-35.07
O=C([O-])CN(CC1=C(Br)C=CS1)CC1=CC=C(F)C=C1	REAL300018282839	0	32	-1.0	-45.35	300.60	8.25	-37.10
O=C([O-])CN(CC1=CC=C(F)C=C1)CC1=CC(Br)=CC2=C1OCC2	REAL300018282840	1	40	-1.0	-46.71	347.37	8.68	-38.03
CC1=CN2C=C(CN(CC(=O)[O-])CC3=CC=C(F)C=C3)N=C2C=C1	REAL300018282842	0	41	-1.0	-58.71	338.62	9.65	-49.06
O=C([O-])CN(CC1=CC=C(F)C=C1)CC1=C(F)C=CC=C1OC(F)(F)F	REAL300018282844	0	39	-1.0	-47.28	335.28	8.16	-39.12
CN(C)CC1=CN=C(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300018282846	0	42	-1.0	-42.54	351.03	4.92	-37.62
COCC1=CC(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)=NO1	REAL300018282847	0	38	-1.0	-52.50	320.89	5.59	-46.91
CC(C)N1C=C(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)N=N1	REAL300018282849	0	40	-1.0	-43.14	325.39	6.01	-37.13
CN(C)CC1=CC(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)=NO1	REAL300018282850	0	42	-1.0	-51.35	343.48	5.40	-45.95
CC1=CC=CC=C1N1C=C(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)N=N1	REAL300018282851	0	44	-1.0	-58.06	359.17	8.95	-49.11
CN(C)C1=NC=CC=C1CN(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282852	1	42	-1.0	-46.92	344.64	8.17	-38.75
CN(C)C1=CC(Cl)=CC(Cl)=C1CN(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282854	0	43	-1.0	-41.83	373.63	9.98	-31.85
COC1=CC=C(F)C=C1CN(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282856	1	39	-1.0	-48.29	325.16	7.65	-40.64
O=C([O-])CN(CC1=CN(CC(F)F)N=C1)CC1=CC=C(F)C=C1	REAL300018282857	1	38	-1.0	-47.73	327.10	7.15	-40.58
O=C([O-])CN(CC1=CC=C(F)C=C1)CC1=C(Cl)C=CC=C1N1CCOCC1	REAL300018282860	1	48	-1.0	-46.01	367.43	9.12	-36.89
CC1=C(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)N2C(C3CC3)=CSC2=N1	REAL300018282862	1	45	-1.0	-48.40	367.16	10.01	-38.39
O=C([O-])CN(CC1=CC=NN1C1CCCC1)CC1=CC=C(F)C=C1	REAL300018282865	1	45	-1.0	-45.65	354.04	8.58	-37.07
CC1=NN(C2=CC=CC(F)=C2)C=C1CN(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282867	1	45	-1.0	-49.36	366.16	9.79	-39.57
O=C([O-])CN(CC1=CN=NN1C1=CC=CC=C1)CC1=CC=C(F)C=C1	REAL300018282869	0	41	-1.0	-48.50	335.18	9.17	-39.33
O=C([O-])CN(CC1=CC=C(F)C=C1)CC1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300018282871	1	45	-1.0	-46.93	381.31	8.49	-38.44
O=C([O-])CN(CC1=CSC(C2=CC=C(F)C=C2)=N1)CC1=CC=C(F)C=C1	REAL300018282882	0	41	-1.0	-51.53	361.19	9.41	-42.12
CC1=NN(C)C(Cl)=C1CN(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282883	0	38	-1.0	-45.17	323.99	6.73	-38.44
O=C([O-])CN(CC1=CC=C(F)C=C1)CC1=CC=CC2=C1OCO2	REAL300018282886	1	38	-1.0	-44.52	316.34	6.90	-37.62
COC1=NC2=CC=CC=C2C=C1CN(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282887	1	44	-1.0	-46.06	361.65	7.14	-38.92
O=C([O-])CN(CC1=CC=C(F)C=C1)CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300018282888	1	38	-1.0	-43.17	344.37	9.82	-33.35
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O=C([O-])CN(CC1=CC=C(F)C=C1)CC1=CC(Cl)=CC=C1F	REAL300018282895	1	35	-1.0	-43.14	312.63	8.79	-34.35
CC1=NN(C(C)(C)C)C(C)=C1CN(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282898	1	50	-1.0	-49.63	374.64	8.47	-41.16
CC1=CC=C(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)C(Br)=C1	REAL300018282900	0	38	-1.0	-43.18	330.18	9.41	-33.77
O=C([O-])CN(CC1=CC=C(F)C=C1)CC1=NC=CC=C1C(F)(F)F	REAL300018282902	1	37	-1.0	-48.36	317.18	7.85	-40.51
O=C([O-])CN(CC1=CN=C2C=NC=CN12)CC1=CC=C(F)C=C1	REAL300018282907	1	37	-1.0	-42.73	303.83	6.70	-36.03
CC1=CN2C(CN(CC(=O)[O-])CC3=CC=C(F)C=C3)=CN=C2C=C1	REAL300018282908	1	41	-1.0	-51.76	336.02	9.13	-42.63
CN1C2=CC(Cl)=CC=C2N=C1CN(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282910	0	41	-1.0	-51.73	352.54	9.05	-42.68
CC1=NN2C(=NC(C)=C2CN(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300018282913	1	40	-1.0	-48.94	338.06	7.19	-41.75
CN1C2=CC=C(Cl)C=C2N=C1CN(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282915	0	41	-1.0	-54.63	353.77	9.18	-45.45
COC1=CC(Cl)=C(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1Cl	REAL300018282917	0	39	-1.0	-43.62	350.22	8.53	-35.09
O=C([O-])CN(CC1=CC=C(F)C=C1)CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300018282918	1	44	-1.0	-43.89	365.24	9.95	-33.94
CC1(C)CCC2=C(C1)SC(CN(CC(=O)[O-])CC1=CC=C(F)C=C1)=N2	REAL300018282920	0	47	-1.0	-51.59	373.00	9.02	-42.57
O=C([O-])CN(CC1=CN=C(C2CCCO2)S1)CC1=CC=C(F)C=C1	REAL300018282921	0	42	-1.0	-48.26	353.37	6.46	-41.80
COC1=C(Br)C=C(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300018282922	1	36	-1.0	-42.09	332.52	7.45	-34.64
O=C([O-])CN(CC1=CC=C(F)C=C1)CC1=CN=CC(Br)=C1	REAL300018282924	1	34	-1.0	-42.54	304.26	7.00	-35.54
CCN1N=C(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)C2=CC=CC=C21	REAL300018282925	1	44	-1.0	-48.32	356.48	8.81	-39.51
O=C([O-])CN(CC1=NC=C(Cl)S1)CC1=CC=C(F)C=C1	REAL300018282926	0	31	-1.0	-38.94	291.06	5.99	-32.95
CCS(=O)(=O)C1=C(Cl)C=CC=C1CN(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282932	0	44	-1.0	-55.09	373.80	7.99	-47.10
COC1=C(Br)C=CC=C1CN(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282935	1	39	-1.0	-41.93	339.41	9.54	-32.39
COC1=CC=C(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)C=N1	REAL300018282937	1	38	-1.0	-46.29	314.98	4.83	-41.46
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CC1=CC(Cl)=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286537	1	35	-1.0	-47.51	323.45	9.27	-38.24
COCC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286538	1	39	-1.0	-47.79	341.64	7.88	-39.91
O=C([O-])C(NCC1=CC2=CC=CC(F)=C2N=C1)C1=CC(F)=CC=C1F	REAL300018286540	1	37	-1.0	-46.64	333.73	8.57	-38.07
CC1=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC2=CC=CN=C12	REAL300018286541	1	40	-1.0	-52.35	348.20	9.25	-43.10
CCCOC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1C	REAL300018286543	1	45	-1.0	-50.70	379.89	9.84	-40.86
COC1=C(C)C=NC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1C	REAL300018286544	0	41	-1.0	-50.73	347.69	6.95	-43.78
COC1=CC2=CC=CC=C2C=C1CNC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286545	0	42	-1.0	-54.58	361.06	9.68	-44.90
CS(=O)(=O)C1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300018286546	0	35	-1.0	-58.01	340.04	4.74	-53.27
O=C([O-])C(NCC1=C2N=CC(Br)=CN2N=C1)C1=CC(F)=CC=C1F	REAL300018286547	0	34	-1.0	-52.72	330.86	7.60	-45.12
CC(C)(C)C1=CC=C(C2=CC=C(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)O2)C=C1	REAL300018286548	0	51	-1.0	-46.21	421.58	12.36	-33.85
NC1=C(F)C=CC=C1CNC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286549	0	34	-1.0	-43.09	298.91	6.31	-36.78
O=C([O-])C(NCC1=CC=C(C(F)F)C=C1)C1=CC(F)=CC=C1F	REAL300018286551	1	35	-1.0	-49.42	317.69	8.94	-40.48
O=C([O-])C(NCC1=CC2=CC(Cl)=CN=C2O1)C1=CC(F)=CC=C1F	REAL300018286552	0	34	-1.0	-43.71	324.66	6.13	-37.58
O=C([O-])C(NCC1=CC=CC2=C1CCC2)C1=CC(F)=CC=C1F	REAL300018286553	1	39	-1.0	-48.85	330.79	9.97	-38.88
O=C([O-])C(NCC1=NC(Cl)=CS1)C1=CC(F)=CC=C1F	REAL300018286554	0	28	-1.0	-52.74	287.08	5.66	-47.08
COC1=NSC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286555	0	32	-1.0	-46.20	302.81	3.99	-42.21
O=C([O-])C(NCC1=CN=C2C=CC(Br)=CN12)C1=CC(F)=CC=C1F	REAL300018286556	0	35	-1.0	-48.45	333.62	9.12	-39.33
O=C([O-])C(NCC1=NC=CC2=CC=CC=C21)C1=CC(F)=CC=C1F	REAL300018286557	0	37	-1.0	-52.63	322.97	8.45	-44.18
CCN(C1=CC=CC=C1)C1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286558	1	50	-1.0	-46.86	421.30	12.86	-34.00
CCN(CC)C1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1F	REAL300018286559	1	46	-1.0	-48.16	386.23	9.11	-39.05
COC1=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C(SC)C=C1OC	REAL300018286560	0	44	-1.0	-49.16	381.59	8.19	-40.97
O=C([O-])C(NCC1=CN=C(C2CC2)O1)C1=CC(F)=CC=C1F	REAL300018286564	0	35	-1.0	-45.52	313.95	5.46	-40.06
O=C([O-])C(NCC1=NC2=CC=C(F)C=C2S1)C1=CC(F)=CC=C1F	REAL300018286565	0	34	-1.0	-52.37	324.83	7.57	-44.80
COC1=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC2=CC=CC=C21	REAL300018286566	1	42	-1.0	-51.63	359.98	9.68	-41.95
CCOC1=CN=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286567	0	38	-1.0	-51.32	333.04	6.45	-44.87
CCOC1=CC(F)=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286568	0	39	-1.0	-46.03	344.34	8.44	-37.59
CN1N=C(C2CC2)C=C1CNC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286570	0	39	-1.0	-49.81	337.64	7.76	-42.05
COC1=CC=CC2=C(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)C=CC=C12	REAL300018286575	1	42	-1.0	-51.48	355.07	9.56	-41.92
O=C([O-])C(NCC1=CC=NN1CC1CC1)C1=CC(F)=CC=C1F	REAL300018286576	0	39	-1.0	-48.79	340.84	8.15	-40.64
CC(C)C1=CC=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286578	1	41	-1.0	-47.15	346.68	10.00	-37.15
NS(=O)(=O)C1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)O1	REAL300018286579	0	34	-1.0	-53.84	323.67	1.26	-52.58
COC1=CN=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1C	REAL300018286582	0	38	-1.0	-49.80	324.22	6.23	-43.57
O=C([O-])C(NCC1=CC2=CN=CC=C2O1)C1=CC(F)=CC=C1F	REAL300018286584	0	34	-1.0	-47.77	307.92	6.89	-40.88
O=C([O-])C(NCC1=CC=C(C(F)(F)F)S1)C1=CC(F)=CC=C1F	REAL300018286585	0	32	-1.0	-47.03	316.36	8.38	-38.65
CC1=C2C=C(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)NC2=CC=C1	REAL300018286586	1	39	-1.0	-50.30	338.33	8.66	-41.64
O=C([O-])C(NCC1=CSC(C(F)(F)F)=C1)C1=CC(F)=CC=C1F	REAL300018286588	0	32	-1.0	-44.04	316.93	8.27	-35.77
CCCOC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1	REAL300018286589	1	45	-1.0	-50.93	374.80	9.69	-41.24
COC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OC1CC1	REAL300018286590	1	44	-1.0	-49.09	376.24	8.95	-40.14
O=C([O-])C(NCC1=CC=C(C(F)F)N=C1)C1=CC(F)=CC=C1F	REAL300018286592	0	34	-1.0	-43.15	314.65	7.24	-35.91
O=C([O-])C(NCC1=NC=C(Br)S1)C1=CC(F)=CC=C1F	REAL300018286594	0	28	-1.0	-45.74	293.06	6.02	-39.72
CN1C=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C(F)F)=N1	REAL300018286597	0	35	-1.0	-49.42	322.86	6.69	-42.73
CC(NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018286599	0	44	-1.0	-54.19	374.65	10.56	-43.63
O=C([O-])C(NCC1=CC=CC2=C1CCOC2)C1=CC(F)=CC=C1F	REAL300018286601	1	40	-1.0	-47.33	332.14	8.11	-39.22
NS(=O)(=O)C1=CC=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286604	0	37	-1.0	-50.86	340.49	3.08	-47.78
CCCN1N=CC=C1CNC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286605	0	38	-1.0	-42.68	324.47	7.36	-35.32
CC1=CC=C2C=C(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)NC2=C1	REAL300018286606	1	39	-1.0	-48.17	338.75	8.67	-39.50
O=C([O-])C(NCC1=C2CCCN2N=C1)C1=CC(F)=CC=C1F	REAL300018286607	0	36	-1.0	-47.99	311.72	6.76	-41.23
O=C([O-])C(NCC1=NN2CCCC2=C1)C1=CC(F)=CC=C1F	REAL300018286608	0	36	-1.0	-52.22	311.76	6.67	-45.55
O=C([O-])C(NCC1=NC=C(C(F)(F)F)S1)C1=CC(F)=CC=C1F	REAL300018286609	0	31	-1.0	-44.07	310.88	6.46	-37.61
O=C([O-])C(NCC1=CC2=CC=CN=C2O1)C1=CC(F)=CC=C1F	REAL300018286611	0	34	-1.0	-59.50	309.61	5.53	-53.97
CC1=CC(C)=CC(C2=CC=C(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)C=C2)=C1	REAL300018286612	1	48	-1.0	-52.19	403.77	12.79	-39.40
CC1=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1N1C=NC=N1	REAL300018286613	1	41	-1.0	-54.73	355.89	11.51	-43.22
O=C([O-])C(NCC1=CC2=CC(F)=CC=C2O1)C1=CC(F)=CC=C1F	REAL300018286617	0	35	-1.0	-46.83	320.76	8.69	-38.14
O=C([O-])C(NCC1=CC=C(OCC(F)F)C=C1)C1=CC(F)=CC=C1F	REAL300018286618	1	39	-1.0	-53.34	351.33	8.60	-44.74
O=C([O-])C(NCC1=CC2=C(C=C1OC(F)F)OCO2)C1=CC(F)=CC=C1F	REAL300018286619	0	39	-1.0	-52.00	349.64	6.35	-45.65
COC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C(Br)=C1	REAL300018286620	0	36	-1.0	-47.69	329.20	7.86	-39.83
COCC1=CC=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286621	1	39	-1.0	-50.65	340.56	7.79	-42.86
CC1=NN(C2=CC=C(Cl)C=C2)C=C1CNC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286622	0	42	-1.0	-45.85	383.35	10.39	-35.46
CN(C)CC1=NC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=CS1	REAL300018286623	0	39	-1.0	-47.20	349.13	4.83	-42.37
O=C([O-])C(NCC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CC(F)=CC=C1F	REAL300018286624	1	43	-1.0	-50.40	387.35	12.15	-38.25
COC1=CC(C)=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OC	REAL300018286627	1	43	-1.0	-53.48	360.62	7.86	-45.62
O=C([O-])C(NCC1=CC=CC=C1C1CC1)C1=CC(F)=CC=C1F	REAL300018286628	1	39	-1.0	-46.67	324.41	10.01	-36.66
CC1=C(Br)C=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300018286629	1	32	-1.0	-47.96	319.55	8.55	-39.41
COC1=CC=C(N2C=C(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)C=N2)C=C1	REAL300018286633	0	43	-1.0	-50.46	375.04	8.64	-41.82
CC1=NN(C2=CC=CC=C2Cl)C=C1CNC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286637	0	42	-1.0	-51.74	376.32	10.56	-41.18
O=C([O-])C(NCC1=CC(C2=CC=CC=N2)=NN1)C1=CC(F)=CC=C1F	REAL300018286639	0	38	-1.0	-50.86	342.94	6.28	-44.58
CN1N=CC2=CC(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)=CN=C21	REAL300018286641	1	37	-1.0	-50.22	331.27	7.19	-43.03
CN1CCN(C2=NC=C(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)C=N2)CC1	REAL300018286646	0	47	-1.0	-48.79	388.68	6.39	-42.40
O=C([O-])C(NCC1=C(C2CC2)N(C2=CC=CC=C2)N=N1)C1=CC(F)=CC=C1F	REAL300018286648	0	45	-1.0	-48.97	384.03	9.57	-39.40
CN1C2=CC=C(C(F)(F)F)C=C2N=C1CNC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286649	0	41	-1.0	-56.30	370.66	9.45	-46.85
CC1CCC2=C(C1)SC(CNC(C(=O)[O-])C1=CC(F)=CC=C1F)=N2	REAL300018286650	0	41	-1.0	-50.41	355.92	8.50	-41.91
CCC1=CN=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300018286651	0	34	-1.0	-53.87	314.94	6.77	-47.10
CN1C=NC2=CC=CC(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)=C21	REAL300018286657	1	38	-1.0	-52.44	324.13	9.36	-43.08
COC1=CC=C(C)C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286658	1	39	-1.0	-55.14	332.02	7.91	-47.23
O=C([O-])C(NCC1=NOC(C2CCC2)=C1)C1=CC(F)=CC=C1F	REAL300018286659	0	38	-1.0	-45.69	330.39	8.40	-37.29
CC1(C2=CC(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)=NO2)CC1	REAL300018286660	0	38	-1.0	-45.99	332.81	8.30	-37.69
CCC1=CC=CC=C1CNC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286661	1	38	-1.0	-50.87	319.23	9.35	-41.52
CC1=CC(F)=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286662	1	35	-1.0	-47.49	313.13	8.84	-38.65
CC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1C	REAL300018286663	1	41	-1.0	-51.72	335.22	9.79	-41.93
O=C([O-])C(NCC1=CN=C2CCCCCN12)C1=CC(F)=CC=C1F	REAL300018286664	0	42	-1.0	-48.99	341.31	8.55	-40.44
COC1=CC=C2SC(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)=CC2=C1	REAL300018286665	0	39	-1.0	-48.36	353.51	8.97	-39.39
O=C([O-])C(NCC1=CC(C2=CC=CC=C2)=NO1)C1=CC(F)=CC=C1F	REAL300018286666	0	38	-1.0	-47.95	341.72	9.21	-38.74
CCN1CCC2=CC(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)=CC=C21	REAL300018286667	1	44	-1.0	-46.59	360.89	8.50	-38.09
CSC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1Cl	REAL300018286669	1	36	-1.0	-48.04	342.19	9.52	-38.52
CC1=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1C1CC1	REAL300018286670	1	42	-1.0	-47.76	353.49	10.70	-37.06
CCOC1=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=N1	REAL300018286672	0	38	-1.0	-51.47	334.44	5.71	-45.76
CC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1C1CC1	REAL300018286673	1	42	-1.0	-49.00	352.89	10.71	-38.29
CC1=NN(C2=CC=C(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)C(C)=C2)C=C1	REAL300018286674	1	45	-1.0	-51.32	380.78	10.46	-40.86
O=C([O-])C(NCC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1=CC(F)=CC=C1F	REAL300018286675	1	38	-1.0	-43.37	357.77	10.02	-33.35
CC1=CC(N2C=C(Cl)C=N2)=CC=C1CNC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286676	1	42	-1.0	-48.83	376.03	10.38	-38.45
CC1=NN(C2=CC=C(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)C=C2)C=C1Cl	REAL300018286677	1	42	-1.0	-46.41	383.37	10.37	-36.04
O=C([O-])C(NCC1=CN=C(C2CCOCC2)O1)C1=CC(F)=CC=C1F	REAL300018286678	0	42	-1.0	-45.59	357.51	4.61	-40.98
O=C([O-])C(NCC1=NOC(C2CC2)=C1)C1=CC(F)=CC=C1F	REAL300018286679	0	35	-1.0	-56.00	315.53	7.78	-48.22
CC1OC2=CC=C(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)C=C2C1C	REAL300018286680	1	43	-1.0	-46.63	358.65	9.26	-37.37
CC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OC(F)F	REAL300018286681	1	39	-1.0	-58.01	346.30	8.38	-49.63
CC1=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)NN=C1C(F)(F)F	REAL300018286683	0	35	-1.0	-43.99	325.23	5.99	-38.00
CC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1O	REAL300018286685	0	36	-1.0	-53.86	318.06	5.96	-47.90
O=C([O-])C(NCC1=NC(C2CC2)=CS1)C1=CC(F)=CC=C1F	REAL300018286686	0	35	-1.0	-45.47	321.95	7.34	-38.13
O=C([O-])C(NCC1=CN(CC2CC2)N=N1)C1=CC(F)=CC=C1F	REAL300018286687	0	38	-1.0	-47.32	334.76	7.05	-40.27
O=C([O-])C(NCC1=CC=C2CCOC2=C1)C1=CC(F)=CC=C1F	REAL300018286688	1	37	-1.0	-47.99	322.31	7.95	-40.04
O=C([O-])C(NCC1=NC2=C(CCCC2)N1)C1=CC(F)=CC=C1F	REAL300018286689	0	39	-1.0	-52.60	329.26	7.21	-45.39
O=C([O-])C(NCC1=CC=C2COCCC2=C1)C1=CC(F)=CC=C1F	REAL300018286690	1	40	-1.0	-47.33	340.02	8.22	-39.11
O=C([O-])C(NCC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC(F)=CC=C1F	REAL300018286691	1	40	-1.0	-48.22	350.60	7.98	-40.24
CSC1=CC=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286693	1	36	-1.0	-50.79	327.18	9.08	-41.71
O=C([O-])C(NCC1=CC=C(CC2CC2)S1)C1=CC(F)=CC=C1F	REAL300018286696	0	39	-1.0	-47.15	351.67	10.33	-36.82
O=C([O-])C(NCC1=CC=C(OC2CC2)C=C1)C1=CC(F)=CC=C1F	REAL300018286697	1	40	-1.0	-46.52	345.78	9.06	-37.46
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CC(F)(F)C1=CC=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286734	1	38	-1.0	-48.58	338.70	9.59	-38.99
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COC1=CC=CC=C1OC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286743	1	47	-1.0	-49.14	405.49	10.92	-38.22
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COC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OCCO	REAL300018286750	1	44	-1.0	-54.56	377.47	5.11	-49.45
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CC1=CC2=CC=CC(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)=C2O1	REAL300018286752	1	38	-1.0	-53.21	334.72	9.22	-43.99
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CC1=CC(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)=CN=C1N1C=CC=N1	REAL300018286800	0	41	-1.0	-47.88	358.03	9.42	-38.46
CCCN1N=C(C)C=C1CNC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286802	0	41	-1.0	-46.64	351.51	7.85	-38.79
CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)O1	REAL300018286803	0	40	-1.0	-46.01	345.78	5.64	-40.37
CC(NCC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286804	0	41	-1.0	-44.34	356.85	8.54	-35.80
CC(NCC1=CC(Cl)=CC2=C1OCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300018286805	1	40	-1.0	-49.93	333.86	8.48	-41.45
CC(NCC1=CN(CC2=CC=CN=C2)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286807	0	43	-1.0	-49.46	354.36	6.71	-42.75
CC(NCC1=CN(C2=CC=C(Cl)C(Cl)=C2)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286808	0	41	-1.0	-43.95	366.17	8.95	-35.00
CC(C)C1=CN=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286809	0	40	-1.0	-48.60	329.92	7.49	-41.11
CC(NCC1=C(Br)C=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286812	0	32	-1.0	-43.57	291.01	7.78	-35.79
CC1=CN2C=C(CNC(C)(C(=O)[O-])C3=CC=CC=C3)N=C2C=C1	REAL300018286815	0	41	-1.0	-52.77	329.85	9.33	-43.44
CC(NCC1=CN=C(C2=CC=C(Cl)C=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286816	0	41	-1.0	-46.17	363.25	9.70	-36.47
CN(C)CC1=CN=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286818	0	42	-1.0	-48.26	343.23	4.85	-43.41
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CC1=CC=CC=C1N1C=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)N=N1	REAL300018286822	0	44	-1.0	-57.57	355.52	8.88	-48.69
COC1=CC=C(F)C=C1CNC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286825	1	39	-1.0	-47.67	316.09	7.58	-40.09
CC1=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)N2C(C3CC3)=CSC2=N1	REAL300018286828	0	45	-1.0	-51.34	365.19	10.24	-41.10
CC(NCC1=CC=NN1C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286829	0	45	-1.0	-44.94	346.00	8.60	-36.34
CC(NCC1=CN=NN1C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286832	0	41	-1.0	-42.54	326.14	8.42	-34.12
CC(NCC1=CC=C(C2=CC=C(F)C=C2)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286839	0	42	-1.0	-51.13	348.14	10.12	-41.01
CC(NCC1=CSC(C2=CC=C(F)C=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286841	0	41	-1.0	-50.13	352.63	9.02	-41.11
CC1=NN(C)C(Cl)=C1CNC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286842	1	38	-1.0	-44.45	319.53	6.81	-37.64
COC1=NC2=CC=CC=C2C=C1CNC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286844	1	44	-1.0	-47.86	353.68	7.06	-40.80
CC(NCC1=CC(C(F)(F)F)=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018286845	1	38	-1.0	-44.41	334.50	9.61	-34.80
CC(NCC1=CC(Cl)=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018286848	1	35	-1.0	-43.33	309.28	9.06	-34.27
CC(NCC1=CC(F)=CC=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300018286851	1	35	-1.0	-42.32	301.23	8.68	-33.64
CC(NCC1=CC(Cl)=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018286853	1	35	-1.0	-47.05	303.65	8.69	-38.36
CC1=CC=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)C(Br)=C1	REAL300018286856	1	38	-1.0	-46.96	318.37	9.26	-37.70
CC(NCC1=NC=CC=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018286857	1	37	-1.0	-50.93	302.98	7.25	-43.68
COC1=CC=C2OC(CNC(C)(C(=O)[O-])C3=CC=CC=C3)=CC2=C1	REAL300018286858	0	42	-1.0	-48.71	338.73	7.96	-40.75
CC1=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2O1	REAL300018286859	0	41	-1.0	-52.54	330.42	9.32	-43.22
CC(NCC1=CN=C2C=CSC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286862	0	37	-1.0	-45.77	313.23	7.64	-38.13
CN1C2=CC(Cl)=CC=C2N=C1CNC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286863	0	41	-1.0	-42.81	344.62	9.03	-33.78
CC1=NN2C(=NC(C)=C2CNC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286866	0	40	-1.0	-56.07	335.84	7.35	-48.72
CN1C2=CC=C(Cl)C=C2N=C1CNC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286868	0	41	-1.0	-54.28	345.54	9.06	-45.22
COC1=CC(Cl)=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300018286870	1	39	-1.0	-43.52	338.02	8.39	-35.13
CC(NCC1=CC=C(C2=CC=NC=C2)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018286871	1	44	-1.0	-53.81	356.46	9.85	-43.96
CC(NCC1=NC2=C(CC(C)(C)CC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286874	0	47	-1.0	-49.70	365.64	8.80	-40.90
CC(NCC1=CN=C(C2CCCO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286875	0	42	-1.0	-47.47	345.42	6.36	-41.11
COC1=C(Br)C=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286876	0	36	-1.0	-44.56	324.59	7.34	-37.22
CCN1N=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C21	REAL300018286879	0	44	-1.0	-55.12	353.24	8.95	-46.17
CC(NCC1=CC=C(Cl)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018286892	1	35	-1.0	-49.69	303.80	8.72	-40.97
CC(NCC1=CC=C(Br)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286893	0	32	-1.0	-48.14	283.93	7.03	-41.11
COC1=CC=C2N=C(CNC(C)(C(=O)[O-])C3=CC=CC=C3)SC2=C1	REAL300018286895	0	41	-1.0	-48.63	343.13	6.99	-41.64
CC(C)(C)N1C=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)N=N1	REAL300018286897	0	43	-1.0	-47.25	338.13	6.59	-40.66
CC(NCC1=NC=CN1C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286902	0	42	-1.0	-45.58	333.46	10.17	-35.41
CC([NH2+]CC1=CC=CC(Cl)=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300018286905	0	36	-1.0	-63.56	305.99	7.79	-55.77
CC([NH2+]CC1=CC(Cl)=CC(F)=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300018286906	0	36	-1.0	-62.27	311.61	7.88	-54.39
COC1=CC(Br)=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1O	REAL300018286908	0	40	-1.0	-46.57	339.81	5.88	-40.69
CC(NCC1=CC=C(OC2=CC=CC=C2)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286911	0	43	-1.0	-45.00	348.13	9.91	-35.09
CC(NCC1=CC=C(SC2=CC=CC=N2)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286915	0	42	-1.0	-56.20	357.57	9.33	-46.87
CC(O)C1=NC=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286918	0	38	-1.0	-50.78	320.72	3.54	-47.24
CN1N=CC(Br)=C1CNC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286920	0	35	-1.0	-42.32	303.30	6.33	-35.99
CC(NCC1=CN=C(C2=CC=CO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286922	0	38	-1.0	-46.27	329.16	7.24	-39.03
CC(C)(C)C1=CN=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286923	0	43	-1.0	-48.70	347.70	7.94	-40.76
CSC1=CC=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286924	0	36	-1.0	-46.24	315.02	8.49	-37.75
COC1=CC=CC(CNC(C)(C(=O)[O-])C2=CC=CC=C2)=C1F	REAL300018286932	1	39	-1.0	-54.95	316.23	7.49	-47.46
CC(NCC1=C(Br)N2C=CC=CC2=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286933	0	38	-1.0	-52.11	329.01	9.11	-43.00
CN1C=C(C2=CC=C(CNC(C)(C(=O)[O-])C3=CC=CC=C3)S2)C=N1	REAL300018286934	1	42	-1.0	-50.56	355.45	8.84	-41.72
CC(NCC1=C(Cl)N(CC2=CC=CC=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286936	1	45	-1.0	-47.24	380.72	10.14	-37.10
CC(NCC1=CC=NN1CCC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286946	0	48	-1.0	-44.21	382.90	10.36	-33.85
CC(NCC1=CC=C(Cl)C(S(N)(=O)=O)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286947	1	40	-1.0	-47.45	348.73	3.66	-43.79
CC(NCC1=CN=C(C2=CC=CC=C2F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286949	0	41	-1.0	-50.07	350.90	9.41	-40.66
CN1C=C(C2=NC(CNC(C)(C(=O)[O-])C3=CC=CC=C3)=CS2)C=N1	REAL300018286950	0	41	-1.0	-50.72	350.86	6.73	-43.99
CC1=CC(CNC(C)(C(=O)[O-])C2=CC=CC=C2)=NC=C1Br	REAL300018286954	1	37	-1.0	-50.72	316.28	7.51	-43.21
CC(C)(C)C1=CSC(CNC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300018286955	0	43	-1.0	-51.99	347.07	7.87	-44.12
CC(NCC1=NC=C(Br)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018286956	0	34	-1.0	-45.64	303.02	6.94	-38.70
CC(NCC1=CN=C(C2CCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286958	0	44	-1.0	-46.59	353.40	8.80	-37.79
CC(NCC1=CN=C(C2CCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286960	0	47	-1.0	-44.95	371.95	9.36	-35.59
CC(NCC1=CN=C(C2CC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286961	0	38	-1.0	-45.05	319.28	7.79	-37.26
CC(C)CC1=NC=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286962	0	43	-1.0	-46.27	349.33	8.34	-37.93
CC(C)C1=NC=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286963	0	40	-1.0	-47.29	330.46	7.48	-39.81
CC(NCC1=CN=C(C2=CC=CS2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286964	0	38	-1.0	-45.70	338.26	8.24	-37.46
CC(NCC1=CN=C(C2=CC=CC(Cl)=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286965	0	41	-1.0	-46.59	363.26	9.71	-36.88
CC(NCC1=CN=C(C2=CSC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286966	0	38	-1.0	-47.23	337.65	8.14	-39.09
CC1=CC=C(C2=NC=C(CNC(C)(C(=O)[O-])C3=CC=CC=C3)S2)C=C1C	REAL300018286967	0	47	-1.0	-48.80	384.89	10.39	-38.41
CC1=CC=C(C2=NC=C(CNC(C)(C(=O)[O-])C3=CC=CC=C3)S2)O1	REAL300018286968	0	41	-1.0	-46.13	351.07	8.07	-38.06
CC1=CC(CNC(C)(C(=O)[O-])C2=CC=CC=C2)=C(Br)C=C1F	REAL300018286969	1	38	-1.0	-41.72	326.30	9.45	-32.27
CC(NCC1=CN=C(CCC2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286971	0	47	-1.0	-47.77	391.09	10.67	-37.10
COCCC1=NC=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286972	0	41	-1.0	-46.72	343.35	5.95	-40.77
CC(NCC1=NC2=CC(Br)=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286974	0	37	-1.0	-49.10	325.11	5.78	-43.32
CC(NCC1=CC=C(Cl)C=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300018286976	1	35	-1.0	-43.82	313.68	9.10	-34.72
CC(NCC1=CN2C=CC(Br)=CC2=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286978	1	38	-1.0	-48.74	329.79	9.29	-39.45
COC1=CC=C(CN2C=C(CNC(C)(C(=O)[O-])C3=CC=CC=C3)N=N2)C=C1	REAL300018286979	0	48	-1.0	-48.83	389.02	7.79	-41.04
CC(NCC1=NC2=C(CCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286980	0	38	-1.0	-48.14	312.11	7.32	-40.82
CC(NCC1=CN=C(C2=CC=CN=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286983	0	40	-1.0	-47.73	341.52	7.41	-40.32
CC(NCC1=CC(Br)=C([N+](=O)[O-])S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286984	0	34	-1.0	-40.04	318.97	8.60	-31.44
CC1=C(C)C=C2OC(CNC(C)(C(=O)[O-])C3=CC=CC=C3)=CC2=C1	REAL300018286988	0	44	-1.0	-46.70	347.54	9.88	-36.82
CC(NCC1=CN=C(C2CCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286990	0	41	-1.0	-45.29	335.92	8.26	-37.03
CCC1=C2OC(CNC(C)(C(=O)[O-])C3=CC=CC=C3)=CC2=CC=C1	REAL300018286991	0	44	-1.0	-48.49	352.27	10.13	-38.36
CC(NCC1=NC2=CC=C(Br)C=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286995	0	37	-1.0	-44.50	334.44	8.22	-36.28
CC(C)CN1N=CC=C1CNC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286996	0	44	-1.0	-46.32	339.08	8.26	-38.06
CC(NCC1=CN(CC2CCCO2)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286997	0	45	-1.0	-60.56	356.49	5.75	-54.81
CC(NCC1=CN(C2=CC=C(F)C=C2Cl)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286998	0	41	-1.0	-46.39	357.94	8.74	-37.65
CC(NCC1=CN(C2=CC=C(Cl)C=C2Cl)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286999	0	41	-1.0	-46.28	368.26	9.20	-37.08
COC1=CC(C(=O)[O-])=CC=C1NC1CC(C)(C)CC(C)(C)C1	REAL300018290279	0	48	-1.0	-49.83	353.85	8.58	-41.25
COC1=CC(C(=O)[O-])=CC=C1NC1CCC2=CC(Br)=CC=C2C1	REAL300018290280	0	40	-1.0	-50.79	342.21	9.41	-41.38
COC1=CC(C(=O)[O-])=CC=C1NC(C)CCC1=CNC2=CC=CC=C12	REAL300018290281	0	46	-1.0	-55.02	374.72	9.49	-45.53
COC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C(Cl)=C1OC	REAL300018290282	0	41	-1.0	-54.77	358.03	6.83	-47.94
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C2=CC=CS2)C=C1	REAL300018290283	0	40	-1.0	-51.84	349.02	9.70	-42.14
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=CC=CC=C2S1	REAL300018290284	0	36	-1.0	-51.92	319.04	8.61	-43.31
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(OC(C)C)C=C1	REAL300018290285	0	43	-1.0	-51.61	350.94	7.93	-43.68
CCCCCCCOC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300018290286	0	55	-1.0	-51.05	440.51	11.23	-39.82
COC1=CC(C(=O)[O-])=CC=C1NCC(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300018290287	0	54	-1.0	-50.91	415.71	11.47	-39.44
COC1=CC(C(=O)[O-])=CC=C1NCC1=CSC([N+](=O)[O-])=C1	REAL300018290288	0	32	-1.0	-54.76	301.70	6.87	-47.89
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(CC(C)C)C=C1	REAL300018290289	0	45	-1.0	-50.32	362.80	9.76	-40.56
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(C2=CC=C(C)C=C2)=C1	REAL300018290290	0	46	-1.0	-52.37	377.27	11.16	-41.21
COC1=CC=C(Br)C(CNC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300018290291	0	37	-1.0	-52.42	329.37	6.95	-45.47
COC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1[N+](=O)[O-]	REAL300018290292	0	39	-1.0	-58.52	337.18	7.82	-50.70
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(Cl)=CC(Cl)=C1	REAL300018290293	0	33	-1.0	-49.99	315.12	8.09	-41.90
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(C2=CC=CC=C2C)=C1	REAL300018290294	0	46	-1.0	-52.07	377.76	11.16	-40.91
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(OC(F)F)=C1	REAL300018290295	0	37	-1.0	-53.37	320.92	6.66	-46.71
CCOC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1OCC	REAL300018290296	0	47	-1.0	-53.49	384.11	8.12	-45.37
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018290297	0	36	-1.0	-52.11	333.55	8.49	-43.62
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(F)C=C1Br	REAL300018290298	0	33	-1.0	-51.21	306.52	7.65	-43.56
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C2OC(F)(F)OC2=C1	REAL300018290299	0	36	-1.0	-53.03	321.26	6.18	-46.85
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=NC2=CC=CC=C12	REAL300018290300	0	38	-1.0	-52.91	319.81	7.31	-45.60
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(OC(F)(F)F)=C1	REAL300018290301	0	37	-1.0	-51.09	327.66	6.87	-44.22
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(S(C)(=O)=O)C=C1	REAL300018290302	0	39	-1.0	-59.13	342.34	4.60	-54.53
COC1=CC=CC=C1C1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300018290303	0	47	-1.0	-53.34	389.89	10.14	-43.20
COC1=CC(C(=O)[O-])=CC=C1NC(C)CCOCC1=CC=CC=C1	REAL300018290304	0	46	-1.0	-52.36	376.84	8.72	-43.64
COC1=CC(C(=O)[O-])=CC=C1NC1CC(C2=CC=C(Cl)C=C2)C1	REAL300018290305	0	40	-1.0	-51.68	341.60	9.47	-42.21
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300018290306	0	43	-1.0	-51.68	372.59	11.02	-40.66
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300018290307	0	43	-1.0	-52.05	372.60	11.00	-41.05
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300018290308	0	43	-1.0	-55.24	380.95	9.97	-45.27
COC1=CC(C(=O)[O-])=CC=C1NCC1=NC2=CC=CC=C2N1C	REAL300018290309	0	39	-1.0	-55.46	328.92	7.41	-48.05
COC1=CC(C(=O)[O-])=CC=C1NCC1=CSC(Br)=C1	REAL300018290310	0	30	-1.0	-50.17	293.31	6.74	-43.43
COC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1OCC1=CC=CN=C1	REAL300018290311	0	50	-1.0	-56.33	417.01	8.47	-47.86
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(N2CCCC2)N=C1	REAL300018290312	0	44	-1.0	-52.68	355.58	6.99	-45.69
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COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(OC(F)F)C(Cl)=C1	REAL300018290425	0	37	-1.0	-53.48	336.94	7.20	-46.28
COC1=CC(C(=O)[O-])=CC=C1NCC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300018290426	0	41	-1.0	-54.73	374.70	8.52	-46.21
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(N(C)C)C=C1C	REAL300018290427	0	44	-1.0	-51.70	349.87	8.17	-43.53
COC1=CC2=C(C=C1CNC1=CC=C(C(=O)[O-])C=C1OC)OCO2	REAL300018290428	0	40	-1.0	-54.04	336.15	5.07	-48.97
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(OC)=C(OC)C=C1Cl	REAL300018290429	0	41	-1.0	-53.44	354.75	6.72	-46.72
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(OCC(C)C)=C1	REAL300018290430	0	46	-1.0	-51.96	374.62	8.80	-43.16
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(OCCN2CCOCC2)C=C1	REAL300018290431	0	53	-1.0	-53.22	421.69	5.94	-47.28
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(F)C2=CC=CC=C12	REAL300018290432	0	39	-1.0	-51.57	330.05	9.22	-42.35
C=CCOC1=C(Cl)C=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1OC	REAL300018290433	0	45	-1.0	-53.04	395.12	8.44	-44.60
COC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1CN1C=CC=N1	REAL300018290434	0	47	-1.0	-55.65	393.74	8.07	-47.58
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC2=C1OC(C)(C)C2	REAL300018290435	0	44	-1.0	-53.79	358.87	8.30	-45.49
COC1=CC(C(=O)[O-])=CC=C1NCC1=NC2=C(CCCC2)S1	REAL300018290436	0	39	-1.0	-52.19	330.18	6.82	-45.37
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=NC=C1Br	REAL300018290437	0	32	-1.0	-51.75	295.29	5.84	-45.91
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(F)=CC(Br)=C1	REAL300018290438	0	33	-1.0	-50.28	309.36	7.76	-42.52
COC1=CC(C(=O)[O-])=CC=C1NC(C)CC1=CC=C(F)C=C1Cl	REAL300018290439	0	39	-1.0	-52.94	341.33	9.11	-43.83
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(N2C=CC=N2)=C1	REAL300018290440	0	40	-1.0	-57.07	340.07	8.28	-48.79
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=CC=NC=C2C=C1	REAL300018290441	0	38	-1.0	-53.09	322.66	7.56	-45.53
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(C)=C(Br)S1	REAL300018290442	0	33	-1.0	-50.04	313.15	7.50	-42.54
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=CC(Br)=CC=C2O1	REAL300018290443	0	36	-1.0	-51.78	330.83	8.21	-43.57
COC1=CC(C(=O)[O-])=CC=C1NC1CCN(S(C)(=O)=O)CC1	REAL300018290444	0	41	-1.0	-58.21	337.44	3.07	-55.14
COC1=CC(F)=CC(CNC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300018290445	0	37	-1.0	-51.81	317.57	6.45	-45.36
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C(C(C)(C)C)N=C1	REAL300018290446	0	43	-1.0	-52.45	353.28	7.03	-45.42
COC1=CC=CC=C1N1CCC(NC2=CC=C(C(=O)[O-])C=C2OC)CC1	REAL300018290447	0	49	-1.0	-52.46	379.37	7.15	-45.31
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C)C=C1Cl	REAL300018290448	0	36	-1.0	-51.68	317.46	8.16	-43.52
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018290449	0	35	-1.0	-54.49	322.33	8.12	-46.37
COC1=CC(C(=O)[O-])=CC=C1NCCC1=CC=CC(Cl)=C1	REAL300018290450	0	36	-1.0	-51.50	319.89	8.37	-43.13
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300018290451	0	53	-1.0	-53.60	435.92	11.91	-41.69
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(OC2=CC=CN=C2)C(C)=C1	REAL300018290452	0	46	-1.0	-53.41	386.96	8.95	-44.46
COC1=CC(C(=O)[O-])=CC=C1NC(C)CC1=CC=C(F)C=C1Br	REAL300018290453	0	39	-1.0	-52.81	344.82	9.18	-43.63
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C(C2=CC=C(C)C=C2)S1	REAL300018290454	0	42	-1.0	-52.58	368.08	8.78	-43.80
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(Cl)=CC2=CC=CN=C21	REAL300018290455	0	38	-1.0	-54.46	338.45	8.08	-46.38
COC1=CC(C(=O)[O-])=CC=C1NCC1=C(Cl)C=CC2=CC=CN=C21	REAL300018290456	0	38	-1.0	-56.33	335.40	8.01	-48.32
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(S(C)=O)C=C1	REAL300018290457	0	38	-1.0	-61.33	333.87	5.67	-55.66
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300018290458	0	35	-1.0	-53.54	324.28	8.17	-45.37
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300018290459	0	40	-1.0	-56.36	356.39	9.13	-47.23
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C2=CC=C(F)C=C2C)O1	REAL300018290460	0	43	-1.0	-52.14	368.81	9.71	-42.43
CCC1=CC=C(C2=CC=C(CNC3=CC=C(C(=O)[O-])C=C3OC)O2)C=C1	REAL300018290461	0	46	-1.0	-53.00	384.79	10.41	-42.59
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C2CCCCC2=C1	REAL300018290462	0	43	-1.0	-50.71	344.35	9.57	-41.14
COC1=CC(C(=O)[O-])=CC=C1NC1CCC(C2CCCCC2)CC1	REAL300018290463	0	52	-1.0	-49.83	380.05	10.26	-39.57
COC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1C(C)(C)C	REAL300018290464	0	49	-1.0	-51.31	382.33	9.06	-42.25
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(OC(C)(C)C)=C1	REAL300018290465	0	46	-1.0	-52.52	362.06	8.22	-44.30
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(S(N)(=O)=O)C=C1	REAL300018290466	0	38	-1.0	-57.24	335.90	2.04	-55.20
COC1=CC(C(=O)[O-])=CC=C1NC1CCC2=CC=CC(Cl)=C2C1	REAL300018290467	0	40	-1.0	-53.22	334.56	9.19	-44.03
CCOC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300018290468	0	43	-1.0	-51.57	350.13	8.03	-43.54
COC1=CC(C)=CC=C1CNC1=CC=C(C(=O)[O-])C=C1OC	REAL300018290469	0	40	-1.0	-52.62	331.49	7.08	-45.54
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(Cl)=CC(Cl)=C1N	REAL300018290470	0	35	-1.0	-49.87	324.65	6.08	-43.79
COC1=CC(C(=O)[O-])=CC=C1NC1CCC(C2=CC=C(F)C=C2)C1	REAL300018290471	0	43	-1.0	-52.44	348.30	9.65	-42.79
COCC1=CSC(CNC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300018290472	0	37	-1.0	-51.39	327.18	5.90	-45.49
CCCC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)S1	REAL300018290473	0	39	-1.0	-50.17	336.75	8.53	-41.64
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC([N+](=O)[O-])=C1C	REAL300018290474	0	38	-1.0	-54.94	321.45	8.28	-46.66
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(Br)C(C)=C1	REAL300018290475	0	36	-1.0	-50.31	321.14	8.26	-42.05
COC1=CC(CNC2=CC=C(C(=O)[O-])C=C2OC)=CC=C1Cl	REAL300018290476	0	37	-1.0	-51.69	327.19	6.93	-44.76
COC1=CC(C(=O)[O-])=CC=C1NCC1=NN(C2=CC=CC=C2)C=C1	REAL300018290477	0	40	-1.0	-56.21	340.55	8.19	-48.02
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C(C(F)(F)F)S1	REAL300018290478	0	32	-1.0	-51.48	307.73	5.48	-46.00
COC1=CC(C(=O)[O-])=CC=C1NCC1=NN2CCCCC2=C1	REAL300018290479	0	40	-1.0	-54.74	326.25	6.40	-48.34
COC1=CC(C(=O)[O-])=CC=C1NC1CC2=CC=C(Cl)C=C2C1	REAL300018290480	0	37	-1.0	-50.29	320.81	8.81	-41.48
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=C(C=N1)OCCO2	REAL300018290481	0	38	-1.0	-54.44	321.09	4.42	-50.02
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C2C=CC(Cl)=CN12	REAL300018290482	0	36	-1.0	-53.07	325.22	8.01	-45.06
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C2C(C)=CC=CN12	REAL300018290483	0	39	-1.0	-54.96	329.95	8.10	-46.86
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C(Br)N1C	REAL300018290484	0	33	-1.0	-52.50	302.29	5.96	-46.54
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018290485	0	39	-1.0	-56.78	340.98	6.97	-49.81
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(C(F)(F)F)=NN1	REAL300018290486	0	33	-1.0	-52.36	302.72	4.40	-47.96
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=C(F)C=CC=C2N1	REAL300018290487	0	37	-1.0	-53.73	320.05	7.08	-46.65
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=CC=C(F)C=C2N1	REAL300018290488	0	37	-1.0	-51.97	319.95	7.07	-44.90
CCOC1=CC=CC(CNC2=CC=C(C(=O)[O-])C=C2OC)=N1	REAL300018290489	0	39	-1.0	-53.10	330.68	4.66	-48.44
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(Cl)=C1C	REAL300018290490	0	36	-1.0	-50.63	312.84	8.23	-42.40
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=CC=NC=C2S1	REAL300018290491	0	35	-1.0	-52.19	313.78	6.83	-45.36
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C2C=CC=C(C)N12	REAL300018290492	0	39	-1.0	-54.75	321.61	7.99	-46.76
COC1=CC(C(=O)[O-])=CC=C1NC(C)CCC1=NNC2=CC=CC=C21	REAL300018290493	0	45	-1.0	-54.88	369.96	8.03	-46.85
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(C)=CC(Cl)=C1	REAL300018290494	0	36	-1.0	-50.53	319.80	8.25	-42.28
COCC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300018290495	0	40	-1.0	-52.02	336.72	6.81	-45.21
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=CC=CC(F)=C2N=C1	REAL300018290496	0	38	-1.0	-56.65	329.07	7.52	-49.13
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=CC=CN=C2C(C)=C1	REAL300018290497	0	41	-1.0	-53.90	342.89	8.28	-45.62
CCCOC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1C	REAL300018290498	0	46	-1.0	-51.28	374.59	8.85	-42.43
COC1=CC(C(=O)[O-])=CC=C1NCC1=NC=C(C)C(OC)=C1C	REAL300018290499	0	42	-1.0	-52.81	344.11	5.86	-46.95
COC1=CC2=CC=CC=C2C=C1CNC1=CC=C(C(=O)[O-])C=C1OC	REAL300018290500	0	43	-1.0	-53.49	355.91	8.69	-44.80
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(S(C)(=O)=O)S1	REAL300018290501	0	36	-1.0	-58.99	334.75	3.75	-55.24
COC1=CC(C(=O)[O-])=CC=C1NCC1=C2N=CC(Br)=CN2N=C1	REAL300018290502	0	35	-1.0	-54.97	325.56	6.61	-48.36
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1	REAL300018290503	0	52	-1.0	-52.64	418.02	11.28	-41.36
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C(F)F)C=C1	REAL300018290505	0	36	-1.0	-52.72	315.82	8.01	-44.71
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=CC(Cl)=CN=C2O1	REAL300018290506	0	35	-1.0	-54.18	321.07	5.04	-49.14
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C2C=CC(Br)=CN12	REAL300018290507	0	36	-1.0	-52.88	329.78	8.11	-44.77
COC1=CC(C(=O)[O-])=CC=C1NCC1=NC=CC2=CC=CC=C21	REAL300018290508	0	38	-1.0	-53.52	319.39	7.36	-46.16
CCN(C1=CC=CC=C1)C1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300018290509	0	51	-1.0	-51.92	416.48	11.85	-40.07
CCN(CC)C1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300018290510	0	47	-1.0	-52.06	382.12	8.25	-43.81
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(OC)=C(OC)C=C1SC	REAL300018290511	0	45	-1.0	-54.66	377.98	7.18	-47.48
COC1=CC(C(=O)[O-])=CC=C1NC1CCN(C2=CC=C(N(C)C)C=C2)CC1	REAL300018290512	0	53	-1.0	-52.18	402.01	7.94	-44.24
COC1=CC(C(=O)[O-])=CC=C1NC(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300018290513	0	44	-1.0	-56.72	362.36	9.81	-46.91
COC1=CC(C(=O)[O-])=CC=C1NC1CC(C)CC(C2=CC=CC=C2)C1	REAL300018290514	0	49	-1.0	-51.83	376.17	11.01	-40.82
COC1=CC(C(=O)[O-])=CC=C1NCC1=NC2=CC=C(F)C=C2S1	REAL300018290515	0	35	-1.0	-51.94	319.74	6.59	-45.35
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=CC=CC=C2C(OC)=C1	REAL300018290516	0	43	-1.0	-52.76	356.13	8.69	-44.07
CCOC1=CN=CC(CNC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300018290517	0	39	-1.0	-52.58	327.94	5.48	-47.10
CCOC1=CC(F)=CC(CNC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300018290518	0	40	-1.0	-51.57	339.43	7.37	-44.20
COC1=CC=C(C(C)CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300018290519	0	43	-1.0	-52.15	348.23	7.70	-44.45
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(C2CC2)=NN1C	REAL300018290520	0	40	-1.0	-52.44	333.99	6.72	-45.72
COC1=CC(C(=O)[O-])=CC=C1NC1CCC2(CCCCC2)CC1	REAL300018290521	0	49	-1.0	-49.85	351.02	9.14	-40.71
COC1=CC(C(=O)[O-])=CC=C1NC1CC2=C(C1)C1=CC=CC=C1N2	REAL300018290522	0	41	-1.0	-52.59	335.84	8.31	-44.28
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC2=C(OC)C=CC=C12	REAL300018290523	0	43	-1.0	-52.95	352.86	8.54	-44.41
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=NN1CC1CC1	REAL300018290524	0	40	-1.0	-51.62	335.75	7.07	-44.55
COC1=CC(C(=O)[O-])=CC=C1NC(C)CCC1=CC=CN=C1	REAL300018290525	0	41	-1.0	-53.29	337.78	7.66	-45.63
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(S(N)(=O)=O)O1	REAL300018290526	0	35	-1.0	-59.10	319.02	0.21	-58.89
COC1=CC(C(=O)[O-])=CC=C1NC1CC=C(C2=CC=C(F)C=C2)CC1	REAL300018290527	0	44	-1.0	-51.36	362.14	10.28	-41.08
COC1=CC(C(=O)[O-])=CC=C1NC1CCC2(CCOCC2)CC1	REAL300018290528	0	47	-1.0	-50.92	342.55	6.78	-44.14
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=CC(OC)=C1C	REAL300018290529	0	39	-1.0	-52.53	322.49	5.31	-47.22
COC1=CC(C(=O)[O-])=CC=C1NCCC1=CC=C(F)C=C1Cl	REAL300018290530	0	36	-1.0	-51.88	323.31	8.34	-43.54
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C(F)(F)F)S1	REAL300018290531	0	33	-1.0	-50.68	312.52	7.37	-43.31
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=C(C)C=CC=C2N1	REAL300018290532	0	40	-1.0	-52.21	334.50	7.65	-44.56
COC1=CC(C(=O)[O-])=CC=C1NCC1=CSC(C(F)(F)F)=C1	REAL300018290533	0	33	-1.0	-51.06	312.27	7.21	-43.85
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COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(S(N)(=O)=O)=C1	REAL300018290547	0	38	-1.0	-58.89	335.83	2.03	-56.86
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COC1=CC(C(=O)[O-])=CC=C1NCC1=NC=C(C(F)(F)F)S1	REAL300018290549	0	32	-1.0	-50.65	307.30	5.38	-45.27
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COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(OCC(F)F)C=C1	REAL300018290555	0	40	-1.0	-55.84	346.03	7.62	-48.22
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COC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C(Br)=C1	REAL300018290557	0	37	-1.0	-52.65	329.60	6.87	-45.78
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COC1=CC(C(=O)[O-])=CC=C1NCC1=CSC(CN(C)C)=N1	REAL300018290560	0	40	-1.0	-53.12	342.87	3.55	-49.57
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300018290561	0	44	-1.0	-51.90	382.26	11.18	-40.72
CCC(CC1=CC=C(OC)C(OC)=C1)NC1=CC=C(C(=O)[O-])C=C1OC	REAL300018290562	0	50	-1.0	-58.53	389.76	8.22	-50.31
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(OC)=C(OC)C=C1C	REAL300018290563	0	44	-1.0	-53.54	357.50	6.99	-46.55
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(Br)=C(C)S1	REAL300018290564	0	33	-1.0	-50.03	313.21	7.52	-42.51
COC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1COC1=CC=CC=C1	REAL300018290565	0	51	-1.0	-54.56	419.60	9.81	-44.75
COC1=CC(C(=O)[O-])=CC=C1NCCC1=CC=C(F)C=C1F	REAL300018290566	0	36	-1.0	-52.36	315.02	7.97	-44.39
COC1=CC=C(CC(C)NC2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1OC	REAL300018290567	0	50	-1.0	-57.66	396.84	8.42	-49.24
COC1=CC=C(N2C=C(CNC3=CC=C(C(=O)[O-])C=C3OC)C=N2)C=C1	REAL300018290568	0	44	-1.0	-55.42	369.98	7.58	-47.84
COC1=CC(C(=O)[O-])=CC=C1NC(C)CCC1=CSC=C1	REAL300018290569	0	39	-1.0	-51.43	332.93	8.37	-43.06
COCCC1=CC=C(OCC(C)NC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300018290570	0	50	-1.0	-52.98	405.53	7.97	-45.01
CCC(CC1=CC=C(Br)C=C1)NC1=CC=C(C(=O)[O-])C=C1OC	REAL300018290571	0	42	-1.0	-54.15	352.32	9.64	-44.51
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN(C2=CC=CC=C2Cl)N=C1C	REAL300018290572	0	43	-1.0	-56.40	373.01	9.51	-46.89
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(N(C)CC2=CC=CS2)C=C1	REAL300018290573	0	48	-1.0	-52.15	401.91	10.44	-41.71
COC1=CC(C(=O)[O-])=CC=C1NC1CCCC(C2=CC=C(Cl)C=C2)C1	REAL300018290574	0	46	-1.0	-51.17	376.42	10.62	-40.55
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(C2=CC=CC=N2)=NN1	REAL300018290575	0	39	-1.0	-55.63	337.84	5.31	-50.32
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C2C(=C1)C=NN2C	REAL300018290576	0	38	-1.0	-55.73	325.96	6.21	-49.52
COC1=CC(C(=O)[O-])=CC=C1NC(C)CCC1=CC=C(F)C=C1F	REAL300018290577	0	42	-1.0	-52.15	354.81	9.54	-42.61
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(Br)C=C1SC	REAL300018290578	0	37	-1.0	-51.37	340.60	8.58	-42.79
CCC(CC1=CC=C(C(F)(F)F)C=C1)NC1=CC=C(C(=O)[O-])C=C1OC	REAL300018290579	0	45	-1.0	-56.92	381.15	10.62	-46.30
COCC(CC1CCOCC1)NC1=CC=C(C(=O)[O-])C=C1OC	REAL300018290580	0	47	-1.0	-52.26	361.44	6.16	-46.10
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C(N2CCN(C)CC2)N=C1	REAL300018290581	0	48	-1.0	-53.74	385.03	5.36	-48.38
COC1=CC(C(=O)[O-])=CC=C1NC1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300018290582	0	44	-1.0	-50.85	372.45	10.73	-40.12
COC1=CC(C(=O)[O-])=CC=C1NCC1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300018290583	0	46	-1.0	-56.80	385.05	8.74	-48.06
COC1=CC(C(=O)[O-])=CC=C1NCC1=NC2=CC(C(F)(F)F)=CC=C2N1C	REAL300018290584	0	42	-1.0	-55.11	367.02	8.39	-46.72
COC1=CC(C(=O)[O-])=CC=C1NCC1=NC2=C(CC(C)CC2)S1	REAL300018290585	0	42	-1.0	-51.84	350.98	7.43	-44.41
COC1=CC(C(=O)[O-])=CC=C1NC1CCC2COCCC2C1	REAL300018290586	0	44	-1.0	-51.13	330.74	6.89	-44.24
COC1=CC(C(=O)[O-])=CC=C1NC1CC2(C1)COC(C)(C)C2	REAL300018290587	0	44	-1.0	-51.89	345.21	6.73	-45.16
COC1=CC(C(=O)[O-])=CC=C1NC1CCOC2=CC=CC=C2C1	REAL300018290588	0	41	-1.0	-50.89	328.54	7.51	-43.38
COC1=CC(C(=O)[O-])=CC=C1NC1CCCC2=C(C=CS2)C1	REAL300018290589	0	40	-1.0	-51.27	328.83	8.46	-42.81
COC1=CC(C(=O)[O-])=CC=C1NCC1=C2C(=CC=C1)N=CN2C	REAL300018290590	0	39	-1.0	-53.90	322.12	8.52	-45.38
COC1=CC=C(C)C(CNC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300018290591	0	40	-1.0	-52.12	328.27	7.09	-45.03
COC1=CC(C(=O)[O-])=CC=C1NCC1=NOC(C2CCC2)=C1	REAL300018290592	0	39	-1.0	-52.32	326.81	7.31	-45.01
COC1=CC(C(=O)[O-])=CC=C1NCC1=NOC(C2(C)CC2)=C1	REAL300018290593	0	39	-1.0	-52.30	329.22	7.21	-45.09
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C2CCCCCN12	REAL300018290594	0	43	-1.0	-53.14	337.73	7.47	-45.67
COC1=CC=C2SC(CNC3=CC=C(C(=O)[O-])C=C3OC)=CC2=C1	REAL300018290595	0	40	-1.0	-52.78	348.59	7.90	-44.88
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(C2=CC=CC=C2)=NO1	REAL300018290596	0	39	-1.0	-54.27	336.62	8.24	-46.03
CCN1CCC2=CC(CNC3=CC=C(C(=O)[O-])C=C3OC)=CC=C21	REAL300018290597	0	45	-1.0	-51.40	358.56	7.58	-43.82
COC1=CC(C(=O)[O-])=CC=C1NC1CCC2(COC(C)(C)C2)CC1	REAL300018290598	0	50	-1.0	-51.53	368.30	7.54	-43.99
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(SC)C(Cl)=C1	REAL300018290599	0	37	-1.0	-52.25	336.88	8.55	-43.70
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C2CC2)C(C)=C1	REAL300018290600	0	43	-1.0	-50.69	348.08	9.71	-40.98
COC1=CC=CC2=C1CCCC(NC1=CC=C(C(=O)[O-])C=C1OC)C2	REAL300018290601	0	47	-1.0	-52.15	363.78	8.67	-43.48
CCOC1=CC(CNC2=CC=C(C(=O)[O-])C=C2OC)=CC=N1	REAL300018290602	0	39	-1.0	-52.56	330.60	4.72	-47.84
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C)C(C2CC2)=C1	REAL300018290603	0	43	-1.0	-50.78	348.09	9.71	-41.07
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(N2C=CC(C)=N2)C=C1C	REAL300018290604	0	46	-1.0	-55.63	379.10	9.57	-46.06
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300018290605	0	39	-1.0	-50.85	352.85	8.96	-41.89
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(N2C=C(Cl)C=N2)C=C1C	REAL300018290606	0	43	-1.0	-53.68	374.31	9.51	-44.17
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(N2C=C(Cl)C(C)=N2)C=C1	REAL300018290607	0	43	-1.0	-54.17	378.57	9.36	-44.81
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C(C2CCOCC2)O1	REAL300018290608	0	43	-1.0	-53.19	353.94	3.54	-49.65
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C2OC(C)C(C)C2=C1	REAL300018290609	0	44	-1.0	-52.26	355.05	8.18	-44.08
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C)C(OC(F)F)=C1	REAL300018290610	0	40	-1.0	-54.20	340.99	7.40	-46.80
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(C(C)C)=CC=C1O	REAL300018290611	0	43	-1.0	-51.52	351.92	6.18	-45.34
COC1=CC(C(=O)[O-])=CC=C1NCC1=C(C)C(C(F)(F)F)=NN1	REAL300018290612	0	36	-1.0	-52.05	321.34	4.98	-47.07
COC1=CC(C(=O)[O-])=CC=C1NCC1=NC(C2CC2)=CS1	REAL300018290613	0	36	-1.0	-52.09	317.29	6.28	-45.81
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN(CC2CC2)N=N1	REAL300018290614	0	39	-1.0	-57.19	331.19	5.97	-51.22
COC1=CC(C(=O)[O-])=CC=C1NCC1=NC2=C(CCCC2)N1	REAL300018290615	0	40	-1.0	-54.45	324.61	6.12	-48.33
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C2COCCC2=C1	REAL300018290616	0	41	-1.0	-51.74	335.39	7.17	-44.57
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=CC(C2=CC=CN=C2)=C1	REAL300018290617	0	41	-1.0	-55.09	345.94	6.93	-48.16
COC1=CC(C(=O)[O-])=CC=C1NC1CC(COCC2=CC=CC=C2)C1	REAL300018290618	0	47	-1.0	-53.77	384.04	9.21	-44.56
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(SC)=C1	REAL300018290619	0	37	-1.0	-52.16	321.87	8.09	-44.07
COC1=CC(C(=O)[O-])=CC=C1NC1CCC2=CC(Cl)=CC=C2C1	REAL300018290620	0	40	-1.0	-50.83	337.65	9.30	-41.53
COC1=CC(C(=O)[O-])=CC=C1NC1CC(C2=CC=CC=C2Br)C1	REAL300018290621	0	40	-1.0	-51.49	342.62	9.45	-42.04
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(CC2CC2)S1	REAL300018290622	0	40	-1.0	-50.27	346.86	9.31	-40.96
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(OC2CC2)C=C1	REAL300018290623	0	41	-1.0	-52.06	342.20	8.05	-44.01
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(OC(F)(F)F)C=C1F	REAL300018290624	0	37	-1.0	-51.17	333.21	6.89	-44.28
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300018290625	0	39	-1.0	-51.65	352.86	8.96	-42.69
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(N2C=CN=C2C)C=C1C	REAL300018290626	0	46	-1.0	-54.09	378.52	10.26	-43.83
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(N2C=NC(C)=C2C)C=C1	REAL300018290627	0	46	-1.0	-54.73	379.40	10.69	-44.04
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300018290628	0	47	-1.0	-50.70	376.61	11.11	-39.59
COC1=CC(C(=O)[O-])=CC=C1NCC1=C(C)C2=CC(F)=CC=C2O1	REAL300018290630	0	39	-1.0	-51.94	336.36	8.29	-43.65
COC1=CC(C(=O)[O-])=CC=C1NC(C)CC1=CC=C(Cl)C=C1F	REAL300018290631	0	39	-1.0	-52.72	343.28	9.18	-43.54
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(C2=CC=CC=C2)=NN1C	REAL300018290632	0	43	-1.0	-54.05	361.73	8.19	-45.86
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=CC(C(C)(C)C)=C1	REAL300018290633	0	44	-1.0	-51.30	353.06	7.58	-43.72
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=C(Br)C=CC=C2S1	REAL300018290634	0	36	-1.0	-51.95	339.48	9.18	-42.77
COC1=CC(C(=O)[O-])=CC=C1NCC1=NN(CC(F)(F)F)C=C1	REAL300018290635	0	36	-1.0	-57.90	323.94	6.14	-51.76
COC1=CC(C(=O)[O-])=CC=C1NCC1=NC2=C(CCCC2)N1C	REAL300018290636	0	43	-1.0	-54.81	345.24	7.73	-47.08
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=CC=CC=C2C=N1	REAL300018290637	0	38	-1.0	-54.20	322.82	7.50	-46.70
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C)C(OC)=N1	REAL300018290638	0	39	-1.0	-53.23	328.96	4.45	-48.78
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(C(F)F)=C1F	REAL300018290639	0	36	-1.0	-57.81	320.25	8.02	-49.79
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC2=C1COCC2	REAL300018290640	0	41	-1.0	-52.16	331.47	7.01	-45.15
CCOC1=CC=C(Cl)C=C1CNC1=CC=C(C(=O)[O-])C=C1OC	REAL300018290641	0	40	-1.0	-51.94	348.67	7.85	-44.09
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=C(CCCC2)O1	REAL300018290642	0	40	-1.0	-51.85	325.94	7.90	-43.95
CCC(C)N1N=CC=C1CNC1=CC=C(C(=O)[O-])C=C1OC	REAL300018290643	0	42	-1.0	-50.99	342.96	6.83	-44.16
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COC1=CC(C)=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300018290647	0	39	-1.0	-52.17	326.26	4.48	-47.69
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COC1=CC=CC(C2CC(NC3=CC=C(C(=O)[O-])C=C3OC)C2)=C1	REAL300018290649	0	44	-1.0	-52.91	354.36	8.25	-44.66
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COC1=CC(C(=O)[O-])=CC=C1NCC=CC1=CC=C2OCOC2=C1	REAL300018290652	0	40	-1.0	-54.52	338.76	7.03	-47.49
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COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C(F)(F)C(F)(F)OC)C=C1	REAL300018290654	0	43	-1.0	-52.44	377.86	7.85	-44.59
COC1=CC=C(CC(C)NC2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300018290655	0	46	-1.0	-54.84	366.05	8.40	-46.44
CCC1=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=NN1CC	REAL300018290656	0	42	-1.0	-53.30	344.41	6.97	-46.33
COC1=CC(C(=O)[O-])=CC=C1NCC1=C(C)OC=C1C(F)(F)F	REAL300018290657	0	36	-1.0	-52.79	322.35	6.83	-45.96
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(C(C)(F)F)=C1	REAL300018290658	0	39	-1.0	-52.29	334.86	8.60	-43.69
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C2=CSC=C2)N=C1	REAL300018290659	0	39	-1.0	-53.41	344.59	7.86	-45.55
COC1=CC=C(CCC(C)NC2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300018290660	0	49	-1.0	-53.27	387.68	9.21	-44.06
COC1=CC(C(=O)[O-])=CC=C1NC1CC2CCCCCC2C1	REAL300018290661	0	46	-1.0	-50.22	342.33	9.04	-41.18
COC1=CC(C(=O)[O-])=CC=C1NC1CCC(C)C2=CC=CC=C2C1	REAL300018290662	0	46	-1.0	-51.67	352.30	9.73	-41.94
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C2=CSC=C2)C=C1	REAL300018290663	0	40	-1.0	-51.55	347.23	9.50	-42.05
CCOC1=CC(CCC(C)NC2=CC=C(C(=O)[O-])C=C2OC)=CC=C1O	REAL300018290664	0	50	-1.0	-54.60	405.06	7.49	-47.11
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC2=CC(Cl)=CC=C21	REAL300018290665	0	39	-1.0	-51.63	341.19	9.69	-41.94
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300018290666	0	44	-1.0	-52.87	387.08	10.44	-42.43
COC1=CC=CC(OC2=CC=C(CNC3=CC=C(C(=O)[O-])C=C3OC)C=C2)=C1	REAL300018290667	0	48	-1.0	-53.65	399.85	9.23	-44.42
COC1=CC=CC=C1OC1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300018290668	0	48	-1.0	-55.11	400.95	9.86	-45.25
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(SC(F)(F)F)=C1	REAL300018290669	0	37	-1.0	-50.67	338.06	8.53	-42.14
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300018290670	0	47	-1.0	-53.30	409.66	10.88	-42.42
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C2CCOCC2=C1	REAL300018290671	0	41	-1.0	-51.84	335.36	7.17	-44.67
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COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C(F)(F)F)C=C1F	REAL300018290678	0	36	-1.0	-51.91	325.96	8.11	-43.80
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COC1=CC(C(=O)[O-])=CC=C1NCC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300018290682	0	40	-1.0	-54.33	346.90	8.35	-45.98
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COC1=CC(C(=O)[O-])=CC=C1NCC1=NN(C2CC2(F)F)C=C1	REAL300018290685	0	37	-1.0	-58.97	327.57	6.51	-52.46
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(Br)=CC2=CC=CN=C21	REAL300018290686	0	38	-1.0	-54.49	343.01	8.17	-46.32
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COC1=CC(C(=O)[O-])=CC=C1NCC1=C2OC=CC2=C(F)C=C1	REAL300018290688	0	36	-1.0	-53.78	315.42	7.47	-46.31
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COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C2CCCCC2)C=C1	REAL300018290694	0	49	-1.0	-50.13	383.51	10.89	-39.24
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN(C2CCC2)N=C1C	REAL300018290695	0	43	-1.0	-53.41	351.15	7.42	-45.99
COC1=CC=CC=C1C=CCNC1=CC=C(C(=O)[O-])C=C1OC	REAL300018290696	0	41	-1.0	-53.32	341.07	7.73	-45.59
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C2=CC=CC=N2)N=C1	REAL300018290697	0	41	-1.0	-55.00	350.84	7.42	-47.58
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(C2=CC=CO2)=NN1C	REAL300018290698	0	40	-1.0	-55.19	344.97	6.32	-48.87
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300018290700	0	46	-1.0	-51.83	384.45	11.54	-40.29
COC1=CC(C(=O)[O-])=CC=C1NC1CC(C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300018290701	0	44	-1.0	-52.47	370.85	8.74	-43.73
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC(C2=CC=CC=C2)=CC=N1	REAL300018290702	0	42	-1.0	-53.84	351.25	8.66	-45.18
COC1=CC(C(=O)[O-])=CC=C1NC1CCC(C2=CC=C(C)C=C2)CC1	REAL300018290703	0	49	-1.0	-52.37	376.63	11.10	-41.27
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300018290704	0	37	-1.0	-51.20	343.69	7.42	-43.78
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COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C2SC=CC2=C1	REAL300018290706	0	36	-1.0	-51.58	318.58	8.44	-43.14
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(C2=CC=NC=C2)C=C1	REAL300018290707	0	42	-1.0	-53.35	351.07	8.74	-44.61
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC(C)=C1C(F)(F)F	REAL300018290708	0	39	-1.0	-53.20	328.05	8.95	-44.25
CCC(C)C1=CC=C(CNC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300018290709	0	45	-1.0	-50.34	360.33	9.67	-40.67
COC1=CC(C(=O)[O-])=CC=C1NC1CCC2(C1)CCOCC2	REAL300018290710	0	44	-1.0	-50.80	333.12	6.48	-44.32
COC1=CC(C(=O)[O-])=CC=C1NCC1=NC=C(CC2=CC=CC=C2)N1C	REAL300018290711	0	46	-1.0	-54.83	381.13	9.57	-45.26
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=CC2=C1CCCC2	REAL300018290712	0	43	-1.0	-50.56	340.16	9.39	-41.17
COC1=CC(C(=O)[O-])=CC=C1NCC(C)=CC1=CC(F)=CC(F)=C1	REAL300018290713	0	40	-1.0	-51.05	341.53	8.97	-42.08
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(Br)C(F)=C1OC	REAL300018290714	0	37	-1.0	-53.30	338.35	7.12	-46.18
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(N2C=CN=N2)C=C1	REAL300018290715	0	39	-1.0	-57.79	334.03	6.99	-50.80
COC1=CC(C(=O)[O-])=CC=C1NCC1=C(C)C2=CC=CC=C2C=C1	REAL300018290716	0	42	-1.0	-51.95	340.96	9.94	-42.01
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN(C(C)(C)C)N=C1C(C)C	REAL300018290717	0	51	-1.0	-53.01	406.85	8.72	-44.29
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC2=CC=CC=C2C(Br)=C1	REAL300018290718	0	39	-1.0	-52.06	346.21	9.86	-42.20
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C2NC=CC2=C1OC	REAL300018290719	0	41	-1.0	-55.92	342.95	6.46	-49.46
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(N2CCC(O)C2)C=C1	REAL300018290720	0	46	-1.0	-52.91	369.26	4.09	-48.82
CCCN1N=CC(CNC2=CC=C(C(=O)[O-])C=C2OC)=C1C	REAL300018290721	0	42	-1.0	-53.33	346.47	6.93	-46.40
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C(N2C=CC=N2)C(C)=C1	REAL300018290722	0	42	-1.0	-55.22	353.79	8.42	-46.80
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CCCN1N=C(C)C=C1CNC1=CC=C(C(=O)[O-])C=C1OC	REAL300018290724	0	42	-1.0	-51.70	346.74	6.86	-44.84
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C(C(C)(C)C)O1	REAL300018290725	0	41	-1.0	-52.35	340.85	4.57	-47.78
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CC(C)C1=CN=C(CNC(CCC(=O)[O-])C2=CC=CC=C2)S1	REAL300018290733	1	43	-1.0	-50.18	364.32	8.67	-41.51
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CC1=CN2C=C(CNC(CCC(=O)[O-])C3=CC=CC=C3)N=C2C=C1	REAL300018290762	1	44	-1.0	-52.67	364.41	10.53	-42.14
CN(C)CC1=CN=C(CNC(CCC(=O)[O-])C2=CC=CC=C2)S1	REAL300018290765	0	45	-1.0	-47.76	377.68	5.95	-41.81
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CC(C)N1C=C(CNC(CCC(=O)[O-])C2=CC=CC=C2)N=N1	REAL300018290768	0	43	-1.0	-55.83	352.88	7.14	-48.69
CN(C)CC1=CC(CNC(CCC(=O)[O-])C2=CC=CC=C2)=NO1	REAL300018290769	0	45	-1.0	-47.83	368.21	6.33	-41.50
CC1=CC=CC=C1N1C=C(CNC(CCC(=O)[O-])C2=CC=CC=C2)N=N1	REAL300018290770	0	47	-1.0	-50.21	382.64	9.59	-40.62
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CC1=NN(C)C(Cl)=C1CNC(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290800	1	41	-1.0	-49.23	353.80	7.95	-41.28
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CC1=CC=C(CNC(CCC(=O)[O-])C2=CC=CC=C2)C(Br)=C1	REAL300018290817	1	41	-1.0	-49.19	355.47	10.47	-38.72
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CN1C2=CC(Cl)=CC=C2N=C1CNC(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290827	1	44	-1.0	-49.13	378.95	10.11	-39.02
CN1C2=CC=C(Cl)C=C2N=C1CNC(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290832	1	44	-1.0	-54.76	380.00	10.20	-44.56
COC1=CC(Cl)=C(CNC(CCC(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300018290834	1	42	-1.0	-47.78	374.72	9.31	-38.47
CC1(C)CCC2=C(C1)SC(CNC(CCC(=O)[O-])C1=CC=CC=C1)=N2	REAL300018290837	1	50	-1.0	-47.00	398.98	9.75	-37.25
CCN1N=C(CNC(CCC(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C21	REAL300018290842	1	47	-1.0	-49.97	387.70	10.13	-39.84
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CCOC1=C(Br)C=C(CNCC2=CC=C(C(=O)[O-])O2)C=C1OC	REAL300018294956	0	40	-1.0	-51.71	365.80	6.86	-44.85
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CCCOC1=CC=C(Br)C=C1CNCC1=CC=C(C(=O)[O-])O1	REAL300018294959	0	39	-1.0	-51.85	354.00	7.63	-44.22
CCOC1=CC(CNCC2=CC=C(C(=O)[O-])O2)=CC=C1OC	REAL300018294960	1	40	-1.0	-52.67	341.53	6.07	-46.60
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COC1=CC(C(=O)[O-])=CC(NC2CCN(S(C)(=O)=O)CC2)=C1OC	REAL300018325407	0	45	-1.0	-57.31	370.69	3.06	-54.25
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(F)C=N2)=C1OC	REAL300018325408	0	36	-1.0	-48.47	316.34	5.31	-43.16
COC1=CC(C(=O)[O-])=CC(NCC2=C(C)N=CS2)=C1OC	REAL300018325409	0	36	-1.0	-48.32	319.26	4.82	-43.50
COC1=CC(F)=CC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300018325410	0	41	-1.0	-48.37	350.87	6.44	-41.93
COC1=CC(C(=O)[O-])=CC(NC(C)CC2=CN=CC=N2)=C1OC	REAL300018325411	0	41	-1.0	-54.03	344.03	4.94	-49.09
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C(C(C)(C)C)N=C2)=C1OC	REAL300018325412	0	47	-1.0	-48.05	386.58	7.04	-41.01
COC1=CC=CC=C1N1CCC(NC2=CC(C(=O)[O-])=CC(OC)=C2OC)CC1	REAL300018325413	0	53	-1.0	-50.83	412.79	7.15	-43.68
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C)C=C2Cl)=C1OC	REAL300018325414	0	40	-1.0	-49.80	350.77	8.15	-41.65
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C([N+](=O)[O-])C(Cl)=C2)=C1OC	REAL300018325415	0	39	-1.0	-48.55	355.63	8.11	-40.44
COC1=CC(C(=O)[O-])=CC(NCCC2=CC=CC(Cl)=C2)=C1OC	REAL300018325416	0	40	-1.0	-49.79	353.19	8.35	-41.44
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(OC3=CC=CN=C3)C(C)=C2)=C1OC	REAL300018325417	0	50	-1.0	-50.67	420.26	8.94	-41.73
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C(C3=CC=C(C)C=C3)S2)=C1OC	REAL300018325418	0	46	-1.0	-49.31	401.38	8.79	-40.52
COC1=CC(C(=O)[O-])=CC(NCC2=CC(Cl)=CC3=CC=CN=C32)=C1OC	REAL300018325419	0	42	-1.0	-53.38	371.75	8.07	-45.31
COC1=CC(C(=O)[O-])=CC(NCC2=C(Cl)C=CC3=CC=CN=C32)=C1OC	REAL300018325420	0	42	-1.0	-56.87	368.70	8.00	-48.87
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(S(C)=O)C=C2)=C1OC	REAL300018325421	0	42	-1.0	-58.21	367.17	5.67	-52.54
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C([N+](=O)[O-])C=C2Cl)=C1OC	REAL300018325422	0	39	-1.0	-48.84	357.57	8.16	-40.68
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C3=C(F)C=CC=C3F)O2)=C1OC	REAL300018325423	0	44	-1.0	-53.38	389.69	9.13	-44.25
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C3=CC=C(F)C=C3C)O2)=C1OC	REAL300018325424	0	47	-1.0	-48.44	402.15	9.72	-38.72
CCC1=CC=C(C2=CC=C(CNC3=CC(C(=O)[O-])=CC(OC)=C3OC)O2)C=C1	REAL300018325425	0	50	-1.0	-49.80	418.09	10.41	-39.39
CCC1CC(NC2=CC(C(=O)[O-])=CC(OC)=C2OC)CCO1	REAL300018325426	0	44	-1.0	-47.99	348.89	5.84	-42.15
COC1=CC(C(=O)[O-])=CC(NC2CCOC(C(C)C)C2)=C1OC	REAL300018325427	0	47	-1.0	-47.87	365.79	6.36	-41.51
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C3CCCCC3=C2)=C1OC	REAL300018325428	0	47	-1.0	-48.65	377.66	9.56	-39.09
COC1=CC(C(=O)[O-])=CC(NC2CCC(C3CCCCC3)CC2)=C1OC	REAL300018325429	0	56	-1.0	-49.57	413.35	10.25	-39.32
COC1=CC(C(=O)[O-])=CC(NC(C)CC(C)CC(C)C)=C1OC	REAL300018325430	0	51	-1.0	-49.01	386.51	9.46	-39.55
COC1=CC(C(=O)[O-])=CC(NCC(C)C2=CC=C(C)C=C2)=C1OC	REAL300018325431	0	46	-1.0	-49.78	373.46	9.08	-40.70
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1C(C)(C)C	REAL300018325432	0	53	-1.0	-48.93	415.63	9.05	-39.88
COCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)O1	REAL300018325433	0	41	-1.0	-50.22	351.28	5.09	-45.13
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC(OC(C)(C)C)=C2)=C1OC	REAL300018325434	0	50	-1.0	-50.60	395.36	8.21	-42.39
COC1=CC(C(=O)[O-])=CC(NCC(C)C2CCCCC2)=C1OC	REAL300018325435	0	49	-1.0	-48.44	371.88	8.54	-39.90
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(S(N)(=O)=O)C=C2)=C1OC	REAL300018325436	0	42	-1.0	-53.55	369.14	2.03	-51.52
COC1=CC(C(=O)[O-])=CC(NC2CCC3=CC=CC(Cl)=C3C2)=C1OC	REAL300018325437	0	44	-1.0	-53.23	367.91	9.18	-44.05
CCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C(C)=C1	REAL300018325438	0	47	-1.0	-48.71	383.43	8.02	-40.69
COC1=CC(C)=CC=C1CNC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325439	0	44	-1.0	-51.54	364.79	7.08	-44.46
COC1=CC(C(=O)[O-])=CC(NCC2=CC(Cl)=CC(Cl)=C2N)=C1OC	REAL300018325440	0	39	-1.0	-45.69	357.95	6.07	-39.62
COC1=CC(C(=O)[O-])=CC(NC2CCC(C3=CC=C(F)C=C3)C2)=C1OC	REAL300018325441	0	47	-1.0	-49.05	382.85	9.64	-39.41
COC1=CC(C(=O)[O-])=CC(NCC2=C(C)N=C(C)O2)=C1OC	REAL300018325442	0	39	-1.0	-49.10	332.99	3.21	-45.89
COCC1=CSC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300018325443	0	41	-1.0	-49.20	360.48	5.89	-43.31
CCCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)S1	REAL300018325444	0	43	-1.0	-47.84	370.05	8.52	-39.32
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C)C=N2)=C1OC	REAL300018325445	0	39	-1.0	-50.50	331.37	5.88	-44.62
COC1=CC(C(=O)[O-])=CC(NCC2=NC=CN2C(C)C)=C1OC	REAL300018325446	0	43	-1.0	-50.30	355.81	6.85	-43.45
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC([N+](=O)[O-])=C2C)=C1OC	REAL300018325447	0	42	-1.0	-50.77	354.75	8.28	-42.49
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(Br)C(C)=C2)=C1OC	REAL300018325448	0	40	-1.0	-47.05	354.45	8.26	-38.79
COC1=CC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=CC=C1Cl	REAL300018325449	0	41	-1.0	-47.95	360.49	6.92	-41.03
COC1=CC(C(=O)[O-])=CC(NCC2=CSC(C)=C2)=C1OC	REAL300018325450	0	37	-1.0	-47.75	326.82	6.81	-40.94
COC1=CC(C(=O)[O-])=CC(NCC2=C3OC=CC3=CC=C2)=C1OC	REAL300018325451	0	40	-1.0	-52.68	342.30	7.39	-45.29
COC1=CC(C(=O)[O-])=CC(NCC2=NN(C3=CC=CC=C3)C=C2)=C1OC	REAL300018325452	0	44	-1.0	-53.31	373.85	8.18	-45.13
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C(C(F)(F)F)S2)=C1OC	REAL300018325453	0	36	-1.0	-46.36	341.03	5.48	-40.88
CCC1=NN(C)C=C1CNC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325454	0	43	-1.0	-50.80	360.58	6.17	-44.63
COC1=CC(C(=O)[O-])=CC(NCC2=NN3CCCCC3=C2)=C1OC	REAL300018325455	0	44	-1.0	-52.43	359.56	6.39	-46.04
CCC1=CC=CC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300018325456	0	43	-1.0	-48.35	357.85	8.50	-39.85
COC1=NC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)S1	REAL300018325457	0	37	-1.0	-47.88	332.47	2.69	-45.19
COC1=CC(C(=O)[O-])=CC(NC2CC3=CC=C(Cl)C=C3C2)=C1OC	REAL300018325458	0	41	-1.0	-48.00	354.08	8.80	-39.20
COC1=CC(C(=O)[O-])=CC(NCC2=NC=CN=C2C)=C1OC	REAL300018325459	0	38	-1.0	-50.35	321.93	3.86	-46.49
COC1=CC(C(=O)[O-])=CC(NC2CCC3(CC3)CC2)=C1OC	REAL300018325460	0	44	-1.0	-49.30	347.32	7.94	-41.36
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=C(C=N2)OCCO3)=C1OC	REAL300018325461	0	42	-1.0	-51.43	354.39	4.41	-47.02
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C3C=CC(Cl)=CN23)=C1OC	REAL300018325462	0	40	-1.0	-49.30	358.52	8.00	-41.30
COC1=CC(C(=O)[O-])=CC(NC2C[C@@H]3CC[C@@H](C3)C2)=C1OC	REAL300018325463	0	44	-1.0	-50.04	320.27	8.58	-41.46
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C3C(C)=CC=CN23)=C1OC	REAL300018325464	0	43	-1.0	-51.77	363.25	8.09	-43.68
CCN1N=CN=C1CNC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325465	0	39	-1.0	-47.90	332.93	6.17	-41.73
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C(Cl)N2C)=C1OC	REAL300018325466	0	37	-1.0	-47.86	331.30	5.93	-41.93
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C(Br)N2C)=C1OC	REAL300018325467	0	37	-1.0	-47.96	335.59	5.95	-42.01
COC1=CC(C(=O)[O-])=CC(NCC2=CN(C3=CC=C(F)C=C3)N=N2)=C1OC	REAL300018325468	0	43	-1.0	-52.02	374.28	6.96	-45.06
COC1=CC(C(=O)[O-])=CC(NCC2=CC(C(F)(F)F)=NN2)=C1OC	REAL300018325469	0	37	-1.0	-46.75	336.02	4.40	-42.35
COC1=CC(C(=O)[O-])=CC(NCC2=NC=C(C)N2C)=C1OC	REAL300018325470	0	40	-1.0	-50.85	335.27	5.89	-44.96
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=C(F)C=CC=C3N2)=C1OC	REAL300018325471	0	41	-1.0	-50.17	353.35	7.07	-43.10
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=CC=C(F)C=C3N2)=C1OC	REAL300018325472	0	41	-1.0	-47.57	353.25	7.06	-40.51
CCOC1=CC=CC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=N1	REAL300018325473	0	43	-1.0	-50.11	363.98	4.65	-45.46
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC(Cl)=C2C)=C1OC	REAL300018325474	0	40	-1.0	-47.70	346.14	8.21	-39.49
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=CC=NC=C3S2)=C1OC	REAL300018325475	0	39	-1.0	-48.49	347.08	6.82	-41.67
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C3C=CC=C(C)N23)=C1OC	REAL300018325476	0	43	-1.0	-51.62	354.91	7.98	-43.64
COC1=CC(C(=O)[O-])=CC(NC(C)CCC2=NNC3=CC=CC=C32)=C1OC	REAL300018325477	0	49	-1.0	-53.10	403.33	8.02	-45.08
C=CCCCCCC(C)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325478	0	49	-1.0	-49.19	393.62	9.32	-39.87
C=CCCCCC(C)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325479	0	46	-1.0	-48.91	372.12	8.54	-40.37
COC1=CC(C(=O)[O-])=CC(NCC2=CC(C)=CC(Cl)=C2)=C1OC	REAL300018325480	0	40	-1.0	-47.78	353.10	8.24	-39.54
COCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300018325481	0	44	-1.0	-49.55	370.02	6.80	-42.75
COCC(CC(C)(C)C)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325482	0	49	-1.0	-47.93	378.48	7.08	-40.85
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=CC=CC(F)=C3N=C2)=C1OC	REAL300018325483	0	42	-1.0	-52.07	362.38	7.51	-44.56
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=CC=CN=C3C(C)=C2)=C1OC	REAL300018325484	0	45	-1.0	-50.81	376.19	8.27	-42.54
COC1=CC(C(=O)[O-])=CC(NC2CCCC(C(C)C)C2)=C1OC	REAL300018325485	0	49	-1.0	-49.22	371.65	8.37	-40.85
COC1=CC(C(=O)[O-])=CC(NCC2=C(C)N=NS2)=C1OC	REAL300018325486	0	35	-1.0	-47.04	314.10	4.23	-42.81
CCCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1C	REAL300018325487	0	50	-1.0	-48.60	407.89	8.84	-39.76
COC1=CC(C(=O)[O-])=CC(NCC2=NC=C(C)C(OC)=C2C)=C1OC	REAL300018325488	0	46	-1.0	-50.93	379.58	5.93	-45.00
COC1=CC2=CC=CC=C2C=C1CNC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325489	0	47	-1.0	-51.90	389.21	8.68	-43.22
CCC1CCCC(NC2=CC(C(=O)[O-])=CC(OC)=C2OC)C1	REAL300018325490	0	46	-1.0	-48.61	350.54	8.21	-40.40
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(S(C)(=O)=O)S2)=C1OC	REAL300018325491	0	40	-1.0	-54.48	368.05	3.74	-50.74
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC(F)=C2N)=C1OC	REAL300018325492	0	39	-1.0	-47.60	332.31	5.10	-42.50
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C(F)F)C=C2)=C1OC	REAL300018325494	0	40	-1.0	-48.54	347.14	7.94	-40.60
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=CC(Cl)=CN=C3O2)=C1OC	REAL300018325495	0	39	-1.0	-49.38	354.37	5.03	-44.35
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC3=C2CCC3)=C1OC	REAL300018325496	0	44	-1.0	-49.04	359.28	8.91	-40.13
COC1=CC(C(=O)[O-])=CC(NCC2=NC(Cl)=CS2)=C1OC	REAL300018325497	0	33	-1.0	-48.98	316.72	4.63	-44.35
COC1=NSC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300018325498	0	37	-1.0	-47.17	332.27	2.99	-44.18
COC1=CC(C(=O)[O-])=CC(NCC2=NC=CC3=CC=CC=C32)=C1OC	REAL300018325499	0	42	-1.0	-51.59	352.69	7.35	-44.24
COC1=CC(C(=O)[O-])=CC(NCC2=C(C)N(C)N=C2)=C1OC	REAL300018325500	0	40	-1.0	-51.20	336.46	5.29	-45.91
CCN(CC)C1=CC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1F	REAL300018325501	0	51	-1.0	-48.35	415.42	8.24	-40.11
COC1=CC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=C(SC)C=C1OC	REAL300018325502	0	49	-1.0	-52.53	411.28	7.18	-45.35
COC1=CC(C(=O)[O-])=CC(NC2CCN(C3=CC=C(N(C)C)C=C3)CC2)=C1OC	REAL300018325503	0	57	-1.0	-51.12	435.37	7.93	-43.19
COC1=CC(C(=O)[O-])=CC(NC(C)CCC2=CC=CC=C2[N+](=O)[O-])=C1OC	REAL300018325504	0	48	-1.0	-53.38	392.26	9.86	-43.52
COC1=CC(C(=O)[O-])=CC(NC2CC3CCC(C3)C2)=C1OC	REAL300018325505	0	44	-1.0	-50.77	332.82	7.42	-43.35
COC1=CC(C(=O)[O-])=CC(NC2CC(C)CC(C3=CC=CC=C3)C2)=C1OC	REAL300018325506	0	53	-1.0	-49.48	409.47	10.99	-38.49
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C(C3CC3)O2)=C1OC	REAL300018325507	0	40	-1.0	-48.85	343.68	4.37	-44.48
COC1=CC(C(=O)[O-])=CC(NC2CC(C(C)(C)C)C2)=C1OC	REAL300018325508	0	46	-1.0	-47.96	354.99	7.72	-40.24
COC1=CC(C(=O)[O-])=CC(NCC2=NC3=CC=C(F)C=C3S2)=C1OC	REAL300018325509	0	39	-1.0	-48.62	353.04	6.58	-42.04
COC1=CC(CNC2=C(OC)C(OC)=CC(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300018325510	0	47	-1.0	-50.00	389.44	8.68	-41.32
CCOC1=CN=CC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300018325511	0	43	-1.0	-49.02	361.24	5.48	-43.54
CCOC1=CC(F)=CC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300018325512	0	44	-1.0	-48.18	372.73	7.36	-40.82
COC1=CC=C(C(C)CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300018325513	0	47	-1.0	-50.70	381.53	7.69	-43.01
COC1=CC(C(=O)[O-])=CC(NCC2=CC(C3CC3)=NN2C)=C1OC	REAL300018325514	0	44	-1.0	-48.26	367.29	6.72	-41.54
COC1=CC(C(=O)[O-])=CC(NC2CCC3(CCCCC3)CC2)=C1OC	REAL300018325516	0	53	-1.0	-49.29	384.40	9.13	-40.16
COC1=CC(C(=O)[O-])=CC(NC(C)C(C)C2=CC=CC=C2)=C1OC	REAL300018325517	0	46	-1.0	-50.27	369.50	8.98	-41.29
COC1=CC(C(=O)[O-])=CC(NC2CC3=C(C2)C2=CC=CC=C2N3)=C1OC	REAL300018325518	0	45	-1.0	-50.46	369.13	8.30	-42.16
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC3=C(OC)C=CC=C23)=C1OC	REAL300018325519	0	47	-1.0	-50.47	386.16	8.53	-41.94
COC1=CC(C(=O)[O-])=CC(NCC2=CC=NN2CC2CC2)=C1OC	REAL300018325520	0	44	-1.0	-53.11	364.00	7.03	-46.08
COC1=CC(C(=O)[O-])=CC(NC(C)CCC2=CC=CN=C2)=C1OC	REAL300018325521	0	45	-1.0	-51.25	371.07	7.65	-43.60
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC(C(C)C)=C2)=C1OC	REAL300018325522	0	46	-1.0	-48.45	375.18	8.99	-39.46
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(S(N)(=O)=O)O2)=C1OC	REAL300018325523	0	39	-1.0	-54.05	352.37	0.20	-53.85
COC1=CC(C(=O)[O-])=CC(NC2CC=C(C3=CC=C(F)C=C3)CC2)=C1OC	REAL300018325524	0	48	-1.0	-49.79	395.31	10.25	-39.54
COC1=CC(C(=O)[O-])=CC(NC2CCC3(CCOCC3)CC2)=C1OC	REAL300018325525	0	51	-1.0	-50.00	375.94	6.78	-43.22
COC1=CN=CC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1C	REAL300018325526	0	43	-1.0	-48.96	355.80	5.30	-43.66
CCC1=CNC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=N1	REAL300018325527	0	40	-1.0	-50.73	337.73	5.11	-45.62
COC1=CC(C(=O)[O-])=CC(NCCC2=CC=C(F)C=C2Cl)=C1OC	REAL300018325528	0	40	-1.0	-49.95	356.61	8.32	-41.63
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=CN=CC=C3O2)=C1OC	REAL300018325529	0	39	-1.0	-49.09	337.57	5.85	-43.24
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C(F)(F)F)S2)=C1OC	REAL300018325530	0	37	-1.0	-46.57	345.82	7.36	-39.21
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=C(C)C=CC=C3N2)=C1OC	REAL300018325531	0	44	-1.0	-48.64	367.80	7.64	-41.00
CCOC1CCC(NC2=CC(C(=O)[O-])=CC(OC)=C2OC)CC1	REAL300018325532	0	47	-1.0	-49.45	365.70	6.91	-42.54
COC1=CC(C(=O)[O-])=CC(NCC2=CSC(C(F)(F)F)=C2)=C1OC	REAL300018325533	0	37	-1.0	-47.41	345.57	7.20	-40.21
CCCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C(C)=C1	REAL300018325534	0	50	-1.0	-48.48	404.92	8.81	-39.67
COC1=CC(C(=O)[O-])=CC(NCC2=NC(C)=C(C)N2)=C1OC	REAL300018325535	0	40	-1.0	-50.76	336.04	4.90	-45.86
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1OC1CC1	REAL300018325536	0	49	-1.0	-50.57	404.74	7.94	-42.63
COC1=CC(C(=O)[O-])=CC(NC2CCC3(CCCC3)CC2)=C1OC	REAL300018325537	0	50	-1.0	-49.50	373.77	8.79	-40.71
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C(F)F)N=C2)=C1OC	REAL300018325538	0	39	-1.0	-49.24	342.96	6.19	-43.05
COC1=CC(C(=O)[O-])=CC(NC2CCC3=CC=CC=C3CC2)=C1OC	REAL300018325539	0	47	-1.0	-49.52	368.01	9.21	-40.31
COC1=CC(C(=O)[O-])=CC(NCC2=NC=C(Br)S2)=C1OC	REAL300018325540	0	33	-1.0	-46.91	321.44	4.94	-41.97
CCC1(C)CCC(NC2=CC(C(=O)[O-])=CC(OC)=C2OC)CC1	REAL300018325541	0	49	-1.0	-49.46	363.95	8.02	-41.44
COC1=CC(C(=O)[O-])=CC(NC2CCCC3=CC=CC=C3C2)=C1OC	REAL300018325542	0	47	-1.0	-54.15	369.64	9.30	-44.85
COC1=CC(C(=O)[O-])=CC(NCC2=CN(C)N=C2C(F)F)=C1OC	REAL300018325543	0	40	-1.0	-54.33	351.35	5.65	-48.68
COC1=CC(C(=O)[O-])=CC(NC(C)C2CCCCCC2)=C1OC	REAL300018325544	0	49	-1.0	-48.87	364.22	8.56	-40.31
COC1=CC(C(=O)[O-])=CC(NC(C)C2=CC=C(C3=CC=CC=C3)C=N2)=C1OC	REAL300018325545	0	49	-1.0	-50.46	401.73	9.61	-40.85
CCC1(CC)CCC(NC2=CC(C(=O)[O-])=CC(OC)=C2OC)CC1	REAL300018325546	0	52	-1.0	-49.43	378.49	8.52	-40.91
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC3=C2CCOC3)=C1OC	REAL300018325547	0	45	-1.0	-49.40	364.75	6.98	-42.42
COC1=CC(C(=O)[O-])=CC(NCC2CC2C2=CC=C(F)C=C2)=C1OC	REAL300018325548	0	44	-1.0	-53.10	365.05	9.01	-44.09
COC1=CC(C(=O)[O-])=CC(NC(C)CC2=COC3=CC=CC=C23)=C1OC	REAL300018325549	0	46	-1.0	-54.81	383.16	8.94	-45.87
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC(S(N)(=O)=O)=C2)=C1OC	REAL300018325550	0	42	-1.0	-55.31	369.13	2.02	-53.29
CCCN1N=CC=C1CNC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325551	0	43	-1.0	-47.47	356.31	6.23	-41.24
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=CC=C(C)C=C3N2)=C1OC	REAL300018325552	0	44	-1.0	-48.63	368.21	7.65	-40.98
COC1=CC(C(=O)[O-])=CC(NCC2=C3CCCN3N=C2)=C1OC	REAL300018325553	0	41	-1.0	-51.77	341.43	5.66	-46.11
COC1=CC(C(=O)[O-])=CC(NCC2=NN3CCCC3=C2)=C1OC	REAL300018325554	0	41	-1.0	-53.77	341.49	5.57	-48.20
COC1=CC(C(=O)[O-])=CC(NCC2=NC=C(C(F)(F)F)S2)=C1OC	REAL300018325555	0	36	-1.0	-46.66	340.60	5.38	-41.28
COC1=CC(C(=O)[O-])=CC(NC2CCCCC(C3=CC=CC=C3)C2)=C1OC	REAL300018325556	0	53	-1.0	-50.00	404.28	10.52	-39.48
COC1=CC(C(=O)[O-])=CC(NC2CCC(C(C)C)C2)=C1OC	REAL300018325557	0	46	-1.0	-48.46	357.60	7.98	-40.48
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=CC=CN=C3O2)=C1OC	REAL300018325558	0	39	-1.0	-52.96	337.61	4.54	-48.42
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C3=CC(C)=CC(C)=C3)C=C2)=C1OC	REAL300018325559	0	53	-1.0	-49.58	431.98	11.81	-37.77
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(N3C=NC=N3)C(C)=C2)=C1OC	REAL300018325560	0	46	-1.0	-51.74	389.26	10.61	-41.13
COC1=CC(C(=O)[O-])=CC(NC2CCCC(C)CC2)=C1OC	REAL300018325561	0	46	-1.0	-49.88	347.32	7.67	-42.21
CCC1CCCC(NC2=CC(C(=O)[O-])=CC(OC)=C2OC)CC1	REAL300018325562	0	49	-1.0	-50.08	366.63	8.33	-41.75
COC1=CC(C(=O)[O-])=CC(NC2CCCC(C)(C)CC2)=C1OC	REAL300018325563	0	49	-1.0	-49.34	363.86	8.00	-41.34
COC1=CC(C(=O)[O-])=CC(NC2CCCC(C(C)(C)C)CC2)=C1OC	REAL300018325564	0	55	-1.0	-50.33	396.41	9.14	-41.19
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=CC(F)=CC=C3O2)=C1OC	REAL300018325566	0	40	-1.0	-47.94	349.25	7.65	-40.29
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(OCC(F)F)C=C2)=C1OC	REAL300018325567	0	44	-1.0	-52.68	379.32	7.62	-45.06
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=C(C=C2OC(F)F)OCO3)=C1OC	REAL300018325568	0	44	-1.0	-51.44	379.18	5.35	-46.09
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C(Br)=C1	REAL300018325569	0	41	-1.0	-50.05	362.90	6.86	-43.19
COCC1=CC=CC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300018325570	0	44	-1.0	-49.37	370.02	6.79	-42.58
COC1=CC(C(=O)[O-])=CC(NCC2=CSC(CN(C)C)=N2)=C1OC	REAL300018325571	0	44	-1.0	-49.71	377.51	3.74	-45.97
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(SC3=CC=CC=C3)C=C2)=C1OC	REAL300018325572	0	48	-1.0	-48.54	415.56	11.17	-37.37
CCC(CC1=CC=C(OC)C(OC)=C1)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325573	0	54	-1.0	-55.48	425.08	8.23	-47.25
COC1=CC(C(=O)[O-])=CC(NCCC2=CC=C(C)C=C2)=C1OC	REAL300018325574	0	43	-1.0	-49.88	357.86	8.52	-41.36
COC1=CC(C)=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1OC	REAL300018325575	0	48	-1.0	-50.39	390.79	6.98	-43.41
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC=C2C2CC2)=C1OC	REAL300018325576	0	44	-1.0	-49.13	360.34	9.11	-40.02
COC1=CC(C(=O)[O-])=CC(NCC2=CC(Br)=C(C)S2)=C1OC	REAL300018325577	0	37	-1.0	-47.10	346.51	7.51	-39.59
COC1=CC(C(=O)[O-])=CC(NCCC2=CC=C(F)C=C2F)=C1OC	REAL300018325578	0	40	-1.0	-50.60	348.33	7.95	-42.65
COC1=CC(C(=O)[O-])=CC(NCCC2=CC(C)=CC(C)=C2)=C1OC	REAL300018325579	0	46	-1.0	-50.17	379.27	9.16	-41.01
COC1=CC=C(CC(C)NC2=C(OC)C(OC)=CC(C(=O)[O-])=C2)C(C)=C1OC	REAL300018325580	0	54	-1.0	-56.65	430.26	8.42	-48.23
COC1=CC=C(N2C=C(CNC3=CC(C(=O)[O-])=CC(OC)=C3OC)C=N2)C=C1	REAL300018325581	0	48	-1.0	-51.75	403.28	7.57	-44.18
COC1=CC(C(=O)[O-])=CC(NC(C)CCC2=CSC=C2)=C1OC	REAL300018325582	0	43	-1.0	-48.88	366.22	8.36	-40.52
COCCC1=CC=C(OCC(C)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300018325583	0	54	-1.0	-49.40	438.89	7.97	-41.43
COC1=CC(C(=O)[O-])=CC(NC2CCCC(C3=CC=C(Cl)C=C3)C2)=C1OC	REAL300018325584	0	50	-1.0	-49.28	409.87	10.62	-38.66
COC1=CC(C(=O)[O-])=CC(NCC2=CC(C3=CC=CC=N3)=NN2)=C1OC	REAL300018325585	0	43	-1.0	-51.48	371.14	5.30	-46.18
COC1=CC(C(=O)[O-])=CC(NC(C)CC2=CN(C)N=C2)=C1OC	REAL300018325586	0	43	-1.0	-53.30	358.00	6.38	-46.92
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C3C(=C2)C=NN3C)=C1OC	REAL300018325587	0	42	-1.0	-51.08	359.26	6.20	-44.88
COC1=CC(C(=O)[O-])=CC(NC(C)CCC2=CC=C(F)C=C2F)=C1OC	REAL300018325588	0	46	-1.0	-51.41	388.10	9.53	-41.88
CCC(CC1=CC=C(C(F)(F)F)C=C1)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325589	0	49	-1.0	-52.19	403.10	10.01	-42.18
COCC(CC1CCOCC1)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325590	0	51	-1.0	-48.43	387.90	5.91	-42.52
COC1=CC(C(=O)[O-])=CC(NCCCC2=CN(C)N=C2)=C1OC	REAL300018325591	0	43	-1.0	-51.96	360.77	6.40	-45.56
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C(N3CCN(C)CC3)N=C2)=C1OC	REAL300018325592	0	52	-1.0	-49.10	418.33	5.36	-43.74
COC1=CC(C(=O)[O-])=CC(NC2CC=C(C3=CC=C(Cl)C=C3)CC2)=C1OC	REAL300018325593	0	48	-1.0	-49.44	405.63	10.71	-38.73
COC1=CC(C(=O)[O-])=CC(NCC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)=C1OC	REAL300018325594	0	50	-1.0	-53.10	418.35	8.73	-44.37
COC1=CC(C(=O)[O-])=CC(NCC2=NC3=C(CC(C)CC3)S2)=C1OC	REAL300018325595	0	46	-1.0	-49.70	384.28	7.42	-42.28
CCC1=CN=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)S1	REAL300018325596	0	39	-1.0	-49.29	343.14	5.78	-43.51
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(F)N=C2)=C1OC	REAL300018325597	0	36	-1.0	-48.24	316.22	5.23	-43.01
COC1=CC(C(=O)[O-])=CC(NC2CCC3COCCC3C2)=C1OC	REAL300018325598	0	48	-1.0	-48.92	364.10	6.88	-42.04
COC1=CC(C(=O)[O-])=CC(NC2CC3(C2)COC(C)(C)C3)=C1OC	REAL300018325599	0	48	-1.0	-49.67	378.50	6.73	-42.94
COC1=CC(C(=O)[O-])=CC(NC2CC3(C2)COC(C)C3)=C1OC	REAL300018325600	0	45	-1.0	-50.68	358.10	6.07	-44.61
COC1=CC(C(=O)[O-])=CC(NC2CCOC3=CC=CC=C3C2)=C1OC	REAL300018325601	0	45	-1.0	-49.52	362.32	7.52	-42.00
COC1=CC(C(=O)[O-])=CC(NC2CCCC3=C(C=CS3)C2)=C1OC	REAL300018325602	0	44	-1.0	-52.71	361.85	8.44	-44.27
COC1=CC(C(=O)[O-])=CC(NCC2=C3C(=CC=C2)N=CN3C)=C1OC	REAL300018325603	0	43	-1.0	-50.40	355.44	8.51	-41.89
COC1=CC=C(C)C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1	REAL300018325604	0	44	-1.0	-49.88	361.58	7.08	-42.80
COC1=CC(C(=O)[O-])=CC(NCC2=NOC(C3CCC3)=C2)=C1OC	REAL300018325605	0	43	-1.0	-49.22	360.11	7.30	-41.92
COC1=CC(C(=O)[O-])=CC(NCC2=NOC(C3(C)CC3)=C2)=C1OC	REAL300018325606	0	43	-1.0	-49.19	362.52	7.20	-41.99
CCC1=CC=CC=C1CNC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325607	0	43	-1.0	-48.57	350.84	8.46	-40.11
COC1=CC(C(=O)[O-])=CC(NCC2=CC(C)=CC(F)=C2)=C1OC	REAL300018325608	0	40	-1.0	-48.17	342.78	7.81	-40.36
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C)C(C)=C2C)=C1OC	REAL300018325609	0	46	-1.0	-48.83	366.81	8.89	-39.94
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C3CCCCCN23)=C1OC	REAL300018325610	0	47	-1.0	-50.09	371.03	7.46	-42.63
COC1=CC=C2SC(CNC3=CC(C(=O)[O-])=CC(OC)=C3OC)=CC2=C1	REAL300018325611	0	44	-1.0	-49.86	381.89	7.89	-41.97
COC1=CC(C(=O)[O-])=CC(NCC2=CC(C3=CC=CC=C3)=NO2)=C1OC	REAL300018325612	0	43	-1.0	-49.17	369.92	8.23	-40.94
CCN1CCC2=CC(CNC3=CC(C(=O)[O-])=CC(OC)=C3OC)=CC=C21	REAL300018325613	0	49	-1.0	-48.88	391.86	7.57	-41.31
COC1=CC(C(=O)[O-])=CC(NC2CCC3(COC(C)(C)C3)CC2)=C1OC	REAL300018325614	0	54	-1.0	-51.02	401.68	7.53	-43.49
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(SC)C(Cl)=C2)=C1OC	REAL300018325615	0	41	-1.0	-48.53	370.18	8.54	-39.99
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C3CC3)C(C)=C2)=C1OC	REAL300018325616	0	47	-1.0	-48.57	381.38	9.70	-38.87
COC1=CC=CC2=C1CCCC(NC1=CC(C(=O)[O-])=CC(OC)=C1OC)C2	REAL300018325617	0	51	-1.0	-53.38	397.14	8.66	-44.72
CCOC1=CC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=CC=N1	REAL300018325618	0	43	-1.0	-49.20	363.90	4.72	-44.48
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C)C(C3CC3)=C2)=C1OC	REAL300018325619	0	47	-1.0	-48.81	381.39	9.70	-39.11
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(N3C=CC(C)=N3)C=C2C)=C1OC	REAL300018325620	0	50	-1.0	-52.27	412.40	9.56	-42.71
COC1=CC(C(=O)[O-])=CC(NC2CC(C3CCC3)C2)=C1OC	REAL300018325621	0	44	-1.0	-48.33	351.10	8.17	-40.16
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C(C3CCOCC3)O2)=C1OC	REAL300018325622	0	47	-1.0	-49.12	387.24	3.53	-45.59
COC1=CC(C(=O)[O-])=CC(NCC2=NOC(C3CC3)=C2)=C1OC	REAL300018325623	0	40	-1.0	-49.46	343.54	6.78	-42.68
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C3OC(C)C(C)C3=C2)=C1OC	REAL300018325624	0	48	-1.0	-49.25	388.35	8.16	-41.09
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C)C(OC(F)F)=C2)=C1OC	REAL300018325625	0	44	-1.0	-52.64	374.29	7.40	-45.24
COC1=CC(C(=O)[O-])=CC(NCC2=CC(C(C)C)=CC=C2O)=C1OC	REAL300018325626	0	47	-1.0	-50.79	385.22	6.17	-44.62
COC1=CC(C(=O)[O-])=CC(NCC2=C(C)C(C(F)(F)F)=NN2)=C1OC	REAL300018325627	0	40	-1.0	-46.40	352.42	4.90	-41.50
COC1=CC(C(=O)[O-])=CC(NC2CCC3(CCC3)CC2)=C1OC	REAL300018325628	0	47	-1.0	-49.39	359.76	8.27	-41.12
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C)C(O)=C2)=C1OC	REAL300018325629	0	41	-1.0	-49.81	346.05	4.97	-44.84
COC1=CC(C(=O)[O-])=CC(NCC2=NC(C3CC3)=CS2)=C1OC	REAL300018325630	0	40	-1.0	-49.69	350.59	6.27	-43.42
COC1=CC(C(=O)[O-])=CC(NCC2=CN(CC3CC3)N=N2)=C1OC	REAL300018325631	0	43	-1.0	-53.18	364.49	5.96	-47.22
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C3CCOC3=C2)=C1OC	REAL300018325632	0	42	-1.0	-50.80	350.81	6.91	-43.89
COC1=CC(C(=O)[O-])=CC(NCC2=NC3=C(CCCC3)N2)=C1OC	REAL300018325633	0	44	-1.0	-50.79	357.91	6.12	-44.67
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C3COCCC3=C2)=C1OC	REAL300018325634	0	45	-1.0	-49.49	368.69	7.16	-42.33
COC1=CC(C(=O)[O-])=CC(NCC2=CN=CC(C3=CC=CN=C3)=C2)=C1OC	REAL300018325635	0	45	-1.0	-51.61	379.24	6.92	-44.69
COC1=CC(C(=O)[O-])=CC(NC2CC(COCC3=CC=CC=C3)C2)=C1OC	REAL300018325636	0	51	-1.0	-51.42	417.33	9.19	-42.23
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC(SC)=C2)=C1OC	REAL300018325637	0	41	-1.0	-50.04	355.17	8.08	-41.96
COC1=CC(C(=O)[O-])=CC(NC2CCC3=CC(Cl)=CC=C3C2)=C1OC	REAL300018325638	0	44	-1.0	-49.90	371.05	9.30	-40.60
COC1=CC(C(=O)[O-])=CC(NC2CC3C(C2)C3(C)C)=C1OC	REAL300018325639	0	44	-1.0	-48.01	344.19	7.82	-40.19
CCN1C=CC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=N1	REAL300018325640	0	40	-1.0	-52.58	339.36	5.63	-46.95
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(CC3CC3)S2)=C1OC	REAL300018325641	0	44	-1.0	-47.87	380.16	9.31	-38.56
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(OC3CC3)C=C2)=C1OC	REAL300018325642	0	45	-1.0	-49.23	375.50	8.04	-41.19
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(OC(F)(F)F)C=C2F)=C1OC	REAL300018325643	0	41	-1.0	-47.97	366.51	6.88	-41.09
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(N3C=CN=C3C)C=C2C)=C1OC	REAL300018325644	0	50	-1.0	-50.13	411.82	10.25	-39.88
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(N3C=NC(C)=C3C)C=C2)=C1OC	REAL300018325645	0	50	-1.0	-50.80	412.70	10.68	-40.12
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C3CC3)C(C3CC3)=C2)=C1OC	REAL300018325646	0	51	-1.0	-48.63	409.91	11.10	-37.53
COC1=CC(C(=O)[O-])=CC(NCC2=C(C)C3=CC(F)=CC=C3O2)=C1OC	REAL300018325648	0	43	-1.0	-47.96	368.79	8.26	-39.70
COC1=CC(C(=O)[O-])=CC(NC(C)CC2=CC=C(Cl)C=C2F)=C1OC	REAL300018325649	0	43	-1.0	-52.72	376.69	9.17	-43.55
COC1=CC(C(=O)[O-])=CC(NCC2=CC(C3=CC=CC=C3)=NN2C)=C1OC	REAL300018325650	0	47	-1.0	-49.61	395.03	8.18	-41.43
CCCN1C=CC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=N1	REAL300018325651	0	43	-1.0	-52.43	360.86	6.39	-46.04
COC1=CC(C(=O)[O-])=CC(NCC2=NN(C(C)C)C=C2)=C1OC	REAL300018325652	0	43	-1.0	-52.04	358.05	6.16	-45.88
COC1=CC(C(=O)[O-])=CC(NCC2=CN=CC(C(C)(C)C)=C2)=C1OC	REAL300018325653	0	48	-1.0	-48.27	386.36	7.57	-40.70
COC1=CC(C(=O)[O-])=CC(NCC2=NN(CC(F)(F)F)C=C2)=C1OC	REAL300018325654	0	40	-1.0	-55.71	357.24	6.13	-49.58
COC1=CC(C(=O)[O-])=CC(NCC2=NC3=C(CCCC3)N2C)=C1OC	REAL300018325655	0	47	-1.0	-51.68	378.54	7.72	-43.96
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC(C)=N2)=C1OC	REAL300018325656	0	39	-1.0	-51.03	331.52	5.85	-45.18
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=CC=CC=C3C=N2)=C1OC	REAL300018325657	0	42	-1.0	-52.27	356.11	7.49	-44.78
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C)C(OC)=N2)=C1OC	REAL300018325658	0	43	-1.0	-50.29	362.25	4.44	-45.85
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC(C(F)F)=C2F)=C1OC	REAL300018325659	0	40	-1.0	-56.54	353.55	8.01	-48.53
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC3=C2COCC3)=C1OC	REAL300018325660	0	45	-1.0	-50.29	364.77	7.01	-43.28
CCOC1=CC=C(Cl)C=C1CNC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325661	0	44	-1.0	-50.36	381.97	7.85	-42.51
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=C(CCCC3)O2)=C1OC	REAL300018325662	0	44	-1.0	-49.00	359.24	7.90	-41.10
CCC(C)N1N=CC=C1CNC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325663	0	46	-1.0	-47.47	376.29	6.83	-40.64
COC1=CC(C(=O)[O-])=CC(NCC2=CN(C3CCCCC3)N=C2)=C1OC	REAL300018325664	0	50	-1.0	-49.32	399.61	8.11	-41.21
COC1=CC(C(=O)[O-])=CC(NC2CC3CCCCC3C2)=C1OC	REAL300018325665	0	47	-1.0	-48.76	360.37	8.49	-40.27
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC(C(C)(C)C)=C2OC)=C1OC	REAL300018325666	0	53	-1.0	-49.92	406.92	9.45	-40.47
COC1=CC(C(=O)[O-])=CC(NCC2=NC(Br)=CN2C)=C1OC	REAL300018325667	0	37	-1.0	-51.26	336.32	5.89	-45.37
COC1=CC(C)=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C=N1	REAL300018325668	0	43	-1.0	-48.19	359.57	4.46	-43.73
COC1=CC(C(=O)[O-])=CC(NCC2=NC3=CC=CC=C3S2)=C1OC	REAL300018325669	0	39	-1.0	-51.50	346.62	6.52	-44.98
COC1=CC=CC(C2CC(NC3=CC(C(=O)[O-])=CC(OC)=C3OC)C2)=C1	REAL300018325670	0	48	-1.0	-50.00	387.52	8.27	-41.73
COC1=CC(C(=O)[O-])=CC(NC2CC(C3=NC(C)=NO3)C2)=C1OC	REAL300018325671	0	42	-1.0	-50.11	353.48	4.67	-45.44
COC1=CC(C(=O)[O-])=CC(NC2CC(C3CCOCC3)C2)=C1OC	REAL300018325672	0	48	-1.0	-49.53	375.72	6.91	-42.62
CCCN1C=NC=C1CNC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325673	0	43	-1.0	-49.61	357.04	7.97	-41.64
COC1=CC(C(=O)[O-])=CC(NCC=CC2=CC=C3OCOC3=C2)=C1OC	REAL300018325674	0	44	-1.0	-51.64	372.06	7.02	-44.62
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(CC3CCC3)C=C2)=C1OC	REAL300018325675	0	50	-1.0	-48.30	406.07	10.59	-37.71
COC1=CC=C(CC(C)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)C(C)=C1	REAL300018325676	0	50	-1.0	-52.87	399.46	8.39	-44.48
CCC1=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C=NN1CC	REAL300018325677	0	46	-1.0	-50.21	377.71	6.96	-43.25
COC1=CC(C(=O)[O-])=CC(NCC2=C(C)OC=C2C(F)(F)F)=C1OC	REAL300018325678	0	40	-1.0	-50.45	355.65	6.82	-43.63
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC(C(C)(F)F)=C2)=C1OC	REAL300018325679	0	43	-1.0	-49.25	368.17	8.59	-40.66
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C3=CSC=C3)N=C2)=C1OC	REAL300018325680	0	43	-1.0	-50.05	377.89	7.85	-42.20
COC1=CC=C(CCC(C)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)C(C)=C1	REAL300018325681	0	53	-1.0	-50.75	421.11	9.21	-41.54
COC1=CC(C(=O)[O-])=CC(NC2CC3CCCCCC3C2)=C1OC	REAL300018325682	0	50	-1.0	-48.62	375.60	9.03	-39.59
COC1=CC(C(=O)[O-])=CC(NC2CCC(C)C3=CC=CC=C3C2)=C1OC	REAL300018325683	0	50	-1.0	-54.00	385.66	9.72	-44.28
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C3=CSC=C3)C=C2)=C1OC	REAL300018325684	0	44	-1.0	-48.95	380.53	9.50	-39.45
CCOC1=CC(CCC(C)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)=CC=C1O	REAL300018325685	0	54	-1.0	-51.81	438.34	7.48	-44.33
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC3=CC(Cl)=CC=C32)=C1OC	REAL300018325686	0	43	-1.0	-49.02	374.49	9.68	-39.34
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC(SC(F)(F)F)=C2)=C1OC	REAL300018325687	0	41	-1.0	-47.21	371.36	8.53	-38.68
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C3CCOCC3=C2)=C1OC	REAL300018325688	0	45	-1.0	-49.55	368.60	7.14	-42.41
COC1=CC(C(=O)[O-])=CC(NCC2=C(C)C3=CC=C(F)C=C3S2)=C1OC	REAL300018325689	0	43	-1.0	-48.16	376.37	9.17	-38.99
COC1=CC(C(=O)[O-])=CC(NCC2=CC(C3=CC=NC=C3)=NN2)=C1OC	REAL300018325690	0	43	-1.0	-49.20	369.58	5.23	-43.97
COC1=CC(C(=O)[O-])=CC(NCC=CC2=CC=NC=C2)=C1OC	REAL300018325691	0	40	-1.0	-49.91	341.02	6.60	-43.31
CCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)N=C1	REAL300018325692	0	42	-1.0	-50.22	352.85	6.64	-43.58
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1OCCO	REAL300018325693	0	49	-1.0	-53.53	406.93	4.11	-49.42
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=CN=CC=C3C=C2)=C1OC	REAL300018325694	0	42	-1.0	-49.69	355.95	7.55	-42.14
COC1=CC(C(=O)[O-])=CC(NCC2=C3OC(C)=CC3=CC=C2)=C1OC	REAL300018325695	0	43	-1.0	-53.16	364.20	8.22	-44.94
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C(F)(F)F)C=C2F)=C1OC	REAL300018325696	0	40	-1.0	-48.68	359.27	8.10	-40.58
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(OC(C)C)C(F)=C2)=C1OC	REAL300018325697	0	47	-1.0	-49.54	390.48	8.00	-41.54
COC1=CC(C(=O)[O-])=CC(NCC2=CC(C)=NN2C2CCCC2)=C1OC	REAL300018325698	0	50	-1.0	-47.75	403.04	8.14	-39.61
COC1=CC(C(=O)[O-])=CC(NCC2=CC=NN2CC(F)F)=C1OC	REAL300018325699	0	40	-1.0	-48.92	337.74	6.03	-42.89
COC1=CC(C(=O)[O-])=CC(NCC2=CN(C3=CC=CC(F)=C3)N=C2)=C1OC	REAL300018325701	0	44	-1.0	-51.72	380.20	8.34	-43.38
COC1=CC(C(=O)[O-])=CC(NCC2=NN(C3CCC3)C=C2)=C1OC	REAL300018325702	0	44	-1.0	-52.00	361.07	6.63	-45.37
COC1=CC(C(=O)[O-])=CC(NCC2=NN(CC(F)F)C=C2)=C1OC	REAL300018325703	0	40	-1.0	-54.99	351.21	5.95	-49.04
COC1=CC(C(=O)[O-])=CC(NCC2=NN(C3CC3(F)F)C=C2)=C1OC	REAL300018325704	0	41	-1.0	-55.57	360.87	6.50	-49.07
COC1=CC(C(=O)[O-])=CC(NCC2=NC(C)=CN2C)=C1OC	REAL300018325705	0	40	-1.0	-52.04	337.39	6.02	-46.02
COC1=CC(C(=O)[O-])=CC(NC2CC3CCCC(C3)C2)=C1OC	REAL300018325706	0	47	-1.0	-50.94	349.97	8.00	-42.94
COC1=CC(C(=O)[O-])=CC(NCC2=NN(C3CCCC3)C=C2)=C1OC	REAL300018325707	0	47	-1.0	-51.34	379.21	7.33	-44.01
COC1=CC(C(=O)[O-])=CC(NCC2=C3OC=CC3=C(F)C=C2)=C1OC	REAL300018325708	0	40	-1.0	-50.93	348.73	7.46	-43.47
COC1=CC(C(=O)[O-])=CC(NCC2=C3OC=CC3=CC(Cl)=C2)=C1OC	REAL300018325709	0	40	-1.0	-50.49	359.03	7.90	-42.59
COC1=CC(C(=O)[O-])=CC(NCC=CC2=CC=CC=C2)=C1OC	REAL300018325710	0	41	-1.0	-48.87	346.00	8.37	-40.50
COC1=CC=C2SC(CNC3=CC(C(=O)[O-])=CC(OC)=C3OC)=NC2=C1	REAL300018325711	0	43	-1.0	-52.62	376.15	5.79	-46.83
COC1=CC(C(=O)[O-])=CC(NCC2=NN(C)C(C3=CC=CO3)=C2)=C1OC	REAL300018325712	0	44	-1.0	-52.19	376.59	6.38	-45.81
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C3CCCCC3)C=C2)=C1OC	REAL300018325713	0	53	-1.0	-47.96	416.81	10.88	-37.08
COC1=CC(C(=O)[O-])=CC(NCC2=CN(C3CCC3)N=C2C)=C1OC	REAL300018325714	0	47	-1.0	-49.99	384.45	7.41	-42.58
COC1=CC=CC=C1C=CCNC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325715	0	45	-1.0	-51.93	374.37	7.72	-44.21
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C3=CC=CC=N3)N=C2)=C1OC	REAL300018325716	0	45	-1.0	-51.20	384.14	7.41	-43.79
COC1=CC(C(=O)[O-])=CC(NCC2=CC(C3=CC=CO3)=NN2C)=C1OC	REAL300018325717	0	44	-1.0	-50.78	378.27	6.31	-44.47
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(CC3=CC=CC=C3)C=C2)=C1OC	REAL300018325719	0	50	-1.0	-49.87	417.75	11.53	-38.34
COC1=CC(C(=O)[O-])=CC(NCC2=CC(C3=CC=CC=C3)=CC=N2)=C1OC	REAL300018325720	0	46	-1.0	-51.61	384.55	8.66	-42.95
COC1=CC(C(=O)[O-])=CC(NC2CCC(C3=CC=C(C)C=C3)CC2)=C1OC	REAL300018325721	0	53	-1.0	-50.92	414.48	10.76	-40.16
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(CF)C=C2)=C1OC	REAL300018325722	0	40	-1.0	-49.48	342.94	7.89	-41.59
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C3SC=CC3=C2)=C1OC	REAL300018325723	0	40	-1.0	-48.45	351.88	8.43	-40.02
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(C3=CC=NC=C3)C=C2)=C1OC	REAL300018325724	0	46	-1.0	-50.47	384.37	8.74	-41.73
COC1=CC(C(=O)[O-])=CC(NC(C)CC2=CN(C)N=C2)=C1OC	REAL300018325725	0	43	-1.0	-53.30	358.00	6.38	-46.92
COC1=CC(C(=O)[O-])=CC(NC2CC3CC=CCC3C2)=C1OC	REAL300018325726	0	45	-1.0	-48.37	352.44	8.38	-39.99
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC(C)=C2C(F)(F)F)=C1OC	REAL300018325727	0	43	-1.0	-51.83	361.36	8.94	-42.89
C=CCN1C=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C=N1	REAL300018325728	0	41	-1.0	-50.35	352.10	6.29	-44.06
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=NNC=C3C=C2)=C1OC	REAL300018325729	0	40	-1.0	-56.01	341.21	5.79	-50.22
CCC(C)C1=CC=C(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)C=C1	REAL300018325730	0	49	-1.0	-48.04	393.63	9.66	-38.38
COC1=CC(C(=O)[O-])=CC(NC2CCC3(C2)CCOCC3)=C1OC	REAL300018325731	0	48	-1.0	-49.34	366.42	6.48	-42.86
COC1=CC(C(=O)[O-])=CC(NCC2=NC=C(CC3=CC=CC=C3)N2C)=C1OC	REAL300018325732	0	50	-1.0	-51.14	414.40	9.56	-41.58
COC1=CC(C(=O)[O-])=CC(NCC2=CC=CC3=C2CCCC3)=C1OC	REAL300018325733	0	47	-1.0	-48.83	373.46	9.38	-39.45
COC1=CC(C(=O)[O-])=CC(NCC(C)=CC2=CC(F)=CC(F)=C2)=C1OC	REAL300018325734	0	44	-1.0	-47.63	374.83	8.97	-38.66
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(N3C=CN=N3)C=C2)=C1OC	REAL300018325735	0	43	-1.0	-53.97	367.33	6.98	-46.99
COC1=CC(C(=O)[O-])=CC(NCC2=C(C)C3=CC=CC=C3C=C2)=C1OC	REAL300018325736	0	46	-1.0	-49.56	374.52	9.71	-39.85
COC1=CC(C(=O)[O-])=CC(NCC2=CN(C(C)(C)C)N=C2C(C)C)=C1OC	REAL300018325737	0	55	-1.0	-50.17	440.13	8.71	-41.46
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C3NC=CC3=C2OC)=C1OC	REAL300018325738	0	45	-1.0	-54.35	373.90	6.88	-47.47
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(N3CCC(O)C3)C=C2)=C1OC	REAL300018325739	0	50	-1.0	-50.48	402.56	4.08	-46.40
CCCN1N=CC(CNC2=CC(C(=O)[O-])=CC(OC)=C2OC)=C1C	REAL300018325740	0	46	-1.0	-50.10	379.64	6.92	-43.18
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C(N3C=CC=N3)C(C)=C2)=C1OC	REAL300018325741	0	46	-1.0	-50.55	387.09	8.41	-42.14
COC1=CC(C(=O)[O-])=CC(NC2CCC2CC2=CC=CC=C2)=C1OC	REAL300018325742	0	47	-1.0	-49.24	380.16	10.07	-39.17
CCCN1N=C(C)C=C1CNC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300018325743	0	46	-1.0	-47.78	378.24	6.80	-40.98
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C(C(C)(C)C)O2)=C1OC	REAL300018325744	0	45	-1.0	-48.60	374.15	4.56	-44.04
CC(NC(=O)C1=CC=C(NCC2=CC(Cl)=CC3=C2OCC3)C=C1)C(=O)[O-]	REAL300018325745	0	44	-1.0	-47.57	383.42	7.41	-40.16
CC(CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300018325746	0	48	-1.0	-46.59	388.77	9.14	-37.45
CC(NC(=O)C1=CC=C(NCC2=CN(C)N=C2C2CCCCC2)C=C1)C(=O)[O-]	REAL300018325747	0	55	-1.0	-48.49	437.45	8.62	-39.87
CC(NC(=O)C1=CC=C(NCC2=CN(CC3=CC=CN=C3)N=N2)C=C1)C(=O)[O-]	REAL300018325748	0	47	-1.0	-54.98	403.61	5.66	-49.32
CCC1CCCC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C1	REAL300018325749	0	51	-1.0	-44.71	391.60	8.76	-35.95
CC(NC(=O)C1=CC=C(NCC2CCCCC2C)C=C1)C(=O)[O-]	REAL300018325750	0	48	-1.0	-44.88	363.12	7.71	-37.17
CC(C)C1=CN=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)S1	REAL300018325751	0	44	-1.0	-46.70	379.01	6.46	-40.24
CC(NC(=O)C1=CC=C(NCC=CC2=CC=C(F)C=C2F)C=C1)C(=O)[O-]	REAL300018325752	0	43	-1.0	-47.83	373.41	8.51	-39.32
CC(NC(=O)C1=CC=C(NCC2CC3CCC2C3)C=C1)C(=O)[O-]	REAL300018325753	0	46	-1.0	-44.89	356.77	7.77	-37.12
CC(NC(=O)C1=CC=C(NCC2=C(Br)C=CS2)C=C1)C(=O)[O-]	REAL300018325754	0	36	-1.0	-45.74	340.29	6.71	-39.03
CC(C)C1=CC=C(CCNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300018325755	0	51	-1.0	-46.36	412.17	9.81	-36.55
CC1=CN2C=C(CNC3=CC=C(C(=O)NC(C)C(=O)[O-])C=C3)N=C2C=C1	REAL300018325756	0	45	-1.0	-51.40	378.98	8.23	-43.17
CC(NC(=O)C1=CC=C(NCC2=NN(C)N=N2)C=C1)C(=O)[O-]	REAL300018325757	0	37	-1.0	-50.22	322.05	2.84	-47.38
CC(NC(=O)C1=CC=C(NCC2=CC=C3OC=CC3=C2)C=C1)C(=O)[O-]	REAL300018325758	0	42	-1.0	-48.65	358.00	7.42	-41.23
CC(NC(=O)C1=CC=C(NCC2=NC=C(CN(C)C)S2)C=C1)C(=O)[O-]	REAL300018325759	0	46	-1.0	-46.90	392.31	3.80	-43.10
COCC1=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=NO1	REAL300018325760	0	42	-1.0	-48.99	361.20	4.28	-44.71
CC1=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)N(C)N=C1	REAL300018325761	0	42	-1.0	-47.74	350.67	5.23	-42.51
CC(C)N1C=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)N=N1	REAL300018325762	0	44	-1.0	-51.96	367.68	4.96	-47.00
CC(NC(=O)C1=CC=C(NCC2=NOC(CN(C)C)=C2)C=C1)C(=O)[O-]	REAL300018325763	0	46	-1.0	-47.53	383.63	4.11	-43.42
CC1=CC=CC=C1N1C=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)N=N1	REAL300018325764	0	48	-1.0	-51.72	404.66	7.80	-43.92
CC(NC(=O)C1=CC=C(NCC2=CC=CN=C2N(C)C)C=C1)C(=O)[O-]	REAL300018325765	0	46	-1.0	-47.85	381.65	5.91	-41.94
CC(NC(=O)C1=CC=C(NCC2=CN=CC=N2)C=C1)C(=O)[O-]	REAL300018325766	0	37	-1.0	-49.01	320.62	3.36	-45.65
COCCOCC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300018325767	0	53	-1.0	-49.12	441.15	7.05	-42.07
CC(NC(=O)C1=CC=C(NCC2=CC=C(C3CCCC3)C=C2)C=C1)C(=O)[O-]	REAL300018325768	0	52	-1.0	-45.59	414.47	10.25	-35.34
COC1=CC=C(F)C=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325769	0	43	-1.0	-47.42	365.46	6.49	-40.93
CC(NC(=O)C1=CC=C(NCC2=CN(CC(F)F)N=C2)C=C1)C(=O)[O-]	REAL300018325770	0	42	-1.0	-50.48	368.27	6.01	-44.47
CC(NC(=O)C1=CC=C(NCC2=CC=CC=C2C2=CC=NN2C)C=C1)C(=O)[O-]	REAL300018325771	0	49	-1.0	-50.50	404.77	8.64	-41.86
CC(NC(=O)C1=CC=C(NCC2=CC=C(C3CCC3)C=C2)C=C1)C(=O)[O-]	REAL300018325772	0	49	-1.0	-45.68	396.69	9.65	-36.03
CC1=NOC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325773	0	38	-1.0	-48.69	327.42	5.09	-43.60
CC1=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=CS1	REAL300018325774	0	39	-1.0	-45.30	340.06	6.81	-38.49
CC(NC(=O)C1=CC=C(NCC2=CC=CC=C2N2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300018325775	0	55	-1.0	-46.81	438.44	7.24	-39.57
CC1=CN=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)S1	REAL300018325776	0	38	-1.0	-46.99	337.15	5.04	-41.95
CC1=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)N2C(C3CC3)=CSC2=N1	REAL300018325777	0	49	-1.0	-48.97	417.08	9.21	-39.76
CC(NC(=O)C1=CC=C(NCC2=CC=C3CCCC3=N2)C=C1)C(=O)[O-]	REAL300018325778	0	45	-1.0	-48.27	371.10	7.11	-41.16
CC1=CC=CC=C1C1=CC=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325779	0	52	-1.0	-46.64	422.41	10.89	-35.75
CC(NC(=O)C1=CC=C(NCC2=CC=NN2C2CCCC2)C=C1)C(=O)[O-]	REAL300018325780	0	49	-1.0	-46.94	396.78	7.56	-39.38
CCN1N=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=N1	REAL300018325781	0	41	-1.0	-48.73	349.12	4.14	-44.59
CC(NC(=O)C1=CC=C(NCC2=CC=C(C3CC3)C=C2)C=C1)C(=O)[O-]	REAL300018325782	0	46	-1.0	-45.95	380.15	9.16	-36.79
CC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)N=N1	REAL300018325783	0	40	-1.0	-51.40	342.13	4.79	-46.61
CC1=NN(C2=CC=CC(F)=C2)C=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325784	0	49	-1.0	-49.87	417.49	8.89	-40.98
CC1=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=CC=C1C(F)(F)F	REAL300018325785	0	45	-1.0	-46.91	385.35	8.57	-38.34
CC(NC(=O)C1=CC=C(NCC2=CN=NN2C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018325786	0	45	-1.0	-49.85	379.24	7.28	-42.57
CCC1=CC=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=C1O	REAL300018325787	0	46	-1.0	-46.91	382.26	5.77	-41.14
CCCCOC1=CC=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325788	0	52	-1.0	-47.26	424.22	8.90	-38.36
CC(NC(=O)C1=CC=C(NCC2=CC=C3OCCOC3=C2)C=C1)C(=O)[O-]	REAL300018325789	0	45	-1.0	-49.09	375.12	6.24	-42.85
CC(NC(=O)C1=CC=C(NCC2=CC=CC(Br)=C2)C=C1)C(=O)[O-]	REAL300018325790	0	39	-1.0	-46.25	351.90	7.70	-38.55
COC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1OC	REAL300018325791	0	47	-1.0	-49.68	389.68	6.25	-43.43
CC(NC(=O)C1=CC=C(NCC2=CC=CC=C2C(F)(F)F)C=C1)C(=O)[O-]	REAL300018325792	0	42	-1.0	-47.75	360.79	8.32	-39.43
CCOC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1OC	REAL300018325793	0	50	-1.0	-49.13	411.22	7.20	-41.93
CC1=CC=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325794	0	42	-1.0	-45.63	347.74	7.81	-37.82
CCC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300018325795	0	45	-1.0	-45.49	373.50	8.53	-36.96
CC(NC(=O)C1=CC=C(NCC2=CC=C(C3=CC=C(F)C=C3)O2)C=C1)C(=O)[O-]	REAL300018325796	0	46	-1.0	-48.03	397.27	9.04	-38.99
CC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1C	REAL300018325797	0	45	-1.0	-46.14	369.34	8.26	-37.88
CC(NC(=O)C1=CC=C(NCC2=CC(Br)=CS2)C=C1)C(=O)[O-]	REAL300018325798	0	36	-1.0	-45.44	342.31	6.80	-38.64
CC(NC(=O)C1=CC=C(NCC2=CN(C)N=C2)C=C1)C(=O)[O-]	REAL300018325799	0	39	-1.0	-49.37	333.42	4.88	-44.49
CC(NC(=O)C1=CC=C(NCC2=CSC(C3=CC=C(F)C=C3)=N2)C=C1)C(=O)[O-]	REAL300018325800	0	45	-1.0	-47.86	401.87	7.92	-39.94
CC1=NN(C)C(Cl)=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325801	0	42	-1.0	-47.66	368.76	5.71	-41.95
CC(NC(=O)C1=CC=C(NCC2=CC=C(N3C=CC=N3)C=C2)C=C1)C(=O)[O-]	REAL300018325802	0	46	-1.0	-50.94	389.28	8.26	-42.68
CCOC1=CC=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=C1	REAL300018325803	0	46	-1.0	-47.33	381.97	7.31	-40.02
CC(NC(=O)C1=CC=C(NCC2=CC=CC3=C2OCO3)C=C1)C(=O)[O-]	REAL300018325804	0	42	-1.0	-48.99	356.46	5.76	-43.23
CC(NC(=O)C1=CC=C(NCC2=CSN=N2)C=C1)C(=O)[O-]	REAL300018325805	0	34	-1.0	-49.46	309.25	3.45	-46.01
CC(NC(=O)C1=CC=C(NCC2CC=CCC2)C=C1)C(=O)[O-]	REAL300018325806	0	43	-1.0	-45.69	345.24	7.32	-38.37
CC(NC(=O)C1=CC=C(NCC2CCCCC2)C=C1)C(=O)[O-]	REAL300018325807	0	45	-1.0	-44.99	352.70	7.46	-37.53
COC1=NC2=CC=CC=C2C=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325808	0	48	-1.0	-49.99	402.93	5.99	-44.00
CC(NC(=O)C1=CC=C(NCC2=CC=C(F)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300018325809	0	39	-1.0	-47.32	353.20	7.64	-39.68
CC(NC(=O)C1=CC=C(NCC2=CC=C(F)C(C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300018325810	0	42	-1.0	-48.52	374.93	8.14	-40.38
CC(NC(=O)C1=CC=C(NCC2=CC(Cl)=CC=C2Cl)C=C1)C(=O)[O-]	REAL300018325811	0	39	-1.0	-46.03	361.74	8.01	-38.02
CC(NC(=O)C1=CC=C(NCC2=CC=C(F)C=C2C(F)(F)F)C=C1)C(=O)[O-]	REAL300018325812	0	42	-1.0	-47.52	367.03	8.41	-39.11
CC(NC(=O)C1=CC=C(NCC2=CC(F)=CC(C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300018325813	0	42	-1.0	-47.16	375.75	8.15	-39.01
CC(NC(=O)C1=CC=C(NCC2=CC(F)=CC=C2Br)C=C1)C(=O)[O-]	REAL300018325814	0	39	-1.0	-46.67	355.79	7.62	-39.05
CC(NC(=O)C1=CC=C(NCC2=CC(Cl)=CC=C2F)C=C1)C(=O)[O-]	REAL300018325815	0	39	-1.0	-46.39	352.91	7.63	-38.76
CC(NC(=O)C1=CC=C(NCC2=CC(F)=CC(F)=C2)C=C1)C(=O)[O-]	REAL300018325816	0	39	-1.0	-46.60	343.27	7.25	-39.35
CC(NC(=O)C1=CC=C(NCC2=CC=CC(C3=CC=CC=N3)=C2)C=C1)C(=O)[O-]	REAL300018325817	0	48	-1.0	-50.46	402.28	8.97	-41.49
CC1=NN(C(C)(C)C)C(C)=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325818	0	54	-1.0	-48.86	424.44	7.65	-41.21
CC1=NN(C)C=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325819	0	42	-1.0	-49.42	353.66	5.44	-43.98
CCC(CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300018325820	0	48	-1.0	-46.31	387.75	9.09	-37.22
CC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C(Br)=C1	REAL300018325821	0	42	-1.0	-46.56	370.48	8.25	-38.31
CC(NC(=O)C1=CC=C(NCC=CC2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300018325822	0	43	-1.0	-47.73	368.38	8.43	-39.30
CCN1N=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325823	0	42	-1.0	-47.71	352.26	5.54	-42.17
CC(NC(=O)C1=CC=C(NCC2=NC=CC=C2C(F)(F)F)C=C1)C(=O)[O-]	REAL300018325824	0	41	-1.0	-48.79	357.62	6.23	-42.56
COC1=CC=C2OC(CNC3=CC=C(C(=O)NC(C)C(=O)[O-])C=C3)=CC2=C1	REAL300018325825	0	46	-1.0	-49.67	388.28	6.85	-42.82
CC1=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C2=CC=CC=C2O1	REAL300018325826	0	45	-1.0	-47.89	379.39	8.26	-39.63
CC(NC(=O)C1=CC=C(NCC2=CN(C)C=C2)C=C1)C(=O)[O-]	REAL300018325827	0	40	-1.0	-47.43	337.97	6.74	-40.69
CC(NC(=O)C1=CC=C(NCC2=COC3=CC=CC=C23)C=C1)C(=O)[O-]	REAL300018325828	0	42	-1.0	-48.25	358.36	7.48	-40.77
CC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1Br	REAL300018325829	0	42	-1.0	-46.26	370.11	8.27	-37.99
CC(NC(=O)C1=CC=C(NCC2=CN=C3C=NC=CN23)C=C1)C(=O)[O-]	REAL300018325830	0	41	-1.0	-49.60	352.27	5.75	-43.85
CC1=CN2C(CNC3=CC=C(C(=O)NC(C)C(=O)[O-])C=C3)=CN=C2C=C1	REAL300018325831	0	45	-1.0	-49.91	378.67	8.19	-41.72
CC(NC(=O)C1=CC=C(NCC2=CN=C3C=CSC3=C2)C=C1)C(=O)[O-]	REAL300018325832	0	41	-1.0	-49.02	362.48	6.56	-42.46
CC(NC(=O)C1=CC=C(NCC2=NC3=CC=C(Cl)C=C3N2C)C=C1)C(=O)[O-]	REAL300018325833	0	45	-1.0	-49.49	394.43	7.95	-41.54
CC1=CC(Cl)=CC(C)=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325834	0	45	-1.0	-45.42	381.35	8.62	-36.80
CC(NC(=O)C1=CC=C(NCC2=CC=C(OC(F)F)C(F)=C2)C=C1)C(=O)[O-]	REAL300018325835	0	43	-1.0	-50.05	376.41	6.71	-43.34
CC1=NN2C(=NC(C)=C2CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)S1	REAL300018325836	0	44	-1.0	-52.32	386.16	6.25	-46.07
CC(NC(=O)C1=CC=C(NCC2=NC3=CC(Cl)=CC=C3N2C)C=C1)C(=O)[O-]	REAL300018325837	0	45	-1.0	-50.14	393.84	7.92	-42.22
CC1=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=C(C)O1	REAL300018325838	0	42	-1.0	-46.68	354.36	6.66	-40.02
COC1=CC(Cl)=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1Cl	REAL300018325839	0	43	-1.0	-47.21	390.53	7.35	-39.86
CC(NC(=O)C1=CC=C(NCC2=CC=C(C3=CC=NC=C3)C=C2F)C=C1)C(=O)[O-]	REAL300018325840	0	48	-1.0	-50.02	405.57	8.77	-41.25
CC(NC(=O)C1=CC=C(NCC2CCOC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300018325841	0	47	-1.0	-48.40	378.36	7.53	-40.87
CC(NC(=O)C1=CC=C(NCC2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300018325842	0	48	-1.0	-45.30	366.82	7.83	-37.47
CC(NC(=O)C1=CC=C(NCC2=NC3=C(CC(C)(C)CC3)S2)C=C1)C(=O)[O-]	REAL300018325843	0	51	-1.0	-46.93	414.90	7.73	-39.20
CC(NC(=O)C1=CC=C(NCC2=CN=C(C3CCCO3)S2)C=C1)C(=O)[O-]	REAL300018325844	0	46	-1.0	-48.99	394.49	5.33	-43.66
CC1=CC(Cl)=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325845	0	42	-1.0	-45.66	364.31	8.34	-37.32
CC(NC(=O)C1=CC=C(NCC2=CN=CC(Br)=C2)C=C1)C(=O)[O-]	REAL300018325846	0	38	-1.0	-46.79	346.78	5.90	-40.89
CCN1N=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C2=CC=CC=C21	REAL300018325847	0	48	-1.0	-48.88	402.21	7.88	-41.00
CC(NC(=O)C1=CC=C(NCC2=NC=C(Cl)S2)C=C1)C(=O)[O-]	REAL300018325848	0	35	-1.0	-46.06	332.29	4.86	-41.20
CCSC1=CC=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=C1	REAL300018325849	0	46	-1.0	-47.10	392.29	8.94	-38.16
CC(NC(=O)C1=CC=C(NCCSCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018325850	0	46	-1.0	-47.75	396.64	9.23	-38.52
CCCC1=CC=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=C1	REAL300018325851	0	48	-1.0	-45.46	395.00	9.30	-36.16
CC(NC(=O)C1=CC=C(NCCCC2=CC=C3OCCC3=C2)C=C1)C(=O)[O-]	REAL300018325852	0	50	-1.0	-48.92	409.50	8.48	-40.44
CC1=CCCC(C)C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325853	0	49	-1.0	-44.75	377.44	8.48	-36.27
CC(NC(=O)C1=CC=C(NCC2=CC(F)=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300018325854	0	39	-1.0	-46.09	353.76	7.66	-38.43
COC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=N1	REAL300018325855	0	42	-1.0	-48.34	357.49	3.80	-44.54
CC(NC(=O)C1=CC=C(NCC2=CN(CC3=CC=C(F)C=C3)N=C2)C=C1)C(=O)[O-]	REAL300018325856	0	49	-1.0	-51.61	421.58	8.79	-42.82
CC(NC(=O)C1=CC=C(NCC2CCC=CO2)C=C1)C(=O)[O-]	REAL300018325857	0	41	-1.0	-46.21	337.51	5.49	-40.72
CC(CCNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300018325858	0	48	-1.0	-46.28	387.72	9.01	-37.27
CC(NC(=O)C1=CC=C(NCCCC2=C(F)C=CC=C2Cl)C=C1)C(=O)[O-]	REAL300018325859	0	45	-1.0	-47.17	392.80	9.11	-38.06
CC(NC(=O)C1=CC=C(NCCC2CCCCC2)C=C1)C(=O)[O-]	REAL300018325860	0	48	-1.0	-45.55	373.21	7.99	-37.56
CC1=NC2=CC=C(CNC3=CC=C(C(=O)NC(C)C(=O)[O-])C=C3)C=C2C=C1	REAL300018325861	0	47	-1.0	-49.77	393.15	8.09	-41.68
CC(CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)C1=CC=CC(Cl)=C1	REAL300018325862	0	45	-1.0	-46.62	384.26	8.96	-37.66
CC(CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300018325863	0	45	-1.0	-47.26	373.94	8.51	-38.75
CC(NC(=O)C1=CC=C(NCCC2CCOC2)C=C1)C(=O)[O-]	REAL300018325864	0	43	-1.0	-47.94	347.71	4.85	-43.09
CC(NC(=O)C1=CC=C(NCC2=CC=C(Cl)C=C2F)C=C1)C(=O)[O-]	REAL300018325865	0	39	-1.0	-46.93	352.92	7.64	-39.29
CC(CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300018325866	0	45	-1.0	-46.40	367.71	8.42	-37.98
CC(NC(=O)C1=CC=C(NCC2=CC=C(Br)O2)C=C1)C(=O)[O-]	REAL300018325867	0	36	-1.0	-46.92	333.38	5.92	-41.00
CC1=CC(C(F)(F)F)=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325868	0	45	-1.0	-46.42	386.31	8.83	-37.59
COC1=CC=C2N=C(CNC3=CC=C(C(=O)NC(C)C(=O)[O-])C=C3)SC2=C1	REAL300018325869	0	45	-1.0	-49.19	392.27	5.89	-43.30
CCC1=CC=CC(Cl)=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325870	0	45	-1.0	-46.25	379.19	9.18	-37.07
COC1=CC=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=N1	REAL300018325871	0	42	-1.0	-48.06	357.62	3.76	-44.30
CC(NC(=O)C1=CC=C(NCC2=CN(C(C)(C)C)N=N2)C=C1)C(=O)[O-]	REAL300018325872	0	47	-1.0	-51.16	387.36	5.53	-45.63
CCN(C)C1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=N1	REAL300018325873	0	49	-1.0	-48.44	401.06	7.87	-40.57
COCCN(C)C1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=N1	REAL300018325874	0	53	-1.0	-48.26	432.44	7.06	-41.20
CC(C)N(C)C1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=N1	REAL300018325875	0	52	-1.0	-48.07	417.34	8.36	-39.71
CC(NC(=O)C1=CC=C(NCC2=CC=C(OCC3CC3)C=C2)C=C1)C(=O)[O-]	REAL300018325876	0	50	-1.0	-46.70	413.64	8.89	-37.81
CC(NC(=O)C1=CC=C(NCC2=NC=CN2C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018325877	0	46	-1.0	-48.18	386.45	9.07	-39.11
CC(C)=CCCC(C)CCNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325878	0	54	-1.0	-45.24	422.87	9.56	-35.68
CC(NC(=O)C1=CC=C(NCC2=NNC=C2C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018325879	0	46	-1.0	-49.32	388.43	7.34	-41.98
C#CC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300018325880	0	41	-1.0	-47.93	358.19	8.25	-39.68
CC(NC(=O)C1=CC=C(NCC2=CC=CC(Cl)=C2O)C=C1)C(=O)[O-]	REAL300018325881	0	40	-1.0	-48.18	356.59	4.83	-43.35
CC(NC(=O)C1=CC=C(NCC2=CC(Cl)=CC(F)=C2O)C=C1)C(=O)[O-]	REAL300018325882	0	40	-1.0	-47.61	363.34	4.88	-42.73
CC(NC(=O)C1=CC=C(NCC2=NN(C(F)F)C=C2)C=C1)C(=O)[O-]	REAL300018325883	0	39	-1.0	-48.40	346.84	4.97	-43.43
CC1=CC=C(F)C=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325884	0	42	-1.0	-46.28	354.15	7.88	-38.40
CC(NC(=O)C1=CC=C(NCC2=CC(F)=CC=C2O)C=C1)C(=O)[O-]	REAL300018325885	0	40	-1.0	-48.17	347.28	4.31	-43.86
CC(C)C1CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CCO1	REAL300018325886	0	52	-1.0	-46.07	402.59	7.19	-38.88
CCC1CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CCO1	REAL300018325887	0	49	-1.0	-46.26	385.76	6.64	-39.62
CC1=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=CC=C1Cl	REAL300018325888	0	42	-1.0	-45.78	366.07	8.19	-37.59
CC(NC(=O)C1=CC=C(NCC2=CC=C(OC3=CC=CC=C3)O2)C=C1)C(=O)[O-]	REAL300018325889	0	47	-1.0	-49.07	397.69	8.82	-40.25
CC(NC(=O)C1=CC=C(NCC2=CC=C(SC(F)F)C=C2)C=C1)C(=O)[O-]	REAL300018325890	0	43	-1.0	-48.25	380.75	8.32	-39.93
COC1=CC(C)=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C(C)=N1	REAL300018325891	0	48	-1.0	-47.51	392.68	4.82	-42.69
CC(C)CN1C=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=N1	REAL300018325892	0	48	-1.0	-49.04	396.60	7.25	-41.79
CC(NC(=O)C1=CC=C(NCCCC2CCCCC2)C=C1)C(=O)[O-]	REAL300018325893	0	51	-1.0	-45.11	394.39	8.81	-36.30
CC(NC(=O)C1=CC=C(NCC2=CC=C(SC3=CC=CC=N3)O2)C=C1)C(=O)[O-]	REAL300018325894	0	46	-1.0	-50.64	407.01	8.22	-42.42
CC(NC(=O)C1=CC=C(NCC2CC3=CC=CC=C3C2)C=C1)C(=O)[O-]	REAL300018325895	0	46	-1.0	-46.91	374.77	8.93	-37.98
CC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1Cl	REAL300018325896	0	42	-1.0	-46.24	366.08	8.18	-38.06
COC1=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=CC=C1C	REAL300018325897	0	46	-1.0	-47.09	380.51	7.10	-39.99
CC(O)C1=NC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)S1	REAL300018325898	0	42	-1.0	-47.16	369.38	2.52	-44.64
C=CN1C=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=N1	REAL300018325899	0	40	-1.0	-49.84	345.22	6.09	-43.75
CC(NC(=O)C1=CC=C(NCC2=CC(Cl)=CS2)C=C1)C(=O)[O-]	REAL300018325900	0	36	-1.0	-45.51	337.72	6.69	-38.82
CC(NC(=O)C1=CC=C(NCCC2=CC=C(C(C)(C)C)C=C2)C=C1)C(=O)[O-]	REAL300018325901	0	54	-1.0	-46.33	428.15	10.20	-36.13
CCOC1=C(Cl)C=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325902	0	46	-1.0	-47.54	396.04	8.39	-39.15
CC(NC(=O)C1=CC=C(NCC2=C(Br)C=NN2C)C=C1)C(=O)[O-]	REAL300018325903	0	39	-1.0	-47.43	352.54	5.23	-42.20
CC(NC(=O)C1=CC=C(NCC2=C(Cl)C=CS2)C=C1)C(=O)[O-]	REAL300018325904	0	36	-1.0	-46.18	336.43	6.59	-39.59
CCOC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1F	REAL300018325905	0	46	-1.0	-49.41	388.51	7.36	-42.05
CC(NC(=O)C1=CC=C(NCC2=CN=C(C3=CC=CO3)S2)C=C1)C(=O)[O-]	REAL300018325906	0	42	-1.0	-49.38	378.41	6.19	-43.19
CC(NC(=O)C1=CC=C(NCC2=CC3=CC=CC=C3N2)C=C1)C(=O)[O-]	REAL300018325907	0	43	-1.0	-47.63	362.49	7.01	-40.62
CC(NC(=O)C1=CC=C(NCC2=CC=NN2C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018325908	0	46	-1.0	-48.53	385.15	8.53	-40.00
CC(NC(=O)C1=CC=C(NCC2=NC=C(C(C)(C)C)S2)C=C1)C(=O)[O-]	REAL300018325909	0	47	-1.0	-46.49	396.95	6.87	-39.62
CC1=NN(C)C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=C1Br	REAL300018325910	0	42	-1.0	-47.48	373.65	5.80	-41.68
CC(NC(=O)C1=CC=C(NCC2(C3=CC=CC=C3)CCOC2)C=C1)C(=O)[O-]	REAL300018325911	0	50	-1.0	-47.40	395.10	7.84	-39.56
CSC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)S1	REAL300018325912	0	40	-1.0	-46.09	364.13	7.40	-38.69
CC(NC(=O)C1=CC=C(NCC2=CC=C(OCCCCl)C=C2)C=C1)C(=O)[O-]	REAL300018325913	0	49	-1.0	-48.22	420.94	8.71	-39.51
CC(NC(=O)C1=CC=C(NCC2=CC=C(C3=CN(C)N=C3)C=C2)C=C1)C(=O)[O-]	REAL300018325914	0	49	-1.0	-50.95	411.05	8.37	-42.58
CC(C)C(CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300018325915	0	51	-1.0	-45.91	405.65	9.46	-36.45
CC(NC(=O)C1=CC=C(NCC2=CC=NN2C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300018325916	0	46	-1.0	-48.47	391.53	8.60	-39.87
CC1=CC=CC=C1N1N=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325917	0	49	-1.0	-48.14	405.81	8.92	-39.22
COC1=CC=CC=C1N1N=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325918	0	50	-1.0	-50.80	414.64	7.91	-42.89
CC(NC(=O)C1=CC=C(NCC2CCC(C3=CC=CC=C3)CC2)C=C1)C(=O)[O-]	REAL300018325919	0	55	-1.0	-46.75	430.27	10.89	-35.86
CC(C)CC(C)CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325920	0	47	-1.0	-45.01	367.96	7.48	-37.53
CC(NC(=O)C1=CC=C(NCCC2CCCCCC2)C=C1)C(=O)[O-]	REAL300018325921	0	51	-1.0	-45.47	385.11	8.40	-37.07
CC1=CNN=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325922	0	39	-1.0	-48.90	330.38	4.07	-44.83
CC1=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)NN=C1	REAL300018325922	1	39	-1.0	-47.53	331.59	4.07	-43.46
CC1=NN(C(C)C)C=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325923	0	48	-1.0	-48.75	394.97	6.83	-41.92
CC(NC(=O)C1=CC=C(NCC2=NC=C(Cl)N2C)C=C1)C(=O)[O-]	REAL300018325924	0	39	-1.0	-47.63	346.71	5.79	-41.84
COC1=CC=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=C1F	REAL300018325925	0	43	-1.0	-50.35	365.49	6.41	-43.94
CCC1=CC(OC)=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325926	0	49	-1.0	-46.87	395.99	7.77	-39.10
CSC1(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300018325927	0	40	-1.0	-45.56	345.07	6.63	-38.93
CSC1(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CCC1	REAL300018325928	0	43	-1.0	-45.53	356.16	7.17	-38.36
CC(NC(=O)C1=CC=C(NCC2=CC=C(C3=CN(C)N=C3)S2)C=C1)C(=O)[O-]	REAL300018325929	0	46	-1.0	-49.42	404.40	7.78	-41.64
CC1=NN(C2=CC=CC=N2)C(C)=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325930	0	51	-1.0	-51.26	423.77	8.88	-42.38
CC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C(C2=CC=NN2C)=C1	REAL300018325931	0	52	-1.0	-49.88	427.48	8.67	-41.21
CC(CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018325932	0	48	-1.0	-47.79	406.45	9.43	-38.36
COC1=CC=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=C1OC	REAL300018325933	0	47	-1.0	-49.25	387.37	6.76	-42.49
CC(NC(=O)C1=CC=C(NCC2=CNN=C2C2=CC=CN=C2)C=C1)C(=O)[O-]	REAL300018325934	0	45	-1.0	-52.71	379.17	5.77	-46.94
CC(NC(=O)C1=CC=C(NCC2=NC=CN2C)C=C1)C(=O)[O-]	REAL300018325935	0	39	-1.0	-49.42	330.10	5.44	-43.98
CC1=NNC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325936	0	39	-1.0	-48.82	331.78	4.13	-44.69
CC1=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=NN1	REAL300018325936	1	39	-1.0	-48.37	330.59	4.07	-44.30
CC1=NN(C)C2=NC=C(CNC3=CC=C(C(=O)NC(C)C(=O)[O-])C=C3)C=C12	REAL300018325937	0	47	-1.0	-52.28	397.20	6.79	-45.49
CCN1C=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=N1	REAL300018325938	0	42	-1.0	-49.42	355.27	5.72	-43.70
CC(NC(=O)C1=CC=C(NCC2=CC=C3C(=C2)N=CN3C)C=C1)C(=O)[O-]	REAL300018325939	0	45	-1.0	-52.47	379.00	8.43	-44.04
CC(NC(=O)C1=CC=C(NCC2=CN=C(N(C)C)N=C2)C=C1)C(=O)[O-]	REAL300018325940	0	45	-1.0	-49.38	376.75	7.61	-41.77
CC1=CC=C(O)C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=N1	REAL300018325941	0	42	-1.0	-49.09	356.75	3.10	-45.99
CC1=CN=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325942	0	41	-1.0	-46.98	343.06	6.01	-40.97
CC(NC(=O)C1=CC=C(NCC2=CC=C3C(=C2)N=NN3C)C=C1)C(=O)[O-]	REAL300018325943	0	44	-1.0	-52.82	374.60	5.54	-47.28
CC(C)N1C=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=N1	REAL300018325944	0	45	-1.0	-49.19	373.96	6.24	-42.95
CC1=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)OC=C1	REAL300018325945	0	39	-1.0	-46.66	331.91	5.84	-40.82
CC(C)N1N=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325946	0	45	-1.0	-47.30	373.70	6.21	-41.09
COC1=NC=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=N1	REAL300018325947	0	41	-1.0	-51.10	352.57	1.70	-49.40
CC(NC(=O)C1=CC=C(NCC2=CN=NN2C)C=C1)C(=O)[O-]	REAL300018325948	0	38	-1.0	-51.01	325.18	3.46	-47.55
CC(NC(=O)C1=CC=C(NCC2=CN=C(C3CC3)N=C2)C=C1)C(=O)[O-]	REAL300018325949	0	44	-1.0	-48.87	372.92	6.71	-42.16
COCCN1C=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=N1	REAL300018325950	0	46	-1.0	-49.12	388.63	4.79	-44.33
CCC1CCCCC1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325951	0	51	-1.0	-45.15	388.01	8.53	-36.62
COCC(C)OC1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300018325952	0	53	-1.0	-48.94	432.50	7.26	-41.68
CC(NC(=O)C1=CC=C(NCC2CCSC2)C=C1)C(=O)[O-]	REAL300018325953	0	40	-1.0	-47.16	336.02	6.47	-40.69
CC(NC(=O)C1=CC=C(NCC2=CC=NN2CCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018325954	0	52	-1.0	-47.91	433.50	9.35	-38.56
CC(NC(=O)C1=CC=C(NCC2=CC=C(OC3CCOC3)C=C2)C=C1)C(=O)[O-]	REAL300018325955	0	51	-1.0	-48.84	416.27	6.70	-42.14
CC(NC(=O)C1=CC=C(NCC2=CN=C(C3=CC=CC=C3F)S2)C=C1)C(=O)[O-]	REAL300018325956	0	45	-1.0	-50.91	400.15	8.34	-42.57
CC(NC(=O)C1=CC=C(NCC2=CSC(C3=CN(C)N=C3)=N2)C=C1)C(=O)[O-]	REAL300018325957	0	45	-1.0	-52.27	400.44	5.63	-46.64
CC(NC(=O)C1=CC=C(NCC2=CC=CC(C3CC3)=C2)C=C1)C(=O)[O-]	REAL300018325958	0	46	-1.0	-45.68	379.83	9.18	-36.50
CC1=CC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=NC=C1Br	REAL300018325959	0	41	-1.0	-46.79	365.42	6.43	-40.36
CC(NC(=O)C1=CC=C(NCC2=NC(C(C)(C)C)=CS2)C=C1)C(=O)[O-]	REAL300018325960	0	47	-1.0	-46.90	396.03	6.82	-40.08
CC(NC(=O)C1=CC=C(NCC2=NC=C(Br)C=C2F)C=C1)C(=O)[O-]	REAL300018325961	0	38	-1.0	-46.07	352.27	5.86	-40.21
CC(NC(=O)C1=CC=C(NCC2=CN=C(C3CCCC3)S2)C=C1)C(=O)[O-]	REAL300018325962	0	48	-1.0	-46.69	402.53	7.71	-38.98
CC(NC(=O)C1=CC=C(NCC2=CN=C(C3CCCCC3)S2)C=C1)C(=O)[O-]	REAL300018325963	0	51	-1.0	-46.20	421.21	8.29	-37.91
CC(NC(=O)C1=CC=C(NCC2=CN=C(C3CC3)S2)C=C1)C(=O)[O-]	REAL300018325964	0	42	-1.0	-47.06	368.53	6.71	-40.35
CC(C)CC1=NC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)S1	REAL300018325965	0	47	-1.0	-46.38	398.29	7.28	-39.10
CC(C)C1=NC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)S1	REAL300018325966	0	44	-1.0	-46.44	379.42	6.42	-40.02
CC(NC(=O)C1=CC=C(NCC2=CN=C(C3=CC=CS3)S2)C=C1)C(=O)[O-]	REAL300018325967	0	42	-1.0	-47.95	387.51	7.18	-40.77
CC(NC(=O)C1=CC=C(NCC2=CN=C(C3=CSC=C3)S2)C=C1)C(=O)[O-]	REAL300018325968	0	42	-1.0	-47.64	386.78	7.05	-40.59
CC1=CC=C(C2=NC=C(CNC3=CC=C(C(=O)NC(C)C(=O)[O-])C=C3)S2)O1	REAL300018325969	0	45	-1.0	-49.22	400.32	7.01	-42.21
CC1=CC(Br)=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325970	0	42	-1.0	-45.61	368.87	8.45	-37.16
COCCC1=NC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)S1	REAL300018325971	0	45	-1.0	-47.28	392.31	4.89	-42.39
CC(NC(=O)C1=CC=C(NCC2=CN(CC(F)(F)F)N=C2)C=C1)C(=O)[O-]	REAL300018325972	0	42	-1.0	-52.30	373.15	6.22	-46.08
CC(NC(=O)C1=CC=C(NCC2=CNN=C2C2=CC=CC=C2F)C=C1)C(=O)[O-]	REAL300018325973	0	46	-1.0	-52.19	393.43	7.04	-45.15
COCCOC1=CC=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325974	0	50	-1.0	-49.16	414.85	6.59	-42.57
CC1=C(Br)C=NC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325975	0	41	-1.0	-46.80	361.39	6.52	-40.28
C#CCOC1=CC=CC(Cl)=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325976	0	45	-1.0	-49.63	400.30	8.35	-41.28
CC(NC(=O)C1=CC=C(NCC2=NC3=C(CCC3)S2)C=C1)C(=O)[O-]	REAL300018325977	0	42	-1.0	-48.02	361.24	6.24	-41.78
CC(NC(=O)C1=CC=C(NCC2=CN(C)N=C2C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300018325978	0	49	-1.0	-50.52	413.55	8.96	-41.56
CC1=NN(C2=CC=CC=C2F)C=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325979	0	49	-1.0	-53.80	415.47	8.98	-44.82
CC(NC(=O)C1=CC=C(NCC2=CN(C)N=C2C2=CC=CS2)C=C1)C(=O)[O-]	REAL300018325980	0	46	-1.0	-50.74	401.10	7.76	-42.98
CC1=NN(C2=CC=C(C)C=C2)C=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325981	0	52	-1.0	-50.12	432.17	9.53	-40.59
CC(NC(=O)C1=CC=C(NCC2=CN(C)N=C2C(C)(C)C)C=C1)C(=O)[O-]	REAL300018325982	0	51	-1.0	-48.83	403.73	7.64	-41.19
CC1=CC=C(C2=NN(C)C=C2CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)O1	REAL300018325983	0	49	-1.0	-51.72	417.58	7.36	-44.36
CC(NC(=O)C1=CC=C(NCC2=CC(F)=CC=C2N(C)C)C=C1)C(=O)[O-]	REAL300018325984	0	47	-1.0	-46.24	390.52	6.98	-39.26
CC(NC(=O)C1=CC=C(NCC2=CN=C(C3=CC=CN=C3)S2)C=C1)C(=O)[O-]	REAL300018325985	0	44	-1.0	-48.72	390.47	6.35	-42.37
CC(NC(=O)C1=CC=C(NCC(C)(C)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018325986	0	48	-1.0	-46.22	380.30	8.85	-37.37
CC(CCC1=CC=CC=C1)CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325987	0	51	-1.0	-46.67	410.54	10.02	-36.65
CC1=CC=C(CCCNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=N1	REAL300018325988	0	47	-1.0	-49.34	390.37	7.43	-41.91
COC1=CC=C(CC(C)CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=C1F	REAL300018325989	0	52	-1.0	-50.57	424.45	8.51	-42.06
CC(CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)CC1CCCCC1	REAL300018325990	0	54	-1.0	-44.89	409.59	9.38	-35.51
CC1=C(C)C=C2OC(CNC3=CC=C(C(=O)NC(C)C(=O)[O-])C=C3)=CC2=C1	REAL300018325991	0	48	-1.0	-48.70	396.79	8.80	-39.90
CCC1=NN(C)C(CC)=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325992	0	51	-1.0	-48.33	415.32	7.33	-41.00
CC(NC(=O)C1=CC=C(NCC2=CN=C(C3CCC3)S2)C=C1)C(=O)[O-]	REAL300018325993	0	45	-1.0	-46.71	385.17	7.19	-39.52
CCC1=C2OC(CNC3=CC=C(C(=O)NC(C)C(=O)[O-])C=C3)=CC2=CC=C1	REAL300018325994	0	48	-1.0	-48.61	401.39	9.03	-39.58
CCCC1CCC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300018325995	0	54	-1.0	-45.49	406.56	9.17	-36.32
CC(C)C1CCC(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300018325996	0	54	-1.0	-45.49	401.89	8.88	-36.61
COCC(C)(C)CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325997	0	45	-1.0	-45.61	359.52	5.49	-40.12
COCC1=C(C)C=C(C)C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)=C1C	REAL300018325998	0	55	-1.0	-46.83	432.98	8.27	-38.56
CC(C)CN1N=CC=C1CNC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300018325999	0	48	-1.0	-46.98	393.97	7.06	-39.92
CC(NC(=O)C1=CC=C(NCC2=CN(CC3CCCO3)N=N2)C=C1)C(=O)[O-]	REAL300018326000	0	49	-1.0	-53.96	405.94	4.64	-49.32
O=C([O-])COC1=CC=C(NCC2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1	REAL300018329494	0	35	-1.0	-51.73	323.08	9.12	-42.61
CC1(C)CC(NC2=CC=C(OCC(=O)[O-])C=C2)CC(C)(C)C1	REAL300018329495	0	48	-1.0	-46.71	356.76	9.42	-37.29
O=C([O-])COC1=CC=C(NC2CCC3=CC(Br)=CC=C3C2)C=C1	REAL300018329496	0	40	-1.0	-48.19	344.83	10.27	-37.92
CC(CCC1=CNC2=CC=CC=C12)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300018329497	0	46	-1.0	-51.19	377.76	10.36	-40.83
COC1=CC=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C(Cl)=C1OC	REAL300018329498	0	41	-1.0	-51.57	360.99	7.68	-43.89
O=C([O-])COC1=CC=C(NCC2=CC=C(C3=CC=CS3)C=C2)C=C1	REAL300018329499	0	40	-1.0	-48.67	352.00	10.55	-38.12
O=C([O-])COC1=CC=C(NCC2=CC3=CC=CC=C3S2)C=C1	REAL300018329500	0	36	-1.0	-48.94	322.02	9.46	-39.48
CC(C)OC1=CC=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018329501	0	43	-1.0	-48.45	353.92	8.78	-39.67
CCCCCCCOC1=CC=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018329502	0	55	-1.0	-48.14	443.48	12.08	-36.06
CC(CNC1=CC=C(OCC(=O)[O-])C=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018329503	0	54	-1.0	-47.67	418.68	12.33	-35.34
O=C([O-])COC1=CC=C(NCC2=CSC([N+](=O)[O-])=C2)C=C1	REAL300018329504	0	32	-1.0	-52.25	304.68	7.72	-44.53
O=C([O-])COC1=CC=C(NCC2=CC=CC=C2N2CCOCC2)C=C1	REAL300018329505	0	46	-1.0	-48.68	371.27	7.34	-41.34
CC(C)CC1=CC=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018329506	0	45	-1.0	-47.10	365.83	10.61	-36.49
CC1=CC=C(C2=CC=CC(CNC3=CC=C(OCC(=O)[O-])C=C3)=C2)C=C1	REAL300018329507	0	46	-1.0	-49.07	380.25	12.01	-37.06
COC1=CC=C(Br)C(CNC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018329508	0	37	-1.0	-49.08	332.35	7.80	-41.28
COC1=CC=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300018329509	0	39	-1.0	-55.81	340.16	8.66	-47.15
O=C([O-])COC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2)C=C1	REAL300018329510	0	33	-1.0	-47.26	318.09	8.94	-38.32
CC1=CC=CC=C1C1=CC=CC(CNC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018329511	0	46	-1.0	-48.82	380.69	12.01	-36.81
O=C([O-])COC1=CC=C(NCC2=CC=CC(OC(F)F)=C2)C=C1	REAL300018329512	0	37	-1.0	-50.39	323.89	7.51	-42.88
O=C([O-])COC1=CC=C(NCC2=CNN=C2C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018329513	0	43	-1.0	-52.05	376.94	9.43	-42.62
CCOC1=CC=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C=C1OCC	REAL300018329514	0	47	-1.0	-50.53	387.09	8.97	-41.56
O=C([O-])COC1=CC=C(NCC2=CC=C(Cl)C(C(F)(F)F)=C2)C=C1	REAL300018329515	0	36	-1.0	-49.31	336.53	9.34	-39.97
O=C([O-])COC1=CC=C(NCC2=CC=C(F)C=C2Br)C=C1	REAL300018329516	0	33	-1.0	-48.23	309.27	8.57	-39.66
O=C([O-])COC1=CC=C(NCC2=CC=C3OC(F)(F)OC3=C2)C=C1	REAL300018329517	0	36	-1.0	-50.31	324.24	7.03	-43.28
O=C([O-])COC1=CC=C(NCC2=CC=NC3=CC=CC=C23)C=C1	REAL300018329518	0	38	-1.0	-50.16	322.79	8.16	-42.00
O=C([O-])COC1=CC=C(NCC2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300018329519	0	37	-1.0	-48.17	330.63	7.72	-40.45
CS(=O)(=O)C1=CC=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018329520	0	39	-1.0	-56.02	345.32	5.45	-50.57
COC1=CC=CC=C1C1=CC=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018329521	0	47	-1.0	-50.15	392.85	10.99	-39.16
CC(CCOCC1=CC=CC=C1)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300018329522	0	46	-1.0	-49.16	379.93	9.59	-39.57
O=C([O-])COC1=CC=C(NC2CC(C3=CC=C(Cl)C=C3)C2)C=C1	REAL300018329523	0	40	-1.0	-48.53	344.54	10.34	-38.19
O=C([O-])COC1=CC=C(NCC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C=C1	REAL300018329524	0	43	-1.0	-48.60	375.57	11.86	-36.74
O=C([O-])COC1=CC=C(NCC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C=C1	REAL300018329525	0	43	-1.0	-48.87	375.57	11.85	-37.02
O=C([O-])COC1=CC=C(NCC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)C=C1	REAL300018329526	0	43	-1.0	-51.96	383.92	10.84	-41.12
COC1=CC=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300018329527	0	43	-1.0	-49.69	355.82	9.39	-40.30
CN1C2=CC=CC=C2N=C1CNC1=CC=C(OCC(=O)[O-])C=C1	REAL300018329528	0	39	-1.0	-52.76	331.05	8.26	-44.50
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CC1=C(CNC2=CC=C(OCC(=O)[O-])C=C2)SC2=CC(F)=CC=C12	REAL300018329985	0	39	-1.0	-48.59	346.06	10.03	-38.56
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COC1=CC=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C=C1OCCO	REAL300018329989	0	45	-1.0	-53.68	376.61	4.96	-48.72
CN1C=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C(C2=CC=NN2C)=N1	REAL300018329990	0	43	-1.0	-54.88	370.19	6.83	-48.05
CC(C)(C)C1=NOC=C1CNC1=CC=C(OCC(=O)[O-])C=C1	REAL300018329991	0	41	-1.0	-49.38	331.17	8.10	-41.28
O=C([O-])COC1=CC=C(NCC2=CC3=CN=CC=C3C=C2)C=C1	REAL300018329992	0	38	-1.0	-50.25	325.63	8.41	-41.84
COC1=CC(CNC2=CC=C(OCC(=O)[O-])C=C2)=CC=C1OCC1CCCO1	REAL300018329993	0	52	-1.0	-53.62	422.31	8.55	-45.07
CC1=CC2=CC=CC(CNC3=CC=C(OCC(=O)[O-])C=C3)=C2O1	REAL300018329994	0	39	-1.0	-50.90	333.87	9.08	-41.82
O=C([O-])COC1=CC=C(NCC2=CC=CC(F)=C2C(F)(F)F)C=C1	REAL300018329995	0	36	-1.0	-51.94	320.14	9.39	-42.55
O=C([O-])COC1=CC=C(NCC2=C(F)C=CC=C2OCC(F)(F)F)C=C1	REAL300018329996	0	40	-1.0	-53.98	359.54	8.70	-45.28
O=C([O-])COC1=CC=C(NCC2=CON=C2C2CCC2)C=C1	REAL300018329997	0	39	-1.0	-49.43	329.33	8.01	-41.42
O=C([O-])COC1=CC=C(NCC2=CC=C(C(F)(F)F)C=C2F)C=C1	REAL300018329998	0	36	-1.0	-48.98	328.93	8.96	-40.02
CC(C)OC1=CC=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300018329999	0	43	-1.0	-50.54	360.15	8.85	-41.69
CC1=NN(C2CCCC2)C(CNC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018330000	0	46	-1.0	-48.74	372.72	8.99	-39.75
CC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1F	REAL300018336323	0	41	-1.0	-48.18	341.05	10.44	-37.74
CC(CC1=CC=C(NCC2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300018336325	0	40	-1.0	-50.75	351.99	10.89	-39.86
CC(CC1=CC=C(NC2CC(C)(C)CC(C)(C)C2)C=C1)C(=O)[O-]	REAL300018336326	0	53	-1.0	-46.02	385.74	11.20	-34.82
CC(CC1=CC=C(NC2CCC3=CC(Br)=CC=C3C2)C=C1)C(=O)[O-]	REAL300018336327	0	45	-1.0	-47.72	374.55	12.05	-35.67
CC(CCC1=CNC2=CC=CC=C12)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336328	0	51	-1.0	-50.25	406.82	12.14	-38.11
COC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C(Cl)=C1OC	REAL300018336329	0	46	-1.0	-51.02	390.73	9.49	-41.53
CC(CC1=CC=C(NCC2=CC=C(C3=CC=CS3)C=C2)C=C1)C(=O)[O-]	REAL300018336330	0	45	-1.0	-47.82	380.88	12.33	-35.49
CC(CC1=CC=C(NCC2=CC3=CC=CC=C3S2)C=C1)C(=O)[O-]	REAL300018336331	0	41	-1.0	-48.21	350.91	11.24	-36.97
CC(C)OC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336332	0	48	-1.0	-47.55	382.79	10.58	-36.97
CCCCCCCOC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336333	0	60	-1.0	-47.14	472.36	13.88	-33.26
CC(CNC1=CC=C(CC(C)C(=O)[O-])C=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018336334	0	59	-1.0	-47.20	448.36	14.14	-33.06
CC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1F	REAL300018336335	0	41	-1.0	-47.58	341.04	10.43	-37.15
CC(CC1=CC=C(NCC2=C3NC=CC3=CC=C2)C=C1)C(=O)[O-]	REAL300018336336	0	42	-1.0	-48.73	345.69	9.74	-38.99
CC(CC1=CC=C(NCC2=CSC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300018336337	0	37	-1.0	-51.78	334.32	9.53	-42.25
CC(CC1=CC=C(NCC2=CC=CC=C2N2CCOCC2)C=C1)C(=O)[O-]	REAL300018336338	0	51	-1.0	-47.72	400.15	9.11	-38.61
CC(C)CC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336339	0	50	-1.0	-46.25	394.65	12.39	-33.86
CC1=CC=C(C2=CC=CC(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)=C2)C=C1	REAL300018336340	0	51	-1.0	-48.77	409.94	13.82	-34.95
COC1=CC=C(Br)C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336341	0	42	-1.0	-48.75	362.07	9.59	-39.16
COC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300018336342	0	44	-1.0	-55.31	369.04	10.44	-44.87
CC(CC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300018336343	0	38	-1.0	-46.34	346.92	10.72	-35.62
CC1=CC=CC=C1C1=CC=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336344	0	51	-1.0	-48.26	410.38	13.82	-34.44
CC(CC1=CC=C(NCC2=CC=CC(OC(F)F)=C2)C=C1)C(=O)[O-]	REAL300018336345	0	42	-1.0	-49.97	353.59	9.32	-40.65
CCOC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1OCC	REAL300018336346	0	52	-1.0	-49.81	415.97	10.75	-39.06
CC(C)C1CCC(NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300018336347	0	50	-1.0	-46.28	371.02	11.05	-35.23
CC(CC1=CC=C(NCC2=CC=C(Cl)C(C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300018336348	0	41	-1.0	-48.49	365.40	11.12	-37.37
CC(CC1=CC=C(NCC2=CC=C(F)C=C2Br)C=C1)C(=O)[O-]	REAL300018336349	0	38	-1.0	-47.77	339.22	10.30	-37.47
CC(CC1=CC=C(NCC2=CC=C3OC(F)(F)OC3=C2)C=C1)C(=O)[O-]	REAL300018336350	0	41	-1.0	-50.08	353.93	8.84	-41.24
CC(CC1=CC=C(NCC2=CC=NC3=CC=CC=C23)C=C1)C(=O)[O-]	REAL300018336351	0	43	-1.0	-49.43	351.68	9.94	-39.49
CC(CC1=CC=C(NCC2=CC=CC(OC(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300018336352	0	42	-1.0	-47.67	360.32	9.53	-38.14
CC(CC1=CC=C(NCC2=CC=C(S(C)(=O)=O)C=C2)C=C1)C(=O)[O-]	REAL300018336353	0	44	-1.0	-55.77	374.99	7.26	-48.51
COC1=CC=CC=C1C1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336354	0	52	-1.0	-49.78	422.53	12.80	-36.98
CC(CCOCC1=CC=CC=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336355	0	51	-1.0	-48.15	408.81	11.38	-36.77
CC(CC1=CC=C(NC2CC(C3=CC=C(Cl)C=C3)C2)C=C1)C(=O)[O-]	REAL300018336356	0	45	-1.0	-47.99	374.35	12.14	-35.85
CC(CC1=CC=C(NCC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C=C1)C(=O)[O-]	REAL300018336357	0	48	-1.0	-48.19	405.26	13.67	-34.52
CC(CC1=CC=C(NCC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C=C1)C(=O)[O-]	REAL300018336358	0	48	-1.0	-48.48	405.27	13.66	-34.82
COC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300018336359	0	48	-1.0	-48.82	384.73	11.17	-37.65
CCC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300018336360	0	41	-1.0	-46.52	347.13	10.38	-36.14
CC(CC1=CC=C(NCC2=NC3=CC=CC=C3N2C)C=C1)C(=O)[O-]	REAL300018336361	0	44	-1.0	-52.47	360.74	10.06	-42.41
CC(CC1=CC=C(NCC2=CC=C3OCCC3=C2)C=C1)C(=O)[O-]	REAL300018336362	0	43	-1.0	-48.63	349.41	9.55	-39.08
CC(CC1=CC=C(NCC2=CSC(Br)=C2)C=C1)C(=O)[O-]	REAL300018336363	0	35	-1.0	-46.51	325.16	9.38	-37.13
CC(CC1=CC=C(NCC2=CC=CC=C2OCC2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300018336364	0	51	-1.0	-51.45	418.63	11.27	-40.18
CC(CC1=CC=C(NCC2=CC=CC=C2OCC2=CC=CN=C2)C=C1)C(=O)[O-]	REAL300018336365	0	51	-1.0	-51.00	418.58	11.24	-39.76
CC(CC1=CC=C(NCC2=CC=C(N3CCCC3)N=C2)C=C1)C(=O)[O-]	REAL300018336366	0	49	-1.0	-49.33	388.25	9.64	-39.69
CC(CC1=CC=C(NCC2=CC=CC(NS(C)(=O)=O)=C2)C=C1)C(=O)[O-]	REAL300018336367	0	46	-1.0	-53.93	387.09	6.42	-47.51
CC(CC1=CC=C(NCC2=C3C=CNC3=CC=C2)C=C1)C(=O)[O-]	REAL300018336368	0	42	-1.0	-49.83	345.51	9.75	-40.08
CC(CC1=CC=C(NCC2=CC=C3C=CNC3=C2)C=C1)C(=O)[O-]	REAL300018336369	0	42	-1.0	-49.47	344.87	9.73	-39.74
CC(CC1=CC=CS1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336370	0	41	-1.0	-48.08	344.71	10.36	-37.72
CC(CC1=CC=C(NCC2=CC=CC3=C2OC(F)(F)O3)C=C1)C(=O)[O-]	REAL300018336371	0	41	-1.0	-51.37	353.95	8.82	-42.55
CC1=CC(F)=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336372	0	41	-1.0	-46.98	337.07	10.49	-36.49
CC(CC1=CC=C(NCC2=CC=C3OC(C)(C)CCC3=C2)C=C1)C(=O)[O-]	REAL300018336373	0	52	-1.0	-48.16	404.15	11.53	-36.63
CC(CC(C)(C)C1=CC=CC=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336374	0	53	-1.0	-47.60	396.27	13.21	-34.39
CC(CC1=CC=C(NCC2=CC=CC=C2N(C)C)C=C1)C(=O)[O-]	REAL300018336375	0	46	-1.0	-46.93	366.99	9.54	-37.39
CC(CC1=CC=C(NCC2=CC=CC(C3=CC=CN=C3)=C2)C=C1)C(=O)[O-]	REAL300018336376	0	47	-1.0	-50.50	382.73	11.35	-39.15
CC(CC1=CC=C(NCC2=CC=CC(C3=CC=NC=C3)=C2)C=C1)C(=O)[O-]	REAL300018336377	0	47	-1.0	-50.21	383.75	11.39	-38.82
CC(CC1=CC=C(NCC2=CC=C(N3CCN(C)CC3)C=C2)C=C1)C(=O)[O-]	REAL300018336378	1	55	-1.0	-47.82	423.52	8.44	-39.38
CC1=NN(C)C(N2CCOCC2)=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336379	0	54	-1.0	-49.24	416.72	7.58	-41.66
CC(CC1=CC=C(NCC2=CC=C(OC3=CN=CC=N3)C=C2)C=C1)C(=O)[O-]	REAL300018336380	0	47	-1.0	-50.94	395.64	8.23	-42.71
CC(CC1=CC=C(NC2CCN(C3=CN=CC=N3)CC2)C=C1)C(=O)[O-]	REAL300018336381	0	48	-1.0	-49.77	375.28	7.73	-42.04
CC(CC1=CC=C(NC2CCN(CC3=CC=C(Cl)C=C3)CC2)C=C1)C(=O)[O-]	REAL300018336382	1	53	-1.0	-47.48	424.31	10.99	-36.49
CC(CC1=CC=C(NC2CCN(CC3=CC=CC=C3Cl)CC2)C=C1)C(=O)[O-]	REAL300018336383	1	53	-1.0	-47.50	422.88	10.92	-36.58
CC(CC1=CC=C(NC2CCN(CC3=CC=CC=N3)CC2)C=C1)C(=O)[O-]	REAL300018336384	1	52	-1.0	-50.13	402.82	8.85	-41.28
CC(CC1=CC=C(NCC2=CN(C3=CC=C(F)C=C3)N=C2)C=C1)C(=O)[O-]	REAL300018336385	0	45	-1.0	-50.29	378.75	10.98	-39.31
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336386	0	51	-1.0	-49.89	428.41	12.35	-37.54
CC(CC1=CC=C(NCC2=CN(C3=CC=C(Cl)C=C3)N=C2)C=C1)C(=O)[O-]	REAL300018336387	0	45	-1.0	-50.37	389.89	11.46	-38.91
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336388	0	51	-1.0	-52.15	424.46	12.05	-40.10
CC(CC1=CC=C(NCC2=CN(C(C)(C)C)N=C2)C=C1)C(=O)[O-]	REAL300018336389	0	47	-1.0	-49.72	377.09	9.54	-40.18
CC(CC1=CC=C(NCC2=CC=C(OCC(F)(F)F)C=C2)C=C1)C(=O)[O-]	REAL300018336391	0	45	-1.0	-49.22	384.44	10.40	-38.82
CC(CC1=CC=C(NCC2=CC(Cl)=CC=C2OC(F)F)C=C1)C(=O)[O-]	REAL300018336393	0	42	-1.0	-48.87	369.27	9.86	-39.01
CC(CC1=CC=C(NCC2=CC=C(C3=CC=CC(Cl)=C3)S2)C=C1)C(=O)[O-]	REAL300018336394	0	45	-1.0	-48.77	398.09	12.98	-35.79
CC(CC1=CC=C(NCC2=CNN=C2C2=CC=C3OCOC3=C2)C=C1)C(=O)[O-]	REAL300018336395	0	48	-1.0	-53.52	393.15	8.87	-44.65
COC1=CC=CC(C2=NNC=C2CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336396	0	49	-1.0	-52.90	397.42	9.53	-43.37
COC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1OCC(F)(F)F	REAL300018336397	0	49	-1.0	-51.61	413.69	10.29	-41.32
CC(CC1=CC=C(NCC2=CN=C(N3CCCC3)N=C2)C=C1)C(=O)[O-]	REAL300018336398	0	48	-1.0	-50.34	382.58	9.61	-40.73
CC(CC1=CC=C(NCC2=CC=C(OCC3=CC=NC=C3)C=C2)C=C1)C(=O)[O-]	REAL300018336399	0	51	-1.0	-50.28	419.66	11.23	-39.05
CC(CC1=CC=C(NCC2=CC=CC(OCC3=CC=CC=N3)=C2)C=C1)C(=O)[O-]	REAL300018336400	0	51	-1.0	-50.53	418.36	11.32	-39.21
CC(C)C1=NN(C)C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336402	0	47	-1.0	-49.71	378.75	9.34	-40.37
COCCOC1=CC=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336403	0	49	-1.0	-50.74	399.31	9.23	-41.51
COC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1Cl	REAL300018336404	0	42	-1.0	-48.89	359.04	9.56	-39.33
CC(CC1=CC=C(NCC2=CC3=CC(Cl)=CC(Cl)=C3OC2)C=C1)C(=O)[O-]	REAL300018336405	0	44	-1.0	-48.21	392.45	11.26	-36.95
CC(CC1=CC=C(NCC2=CSC(C3=CC=CC=N3)=N2)C=C1)C(=O)[O-]	REAL300018336406	0	43	-1.0	-54.48	373.78	8.62	-45.86
CC(CC1=CC=C(NCC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C=C1)C(=O)[O-]	REAL300018336407	0	46	-1.0	-52.97	379.71	9.52	-43.45
CC(C)N1C2=CC=CC=C2N=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336408	0	50	-1.0	-51.42	394.90	11.25	-40.17
COC1=NC=C(Br)C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336409	0	41	-1.0	-47.69	360.91	7.06	-40.63
COC1=NC=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336410	0	41	-1.0	-49.48	339.55	6.45	-43.03
CC(CC1=CC=C(NCC2=CC=C(Br)C=N2)C=C1)C(=O)[O-]	REAL300018336411	0	37	-1.0	-48.06	330.56	8.50	-39.56
CC(CC1=CC=C(NCC2=CN=C(N3CCOCC3)S2)C=C1)C(=O)[O-]	REAL300018336412	0	47	-1.0	-49.02	387.23	7.03	-41.99
CC(CC1=CC=C(NCC2=CC=CC3=NC=CC=C23)C=C1)C(=O)[O-]	REAL300018336413	0	43	-1.0	-49.92	352.28	9.96	-39.96
CC(CC1=CC=C(NCC2=CC=CC(OCC(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300018336414	0	45	-1.0	-50.03	384.43	10.40	-39.63
CC(CC1=CC=C(NCC2=CC=CC3=C2OCCO3)C=C1)C(=O)[O-]	REAL300018336415	0	44	-1.0	-49.66	356.86	8.89	-40.77
CC(CC1=CC=C(NCC2=CC=CC3=C2OCCCO3)C=C1)C(=O)[O-]	REAL300018336416	0	47	-1.0	-50.28	376.15	9.70	-40.58
CC(CC1=CC=C(NC2CC(C3=CC=CC(Cl)=C3)C2)C=C1)C(=O)[O-]	REAL300018336417	0	45	-1.0	-48.57	374.23	12.13	-36.44
CC(CC1=CC=C(NC2CC(C3=CC=CC(Br)=C3)C2)C=C1)C(=O)[O-]	REAL300018336418	0	45	-1.0	-48.50	378.81	12.23	-36.27
CC(CC1=CC=C(NC2CC(C3=CC=CC=C3Cl)C2)C=C1)C(=O)[O-]	REAL300018336419	0	45	-1.0	-48.58	371.16	12.05	-36.53
CC(CC1=CC=C(NCC2=CN=C(C3=CC=CC=C3)N=C2)C=C1)C(=O)[O-]	REAL300018336420	0	46	-1.0	-50.81	382.67	11.00	-39.81
CC(CC1=CC=C(NCC2=CN=C(N3CCOCC3)N=C2)C=C1)C(=O)[O-]	REAL300018336421	0	49	-1.0	-50.63	391.67	8.10	-42.53
CCCN1C2=CC=CC=C2N=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336422	0	50	-1.0	-51.49	403.23	11.70	-39.79
CCCOC1=CC=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336423	0	48	-1.0	-47.91	386.37	10.73	-37.18
C#CCCOC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336424	0	47	-1.0	-48.18	392.15	11.28	-36.90
CC(CC1=CC=C(NCC2=CC(C3=CC=CC=C3)=CS2)C=C1)C(=O)[O-]	REAL300018336425	0	45	-1.0	-47.76	379.59	12.28	-35.48
CC(CC1=CC=C(NCC2=CC=C(F)C(C3=CC=CS3)=C2)C=C1)C(=O)[O-]	REAL300018336426	0	45	-1.0	-49.01	390.98	12.51	-36.50
CC1=C2C=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)C=NC2=NN1	REAL300018336427	0	43	-1.0	-57.00	356.58	8.23	-48.77
CC(CC1=CC=C(NCC2=CC=CC(OC3CCCC3)=C2)C=C1)C(=O)[O-]	REAL300018336428	0	52	-1.0	-47.92	408.23	11.93	-35.99
CCC1=NC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300018336429	0	40	-1.0	-47.73	341.73	8.42	-39.31
CC(CC1=CC=C(NCC2=CC=CC=C2N2C=NC=N2)C=C1)C(=O)[O-]	REAL300018336430	0	44	-1.0	-52.64	359.88	12.75	-39.89
CC(CC1=CC=C(NCC2=CN(C)N=C2C2=CC=CN=C2)C=C1)C(=O)[O-]	REAL300018336431	0	47	-1.0	-54.22	385.84	9.73	-44.49
CC(CC1=CC=C(NCC2=CN(C)N=C2C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300018336432	0	47	-1.0	-52.85	386.05	9.77	-43.08
CC(CC1=CC=C(NCC2=CN=C3C=CC=CN23)C=C1)C(=O)[O-]	REAL300018336433	0	41	-1.0	-51.82	341.20	10.16	-41.66
CC(CC1=CC=C(NCC2=CN=C(N(C)C)S2)C=C1)C(=O)[O-]	REAL300018336434	0	42	-1.0	-49.23	354.85	8.71	-40.52
CC(C)OC1=CC=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336435	0	48	-1.0	-48.56	383.61	10.58	-37.98
CC(CC1=CC=C(NCC2=CN(C)N=C2C2=CC3=CC=CC=C3O2)C=C1)C(=O)[O-]	REAL300018336436	0	51	-1.0	-54.56	425.53	11.57	-42.99
CC1=CC=C(C2=NC(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)=CS2)C=C1	REAL300018336437	0	47	-1.0	-49.61	399.77	11.17	-38.44
CC(C)C1=NC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CS1	REAL300018336438	0	43	-1.0	-48.80	362.09	8.76	-40.04
CC(CC1=CC=C(NCC2=CSC(C3CC3)=N2)C=C1)C(=O)[O-]	REAL300018336439	0	41	-1.0	-48.78	349.97	8.92	-39.86
CC(CC1=CC=C(NCC2=CC=CC(OCC3=CC=CC=C3F)=C2)C=C1)C(=O)[O-]	REAL300018336440	0	52	-1.0	-49.27	429.30	13.18	-36.09
CC(CC1=CC=C(NCC2=CSC(COC3=CC=CC=C3)=N2)C=C1)C(=O)[O-]	REAL300018336441	0	48	-1.0	-51.30	409.93	10.01	-41.29
CCC1=NC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CS1	REAL300018336442	0	40	-1.0	-48.40	341.56	8.16	-40.24
CC(CCC1=CC=CC(F)=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336443	0	47	-1.0	-48.60	381.22	12.16	-36.44
CC1=CC=CC(CCC(C)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336444	0	50	-1.0	-47.94	396.94	12.77	-35.17
CC(CCC1=CC=CC(C(F)(F)F)=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336445	0	50	-1.0	-48.86	413.78	13.10	-35.76
CC1=CC=C(CCC(C)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336446	0	50	-1.0	-47.57	396.28	12.76	-34.81
CC(CC1=CC=C(NCC2=CN(C)N=C2C2=CC=C([N+](=O)[O-])C=C2)C=C1)C(=O)[O-]	REAL300018336448	0	50	-1.0	-54.08	418.24	12.18	-41.90
CC1=CC=C(OCC2=NC(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)=CS2)C=C1	REAL300018336450	0	51	-1.0	-51.29	431.35	10.68	-40.61
CC(C)=CCOC1=CC=C(CCC(C)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336451	0	61	-1.0	-48.99	478.56	14.33	-34.66
CC(CC1=CC=C(NCC2=CSC(C(C)(C)C)=N2)C=C1)C(=O)[O-]	REAL300018336452	0	46	-1.0	-48.67	381.03	9.26	-39.41
CC(CC1=CC=C(NCC2=CSC(C3=CSC=C3)=N2)C=C1)C(=O)[O-]	REAL300018336453	0	41	-1.0	-49.04	369.39	9.43	-39.61
CC(CC1=CC=C(NCC2=CC=C(C3=CC=CC(F)=C3)S2)C=C1)C(=O)[O-]	REAL300018336454	0	45	-1.0	-49.95	388.58	12.57	-37.38
CC(CC1=CC=C(NC2CCN(C3=CC=C(F)C=C3F)CC2)C=C1)C(=O)[O-]	REAL300018336455	0	50	-1.0	-48.45	400.64	10.62	-37.83
CC(CC1=CC=C(NCC2=CC3=NC=CN=C3C=C2)C=C1)C(=O)[O-]	REAL300018336456	0	42	-1.0	-52.47	350.36	8.15	-44.32
CC(CC1=CC=C(NCC2=CC=CC=C2OC2CCCC2)C=C1)C(=O)[O-]	REAL300018336457	0	52	-1.0	-48.00	407.51	11.95	-36.05
CC(CC1=CC=C(NCC2=CN3C=C(Cl)C=CC3=N2)C=C1)C(=O)[O-]	REAL300018336458	0	41	-1.0	-51.02	357.20	10.72	-40.30
CC(CC1=CC=C(NCC2=CN=C(C(C)(C)C)S2)C=C1)C(=O)[O-]	REAL300018336459	0	46	-1.0	-47.64	380.39	9.50	-38.14
CC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C(C)S1	REAL300018336461	0	41	-1.0	-46.72	345.85	10.23	-36.49
CC1=CC=C(C2=CC=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)S2)C=C1	REAL300018336462	0	48	-1.0	-48.47	403.57	13.18	-35.29
CC(CC1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C=C1)C(=O)[O-]	REAL300018336463	0	44	-1.0	-51.87	380.74	10.02	-41.85
COC1=C(Cl)C=C(Cl)C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336464	0	42	-1.0	-47.19	376.10	10.11	-37.08
C#CCOC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336465	0	44	-1.0	-49.36	370.65	10.51	-38.85
CC(CC1=CC=C(NCC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C=C1)C(=O)[O-]	REAL300018336466	0	49	-1.0	-47.51	415.02	12.70	-34.81
CCOC1=C(OC)C=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1OC	REAL300018336467	0	53	-1.0	-51.01	427.27	9.77	-41.24
COCCCOC1=CC=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336470	0	52	-1.0	-50.11	420.85	9.83	-40.28
COC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1SC	REAL300018336471	0	46	-1.0	-49.52	382.43	10.05	-39.47
CCC(C)OC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1OC	REAL300018336472	0	55	-1.0	-49.97	433.61	11.27	-38.70
C=C(C)COC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1OC	REAL300018336473	0	53	-1.0	-50.38	427.24	11.21	-39.17
COC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1OCCC(C)C	REAL300018336474	0	58	-1.0	-49.52	454.68	11.93	-37.59
CCOCC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1OC	REAL300018336476	0	52	-1.0	-49.37	417.91	9.95	-39.42
CC(CC1=CC=C(NCC2=CC(C3=CC=CC=C3)=NN2)C=C1)C(=O)[O-]	REAL300018336477	0	45	-1.0	-50.75	373.76	9.65	-41.10
CCOC1=CC=C([N+](=O)[O-])C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336478	0	47	-1.0	-51.59	392.03	10.63	-40.96
CC1=NN(C)C(OCC(F)(F)F)=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336479	0	48	-1.0	-51.18	410.93	8.22	-42.96
CCCC(CC1=CC=CC=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336480	0	50	-1.0	-48.36	384.32	12.42	-35.94
CC(CC1=CC=C(NCC2=CN(C3=CC=CC=C3)N=N2)C=C1)C(=O)[O-]	REAL300018336481	0	44	-1.0	-54.31	367.24	9.56	-44.75
CC(CC1=CC=C(NCC2=NC(C3=CC=CC=C3)=CS2)C=C1)C(=O)[O-]	REAL300018336482	0	44	-1.0	-49.96	376.61	10.47	-39.49
CCN1N=C(C)C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C	REAL300018336483	0	47	-1.0	-50.47	377.00	9.33	-41.14
CC(CCC1=CC=C(C(F)(F)F)C=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336484	0	50	-1.0	-48.38	413.61	13.08	-35.30
C=CCOC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1Cl	REAL300018336485	0	46	-1.0	-48.74	393.80	11.07	-37.67
CC(CC1=CC=C(NCC2=CN=C(C3=CC=CC=C3)S2)C=C1)C(=O)[O-]	REAL300018336486	0	44	-1.0	-49.04	378.58	10.74	-38.30
COCCC(CC1=CC=CC(F)=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336487	0	51	-1.0	-50.42	414.53	11.38	-39.04
CC(C)CCC1CCCC1NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336488	0	53	-1.0	-46.28	399.85	12.10	-34.18
CCCCC1CCCC1NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336489	0	50	-1.0	-46.25	382.28	11.60	-34.65
COC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C2OC(C)CC2=C1	REAL300018336490	0	50	-1.0	-49.46	399.98	9.58	-39.88
CC(CC1=CC=C(NCC2=NN(C)C3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300018336491	0	44	-1.0	-50.60	363.47	9.61	-40.99
CC(CC1=CC=C(NCC2=NNC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300018336492	0	41	-1.0	-49.85	341.42	8.35	-41.50
CC(CC1=CC=C(NCC2=C3C=CC=CC3=NN2)C=C1)C(=O)[O-]	REAL300018336492	1	41	-1.0	-50.56	340.41	8.32	-42.24
CC(CC1=CC=C(NCC2=CC=C(N(C)C)C(F)=C2)C=C1)C(=O)[O-]	REAL300018336493	0	46	-1.0	-48.86	375.24	9.28	-39.58
CC(CC1=CC=C(NCC2=NC=CN2CC(F)(F)F)C=C1)C(=O)[O-]	REAL300018336494	0	41	-1.0	-52.23	351.52	9.20	-43.03
CC(C)CC(CC1=CC=CC(Cl)=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336496	0	53	-1.0	-49.55	419.66	14.37	-35.18
CC(CC1=CC=C(NCC2=CSC(C3=CC=C4OCOC4=C3)=N2)C=C1)C(=O)[O-]	REAL300018336497	0	47	-1.0	-50.83	405.22	9.19	-41.64
CC(CC1=CC=C(NCC2=CC=C3OC(C)(C)CC3=C2)C=C1)C(=O)[O-]	REAL300018336498	0	49	-1.0	-48.78	391.74	10.98	-37.80
CC(CC1=CC=C(NCC2=COC(C3=CC=CC=C3)=N2)C=C1)C(=O)[O-]	REAL300018336499	0	44	-1.0	-51.68	370.99	8.16	-43.52
CC(CC1=CC=C(NCC2=CSC(C3=CC=CS3)=N2)C=C1)C(=O)[O-]	REAL300018336500	0	41	-1.0	-50.26	370.75	9.55	-40.71
CC(CC1=CSC=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336501	0	41	-1.0	-47.90	342.62	10.21	-37.69
CC(CC1=CC=C(NCC2CCCCCCC2)C=C1)C(=O)[O-]	REAL300018336502	0	50	-1.0	-46.14	358.42	10.99	-35.15
CC1=CC=CC(C2=NNC=C2CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336503	0	48	-1.0	-50.98	388.53	10.87	-40.11
COC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC(C(F)(F)F)=C1	REAL300018336504	0	45	-1.0	-48.57	382.56	10.03	-38.54
CC(CC1=CC=C(NCC2=CC=C(Br)C=C2Cl)C=C1)C(=O)[O-]	REAL300018336505	0	38	-1.0	-47.32	350.05	10.77	-36.55
CC(CSC(C)(C)C)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336506	0	47	-1.0	-47.77	373.24	10.73	-37.04
CC(CC1=CC=C(NCC2=CN=C(N(C)C)N2C)C=C1)C(=O)[O-]	REAL300018336507	0	46	-1.0	-49.40	372.19	8.77	-40.63
CC(CC1=CC=C(NCC2=NC(C3=CC=CC=C3)=CN2)C=C1)C(=O)[O-]	REAL300018336508	0	45	-1.0	-52.69	372.38	9.99	-42.70
CC(C)COC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336509	0	51	-1.0	-47.22	406.47	11.45	-35.77
COCCOC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336510	0	49	-1.0	-49.68	398.54	9.22	-40.46
CCC(CC1=CC=C(Cl)C=C1Cl)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336511	0	47	-1.0	-48.67	405.14	13.16	-35.51
CC(CC1=CC=C(NCC2CCCC(C)(C)C2)C=C1)C(=O)[O-]	REAL300018336512	0	50	-1.0	-45.58	369.57	10.99	-34.59
CC(CC1=CC=C(NCC2=CC=C(OC(F)F)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300018336513	0	42	-1.0	-50.18	369.62	9.86	-40.32
CC(CC1=CC=C(NCC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)C=C1)C(=O)[O-]	REAL300018336514	0	46	-1.0	-51.00	406.55	11.16	-39.84
CC1=CC(N(C)C)=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336515	0	49	-1.0	-47.93	382.57	10.82	-37.11
CC(CC1=CC=C(NCC2=CC=C3CCCC3=C2)C=C1)C(=O)[O-]	REAL300018336516	0	45	-1.0	-47.33	359.83	11.65	-35.68
CC1=CC=CC=C1CC(C)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336517	0	47	-1.0	-48.18	368.43	11.73	-36.45
CC1=CC=CC(CC(C)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336518	0	47	-1.0	-48.51	374.05	12.00	-36.51
COC1=CC2=C(C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1)OCO2	REAL300018336519	0	45	-1.0	-50.37	368.74	7.72	-42.65
COC1=CC(Cl)=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1OC	REAL300018336520	0	46	-1.0	-50.09	387.41	9.37	-40.72
COC1=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)SC=C1	REAL300018336521	0	39	-1.0	-48.82	334.46	8.13	-40.69
CC(C)COC1=CC=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336522	0	51	-1.0	-48.22	407.29	11.46	-36.76
CC(CC1=CC=C(NCC2=CC=C(OCCN3CCOCC3)C=C2)C=C1)C(=O)[O-]	REAL300018336523	0	58	-1.0	-49.50	453.53	8.57	-40.93
CC(CC1=CC=C(NCC2=CC=C(F)C3=CC=CC=C23)C=C1)C(=O)[O-]	REAL300018336524	0	44	-1.0	-47.94	361.93	11.85	-36.09
C=CCOC1=C(Cl)C=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1OC	REAL300018336525	0	50	-1.0	-50.07	427.79	11.10	-38.97
COC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1CN1C=CC=N1	REAL300018336526	0	52	-1.0	-52.30	426.41	10.72	-41.58
CC(C)COC1=CC=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336527	0	51	-1.0	-47.97	405.44	11.47	-36.50
CC(CC1=CC=C(NCC2=CC=CC3=C2OC(C)(C)C3)C=C1)C(=O)[O-]	REAL300018336528	0	49	-1.0	-49.62	391.64	10.95	-38.67
CC(CC1=CC=C(NCC2=C(Cl)C=NC=C2Cl)C=C1)C(=O)[O-]	REAL300018336529	0	37	-1.0	-46.68	336.97	8.77	-37.91
CC(CC1=CC=C(NCC2=NC3=C(CCCC3)S2)C=C1)C(=O)[O-]	REAL300018336530	0	44	-1.0	-48.32	362.03	9.46	-38.86
CC(CC1=CC=C(NCC2=CC=NC=C2Br)C=C1)C(=O)[O-]	REAL300018336531	0	37	-1.0	-48.19	327.14	8.47	-39.72
CC(CC1=CC=C(NCC2=CC=NC=C2Cl)C=C1)C(=O)[O-]	REAL300018336532	0	37	-1.0	-48.26	323.26	8.35	-39.91
CC(CC1=CC=C(NCC(C)(C)N2CCOCC2)C=C1)C(=O)[O-]	REAL300018336533	1	50	-1.0	-47.22	369.93	6.57	-40.65
CC(CC1=CC=C(NCC2=CC(F)=CC(Br)=C2)C=C1)C(=O)[O-]	REAL300018336534	0	38	-1.0	-47.23	342.03	10.42	-36.81
CC(CC1=CC=C(F)C=C1Cl)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336535	0	44	-1.0	-48.94	370.16	11.44	-37.50
CC(CC1=CC=C(NCC2=CN(C)N=C2C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018336536	0	48	-1.0	-51.82	390.93	11.54	-40.28
CC(CC1=CC=C(NCC2=CC=CC(N3C=CC=N3)=C2)C=C1)C(=O)[O-]	REAL300018336537	0	45	-1.0	-52.98	371.92	10.90	-42.08
CC(CC1=CC=C(NCC2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300018336538	0	43	-1.0	-52.41	374.33	11.40	-41.01
CC(CC1=CC=C(NCC2=CC3=CC=NC=C3C=C2)C=C1)C(=O)[O-]	REAL300018336539	0	43	-1.0	-49.78	355.32	10.22	-39.56
CC1=C(Br)SC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336540	0	38	-1.0	-46.98	345.82	10.16	-36.82
CC(CC1=CC=C(NCC2=CC=CC3=NNC=C32)C=C1)C(=O)[O-]	REAL300018336541	0	41	-1.0	-51.44	340.45	8.44	-43.00
CC(CC1=CC=C(NCC2=CC=CC3=CNN=C32)C=C1)C(=O)[O-]	REAL300018336542	0	41	-1.0	-53.88	339.82	8.39	-45.49
CC(CC1=CC=C(NCC2=CC3=CC(Br)=CC=C3O2)C=C1)C(=O)[O-]	REAL300018336543	0	41	-1.0	-48.61	363.49	10.86	-37.75
CC(CC1=CC=C(NC2CCN(S(C)(=O)=O)CC2)C=C1)C(=O)[O-]	REAL300018336544	0	46	-1.0	-54.70	369.35	5.74	-48.96
COC1=CC(F)=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336545	0	42	-1.0	-48.07	349.43	9.08	-38.99
CC(CC1=CC=C(NCC2=CN=C(C(C)(C)C)N=C2)C=C1)C(=O)[O-]	REAL300018336546	0	48	-1.0	-48.82	385.12	9.67	-39.15
COC1=CC=CC=C1N1CCC(NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300018336547	0	54	-1.0	-49.09	416.45	9.83	-39.26
CC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C(Cl)=C1	REAL300018336548	0	41	-1.0	-47.38	349.35	10.79	-36.59
COC1=CC=C(OC(F)F)C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336549	0	46	-1.0	-50.37	382.02	8.63	-41.74
CC(CC1=CC=C(NCC2=C(Cl)C=CC=C2OC(F)F)C=C1)C(=O)[O-]	REAL300018336550	0	42	-1.0	-49.09	365.48	9.75	-39.34
CC(CC1=CC=C(NCC2=CC=C([N+](=O)[O-])C(Cl)=C2)C=C1)C(=O)[O-]	REAL300018336551	0	40	-1.0	-51.59	354.18	10.75	-40.84
CC(CC1=CC=C(NCCC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300018336552	0	41	-1.0	-47.89	351.74	10.99	-36.90
CC(CC1=CC=C(NC2CCCC2C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018336553	0	48	-1.0	-47.76	374.60	12.23	-35.53
CC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1OC1=CC=CN=C1	REAL300018336554	0	51	-1.0	-50.22	419.62	11.61	-38.61
CC(CC1=CC=C(F)C=C1Br)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336555	0	44	-1.0	-48.98	373.73	11.52	-37.46
CC1=CC=C(C2=NC=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)S2)C=C1	REAL300018336556	0	47	-1.0	-48.76	399.97	11.42	-37.34
CC(CC1=CC=C(NCC2=CC(Cl)=CC3=CC=CN=C32)C=C1)C(=O)[O-]	REAL300018336557	0	43	-1.0	-50.01	370.35	10.71	-39.30
CC(CC1=CC=C(NCC2=C(Cl)C=CC3=CC=CN=C32)C=C1)C(=O)[O-]	REAL300018336558	0	43	-1.0	-51.90	367.20	10.64	-41.26
CC(CC1=CC=C(NCC2=CC=C(F)C3=CC=CN=C23)C=C1)C(=O)[O-]	REAL300018336559	0	43	-1.0	-50.00	359.27	10.24	-39.76
CC(CC1=CC=C(NCC2=CC(F)=CC3=CC=CN=C32)C=C1)C(=O)[O-]	REAL300018336560	0	43	-1.0	-50.64	360.86	10.29	-40.35
CC(CC1=CC=C(NCC2=CC=C(Cl)C3=CC=CN=C23)C=C1)C(=O)[O-]	REAL300018336561	0	43	-1.0	-49.64	368.11	10.62	-39.02
CC(CC1=CC=C(NCC2=CC=C(S(C)=O)C=C2)C=C1)C(=O)[O-]	REAL300018336562	0	43	-1.0	-57.49	365.77	8.31	-49.18
CC(CC1=CC=C(NCC2=CC=C([N+](=O)[O-])C=C2Cl)C=C1)C(=O)[O-]	REAL300018336563	0	40	-1.0	-50.13	356.16	10.80	-39.33
CC(C)CCN1C=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336564	0	51	-1.0	-47.50	399.89	12.27	-35.23
CC(CC1=CC=C(NCC2=CC=C(C3=C(F)C=CC=C3F)O2)C=C1)C(=O)[O-]	REAL300018336565	0	45	-1.0	-52.88	389.06	11.80	-41.08
CC1=CC(F)=CC=C1C1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)O1	REAL300018336566	0	48	-1.0	-48.91	401.52	12.38	-36.53
CCC1=CC=C(C2=CC=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)O2)C=C1	REAL300018336567	0	51	-1.0	-49.53	417.45	13.08	-36.45
COC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C(OC(F)F)=C1	REAL300018336568	0	46	-1.0	-51.18	381.20	8.62	-42.56
CC(C)C1CC(NC2=CC=C(CC(C)C(=O)[O-])C=C2)CCO1	REAL300018336569	0	48	-1.0	-46.61	360.39	9.37	-37.24
CCN1C=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C(C2=CC=CC=C2)=N1	REAL300018336570	0	51	-1.0	-51.65	412.46	12.41	-39.24
CC(CC1=CC=C(NCC2=CC=C3CCCCC3=C2)C=C1)C(=O)[O-]	REAL300018336571	0	48	-1.0	-46.67	376.21	12.20	-34.47
CC(CC1=CC=C(NC2CCC(C3CCCCC3)CC2)C=C1)C(=O)[O-]	REAL300018336572	0	57	-1.0	-46.04	407.51	13.19	-32.85
CC(C)CC(C)CC(C)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336573	0	52	-1.0	-46.32	388.95	11.56	-34.76
CC1=CC=C(C(C)CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336574	0	47	-1.0	-47.14	372.01	11.72	-35.42
COC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C(C)(C)C	REAL300018336575	0	54	-1.0	-47.70	414.99	11.72	-35.98
COCC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)O1	REAL300018336576	0	42	-1.0	-49.38	349.83	7.73	-41.65
CC(CC1=CC=C(NCC2=CC=CC(OC(C)(C)C)=C2)C=C1)C(=O)[O-]	REAL300018336577	0	51	-1.0	-48.74	394.73	10.87	-37.87
CC(CC1=CC=C(NCC(C)C2CCCCC2)C=C1)C(=O)[O-]	REAL300018336578	0	50	-1.0	-45.77	370.43	11.19	-34.58
CC(CC1=CC=C(NCC2=CC=C(S(N)(=O)=O)C=C2)C=C1)C(=O)[O-]	REAL300018336579	0	43	-1.0	-53.97	367.74	4.68	-49.29
CC(CC1=CC=C(NC2CCC3=CC=CC(Cl)=C3C2)C=C1)C(=O)[O-]	REAL300018336580	0	45	-1.0	-49.35	367.56	11.88	-37.47
CCOC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=C1	REAL300018336581	0	48	-1.0	-47.60	381.98	10.66	-36.94
COC1=CC(C)=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336582	0	45	-1.0	-48.69	364.17	9.74	-38.95
CC(CC1=CC=C(NCC2CCC3=CC=CC=C3C2)C=C1)C(=O)[O-]	REAL300018336583	0	48	-1.0	-48.02	374.81	12.21	-35.81
CC(CC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2N)C=C1)C(=O)[O-]	REAL300018336584	0	40	-1.0	-46.91	357.37	8.73	-38.18
CC(CC1=CC=C(NC2CCC(C3=CC=C(F)C=C3)C2)C=C1)C(=O)[O-]	REAL300018336585	0	48	-1.0	-48.31	382.42	12.30	-36.01
COCC1=CSC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336586	0	42	-1.0	-47.69	359.07	8.53	-39.16
CCCC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300018336587	0	44	-1.0	-46.67	369.45	11.19	-35.48
CC(C)N1C=CN=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336588	0	44	-1.0	-49.48	354.37	9.49	-39.99
CC1=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=CC=C1[N+](=O)[O-]	REAL300018336589	0	43	-1.0	-51.31	356.02	11.05	-40.26
CC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1Br	REAL300018336590	0	41	-1.0	-46.95	353.81	10.92	-36.03
COC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1Cl	REAL300018336591	0	42	-1.0	-48.69	359.86	9.58	-39.11
COC1=CC=CC(C)=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336592	0	45	-1.0	-48.63	359.50	9.61	-39.02
CC(CC1=CC=C(NCC2=C3OC=CC3=CC=C2)C=C1)C(=O)[O-]	REAL300018336593	0	41	-1.0	-50.28	341.70	10.06	-40.22
CC(CC1=CC=C(NCC2=NN(C3=CC=CC=C3)C=C2)C=C1)C(=O)[O-]	REAL300018336594	0	45	-1.0	-52.18	373.16	10.84	-41.34
CC(CC1=CC=C(NCC2=CN=C(C(F)(F)F)S2)C=C1)C(=O)[O-]	REAL300018336595	0	37	-1.0	-48.32	339.62	8.12	-40.20
CCC1=NN(C)C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336596	0	44	-1.0	-50.00	359.16	8.80	-41.20
CC(CC1=CC=C(NCC2=NN3CCCCC3=C2)C=C1)C(=O)[O-]	REAL300018336597	0	45	-1.0	-50.70	358.10	9.03	-41.67
COC1=NC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300018336598	0	38	-1.0	-48.73	331.87	5.36	-43.37
CC(CC1=CC=C(NC2CC3=CC=C(Cl)C=C3C2)C=C1)C(=O)[O-]	REAL300018336599	0	42	-1.0	-47.00	352.62	11.46	-35.54
CC(CC1=CC=C(NCC2=CC3=C(C=N2)OCCO3)C=C1)C(=O)[O-]	REAL300018336600	0	43	-1.0	-50.39	352.89	7.05	-43.34
CC(CC1=CC=C(NCC2=CN=C3C=CC(Cl)=CN23)C=C1)C(=O)[O-]	REAL300018336601	0	41	-1.0	-49.92	357.89	10.66	-39.26
CC1=CC=CN2C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)=CN=C12	REAL300018336602	0	44	-1.0	-51.28	361.80	10.73	-40.55
CC(CC1=CC=C(NCC2=CN=C(Cl)N2C)C=C1)C(=O)[O-]	REAL300018336603	0	38	-1.0	-49.20	329.88	8.56	-40.64
CC(CC1=CC=C(NCC2=CN=C(Br)N2C)C=C1)C(=O)[O-]	REAL300018336604	0	38	-1.0	-49.21	334.17	8.59	-40.62
CC(CC1=CC=C(NCC2=CN(C3=CC=C(F)C=C3)N=N2)C=C1)C(=O)[O-]	REAL300018336605	0	44	-1.0	-53.64	373.65	9.63	-44.01
CC(CC1=CC=C(NCC2=CC(C(F)(F)F)=NN2)C=C1)C(=O)[O-]	REAL300018336606	0	38	-1.0	-49.71	335.58	7.08	-42.63
CC(CC1=CC=C(NCC2=CC3=C(F)C=CC=C3N2)C=C1)C(=O)[O-]	REAL300018336607	0	42	-1.0	-50.31	351.94	9.71	-40.60
CC(CC1=CC=C(NCC2=CC3=CC=C(F)C=C3N2)C=C1)C(=O)[O-]	REAL300018336608	0	42	-1.0	-48.87	352.61	9.73	-39.14
CCOC1=CC=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=N1	REAL300018336609	0	44	-1.0	-49.73	363.35	7.32	-42.41
CC1=C(Cl)C=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336610	0	41	-1.0	-46.80	344.73	10.86	-35.94
CC(CC1=CC=C(NCC2=CC3=CC=NC=C3S2)C=C1)C(=O)[O-]	REAL300018336611	0	40	-1.0	-48.78	345.64	9.46	-39.32
CC1=CC=CC2=NC=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)N21	REAL300018336612	0	44	-1.0	-51.84	354.01	10.75	-41.09
CC(CCC1=NNC2=CC=CC=C21)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336613	0	50	-1.0	-50.97	401.81	10.67	-40.30
C=CCCCCCC(C)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336614	0	50	-1.0	-46.63	392.24	11.98	-34.65
CC1=CC(Cl)=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336615	0	41	-1.0	-46.90	351.66	10.87	-36.03
COCC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336616	0	45	-1.0	-47.95	368.57	9.44	-38.51
COCC(CC(C)(C)C)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336617	0	50	-1.0	-46.46	377.00	9.72	-36.74
CC(CC1=CC=C(NCC2=CC3=CC=CC(F)=C3N=C2)C=C1)C(=O)[O-]	REAL300018336618	0	43	-1.0	-53.37	361.69	10.17	-43.20
CC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC2=CC=CN=C12	REAL300018336619	0	46	-1.0	-50.54	375.56	10.93	-39.61
CC(C)C1CCCC(NC2=CC=C(CC(C)C(=O)[O-])C=C2)C1	REAL300018336620	0	50	-1.0	-46.24	366.75	11.35	-34.89
CCCOC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C	REAL300018336621	0	51	-1.0	-47.35	406.44	11.48	-35.87
COC1=C(C)C=NC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C	REAL300018336622	0	47	-1.0	-49.32	376.79	8.52	-40.80
COC1=CC2=CC=CC=C2C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336623	0	48	-1.0	-49.20	387.75	11.31	-37.89
CC(CC1=CC=C(NC2CCCCC23CCCC3)C=C1)C(=O)[O-]	REAL300018336624	0	51	-1.0	-45.92	367.35	11.80	-34.12
CC(CC1=CC=C(NCC2=CC=C(S(C)(=O)=O)S2)C=C1)C(=O)[O-]	REAL300018336625	0	41	-1.0	-55.83	367.44	6.41	-49.42
CC(CC1=CC=C(NCC2=C3N=CC(Br)=CN3N=C2)C=C1)C(=O)[O-]	REAL300018336626	0	40	-1.0	-50.65	357.42	9.24	-41.41
CC(CC1=CC=C(NCC2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)C=C1)C(=O)[O-]	REAL300018336627	0	57	-1.0	-49.33	450.67	13.95	-35.38
CC(CC1=CC=C(NCC2=CC=CC(F)=C2N)C=C1)C(=O)[O-]	REAL300018336628	0	40	-1.0	-47.68	331.73	7.75	-39.93
CCC(C)CN(C)C1=CC=C(F)C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336630	0	58	-1.0	-47.23	439.69	13.22	-34.01
CCCCCN(C)C1=CC=C(F)C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336631	0	58	-1.0	-47.01	456.48	12.67	-34.34
CC(CC1=CC=C(NCC2=CC=C(C(F)F)C=C2)C=C1)C(=O)[O-]	REAL300018336632	0	41	-1.0	-48.77	347.67	10.66	-38.11
CC(CC1=CC=C(NCC2=CC3=CC(Cl)=CN=C3O2)C=C1)C(=O)[O-]	REAL300018336633	0	40	-1.0	-51.20	353.75	7.70	-43.50
CC(CC1=CC=C(NCC2=CC=CC3=C2CCC3)C=C1)C(=O)[O-]	REAL300018336634	0	45	-1.0	-46.78	357.75	11.53	-35.25
CC(CC1=CC=C(NCC2=CN(C)N=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300018336635	0	40	-1.0	-57.17	343.40	9.05	-48.12
CC(CC1=CC=C(NCC2=NC(Cl)=CS2)C=C1)C(=O)[O-]	REAL300018336636	0	34	-1.0	-48.96	316.09	7.29	-41.67
COC1=NSC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336637	0	38	-1.0	-48.78	331.67	5.65	-43.13
CC(CC1=CC=C(NCC2=CN=C3C=CC(Br)=CN23)C=C1)C(=O)[O-]	REAL300018336638	0	41	-1.0	-49.73	362.45	10.77	-38.96
CC(CC1=CC=C(NCC2=NC=CC3=CC=CC=C32)C=C1)C(=O)[O-]	REAL300018336639	0	43	-1.0	-50.00	352.04	10.02	-39.98
COC1=CC=CC(Cl)=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336640	0	42	-1.0	-48.95	355.73	9.48	-39.47
CC1=NC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)N1C1=CC=CC=C1	REAL300018336641	0	48	-1.0	-49.19	392.58	11.98	-37.21
CCN(C1=CC=CC=C1)C1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336642	0	56	-1.0	-48.32	449.15	14.51	-33.81
CCCN1N=C(C)C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C	REAL300018336643	0	50	-1.0	-49.68	397.69	10.06	-39.62
CCN(CC)C1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1F	REAL300018336644	0	52	-1.0	-48.09	412.78	10.76	-37.33
CCOC1CC(NC2=CC=C(CC(C)C(=O)[O-])C=C2)C12CCCC2	REAL300018336645	0	52	-1.0	-48.04	394.59	10.90	-37.14
COC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C(SC)C=C1OC	REAL300018336646	0	50	-1.0	-50.66	409.83	9.81	-40.85
CC(CC1=CC=C(NC2CCN(C3=CC=C(N(C)C)C=C3)CC2)C=C1)C(=O)[O-]	REAL300018336647	0	58	-1.0	-48.78	435.15	10.63	-38.15
CC(CCC1=CC=CC=C1[N+](=O)[O-])NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336648	0	49	-1.0	-52.95	394.23	12.45	-40.50
CC(CC1=CC=C(NC2CCCC23CCCC3)C=C1)C(=O)[O-]	REAL300018336649	0	48	-1.0	-46.23	352.00	11.30	-34.93
CCCC(CNC1=CC=C(CC(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300018336650	0	50	-1.0	-46.83	391.88	12.50	-34.33
CC(CC1=CC=C(NC2CC(C)CC(C3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300018336651	0	54	-1.0	-47.61	394.48	13.70	-33.91
CC(CC1=CC=C(NCC2=CN=C(C3CC3)O2)C=C1)C(=O)[O-]	REAL300018336652	0	41	-1.0	-49.10	342.18	7.00	-42.10
CC(C)OC1=CC=C(F)C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336653	0	48	-1.0	-48.59	388.96	10.69	-37.90
CC(CC1=CC=C(NCC2=NC3=CC=C(F)C=C3S2)C=C1)C(=O)[O-]	REAL300018336654	0	40	-1.0	-48.50	351.64	9.23	-39.27
CC(CC1=CC=C(NCC2=CC(F)=CC=C2OC(F)F)C=C1)C(=O)[O-]	REAL300018336655	0	42	-1.0	-49.26	358.95	9.41	-39.85
COC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300018336656	0	48	-1.0	-49.40	388.80	11.34	-38.06
CCOC1=CN=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336657	0	44	-1.0	-48.85	359.80	8.11	-40.74
CCOC1=CC(F)=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336658	0	45	-1.0	-47.81	371.29	10.00	-37.81
COC1=CC=C(C(C)CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336659	0	48	-1.0	-48.37	380.09	10.36	-38.01
CC(CC1=CC=C(NCC2=CC(C3CC3)=NN2C)C=C1)C(=O)[O-]	REAL300018336660	0	45	-1.0	-49.30	365.87	9.35	-39.95
CC(CC1=CC=C(NC2CCC3(CCCCC3)CC2)C=C1)C(=O)[O-]	REAL300018336662	0	54	-1.0	-46.17	383.82	11.80	-34.37
CC(CC1=CC=C(NC(C)C(C)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018336663	0	47	-1.0	-46.85	368.08	11.69	-35.16
CC(CC1=CC=C(NC2CC3=C(C2)C2=CC=CC=C2N3)C=C1)C(=O)[O-]	REAL300018336664	0	46	-1.0	-49.46	367.56	10.94	-38.52
COC1=CC=CC2=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)C=CC=C12	REAL300018336666	0	48	-1.0	-49.34	385.53	11.20	-38.14
CC(CC1=CC=C(NCC2=CC=NN2CC2CC2)C=C1)C(=O)[O-]	REAL300018336667	0	45	-1.0	-48.08	367.63	9.70	-38.38
CC(CCC1=CC=CN=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336668	0	46	-1.0	-49.56	369.55	10.29	-39.27
CC(C)C1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1	REAL300018336669	0	47	-1.0	-46.37	373.73	11.63	-34.74
CC(CC1=CC=C(NCC2=CC=C(S(N)(=O)=O)O2)C=C1)C(=O)[O-]	REAL300018336670	0	40	-1.0	-55.74	350.88	2.85	-52.89
CC(CC1=CC=C(NC2CC=C(C3=CC=C(F)C=C3)CC2)C=C1)C(=O)[O-]	REAL300018336671	0	49	-1.0	-47.69	393.96	12.91	-34.78
CC(CC1=CC=C(NC2CCC3(CCOCC3)CC2)C=C1)C(=O)[O-]	REAL300018336672	0	52	-1.0	-47.60	375.36	9.45	-38.15
COC1=CN=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C	REAL300018336673	0	44	-1.0	-49.33	355.16	7.97	-41.36
CC(CC1=CC=C(NCC2=CC=CC(Cl)=C2N)C=C1)C(=O)[O-]	REAL300018336674	0	40	-1.0	-47.08	340.64	8.23	-38.85
CC(CC1=CC=C(NCCC2=CC=C(F)C=C2Cl)C=C1)C(=O)[O-]	REAL300018336675	0	41	-1.0	-48.38	355.16	10.96	-37.42
CC(CC1=CC=C(NCC2=CC3=CN=CC=C3O2)C=C1)C(=O)[O-]	REAL300018336676	0	40	-1.0	-50.00	336.11	8.49	-41.51
CC(CC1=CC=C(NCC2=CC=C(C(F)(F)F)S2)C=C1)C(=O)[O-]	REAL300018336677	0	38	-1.0	-47.74	345.17	10.03	-37.71
CC1=C2C=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)NC2=CC=C1	REAL300018336678	0	45	-1.0	-48.59	366.38	10.28	-38.31
CCOC1CCC(NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300018336679	0	48	-1.0	-47.72	364.34	9.56	-38.16
CC(CC1=CC=C(NCC2=CSC(C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300018336680	0	38	-1.0	-47.56	344.13	9.84	-37.72
CCCOC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=C1	REAL300018336681	0	51	-1.0	-47.78	404.32	11.47	-36.31
COC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1OC1CC1	REAL300018336682	0	50	-1.0	-50.75	404.11	10.60	-40.15
CC(CC1=CC=C(NC2CCC3(CCCC3)CC2)C=C1)C(=O)[O-]	REAL300018336683	0	51	-1.0	-45.88	372.24	11.44	-34.44
CC(CC1=CC=C(NCC2=CC=C(C(F)F)N=C2)C=C1)C(=O)[O-]	REAL300018336684	0	40	-1.0	-49.14	343.75	8.81	-40.33
CC(CC1=CC=C(NC2CCC3=CC=CC=C3CC2)C=C1)C(=O)[O-]	REAL300018336685	0	48	-1.0	-47.20	366.19	11.84	-35.36
CC(CC1=CC=C(NCC2=NC=C(Br)S2)C=C1)C(=O)[O-]	REAL300018336686	0	34	-1.0	-47.37	320.81	7.60	-39.77
CCC1(C)CCC(NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300018336687	0	50	-1.0	-45.86	362.67	10.67	-35.19
CC(CC1=CC=C(NC2CCCC3=CC=CC=C3C2)C=C1)C(=O)[O-]	REAL300018336688	0	48	-1.0	-47.83	367.71	11.92	-35.91
CC(CC1=CC=C(NCC2=CN(C)N=C2C(F)F)C=C1)C(=O)[O-]	REAL300018336689	0	41	-1.0	-52.12	350.75	8.32	-43.80
CC(CC1=CC=C(NC(C)C2CCCCCC2)C=C1)C(=O)[O-]	REAL300018336690	0	50	-1.0	-45.85	362.82	11.19	-34.66
CC(CC1=CC=C(NC(C)C2=CC=C(C3=CC=CC=C3)C=N2)C=C1)C(=O)[O-]	REAL300018336691	0	50	-1.0	-50.36	401.12	12.28	-38.08
CCC1(CC)CCC(NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300018336692	0	53	-1.0	-45.88	377.23	11.16	-34.72
CC(CC1=CC=C(NCC2=CC=CC3=C2CCOC3)C=C1)C(=O)[O-]	REAL300018336693	0	46	-1.0	-47.91	363.35	9.62	-38.29
CC(CC1=CC=C(NCC2CC2C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300018336694	0	45	-1.0	-48.75	363.59	11.64	-37.11
CC(CC1=COC2=CC=CC=C12)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336695	0	47	-1.0	-52.13	382.45	11.61	-40.52
CC(CC1=CC=C(NCC2=CC=CC(S(N)(=O)=O)=C2)C=C1)C(=O)[O-]	REAL300018336696	0	43	-1.0	-54.68	367.74	4.65	-50.03
CCCN1N=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336697	0	44	-1.0	-48.14	356.67	8.94	-39.20
CC1=CC=C2C=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)NC2=C1	REAL300018336698	0	45	-1.0	-48.88	367.61	10.32	-38.56
CC(CC1=CC=C(NCC2=NC=C(C(F)(F)F)S2)C=C1)C(=O)[O-]	REAL300018336699	0	37	-1.0	-47.81	339.97	8.04	-39.77
CC(CC1=CC=C(NCC2=CC=CC(F)=C2OC(F)F)C=C1)C(=O)[O-]	REAL300018336700	0	42	-1.0	-50.76	358.65	9.40	-41.36
CC1=CC=C([N+](=O)[O-])C(C)=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336701	0	46	-1.0	-51.28	373.57	11.39	-39.89
CC(CC1=CC=C(NC2CCCCC(C3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300018336702	0	54	-1.0	-47.02	402.08	13.11	-33.91
CC(CC1=CC=C(NCC2=CC3=CC=CN=C3O2)C=C1)C(=O)[O-]	REAL300018336703	0	40	-1.0	-53.86	336.97	7.20	-46.66
CC1=CC(C)=CC(C2=CC=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)C=C2)=C1	REAL300018336704	0	54	-1.0	-48.06	430.53	14.47	-33.59
CC(CC1=CC=C(NC2CCCC2C2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300018336705	0	48	-1.0	-47.65	385.80	13.03	-34.62
CC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1N1C=NC=N1	REAL300018336706	0	47	-1.0	-52.39	383.26	13.19	-39.20
CCC1CCCC(NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300018336707	0	50	-1.0	-45.98	365.34	10.98	-35.00
CC(CC1=CC=C(NC2CCCC(C)(C)CC2)C=C1)C(=O)[O-]	REAL300018336708	0	50	-1.0	-46.02	355.43	10.47	-35.55
CC(CC1=CC=C(NC2CCCC(C(C)(C)C)CC2)C=C1)C(=O)[O-]	REAL300018336709	0	56	-1.0	-45.92	394.68	11.77	-34.15
CC(CC1=CC=C(NCC2=CC3=CC(F)=CC=C3O2)C=C1)C(=O)[O-]	REAL300018336710	0	41	-1.0	-48.65	347.80	10.29	-38.36
CC(CC1=CC=C(NCC2=CC=C(OCC(F)F)C=C2)C=C1)C(=O)[O-]	REAL300018336711	0	45	-1.0	-51.83	377.93	10.26	-41.57
CC(CC1=CC=C(NCC2=CC3=C(C=C2OC(F)F)OCO3)C=C1)C(=O)[O-]	REAL300018336712	0	45	-1.0	-51.64	378.49	8.01	-43.63
COC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C(Br)=C1	REAL300018336713	0	42	-1.0	-48.48	361.49	9.50	-38.98
COCC1=CC=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336714	0	45	-1.0	-48.36	369.38	9.46	-38.90
CC1=NN(C2=CC=C(Cl)C=C2)C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336715	0	48	-1.0	-50.35	411.21	12.02	-38.33
CC(CC1=CC=C(NCC2=CSC(CN(C)C)=N2)C=C1)C(=O)[O-]	REAL300018336716	0	45	-1.0	-48.43	376.05	6.38	-42.05
CC(CC1=CC=C(NCC2=CC=C(SC3=CC=CC=C3)C=C2)C=C1)C(=O)[O-]	REAL300018336717	0	49	-1.0	-48.12	414.10	13.81	-34.31
CC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C(OC(F)F)C=C1C	REAL300018336718	0	48	-1.0	-49.70	391.59	10.58	-39.12
CCC(CC1=CC=C(OC)C(OC)=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336719	0	55	-1.0	-53.69	433.17	11.45	-42.24
COC1=CC(C)=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1OC	REAL300018336720	0	49	-1.0	-50.29	390.18	9.64	-40.65
CC(CC1=CC=C(NCC2=CC=CC=C2C2CC2)C=C1)C(=O)[O-]	REAL300018336721	0	45	-1.0	-46.94	359.70	11.78	-35.16
CC(CC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300018336722	0	40	-1.0	-50.44	376.44	11.58	-38.86
CC1=C(Br)C=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300018336723	0	38	-1.0	-46.40	346.10	10.20	-36.20
CC(CC1=CC=C(NCCC2=CC=C(F)C=C2F)C=C1)C(=O)[O-]	REAL300018336724	0	41	-1.0	-49.20	347.69	10.62	-38.58
CC1=CC(C)=CC(CCNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336725	0	47	-1.0	-47.29	377.83	11.82	-35.47
CC(CC1=CC=C(NCC2=CNN=C2C2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300018336726	0	45	-1.0	-51.79	383.89	10.72	-41.07
CC(CC1=CC=C(NC2CCCCC2C2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300018336727	0	51	-1.0	-46.94	405.68	13.23	-33.71
COC1=CC=C(CC(C)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=C1OC	REAL300018336728	0	55	-1.0	-52.35	428.16	11.04	-41.31
COC1=CC=C(N2C=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)C=N2)C=C1	REAL300018336729	0	49	-1.0	-51.79	402.59	10.23	-41.56
CC(CCC1=CSC=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336730	0	44	-1.0	-47.23	364.70	11.00	-36.23
COCCC1=CC=C(OCC(C)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336731	0	55	-1.0	-48.79	437.52	10.62	-38.17
CCC(CC1=CC=C(Br)C=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336732	0	47	-1.0	-49.74	394.70	12.85	-36.89
CC1=NN(C2=CC=CC=C2Cl)C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336733	0	48	-1.0	-52.30	405.77	12.17	-40.13
CC(CC1=CC=C(NCC2=CC=C(N(C)CC3=CC=CS3)C=C2)C=C1)C(=O)[O-]	REAL300018336734	0	53	-1.0	-48.33	434.56	13.10	-35.23
CC(CC1=CC=C(NCC2=C(F)C=NC=C2Br)C=C1)C(=O)[O-]	REAL300018336735	0	37	-1.0	-47.00	332.22	8.47	-38.53
CC(CC1=CC=C(NC2CCCC(C3=CC=C(Cl)C=C3)C2)C=C1)C(=O)[O-]	REAL300018336736	0	51	-1.0	-47.99	404.82	13.59	-34.40
CC(CC1=CC=C(NC2CCCC2C2=CC=C(C(F)(F)F)C=C2)C=C1)C(=O)[O-]	REAL300018336737	0	51	-1.0	-49.24	413.32	13.23	-36.01
CC(CC1=CC=C(NCC2=CNN=C2C2=CSC=C2)C=C1)C(=O)[O-]	REAL300018336738	0	42	-1.0	-50.96	359.17	9.17	-41.79
CC(CC1=CC=C(NCC2=CC(C3=CC=CC=N3)=NN2)C=C1)C(=O)[O-]	REAL300018336739	0	44	-1.0	-52.06	369.70	7.93	-44.13
CC(CC1=CN(C)N=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336740	0	44	-1.0	-51.80	356.48	9.06	-42.74
CC(CC1=CC=C(NCC2=CN=C3C(=C2)C=NN3C)C=C1)C(=O)[O-]	REAL300018336741	0	43	-1.0	-52.44	358.63	8.87	-43.57
CC(CCC1=CC=C(F)C=C1F)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336742	0	47	-1.0	-48.77	386.59	12.18	-36.59
CC(C)SC1=CC=CC(Cl)=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336743	0	48	-1.0	-48.83	403.41	12.43	-36.40
CSC1=CC(Br)=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336744	0	42	-1.0	-47.27	372.46	11.21	-36.06
CCC(CC1=CC=C(C(F)(F)F)C=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336746	0	50	-1.0	-51.41	412.95	13.25	-38.16
COCC(CC1CCOCC1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336747	0	52	-1.0	-47.80	397.50	8.28	-39.52
CC(CC1=CC=C(NCCCC2=CN(C)N=C2)C=C1)C(=O)[O-]	REAL300018336748	0	44	-1.0	-51.09	359.31	9.04	-42.05
CC(CC1=CC=C(NC2CCCC2C2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300018336749	0	48	-1.0	-49.53	383.70	13.10	-36.43
CC(CC1=CC=C(NCC2=CN=C(N3CCN(C)CC3)N=C2)C=C1)C(=O)[O-]	REAL300018336750	0	53	-1.0	-50.48	417.69	8.03	-42.45
CC(CC1=CC=C(NC2CC=C(C3=CC=C(Cl)C=C3)CC2)C=C1)C(=O)[O-]	REAL300018336751	0	49	-1.0	-47.54	405.08	13.38	-34.16
CC(CC1=CC=C(NCC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)C=C1)C(=O)[O-]	REAL300018336752	0	51	-1.0	-52.45	406.45	11.51	-40.94
CC(CC1=CC=C(NCC2=NC3=CC(C(F)(F)F)=CC=C3N2C)C=C1)C(=O)[O-]	REAL300018336753	0	47	-1.0	-52.09	398.89	11.03	-41.06
CC(CC1=CC=C(NC2CCCC2C2=CC=CC(C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300018336754	0	51	-1.0	-49.06	413.92	13.25	-35.81
CC(CC1=CC=C(NCC2=NC3=C(CC(C)CC3)S2)C=C1)C(=O)[O-]	REAL300018336755	0	47	-1.0	-48.00	382.85	10.05	-37.95
CCC1=CN=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)S1	REAL300018336756	0	40	-1.0	-48.27	342.51	8.45	-39.82
CC(CC1=CC=C(NCC2=CC=CC=C2N2CCCCC2)C=C1)C(=O)[O-]	REAL300018336757	0	53	-1.0	-46.74	409.51	11.58	-35.16
CC(CC1=CC=C(NC2CCC3COCCC3C2)C=C1)C(=O)[O-]	REAL300018336758	0	49	-1.0	-47.04	362.84	9.52	-37.52
CC(CC1=CC=C(NC2CC3(C2)COC(C)(C)C3)C=C1)C(=O)[O-]	REAL300018336759	0	49	-1.0	-47.47	377.04	9.38	-38.09
CC(CC1=CC=C(NC2CC3(C2)COC(C)C3)C=C1)C(=O)[O-]	REAL300018336760	0	46	-1.0	-47.73	356.06	8.69	-39.04
CC(CC1=CC=C(NC2CCOC3=CC=CC=C3C2)C=C1)C(=O)[O-]	REAL300018336761	0	46	-1.0	-47.54	360.96	10.17	-37.37
CC(CC1=CC=C(NC2CCCC3=C(C=CS3)C2)C=C1)C(=O)[O-]	REAL300018336762	0	45	-1.0	-47.43	360.12	11.08	-36.35
CC(CC1=CC=C(NCC2=C3C(=CC=C2)N=CN3C)C=C1)C(=O)[O-]	REAL300018336763	0	44	-1.0	-51.27	354.80	11.17	-40.10
COC1=CC=C(C)C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336764	0	45	-1.0	-48.70	360.97	9.74	-38.96
CC(CC1=CC=C(NCC2=NOC(C3CCC3)=C2)C=C1)C(=O)[O-]	REAL300018336765	0	44	-1.0	-49.16	359.48	9.97	-39.19
CC(CC1=CC=C(NCC2=NOC(C3(C)CC3)=C2)C=C1)C(=O)[O-]	REAL300018336766	0	44	-1.0	-48.76	361.07	9.85	-38.91
CC1=CC(F)=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336767	0	41	-1.0	-47.46	341.33	10.44	-37.02
CC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=C1C	REAL300018336768	0	47	-1.0	-47.20	366.20	11.56	-35.64
CC(CC1=CC=C(NCC2=CC=CC=C2C(C)(C)C)C=C1)C(=O)[O-]	REAL300018336769	0	50	-1.0	-46.69	373.46	12.33	-34.36
CC(CC1=CC=C(NCC2=CN=C3CCCCCN23)C=C1)C(=O)[O-]	REAL300018336770	0	48	-1.0	-49.90	370.41	10.12	-39.78
COC1=CC=C2SC(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)=CC2=C1	REAL300018336771	0	45	-1.0	-48.95	380.45	10.53	-38.42
CC(CC1=CC=C(NCC2=CON=C2C2CC2)C=C1)C(=O)[O-]	REAL300018336772	0	41	-1.0	-49.07	341.79	9.30	-39.77
CC(CC1=CC=C(NCC2=CC(C3=CC=CC=C3)=NO2)C=C1)C(=O)[O-]	REAL300018336773	0	44	-1.0	-50.97	368.48	10.87	-40.10
CCN1CCC2=CC(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)=CC=C21	REAL300018336774	0	50	-1.0	-47.44	390.36	10.21	-37.23
CC(CC1=CC=C(NC2CCC3(COC(C)(C)C3)CC2)C=C1)C(=O)[O-]	REAL300018336775	0	55	-1.0	-47.80	402.98	10.24	-37.56
CSC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1Cl	REAL300018336776	0	42	-1.0	-48.46	368.74	11.17	-37.29
CC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1C1CC1	REAL300018336777	0	48	-1.0	-47.08	381.35	12.35	-34.73
COC1=CC=CC2=C1CCCC(NC1=CC=C(CC(C)C(=O)[O-])C=C1)C2	REAL300018336778	0	52	-1.0	-48.89	396.48	11.33	-37.56
CCOC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=N1	REAL300018336779	0	44	-1.0	-48.88	362.46	7.36	-41.52
CC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1C1CC1	REAL300018336780	0	48	-1.0	-46.84	379.94	12.33	-34.51
CC1=NN(C2=CC=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)C(C)=C2)C=C1	REAL300018336781	0	51	-1.0	-51.72	410.99	12.20	-39.52
CC(CC1=CC=C(NCC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C=C1)C(=O)[O-]	REAL300018336782	0	44	-1.0	-47.25	384.71	11.58	-35.67
CC1=CC(N2C=C(Cl)C=N2)=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336783	0	48	-1.0	-50.21	406.99	12.14	-38.07
CC1=NN(C2=CC=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)C=C2)C=C1Cl	REAL300018336784	0	48	-1.0	-50.72	411.23	12.02	-38.70
CC(C)CC1CCCC1NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336785	0	50	-1.0	-46.24	372.57	11.66	-34.58
CC(CC1=CC=C(NCC2=CN=C(C3CCOCC3)O2)C=C1)C(=O)[O-]	REAL300018336786	0	48	-1.0	-50.12	386.61	6.19	-43.93
CC(CC1=CC=C(NCC2=NOC(C3CC3)=C2)C=C1)C(=O)[O-]	REAL300018336787	0	41	-1.0	-49.01	342.09	9.42	-39.59
CC(CC1=CC=C(NCC2=CC=C3OC(C)C(C)C3=C2)C=C1)C(=O)[O-]	REAL300018336788	0	49	-1.0	-48.80	387.72	10.84	-37.96
CC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1OC(F)F	REAL300018336789	0	45	-1.0	-50.61	373.66	10.06	-40.55
CC(C)C1=CC=C(O)C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336790	0	48	-1.0	-47.86	383.80	8.81	-39.05
CC1=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)NN=C1C(F)(F)F	REAL300018336791	0	41	-1.0	-49.52	354.04	7.65	-41.87
CC(CC1=CC=C(NC2CCC3(CCC3)CC2)C=C1)C(=O)[O-]	REAL300018336792	0	48	-1.0	-46.23	359.16	10.95	-35.28
CC(CC1=CC=C(NCC2=NC(C3CC3)=CS2)C=C1)C(=O)[O-]	REAL300018336793	0	41	-1.0	-48.43	349.09	8.91	-39.52
CC(CC1=CC=C(NCC2=CN(CC3CC3)N=N2)C=C1)C(=O)[O-]	REAL300018336794	0	44	-1.0	-53.51	363.04	8.60	-44.91
CC(CC1=CC=C(NCC2=CC=C3CCOC3=C2)C=C1)C(=O)[O-]	REAL300018336795	0	43	-1.0	-49.08	349.37	9.55	-39.53
CC(CC1=CC=C(NCC2=NC3=C(CCCC3)N2)C=C1)C(=O)[O-]	REAL300018336796	0	45	-1.0	-50.73	357.22	8.78	-41.95
CC(CC1=CC=C(NCC2=CC=C3COCCC3=C2)C=C1)C(=O)[O-]	REAL300018336797	0	46	-1.0	-48.38	368.04	9.82	-38.56
CC1=CC=CC(F)=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336798	0	41	-1.0	-48.18	335.83	10.24	-37.94
CC(CC1=CC=C(NCC2=CC=CC=C2C2CCC2)C=C1)C(=O)[O-]	REAL300018336799	0	48	-1.0	-46.78	375.83	12.23	-34.55
CC(CC1=CC=C(NCC2=CN(C)N=C2C2CCOCC2)C=C1)C(=O)[O-]	REAL300018336800	0	52	-1.0	-50.75	411.33	8.85	-41.90
CC(CC1=CC=C(NCC2=CN=CC(C3=CC=CN=C3)=C2)C=C1)C(=O)[O-]	REAL300018336801	0	46	-1.0	-51.18	377.79	9.55	-41.63
CC(CC1=CC=C(NC2CC(COCC3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300018336802	0	52	-1.0	-49.57	415.99	11.84	-37.73
CSC1=CC=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336803	0	42	-1.0	-48.43	354.54	10.75	-37.68
CC(CC1=CC=C(NCC2=CC=NN2C(C)(C)C)C=C1)C(=O)[O-]	REAL300018336804	0	47	-1.0	-48.31	365.13	9.65	-38.66
CC(CC1=CC=C(NC2CCC3=CC(Cl)=CC=C3C2)C=C1)C(=O)[O-]	REAL300018336805	0	45	-1.0	-47.77	369.99	11.95	-35.82
CC(C)C1=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)N(C)N=C1	REAL300018336806	0	47	-1.0	-48.49	376.47	9.20	-39.29
CC(CC1=CC=C(NC2CC(C3=CC=CC=C3Br)C2)C=C1)C(=O)[O-]	REAL300018336807	0	45	-1.0	-48.48	375.17	12.15	-36.33
CCC(NC1=CC=C(CC(C)C(=O)[O-])C=C1)C(C)CC1=CC=CC=C1	REAL300018336808	0	53	-1.0	-48.52	405.09	13.24	-35.28
CC(CC1=CC=C(NCC2=CC=C(CC3CC3)S2)C=C1)C(=O)[O-]	REAL300018336809	0	45	-1.0	-46.38	378.74	11.94	-34.44
CC(CC1=CC=C(NCC2=CC=C(OC3CC3)C=C2)C=C1)C(=O)[O-]	REAL300018336810	0	46	-1.0	-48.17	374.06	10.68	-37.49
CC(CC1=CC=C(NCC2=CC=C(OC(F)(F)F)C=C2F)C=C1)C(=O)[O-]	REAL300018336811	0	42	-1.0	-47.22	365.10	9.52	-37.70
CC(CC1=CC=C(NCC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300018336812	0	44	-1.0	-47.76	384.72	11.58	-36.18
CC1=NC=CN1C1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=C1	REAL300018336813	0	51	-1.0	-50.56	410.40	12.89	-37.67
CC1=C(C)N(C2=CC=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)C=C2)C=N1	REAL300018336814	0	51	-1.0	-51.08	411.23	13.32	-37.76
CC(CC1=CC=C(NCC2=CC=C(C3CC3)C(C3CC3)=C2)C=C1)C(=O)[O-]	REAL300018336815	0	52	-1.0	-46.73	408.47	13.73	-33.00
CC1=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)OC2=CC=C(F)C=C12	REAL300018336817	0	44	-1.0	-48.45	368.21	10.94	-37.51
CC(CC1=CC=C(Cl)C=C1F)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336818	0	44	-1.0	-49.54	371.26	12.02	-37.52
CC(CC1=CC=C(NCC2=CC(C3=CC=CC=C3)=NN2C)C=C1)C(=O)[O-]	REAL300018336819	0	48	-1.0	-50.73	393.62	10.82	-39.91
CCCN1C=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=N1	REAL300018336820	0	44	-1.0	-50.74	360.18	9.06	-41.68
CC(C)N1C=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=N1	REAL300018336821	0	44	-1.0	-50.73	357.42	8.82	-41.91
CC(CC1=CC=C(NCC2=CN=CC(C(C)(C)C)=C2)C=C1)C(=O)[O-]	REAL300018336822	0	49	-1.0	-47.94	385.73	10.23	-37.71
CC(CC1=CC=C(NCC2=NN(CC(F)(F)F)C=C2)C=C1)C(=O)[O-]	REAL300018336823	0	41	-1.0	-54.28	356.64	8.79	-45.49
CC(CC1=CC=C(NCC2=NC3=C(CCCC3)N2C)C=C1)C(=O)[O-]	REAL300018336824	0	48	-1.0	-51.07	376.28	10.36	-40.71
CC(CC1=CC=C(NCC2=CN(C)N=C2C(F)(F)F)C=C1)C(=O)[O-]	REAL300018336825	0	41	-1.0	-52.86	356.89	8.55	-44.31
CC(CC1=CC=C(NCC2=CC3=CC=CC=C3C=N2)C=C1)C(=O)[O-]	REAL300018336826	0	43	-1.0	-50.47	355.47	10.15	-40.32
COC1=NC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1C	REAL300018336827	0	44	-1.0	-49.49	360.82	7.08	-42.41
CC(CC1=CC=C(NCC2=CC=CC(C(F)F)=C2F)C=C1)C(=O)[O-]	REAL300018336828	0	41	-1.0	-50.79	350.17	10.61	-40.18
CC(CC1=CC=C(NCC2=CC=CC3=C2COCC3)C=C1)C(=O)[O-]	REAL300018336829	0	46	-1.0	-48.82	364.08	9.67	-39.15
CCOC1=CC=C(Cl)C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336830	0	45	-1.0	-48.23	381.36	10.51	-37.72
CC(CC1=CC=C(NCC2=CNN=C2C2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300018336831	0	45	-1.0	-52.89	374.38	10.31	-42.58
CC(CC1=CC=C(NCC2=CC3=C(CCCC3)O2)C=C1)C(=O)[O-]	REAL300018336832	0	45	-1.0	-48.08	357.78	10.54	-37.54
CCC(C)N1N=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336833	0	47	-1.0	-48.25	375.65	9.50	-38.75
CC(CC1=CC=C(NCC2=CN(C3CCCCC3)N=C2)C=C1)C(=O)[O-]	REAL300018336834	0	51	-1.0	-48.74	398.17	10.74	-38.00
CC(CC1=CC=C(NC2CC3CCCCC3C2)C=C1)C(=O)[O-]	REAL300018336835	0	48	-1.0	-46.25	359.69	11.16	-35.09
COC1=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=CC=C1C(C)(C)C	REAL300018336836	0	54	-1.0	-47.13	405.21	11.85	-35.28
CC(CC1=CC=C(NCC2=NC(Br)=CN2C)C=C1)C(=O)[O-]	REAL300018336837	0	38	-1.0	-51.01	334.88	8.53	-42.48
COC1=CC(C)=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=N1	REAL300018336838	0	44	-1.0	-49.05	358.93	7.13	-41.92
CC(CC1=CC=C(NCC2=NC3=CC=CC=C3S2)C=C1)C(=O)[O-]	REAL300018336839	0	40	-1.0	-50.20	345.17	9.15	-41.05
COC1=CC=CC(C2CC(NC3=CC=C(CC(C)C(=O)[O-])C=C3)C2)=C1	REAL300018336840	0	49	-1.0	-49.36	387.00	10.91	-38.45
CC1=NOC(C2CC(NC3=CC=C(CC(C)C(=O)[O-])C=C3)C2)=N1	REAL300018336841	0	43	-1.0	-51.50	352.83	7.34	-44.16
CC(CC1=CC=C(NC2CC(C3CCOCC3)C2)C=C1)C(=O)[O-]	REAL300018336842	0	49	-1.0	-47.65	375.19	9.58	-38.07
CCCN1C=NC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336843	0	44	-1.0	-49.32	355.59	10.62	-38.70
CC1=CC(C)=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=C1Br	REAL300018336844	0	47	-1.0	-47.21	384.63	11.85	-35.36
CC(CC1=CC=C(NCC=CC2=CC=C3OCOC3=C2)C=C1)C(=O)[O-]	REAL300018336845	0	45	-1.0	-51.13	371.41	9.69	-41.44
CC(CC1=CC=C(NCC2=CC=C(CC3CCC3)C=C2)C=C1)C(=O)[O-]	REAL300018336846	0	51	-1.0	-46.26	404.63	13.23	-33.03
COC(F)(F)C(F)(F)C1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336847	0	48	-1.0	-48.67	409.76	10.49	-38.18
COC1=CC=C(CC(C)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=C1	REAL300018336848	0	51	-1.0	-50.65	398.69	11.06	-39.59
CCC1=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=NN1CC	REAL300018336849	0	47	-1.0	-49.37	376.30	9.60	-39.77
CC1=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C(C(F)(F)F)=CO1	REAL300018336850	0	41	-1.0	-49.19	354.97	9.49	-39.70
CC(CC1=CC=C(NCC2=CC=CC(C(C)(F)F)=C2)C=C1)C(=O)[O-]	REAL300018336851	0	44	-1.0	-48.33	366.73	11.23	-37.10
CC(CC1=CC=C(NCC2=CC=C(C3=CSC=C3)N=C2)C=C1)C(=O)[O-]	REAL300018336852	0	44	-1.0	-49.90	377.26	10.51	-39.39
CC(CC1=CC=C(NCC2=CNN=C2C2=CN(C)N=C2)C=C1)C(=O)[O-]	REAL300018336853	0	45	-1.0	-54.86	373.53	7.93	-46.93
COC1=CC=C(CCC(C)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C(C)=C1	REAL300018336854	0	54	-1.0	-49.18	419.59	11.85	-37.33
CC(CC1=CC=C(NC2CC3CCCCCC3C2)C=C1)C(=O)[O-]	REAL300018336855	0	51	-1.0	-45.97	374.21	11.68	-34.29
CC(CC1=CC=C(NC2CCC(C)C3=CC=CC=C3C2)C=C1)C(=O)[O-]	REAL300018336856	0	51	-1.0	-47.65	384.17	12.37	-35.28
CC(CC1=CC=C(NCC2=CC=C(C3=CSC=C3)C=C2)C=C1)C(=O)[O-]	REAL300018336857	0	45	-1.0	-47.52	379.08	12.15	-35.37
CCOC1=CC(CCC(C)NC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1O	REAL300018336858	0	55	-1.0	-51.05	437.65	10.15	-40.90
CC(CC1=CC=C(NCC2=CC=CC3=CC(Cl)=CC=C32)C=C1)C(=O)[O-]	REAL300018336859	0	44	-1.0	-47.67	373.08	12.32	-35.35
COC1=C(C)C(C)=C(OC)C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C	REAL300018336860	0	55	-1.0	-48.70	425.78	10.35	-38.35
CC(CC1=CC=C(NCC2=CC=CC=C2OC2CCCCC2)C=C1)C(=O)[O-]	REAL300018336861	0	55	-1.0	-47.90	423.36	12.51	-35.39
CC(CC1=CC=C(NCC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C=C1)C(=O)[O-]	REAL300018336862	0	49	-1.0	-49.21	419.74	13.09	-36.12
C=CCC1=CC=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336863	0	45	-1.0	-47.00	363.88	11.70	-35.30
CC(CC1=CC=C(NCC2=CC=CC=C2COC2CCCCC2)C=C1)C(=O)[O-]	REAL300018336864	0	58	-1.0	-46.80	447.00	13.18	-33.62
COC1=CC=CC(OC2=CC=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)C=C2)=C1	REAL300018336865	0	53	-1.0	-49.93	431.71	11.87	-38.06
COC1=CC=CC=C1OC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336866	0	53	-1.0	-51.53	433.61	12.51	-39.02
COCC1=CC=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336867	0	45	-1.0	-47.60	364.05	9.56	-38.04
CC(CC1=CC=C(NCC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300018336868	0	51	-1.0	-47.28	425.53	14.52	-32.76
CC(CC1=CC=C(NCC2=CC=CC(SC(F)(F)F)=C2)C=C1)C(=O)[O-]	REAL300018336869	0	42	-1.0	-47.35	370.72	11.19	-36.16
CC(CC1=CC=C(NCC2=CC=C3CCOCC3=C2)C=C1)C(=O)[O-]	REAL300018336870	0	46	-1.0	-48.11	367.22	9.79	-38.32
CC1=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)SC2=CC(F)=CC=C12	REAL300018336871	0	44	-1.0	-47.97	374.95	11.81	-36.16
CC(CC1=CC=C(NCC2=CC(C3=CC=NC=C3)=NN2)C=C1)C(=O)[O-]	REAL300018336872	0	44	-1.0	-51.33	368.94	7.89	-43.44
COC1=CC=C(F)C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1OC	REAL300018336873	0	46	-1.0	-50.45	377.82	9.00	-41.45
CCN1C=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C(C2CC2)=N1	REAL300018336874	0	48	-1.0	-50.27	391.61	10.56	-39.71
COC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1OCCO	REAL300018336875	0	50	-1.0	-53.34	406.30	6.77	-46.57
CC(CC1=CC=C(NCC2=CN(C)N=C2C2=CC=NN2C)C=C1)C(=O)[O-]	REAL300018336876	0	48	-1.0	-54.42	399.90	8.64	-45.78
CC(CC1=CC=C(NCC2=CON=C2C(C)(C)C)C=C1)C(=O)[O-]	REAL300018336877	0	46	-1.0	-48.92	360.82	9.90	-39.02
CC(CC1=CC=C(NCC2=CC3=CN=CC=C3C=C2)C=C1)C(=O)[O-]	REAL300018336878	0	43	-1.0	-49.45	354.52	10.19	-39.26
COC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CC=C1OCC1CCCO1	REAL300018336879	0	57	-1.0	-52.93	451.19	10.33	-42.60
CC1=CC2=CC=CC(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)=C2O1	REAL300018336880	0	44	-1.0	-50.07	362.78	10.86	-39.21
CC(CC1=CC=C(NCC2=CC=CC(F)=C2C(F)(F)F)C=C1)C(=O)[O-]	REAL300018336881	0	41	-1.0	-51.02	349.04	11.16	-39.86
CC(CC1=CC=C(NCC2=C(F)C=CC=C2OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300018336882	0	45	-1.0	-52.99	388.43	10.48	-42.51
CC(CC1=CC=C(NCC2=CON=C2C2CCC2)C=C1)C(=O)[O-]	REAL300018336883	0	44	-1.0	-49.12	359.06	9.80	-39.32
CC(CC1=CC=C(NCC2=CC=C(C(F)(F)F)C=C2F)C=C1)C(=O)[O-]	REAL300018336884	0	41	-1.0	-48.47	358.66	10.77	-37.70
CC(C)OC1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1F	REAL300018336885	0	48	-1.0	-50.15	389.83	10.66	-39.49
CC1=NN(C2CCCC2)C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1	REAL300018336886	0	51	-1.0	-48.08	401.61	10.77	-37.31
CC(CC1=CC=C(NCC2=CC=NN2CC(F)F)C=C1)C(=O)[O-]	REAL300018336887	0	41	-1.0	-49.57	342.85	8.88	-40.69
CC(CC1=CC=C(NCC2=CC3=CNC=CC3=N2)C=C1)C(=O)[O-]	REAL300018336888	1	41	-1.0	-64.49	340.67	8.01	-56.48
CC(CC1=CC=C(NCC2=CN(C3=CC=CC(F)=C3)N=C2)C=C1)C(=O)[O-]	REAL300018336889	0	45	-1.0	-50.51	379.51	11.01	-39.50
CC(CC1=CC=C(NCC2=NN(C3CCC3)C=C2)C=C1)C(=O)[O-]	REAL300018336890	0	45	-1.0	-50.69	362.55	9.40	-41.29
CC(CC1=CC=C(NCC2=NN(CC(F)F)C=C2)C=C1)C(=O)[O-]	REAL300018336891	0	41	-1.0	-54.00	350.58	8.62	-45.38
CC(CC1=CC=C(NCC2=NN(C3CC3(F)F)C=C2)C=C1)C(=O)[O-]	REAL300018336892	0	42	-1.0	-55.25	360.23	9.16	-46.09
CC(CC1=CC=C(NC2CC3CCCC(C3)C2)C=C1)C(=O)[O-]	REAL300018336893	0	48	-1.0	-46.23	346.83	10.60	-35.63
CC(CC1=CC=C(NCC2=CC(Br)=CC3=CC=CN=C32)C=C1)C(=O)[O-]	REAL300018336894	0	43	-1.0	-50.06	374.91	10.80	-39.26
CC(CC1=CC=C(NCC2=NN(C3CCCC3)C=C2)C=C1)C(=O)[O-]	REAL300018336895	0	48	-1.0	-49.78	379.33	10.05	-39.73
CC(CC1=CC=C(NCC2=C3OC=CC3=C(F)C=C2)C=C1)C(=O)[O-]	REAL300018336896	0	41	-1.0	-50.01	347.22	10.10	-39.91
CC(CC1=CC=C(NCC2=C3OC=CC3=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300018336897	0	41	-1.0	-49.27	358.43	10.57	-38.70
COC1=CC=C2SC(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)=NC2=C1	REAL300018336899	0	44	-1.0	-51.42	374.70	8.43	-42.99
CC(CC1=CC=C(NCC2=CN=C3C=C(Br)C=CN23)C=C1)C(=O)[O-]	REAL300018336900	0	41	-1.0	-49.66	361.68	10.75	-38.91
CC1=CC(Br)=CC(C)=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336901	0	44	-1.0	-46.27	368.81	11.34	-34.93
CC(CC1=CC=C(NCC2=NN(C)C(C3=CC=CO3)=C2)C=C1)C(=O)[O-]	REAL300018336902	0	45	-1.0	-51.17	375.08	9.01	-42.16
CC(CC1=CC=C(NCC2=C(Cl)C=CC3=C2OCO3)C=C1)C(=O)[O-]	REAL300018336903	0	41	-1.0	-49.24	353.62	8.77	-40.47
CC(CC1=CC=C(NCC2=CC=C(C3CCCCC3)C=C2)C=C1)C(=O)[O-]	REAL300018336904	0	54	-1.0	-46.03	415.35	13.52	-32.51
CC1=NN(C2CCC2)C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336905	0	48	-1.0	-49.77	383.84	10.07	-39.70
COC1=CC=CC=C1C=CCNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336906	0	46	-1.0	-49.32	372.92	10.36	-38.96
CC(CC1=CC=C(NCC2=CC=C(C3=CC=CC=N3)N=C2)C=C1)C(=O)[O-]	REAL300018336907	0	46	-1.0	-51.63	383.52	10.08	-41.55
CC(CC1=CC=C(NCC2=CC(C3=CC=CO3)=NN2C)C=C1)C(=O)[O-]	REAL300018336908	0	45	-1.0	-51.94	376.85	8.95	-42.99
CC(CC1=CC=C(NCC2=CC=C(CC3=CC=CC=C3)C=C2)C=C1)C(=O)[O-]	REAL300018336910	0	51	-1.0	-47.84	416.29	14.17	-33.67
CC(CC1=CC=C(NC2CC(C3=CC=C(OC(F)(F)F)C=C3)C2)C=C1)C(=O)[O-]	REAL300018336911	0	49	-1.0	-48.68	403.54	11.41	-37.27
CC(CC1=CC=C(NCC2=CC(C3=CC=CC=C3)=CC=N2)C=C1)C(=O)[O-]	REAL300018336912	0	47	-1.0	-49.66	383.05	11.29	-38.37
CC(CC1=CC=C(NCC2=CN(C(C)(C)C)N=C2C(C)(C)C)C=C1)C(=O)[O-]	REAL300018336913	0	59	-1.0	-48.79	446.54	12.27	-36.52
CC1=CC=C(C2CCC(NC3=CC=C(CC(C)C(=O)[O-])C=C3)CC2)C=C1	REAL300018336914	0	54	-1.0	-47.31	413.12	13.41	-33.90
COC1=CC(C)=CC(OC)=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336915	0	49	-1.0	-49.98	391.23	9.10	-40.88
CC(CC1=CC=C(NCC2=CC=C(CF)C=C2)C=C1)C(=O)[O-]	REAL300018336916	0	41	-1.0	-47.93	341.54	10.54	-37.39
CC(CC1=CC=C(NCC2=CC=C(OC(F)(F)F)C(Cl)=C2)C=C1)C(=O)[O-]	REAL300018336917	0	42	-1.0	-47.59	375.54	10.05	-37.54
CC(CC1=CC=C(NCC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C=C1)C(=O)[O-]	REAL300018336918	0	48	-1.0	-49.65	402.03	12.53	-37.12
CC(CC1=CC=C(NCC2=CC=C3SC=CC3=C2)C=C1)C(=O)[O-]	REAL300018336919	0	41	-1.0	-48.19	351.24	11.10	-37.09
CC(CC1=CC=C(NCC2=CC=C(C3=CC=NC=C3)C=C2)C=C1)C(=O)[O-]	REAL300018336920	0	47	-1.0	-49.52	382.91	11.37	-38.15
CC(CC1=CN(C)N=C1)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336921	0	44	-1.0	-51.80	356.48	9.06	-42.74
CC1=CC=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C(F)(F)F	REAL300018336922	0	44	-1.0	-49.37	361.26	11.72	-37.65
CC(CC1=CC=C(NCC2=CC3=NNC=C3C=C2)C=C1)C(=O)[O-]	REAL300018336923	0	41	-1.0	-54.04	340.57	8.45	-45.59
CCC(C)C1=CC=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300018336924	0	50	-1.0	-46.29	392.18	12.30	-33.99
CC(CC1=CC=C(NC2CCC3(C2)CCOCC3)C=C1)C(=O)[O-]	REAL300018336925	0	49	-1.0	-47.44	365.09	9.19	-38.25
CC(CC1=CC=C(NCC2=NC=C(CC3=CC=CC=C3)N2C)C=C1)C(=O)[O-]	REAL300018336926	0	51	-1.0	-51.37	412.97	12.20	-39.17
CC(CC1=CC=C(NCC2=CC=CC3=C2CCCC3)C=C1)C(=O)[O-]	REAL300018336927	0	48	-1.0	-46.99	372.83	12.04	-34.95
CC(=CC1=CC(F)=CC(F)=C1)CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336928	0	45	-1.0	-47.66	374.81	11.64	-36.02
COC1=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=CC(Br)=C1F	REAL300018336929	0	42	-1.0	-49.44	370.23	9.75	-39.69
CC(CC1=CC=C(NCC2=CC=C(N3C=CN=N3)C=C2)C=C1)C(=O)[O-]	REAL300018336930	0	44	-1.0	-54.01	365.88	9.62	-44.39
CC1=C(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)C=CC2=CC=CC=C21	REAL300018336931	0	47	-1.0	-48.39	373.65	12.59	-35.80
CC(C)C1=NN(C(C)(C)C)C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336932	0	56	-1.0	-48.95	438.73	11.35	-37.60
CC(CC1=CC=C(NCC2=CC3=CC=CC=C3C(Br)=C2)C=C1)C(=O)[O-]	REAL300018336933	0	44	-1.0	-48.29	378.07	12.49	-35.80
COC1=C2C=CNC2=CC=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336934	0	46	-1.0	-51.37	374.81	9.09	-42.28
CC(CC1=CC=C(NCC2=CC=C(N3CCC(O)C3)C=C2)C=C1)C(=O)[O-]	REAL300018336935	0	51	-1.0	-48.89	401.10	6.71	-42.18
CCCN1N=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=C1C	REAL300018336936	0	47	-1.0	-49.84	379.14	9.59	-40.25
CC1=CC(CNC2=CC=C(CC(C)C(=O)[O-])C=C2)=CN=C1N1C=CC=N1	REAL300018336937	0	47	-1.0	-51.74	385.89	11.05	-40.69
CC(CC1=CC=C(NC2CCC2CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018336938	0	48	-1.0	-47.34	382.01	12.48	-34.86
CCCN1N=C(C)C=C1CNC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300018336939	0	47	-1.0	-48.87	379.44	9.54	-39.33
CC(CC1=CC=C(NCC2=CN(C)N=C2C2CCC2)C=C1)C(=O)[O-]	REAL300018336940	0	48	-1.0	-49.69	385.18	10.12	-39.57
CC(CC1=CC=C(NCC2=CN=C(C(C)(C)C)O2)C=C1)C(=O)[O-]	REAL300018336941	0	46	-1.0	-49.27	373.52	7.23	-42.04
COCC1=CC(NCC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)=CC(C(=O)[O-])=C1	REAL300018336942	0	42	-1.0	-55.70	384.09	7.75	-47.95
COCC1=CC(NC(C)CC2=CC=CC=C2SC)=CC(C(=O)[O-])=C1	REAL300018336943	0	46	-1.0	-57.76	384.83	9.80	-47.96
COCC1=CC(NCC2=CC(Cl)=CC3=C2OCC3)=CC(C(=O)[O-])=C1	REAL300018336944	0	41	-1.0	-55.49	361.11	7.69	-47.80
COCC1=CC(NCC(C)CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018336945	0	45	-1.0	-53.31	366.39	9.45	-43.86
COCC1=CC(NCC2=CC=C(OC3=CC=C(OC)C=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300018336946	0	51	-1.0	-54.87	426.82	9.50	-45.37
COCC1=CC(NCC2=CN(C)N=C2C2CCCCC2)=CC(C(=O)[O-])=C1	REAL300018336947	0	52	-1.0	-55.09	415.43	8.89	-46.20
COCC1=CC(NCC2=CN(CC3=CC=CN=C3)N=N2)=CC(C(=O)[O-])=C1	REAL300018336948	0	44	-1.0	-61.23	381.60	5.93	-55.30
CCC1CCCC(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C1	REAL300018336949	0	48	-1.0	-54.48	362.74	8.72	-45.76
COCC1=CC(NCC2=NC=C(C(C)C)S2)=CC(C(=O)[O-])=C1	REAL300018336950	0	41	-1.0	-53.59	357.16	6.70	-46.89
COCC1=CC(NC2CCC(C)(C)CC2C)=CC(C(=O)[O-])=C1	REAL300018336951	0	48	-1.0	-54.99	362.84	8.60	-46.39
COCC1=CC(NCC2=CC=C(OCC(F)(F)F)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300018336952	0	43	-1.0	-56.31	385.75	8.13	-48.18
COCC1=CC(NCC=CC2=CC=C(F)C=C2F)=CC(C(=O)[O-])=C1	REAL300018336953	0	40	-1.0	-55.44	351.56	8.76	-46.68
COCC1=CC(NC2CCC3=CC=CC=C3C2)=CC(C(=O)[O-])=C1	REAL300018336954	0	43	-1.0	-56.67	347.98	9.10	-47.57
CCCCCC(CCCCC)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018336955	0	56	-1.0	-55.85	428.55	10.95	-44.90
COCC1=CC(NC2CCC3=CC=C(OC)C=C3C2)=CC(C(=O)[O-])=C1	REAL300018336956	0	47	-1.0	-59.96	377.31	8.38	-51.58
COCC1=CC(NC(CCC2=CC=CC=C2)CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018336957	0	55	-1.0	-54.60	431.39	12.59	-42.01
CCC(CC1=CC=CS1)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018336958	0	42	-1.0	-54.86	350.16	8.35	-46.51
CCC(CC1=CC=C(C)C=C1)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018336959	0	48	-1.0	-56.51	379.29	10.00	-46.51
CCCC(CCC1=CC=CC=C1)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018336960	0	51	-1.0	-55.42	402.45	10.84	-44.58
COCC1=CC(NCC2=C(Br)C=CS2)=CC(C(=O)[O-])=C1	REAL300018336961	0	33	-1.0	-52.94	318.27	6.98	-45.96
COCC1=CC(NCC2=CC(Br)=CC3=C2OCC3)=CC(C(=O)[O-])=C1	REAL300018336962	0	41	-1.0	-55.46	365.67	7.79	-47.67
COCC1=CC(NC(C)CCC2=CC=C3OCOC3=C2)=CC(C(=O)[O-])=C1	REAL300018336963	0	48	-1.0	-58.12	395.93	8.40	-49.72
COCC1=CC(NC(C)CCC2=CC=C(O)C=C2)=CC(C(=O)[O-])=C1	REAL300018336964	0	46	-1.0	-55.94	380.89	6.89	-49.05
COCC1=CC(NC(C)CC2=CC=C(OC)C(OC)=C2)=CC(C(=O)[O-])=C1	REAL300018336965	0	50	-1.0	-59.94	405.63	8.17	-51.77
COCC1=CC(NC(C)CCC2=CC=C(OC(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300018336966	0	49	-1.0	-57.11	409.12	9.32	-47.79
COCC1=CC(NC(C)CCC2=CC=C(OC)C=C2)=CC(C(=O)[O-])=C1	REAL300018336967	0	49	-1.0	-56.04	399.37	9.04	-47.00
COCC1=CC(NC(C)CCC2=CC=CO2)=CC(C(=O)[O-])=C1	REAL300018336968	0	42	-1.0	-55.76	350.61	7.85	-47.91
COCC1=CC(NC(C)CC2=CC=C(F)C=C2)=CC(C(=O)[O-])=C1	REAL300018336969	0	42	-1.0	-56.79	353.29	9.03	-47.76
COCC1=CC(NC(C)CCN2C=CC=N2)=CC(C(=O)[O-])=C1	REAL300018336970	0	42	-1.0	-54.18	350.86	6.93	-47.25
COCC1=CC(NC(C)CC2=CC=C(Cl)C=C2)=CC(C(=O)[O-])=C1	REAL300018336971	0	42	-1.0	-56.04	363.61	9.49	-46.55
COCC1=CC(NC(C)CCC2=CC=C(F)C=C2)=CC(C(=O)[O-])=C1	REAL300018336972	0	45	-1.0	-54.77	376.27	9.81	-44.96
CC=CCOC1=CC=C(CCC(C)NC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1	REAL300018336973	0	56	-1.0	-55.83	455.83	11.41	-44.42
COCC1=CC(NC(C)CC2CCOCC2)=CC(C(=O)[O-])=C1	REAL300018336974	0	46	-1.0	-54.48	355.75	7.28	-47.20
COCC1=CC(NC(C)CCC2CCCCC2)=CC(C(=O)[O-])=C1	REAL300018336975	0	51	-1.0	-53.73	390.65	9.91	-43.82
COCC1=CC(NC(C)CCC2=CC=CC=C2F)=CC(C(=O)[O-])=C1	REAL300018336976	0	45	-1.0	-54.16	375.45	9.77	-44.39
COCC1=CC(NC2CCCC2CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018336977	0	49	-1.0	-54.25	392.67	10.74	-43.51
COCC1=CC(NC2CCCC2C2=CC=C(C)C=C2)=CC(C(=O)[O-])=C1	REAL300018336978	0	49	-1.0	-53.63	384.71	10.82	-42.81
COCC1=CC(NC(C)CC2=CC=C(C(F)(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300018336979	0	45	-1.0	-56.66	385.51	9.97	-46.69
COCC1=CC(NCCC2=CC=C(C(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300018336980	0	48	-1.0	-55.07	390.32	10.07	-45.00
COCC1=CC(NC2CCC(C(F)(F)F)CC2)=CC(C(=O)[O-])=C1	REAL300018336981	0	42	-1.0	-53.38	342.39	8.18	-45.20
COCC1=CC(NCC2=CN3C=C(C)C=CC3=N2)=CC(C(=O)[O-])=C1	REAL300018336983	0	42	-1.0	-59.26	356.96	8.52	-50.74
COCC1=CC(NCC2=CN=C(C3=CC=C(Cl)C=C3)S2)=CC(C(=O)[O-])=C1	REAL300018336984	0	42	-1.0	-52.41	390.35	8.91	-43.50
COCC1=CC(NCC2=C(F)C=CC=C2OC(F)(F)F)=CC(C(=O)[O-])=C1	REAL300018336985	0	40	-1.0	-56.28	358.56	7.24	-49.04
COCC1=CC(NCC2=CC=C3OC=CC3=C2)=CC(C(=O)[O-])=C1	REAL300018336986	0	39	-1.0	-54.92	335.98	7.69	-47.23
COCC1=CC(NCC2=NC=C(CN(C)C)S2)=CC(C(=O)[O-])=C1	REAL300018336987	0	43	-1.0	-53.60	370.45	4.05	-49.55
COCC1=CC(CNC2=CC(C(=O)[O-])=CC(COC)=C2)=NO1	REAL300018336988	0	39	-1.0	-55.99	339.18	4.55	-51.44
COCC1=CC(NCCC2=CC=C(Cl)C=C2)=CC(C(=O)[O-])=C1	REAL300018336989	0	39	-1.0	-54.85	346.83	8.66	-46.19
COCC1=CC(NCC2=CN(C(C)C)N=N2)=CC(C(=O)[O-])=C1	REAL300018336990	0	41	-1.0	-57.57	345.66	5.24	-52.33
COCC1=CC(NCC2=NOC(CN(C)C)=C2)=CC(C(=O)[O-])=C1	REAL300018336991	0	43	-1.0	-54.77	361.78	4.36	-50.41
COCC1=CC(NCC2=CN(C3=CC=CC=C3C)N=N2)=CC(C(=O)[O-])=C1	REAL300018336992	0	45	-1.0	-58.12	382.64	8.08	-50.04
COCC1=CC(NCC2=CC=CN=C2N(C)C)=CC(C(=O)[O-])=C1	REAL300018336993	0	43	-1.0	-54.77	359.82	6.16	-48.61
CCOC1CC(NC2=CC(COC)=CC(C(=O)[O-])=C2)C1SC	REAL300018336994	0	44	-1.0	-60.70	373.34	6.92	-53.78
COCCOCC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1	REAL300018336995	0	50	-1.0	-55.78	419.14	7.32	-48.46
COCC1=CC(NCC2=C(Cl)C=C(Cl)C=C2N(C)C)=CC(C(=O)[O-])=C1	REAL300018336996	0	44	-1.0	-53.29	392.88	8.25	-45.04
COCC1=CC(NCC2=CC=C(C3CCCC3)C=C2)=CC(C(=O)[O-])=C1	REAL300018336998	0	49	-1.0	-52.65	392.14	10.55	-42.10
COCC1=CC(NCC2=CC(F)=CC=C2OC)=CC(C(=O)[O-])=C1	REAL300018336999	0	40	-1.0	-55.26	343.43	6.77	-48.49
COCC1=CC(NC2CC(C)(C3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300018337000	0	46	-1.0	-54.21	368.04	9.58	-44.63
COCC1=CC(NCC2=CC=C(C)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300018337611	0	39	-1.0	-53.12	335.32	8.07	-45.05
COCC1=CC(NCC2=CC(Cl)=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300018337613	0	38	-1.0	-57.23	347.04	8.56	-48.67
COCC1=CC(NC2CC(C)(C)CC(C)(C)C2)=CC(C(=O)[O-])=C1	REAL300018337614	0	51	-1.0	-55.41	381.12	8.88	-46.53
COCC1=CC(NC2CCC3=CC(Br)=CC=C3C2)=CC(C(=O)[O-])=C1	REAL300018337615	0	43	-1.0	-55.15	369.19	9.71	-45.44
COCC1=CC(NC(C)CCC2=CNC3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300018337616	0	49	-1.0	-58.87	401.77	9.79	-49.08
COCC1=CC(NCC2=CC=C(OC)C(OC)=C2Cl)=CC(C(=O)[O-])=C1	REAL300018337617	0	44	-1.0	-56.11	384.97	7.11	-49.00
COCC1=CC(NCC2=CC=C(C3=CC=CS3)C=C2)=CC(C(=O)[O-])=C1	REAL300018337618	0	43	-1.0	-53.59	375.96	9.98	-43.61
COCC1=CC(NCC2=CC3=CC=CC=C3S2)=CC(C(=O)[O-])=C1	REAL300018337619	0	39	-1.0	-53.97	345.98	8.89	-45.08
COCC1=CC(NCC2=CC=C(OC(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300018337620	0	46	-1.0	-53.37	377.87	8.21	-45.16
CCCCCCCOC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1	REAL300018337621	0	58	-1.0	-52.95	467.44	11.51	-41.44
COCC1=CC(NCC(C)CC2=CC=C(C(C)(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300018337622	0	57	-1.0	-53.24	442.65	11.78	-41.46
COCC1=CC(NCC2=CC=C(F)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300018337623	0	39	-1.0	-51.90	335.31	8.06	-43.84
COCC1=CC(NCC2=C3NC=CC3=CC=C2)=CC(C(=O)[O-])=C1	REAL300018337624	0	40	-1.0	-54.05	339.95	7.36	-46.69
COCC1=CC(NCC2=CSC([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300018337625	0	35	-1.0	-54.59	328.64	7.15	-47.44
COCC1=CC(NCC2=CC=CC=C2N2CCOCC2)=CC(C(=O)[O-])=C1	REAL300018337626	0	49	-1.0	-55.35	395.22	6.77	-48.58
COCC1=CC(NCC2=CC=C(CC(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300018337627	0	48	-1.0	-52.86	389.79	10.05	-42.81
COCC1=CC(NCC2=CC=CC(C3=CC=C(C)C=C3)=C2)=CC(C(=O)[O-])=C1	REAL300018337628	0	49	-1.0	-54.68	404.21	11.44	-43.24
COCC1=CC(NCC2=CC(OC)=CC=C2Br)=CC(C(=O)[O-])=C1	REAL300018337629	0	40	-1.0	-54.78	356.31	7.23	-47.55
COCC1=CC(NCC2=CC=C(OC)C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300018337630	0	42	-1.0	-58.89	364.12	8.10	-50.79
COCC1=CC(NCC2=CC(Cl)=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300018337631	0	36	-1.0	-50.76	342.06	8.37	-42.39
COCC1=CC(NCC2=CC=CC(C3=CC=CC=C3C)=C2)=CC(C(=O)[O-])=C1	REAL300018337632	0	49	-1.0	-54.47	404.65	11.44	-43.03
COCC1=CC(NCC2=CC=CC(OC(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300018337633	0	40	-1.0	-54.95	347.85	6.94	-48.01
CCOC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1OCC	REAL300018337634	0	50	-1.0	-54.86	411.05	8.40	-46.46
COCC1=CC(NC2CCC(C(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300018337635	0	48	-1.0	-54.78	365.34	8.68	-46.10
COCC1=CC(NCC2=CC=C(Cl)C(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300018337636	0	39	-1.0	-52.34	360.49	8.77	-43.57
COCC1=CC(NCC2=CC=C(F)C=C2Br)=CC(C(=O)[O-])=C1	REAL300018337637	0	36	-1.0	-52.03	333.46	7.93	-44.10
COCC1=CC(NCC2=CC=C3OC(F)(F)OC3=C2)=CC(C(=O)[O-])=C1	REAL300018337638	0	39	-1.0	-52.72	348.20	6.46	-46.26
COCC1=CC(NCC2=CC=NC3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300018337639	0	41	-1.0	-53.89	346.75	7.59	-46.30
COCC1=CC(NCC2=CC=CC(OC(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300018337640	0	40	-1.0	-52.27	354.59	7.15	-45.12
COCC1=CC(NCC2=CC=C(S(C)(=O)=O)C=C2)=CC(C(=O)[O-])=C1	REAL300018337641	0	42	-1.0	-59.50	369.28	4.88	-54.62
COCC1=CC(NCC2=CC=C(C3=CC=CC=C3OC)C=C2)=CC(C(=O)[O-])=C1	REAL300018337642	0	50	-1.0	-55.78	416.80	10.42	-45.36
COCC1=CC(NC(C)CCOCC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018337643	0	49	-1.0	-54.78	403.89	9.02	-45.76
COCC1=CC(NC2CC(C3=CC=C(Cl)C=C3)C2)=CC(C(=O)[O-])=C1	REAL300018337644	0	43	-1.0	-53.66	368.48	9.77	-43.89
COCC1=CC(NCC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300018337645	0	46	-1.0	-53.66	399.53	11.30	-42.36
COCC1=CC(NCC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)=CC(C(=O)[O-])=C1	REAL300018337646	0	46	-1.0	-54.18	399.54	11.29	-42.89
COCC1=CC(NCC2=CC=C(OC)C3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300018337647	0	46	-1.0	-54.69	379.78	8.82	-45.87
CCC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)S1	REAL300018337648	0	39	-1.0	-52.61	342.19	8.03	-44.58
COCC1=CC(NCC2=NC3=CC=CC=C3N2C)=CC(C(=O)[O-])=C1	REAL300018337649	0	42	-1.0	-56.13	355.01	7.69	-48.44
COCC1=CC(NCC2=CC=C3OCCC3=C2)=CC(C(=O)[O-])=C1	REAL300018337650	0	41	-1.0	-53.81	344.49	7.19	-46.62
COCC1=CC(NCC2=CSC(Br)=C2)=CC(C(=O)[O-])=C1	REAL300018337651	0	33	-1.0	-51.39	320.25	7.02	-44.37
COCC1=CC(NCC2=CC=CC=C2OCC2=CC=NC=C2)=CC(C(=O)[O-])=C1	REAL300018337652	0	49	-1.0	-59.63	413.68	8.91	-50.72
COCC1=CC(NCC2=CC=CC=C2OCC2=CC=CN=C2)=CC(C(=O)[O-])=C1	REAL300018337653	0	49	-1.0	-60.38	413.64	8.89	-51.49
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COCC1=CC(NCC2=CC=CC(NS(C)(=O)=O)=C2)=CC(C(=O)[O-])=C1	REAL300018337655	0	44	-1.0	-57.93	382.18	4.07	-53.86
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COCC1=CC(NCC2=CN(C3=CC=CC=C3)N=N2)=CC(C(=O)[O-])=C1	REAL300018337768	0	42	-1.0	-58.36	361.50	7.18	-51.18
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CCOC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300018337870	0	46	-1.0	-53.32	377.07	8.31	-45.01
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COCC1=CC(NC2CCC(C3=CC=C(F)C=C3)C2)=CC(C(=O)[O-])=C1	REAL300018337874	0	46	-1.0	-54.45	375.12	9.97	-44.48
COCC1=CSC(CNC2=CC(C(=O)[O-])=CC(COC)=C2)=C1	REAL300018337875	0	40	-1.0	-54.04	354.12	6.18	-47.86
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COCC1=CC(NCC2=NC=CN2C(C)C)=CC(C(=O)[O-])=C1	REAL300018337877	0	42	-1.0	-55.38	349.45	7.14	-48.24
COCC1=CC(NCC2=CC=CC([N+](=O)[O-])=C2C)=CC(C(=O)[O-])=C1	REAL300018337878	0	41	-1.0	-54.62	348.40	8.58	-46.04
COCC1=CC(NCC2=CC=C(Br)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300018337879	0	39	-1.0	-51.60	348.08	8.55	-43.05
COCC1=CC(NCC2=CC=C(Cl)C(OC)=C2)=CC(C(=O)[O-])=C1	REAL300018337880	0	40	-1.0	-52.59	354.13	7.21	-45.38
COCC1=CC(NCC2=C(C)C=CC=C2OC)=CC(C(=O)[O-])=C1	REAL300018337881	0	43	-1.0	-56.26	354.39	7.26	-49.00
COCC1=CC(NCC2=C3OC=CC3=CC=C2)=CC(C(=O)[O-])=C1	REAL300018337882	0	39	-1.0	-56.74	335.94	7.68	-49.06
COCC1=CC(NCC2=NN(C3=CC=CC=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300018337883	0	43	-1.0	-57.92	367.48	8.47	-49.45
COCC1=CC(NCC2=CN=C(C(F)(F)F)S2)=CC(C(=O)[O-])=C1	REAL300018337884	0	35	-1.0	-50.94	334.66	5.77	-45.17
CCC1=NN(C)C=C1CNC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018337885	0	42	-1.0	-55.14	354.21	6.45	-48.69
COCC1=CC(NCC2=NN3CCCCC3=C2)=CC(C(=O)[O-])=C1	REAL300018337886	0	43	-1.0	-57.04	353.19	6.68	-50.36
COCC1=CC(NCC2=CN=C(OC)S2)=CC(C(=O)[O-])=C1	REAL300018337887	0	36	-1.0	-52.49	326.11	2.98	-49.51
COCC1=CC(NC2CC3=CC=C(Cl)C=C3C2)=CC(C(=O)[O-])=C1	REAL300018337888	0	40	-1.0	-53.48	347.81	9.10	-44.38
COCC1=CC(NCC2=CC3=C(C=N2)OCCO3)=CC(C(=O)[O-])=C1	REAL300018337889	0	41	-1.0	-55.95	348.03	4.70	-51.25
COCC1=CC(NCC2=CN=C3C=CC(Cl)=CN23)=CC(C(=O)[O-])=C1	REAL300018337890	0	39	-1.0	-53.65	352.16	8.29	-45.36
COCC1=CC(NCC2=CN=C3C(C)=CC=CN23)=CC(C(=O)[O-])=C1	REAL300018337891	0	42	-1.0	-55.79	356.88	8.38	-47.41
COCC1=CC(NCC2=CN=C(Cl)N2C)=CC(C(=O)[O-])=C1	REAL300018337892	0	36	-1.0	-52.07	324.93	6.22	-45.85
COCC1=CC(NCC2=CN=C(Br)N2C)=CC(C(=O)[O-])=C1	REAL300018337893	0	36	-1.0	-52.20	329.22	6.24	-45.96
COCC1=CC(NCC2=CN(C3=CC=C(F)C=C3)N=N2)=CC(C(=O)[O-])=C1	REAL300018337894	0	42	-1.0	-56.72	367.91	7.25	-49.47
COCC1=CC(NCC2=CC(C(F)(F)F)=NN2)=CC(C(=O)[O-])=C1	REAL300018337895	0	36	-1.0	-51.24	329.66	4.69	-46.55
COCC1=CC(NCC2=CC3=C(F)C=CC=C3N2)=CC(C(=O)[O-])=C1	REAL300018337896	0	40	-1.0	-54.61	346.99	7.36	-47.25
COCC1=CC(NCC2=CC3=CC=C(F)C=C3N2)=CC(C(=O)[O-])=C1	REAL300018337897	0	40	-1.0	-52.17	346.89	7.35	-44.82
CCOC1=CC=CC(CNC2=CC(COC)=CC(C(=O)[O-])=C2)=N1	REAL300018337898	0	42	-1.0	-54.74	357.62	4.94	-49.80
COCC1=CC(NCC2=CC=CC(Cl)=C2C)=CC(C(=O)[O-])=C1	REAL300018337899	0	39	-1.0	-52.16	339.95	8.32	-43.84
COCC1=CC(NCC2=CC3=CC=NC=C3S2)=CC(C(=O)[O-])=C1	REAL300018337900	0	38	-1.0	-53.24	340.72	7.11	-46.13
COCC1=CC(NCC2=CN=C3C=CC=C(C)N23)=CC(C(=O)[O-])=C1	REAL300018337901	0	42	-1.0	-55.78	348.28	8.39	-47.39
COCC1=CC(NC(C)CCC2=NNC3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300018337902	0	48	-1.0	-56.11	396.96	8.33	-47.78
C=CCCCCCC(C)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018337903	0	48	-1.0	-54.29	387.25	9.63	-44.66
COCC1=CC(NCC2=CC(C)=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300018337904	0	39	-1.0	-52.17	346.74	8.53	-43.64
COCC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1	REAL300018337905	0	43	-1.0	-53.77	363.66	7.09	-46.68
COCC1=CC(NC(COC)CC(C)(C)C)=CC(C(=O)[O-])=C1	REAL300018337906	0	48	-1.0	-52.56	372.10	7.36	-45.20
COCC1=CC(NCC2=CC3=CC=CC(F)=C3N=C2)=CC(C(=O)[O-])=C1	REAL300018337907	0	41	-1.0	-57.00	356.01	7.80	-49.20
COCC1=CC(NCC2=CC3=CC=CN=C3C(C)=C2)=CC(C(=O)[O-])=C1	REAL300018337908	0	44	-1.0	-55.35	369.83	8.56	-46.79
COCC1=CC(NC2CCCC(C(C)C)C2)=CC(C(=O)[O-])=C1	REAL300018337909	0	48	-1.0	-54.61	365.27	8.66	-45.95
CCCOC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1C	REAL300018337910	0	49	-1.0	-53.21	401.53	9.13	-44.08
COCC1=CC(NCC2=NC=C(C)C(OC)=C2C)=CC(C(=O)[O-])=C1	REAL300018337911	0	45	-1.0	-55.43	371.06	6.14	-49.29
COCC1=CC(NCC2=CC3=CC=CC=C3C=C2OC)=CC(C(=O)[O-])=C1	REAL300018337912	0	46	-1.0	-56.23	382.85	8.97	-47.26
COCC1=CC(NC2CCCCC23CCCC3)=CC(C(=O)[O-])=C1	REAL300018337913	0	49	-1.0	-55.09	362.53	9.37	-45.72
COCC1=CC(NCC2=CC=C(S(C)(=O)=O)S2)=CC(C(=O)[O-])=C1	REAL300018337914	0	39	-1.0	-59.02	361.69	4.03	-54.99
COCC1=CC(NCC2=C3N=CC(Br)=CN3N=C2)=CC(C(=O)[O-])=C1	REAL300018337915	0	38	-1.0	-56.49	352.50	6.89	-49.60
COCC1=CC(NCC2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)=CC(C(=O)[O-])=C1	REAL300018337916	0	55	-1.0	-54.14	444.95	11.57	-42.57
COCC1=CC(NCC2=CC=CC(F)=C2N)=CC(C(=O)[O-])=C1	REAL300018337917	0	38	-1.0	-51.96	325.95	5.39	-46.57
CCC(C)CN(C)C1=CC=C(F)C=C1CNC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018337919	0	56	-1.0	-53.39	433.93	10.87	-42.52
CCCCCN(C)C1=CC=C(F)C=C1CNC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018337920	0	56	-1.0	-53.84	451.53	10.32	-43.52
COCC1=CC(NCC2=CC=C(C(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300018337921	0	39	-1.0	-53.74	340.79	8.23	-45.51
COCC1=CC(NCC2=CC3=CC(Cl)=CN=C3O2)=CC(C(=O)[O-])=C1	REAL300018337922	0	38	-1.0	-54.13	348.01	5.32	-48.81
COCC1=CC(NCC2=CC=CC3=C2CCC3)=CC(C(=O)[O-])=C1	REAL300018337923	0	43	-1.0	-53.59	353.49	9.22	-44.37
COCC1=CC(NCC2=CN(C)N=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300018337924	0	38	-1.0	-61.43	338.44	6.71	-54.72
COCC1=CC(NCC2=NC(Cl)=CS2)=CC(C(=O)[O-])=C1	REAL300018337925	0	32	-1.0	-53.00	310.36	4.91	-48.09
COCC1=CC(NCC2=CC(OC)=NS2)=CC(C(=O)[O-])=C1	REAL300018337926	0	36	-1.0	-51.75	325.91	3.28	-48.47
COCC1=CC(NCC2=CN=C3C=CC(Br)=CN23)=CC(C(=O)[O-])=C1	REAL300018337927	0	39	-1.0	-53.32	356.72	8.39	-44.93
COCC1=CC(NCC2=NC=CC3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300018337928	0	41	-1.0	-56.16	346.32	7.65	-48.51
COCC1=CC(NCC2=C(Cl)C=CC=C2OC)=CC(C(=O)[O-])=C1	REAL300018337929	0	40	-1.0	-57.73	350.81	7.13	-50.60
COCC1=CC(NCC2=CN=C(C)N2C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018337930	0	46	-1.0	-54.84	387.62	9.63	-45.21
CCN(C1=CC=CC=C1)C1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1	REAL300018337931	0	54	-1.0	-53.75	443.43	12.13	-41.62
CCCN1N=C(C)C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)=C1C	REAL300018337932	0	48	-1.0	-54.92	393.80	7.75	-47.17
CCN(CC)C1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1F	REAL300018337933	0	50	-1.0	-53.33	407.87	8.42	-44.91
CCOC1CC(NC2=CC(COC)=CC(C(=O)[O-])=C2)C12CCCC2	REAL300018337934	0	50	-1.0	-52.43	388.98	8.36	-44.07
COCC1=CC(NCC2=CC(OC)=C(OC)C=C2SC)=CC(C(=O)[O-])=C1	REAL300018337935	0	48	-1.0	-56.98	404.93	7.46	-49.52
COCC1=CC(NC2CCN(C3=CC=C(N(C)C)C=C3)CC2)=CC(C(=O)[O-])=C1	REAL300018337936	0	56	-1.0	-56.41	429.47	8.26	-48.15
COCC1=CC(NC(C)CCC2=CC=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300018337937	0	47	-1.0	-57.10	385.90	10.17	-46.93
COCC1=CC(NC2CCCC23CCCC3)=CC(C(=O)[O-])=C1	REAL300018337938	0	46	-1.0	-56.49	346.54	9.06	-47.43
CCCC(CNC1=CC(COC)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300018337939	0	48	-1.0	-54.76	386.97	10.15	-44.61
COCC1=CC(NC2CC(C)CC(C3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300018337940	0	52	-1.0	-54.22	403.19	11.30	-42.92
COCC1=CC(NCC2=CN=C(C3CC3)O2)=CC(C(=O)[O-])=C1	REAL300018337941	0	39	-1.0	-53.40	337.31	4.66	-48.74
COCC1=CC(NCC2=CC(F)=CC=C2OC(C)C)=CC(C(=O)[O-])=C1	REAL300018337942	0	46	-1.0	-55.17	383.20	8.32	-46.85
COCC1=CC(NCC2=NC3=CC=C(F)C=C3S2)=CC(C(=O)[O-])=C1	REAL300018337943	0	38	-1.0	-53.00	346.68	6.87	-46.13
COCC1=CC(NCC2=CC(F)=CC=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300018337944	0	40	-1.0	-54.01	353.18	7.04	-46.97
COCC1=CC(NCC2=CC3=CC=CC=C3C(OC)=C2)=CC(C(=O)[O-])=C1	REAL300018337945	0	46	-1.0	-54.56	383.07	8.97	-45.59
CCOC1=CN=CC(CNC2=CC(COC)=CC(C(=O)[O-])=C2)=C1	REAL300018337946	0	42	-1.0	-53.59	354.88	5.76	-47.83
CCOC1=CC(F)=CC(CNC2=CC(COC)=CC(C(=O)[O-])=C2)=C1	REAL300018337947	0	43	-1.0	-52.79	366.36	7.65	-45.14
COCC1=CC(NCC(C)C2=CC=C(OC)C=C2)=CC(C(=O)[O-])=C1	REAL300018337948	0	46	-1.0	-56.01	375.17	8.00	-48.01
COCC1=CC(NCC2=CC(C3CC3)=NN2C)=CC(C(=O)[O-])=C1	REAL300018337949	0	43	-1.0	-52.62	360.92	7.00	-45.62
COCC1=CC(NC2CCC3(CCCCC3)CC2)=CC(C(=O)[O-])=C1	REAL300018337951	0	52	-1.0	-54.74	378.02	9.43	-45.31
COCC1=CC(NC(C)C(C)C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018337952	0	45	-1.0	-55.35	363.10	9.26	-46.09
COCC1=CC(NC2CC3=C(C2)C2=CC=CC=C2N3)=CC(C(=O)[O-])=C1	REAL300018337953	0	44	-1.0	-55.86	362.77	8.60	-47.26
COCC1=CC(NCC2=CC=CC3=C(OC)C=CC=C23)=CC(C(=O)[O-])=C1	REAL300018337955	0	46	-1.0	-54.74	379.80	8.82	-45.92
COCC1=CC(NCC2=CC=NN2CC2CC2)=CC(C(=O)[O-])=C1	REAL300018337956	0	43	-1.0	-51.82	362.68	7.35	-44.47
COCC1=CC(NC(C)CCC2=CC=CN=C2)=CC(C(=O)[O-])=C1	REAL300018337957	0	44	-1.0	-55.45	364.70	7.96	-47.49
COCC1=CC(NCC2=CC=CC(C(C)C)=C2)=CC(C(=O)[O-])=C1	REAL300018337958	0	45	-1.0	-52.96	368.82	9.28	-43.68
COCC1=CC(NCC2=CC=C(S(N)(=O)=O)O2)=CC(C(=O)[O-])=C1	REAL300018337959	0	38	-1.0	-58.45	345.96	0.50	-57.95
COCC1=CC(NC2CC=C(C3=CC=C(F)C=C3)CC2)=CC(C(=O)[O-])=C1	REAL300018337960	0	47	-1.0	-55.73	388.87	10.56	-45.17
COCC1=CC(NC2CCC3(CCOCC3)CC2)=CC(C(=O)[O-])=C1	REAL300018337961	0	50	-1.0	-55.20	369.62	7.09	-48.11
COCC1=CC(NCC2=CN=CC(OC)=C2C)=CC(C(=O)[O-])=C1	REAL300018337962	0	42	-1.0	-53.57	349.43	5.60	-47.97
COCC1=CC(NCC2=CC=CC(Cl)=C2N)=CC(C(=O)[O-])=C1	REAL300018337963	0	38	-1.0	-51.51	334.87	5.86	-45.65
COCC1=CC(NCCC2=CC=C(F)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300018337964	0	39	-1.0	-55.64	350.25	8.62	-47.02
COCC1=CC(NCC2=CC3=CN=CC=C3O2)=CC(C(=O)[O-])=C1	REAL300018337965	0	38	-1.0	-53.68	331.20	6.14	-47.54
COCC1=CC(NCC2=CC=C(C(F)(F)F)S2)=CC(C(=O)[O-])=C1	REAL300018337966	0	36	-1.0	-51.43	339.46	7.65	-43.78
COCC1=CC(NCC2=CC3=C(C)C=CC=C3N2)=CC(C(=O)[O-])=C1	REAL300018337967	0	43	-1.0	-53.11	361.43	7.93	-45.18
CCOC1CCC(NC2=CC(COC)=CC(C(=O)[O-])=C2)CC1	REAL300018337968	0	46	-1.0	-53.43	359.32	7.21	-46.22
COCC1=CC(NCC2=CSC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300018337969	0	36	-1.0	-51.87	339.21	7.49	-44.38
CCCOC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300018337970	0	49	-1.0	-53.05	398.55	9.12	-43.93
COCC1=CC(NCC2=CC=C(OC)C(OC3CC3)=C2)=CC(C(=O)[O-])=C1	REAL300018337971	0	48	-1.0	-55.27	398.38	8.23	-47.04
COCC1=CC(NC2CCC3(CCCC3)CC2)=CC(C(=O)[O-])=C1	REAL300018337972	0	49	-1.0	-54.81	367.40	9.10	-45.71
COCC1=CC(NCC2=CC=C(C(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300018337973	0	38	-1.0	-52.40	338.01	6.44	-45.96
COCC1=CC(NC2CCC3=CC=CC=C3CC2)=CC(C(=O)[O-])=C1	REAL300018337974	0	46	-1.0	-54.75	361.13	9.50	-45.25
COCC1=CC(NCC2=NC=C(Br)S2)=CC(C(=O)[O-])=C1	REAL300018337975	0	32	-1.0	-51.08	315.08	5.22	-45.86
CCC1(C)CCC(NC2=CC(COC)=CC(C(=O)[O-])=C2)CC1	REAL300018337976	0	48	-1.0	-53.82	353.22	8.62	-45.20
COCC1=CC(NC2CCCC3=CC=CC=C3C2)=CC(C(=O)[O-])=C1	REAL300018337977	0	46	-1.0	-59.74	363.24	9.61	-50.13
COCC1=CC(NCC2=CN(C)N=C2C(F)F)=CC(C(=O)[O-])=C1	REAL300018337978	0	39	-1.0	-56.46	341.85	6.15	-50.31
COCC1=CC(NC(C)C2CCCCCC2)=CC(C(=O)[O-])=C1	REAL300018337979	0	48	-1.0	-53.94	357.82	8.86	-45.08
COCC1=CC(NC(C)C2=CC=C(C3=CC=CC=C3)C=N2)=CC(C(=O)[O-])=C1	REAL300018337980	0	48	-1.0	-54.23	395.42	9.92	-44.31
CCC1(CC)CCC(NC2=CC(COC)=CC(C(=O)[O-])=C2)CC1	REAL300018337981	0	51	-1.0	-54.87	372.06	8.81	-46.06
COCC1=CC(NCC2=CC=CC3=C2CCOC3)=CC(C(=O)[O-])=C1	REAL300018337982	0	44	-1.0	-53.77	358.44	7.27	-46.50
COCC1=CC(NCC2CC2C2=CC=C(F)C=C2)=CC(C(=O)[O-])=C1	REAL300018337983	0	43	-1.0	-54.04	364.05	9.56	-44.48
COCC1=CC(NC(C)CC2=COC3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300018337984	0	45	-1.0	-58.73	372.30	9.33	-49.40
COCC1=CC(NCC2=CC=CC(S(N)(=O)=O)=C2)=CC(C(=O)[O-])=C1	REAL300018337985	0	41	-1.0	-59.43	362.77	2.31	-57.12
CCCN1N=CC=C1CNC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018337986	0	42	-1.0	-51.83	351.74	6.58	-45.25
COCC1=CC(NCC2=CC3=CC=C(C)C=C3N2)=CC(C(=O)[O-])=C1	REAL300018337987	0	43	-1.0	-53.15	361.85	7.94	-45.21
COCC1=CC(NCC2=C3CCCN3N=C2)=CC(C(=O)[O-])=C1	REAL300018337988	0	40	-1.0	-56.58	335.12	5.96	-50.62
COCC1=CC(NCC2=NN3CCCC3=C2)=CC(C(=O)[O-])=C1	REAL300018337989	0	40	-1.0	-58.39	335.13	5.86	-52.53
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COC1=CC=CC(C(NCC2=CSC(C3=CC=CC=N3)=N2)C(=O)[O-])=C1	REAL300018346668	0	41	-1.0	-62.60	364.78	6.04	-56.56
COC1=CC=CC(C(NCC2=CC(Br)=CN=C2OC)C(=O)[O-])=C1	REAL300018346669	1	39	-1.0	-49.62	351.78	4.47	-45.15
COC1=CC=CC(C(NCC2=CC=CN=C2OC)C(=O)[O-])=C1	REAL300018346670	1	39	-1.0	-50.58	330.41	3.90	-46.68
COC1=CC=CC(C(NCC2=CC=C(Br)C=N2)C(=O)[O-])=C1	REAL300018346671	1	35	-1.0	-50.56	320.66	5.92	-44.64
COC1=CC=CC(C(NCC2=CN=C(N3CCOCC3)S2)C(=O)[O-])=C1	REAL300018346672	0	45	-1.0	-48.82	378.08	4.46	-44.36
COC1=CC=CC(C(NCC2=CC=CC3=C2OCCO3)C(=O)[O-])=C1	REAL300018346675	1	42	-1.0	-57.39	349.08	6.41	-50.98
COC1=CC=CC(C(NCC2=CC=CC3=C2OCCCO3)C(=O)[O-])=C1	REAL300018346676	1	45	-1.0	-55.54	366.17	7.12	-48.42
COC1=CC=CC(C(NCC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])=C1	REAL300018346680	1	44	-1.0	-48.31	372.61	8.40	-39.91
COC1=CC=CC(C(NCC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])=C1	REAL300018346681	1	47	-1.0	-51.41	384.08	5.57	-45.84
COC1=CC=CC(C(NCC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])=C1	REAL300018346684	0	43	-1.0	-53.97	372.01	9.75	-44.22
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300018346688	0	38	-1.0	-51.82	333.91	5.93	-45.89
COC1=CC=CC(C(NCC2=CN=C(N(C)C)S2)C(=O)[O-])=C1	REAL300018346690	0	40	-1.0	-51.04	346.77	6.12	-44.92
COC1=CC=CC(C(NCC2=CSC(C3=CC=C(C)C=C3)=N2)C(=O)[O-])=C1	REAL300018346692	0	45	-1.0	-51.17	390.78	8.58	-42.59
COC1=CC=CC(C(NCC2=CSC(C(C)C)=N2)C(=O)[O-])=C1	REAL300018346693	0	41	-1.0	-58.07	353.69	6.23	-51.84
COC1=CC=CC(C(NCC2=CSC(C3CC3)=N2)C(=O)[O-])=C1	REAL300018346694	0	39	-1.0	-52.70	342.17	6.46	-46.24
COC1=CC=CC(C(NCC2=CSC(COC3=CC=CC=C3)=N2)C(=O)[O-])=C1	REAL300018346696	0	46	-1.0	-60.83	402.14	7.55	-53.28
CCC1=NC(CNC(C(=O)[O-])C2=CC=CC(OC)=C2)=CS1	REAL300018346697	0	38	-1.0	-57.52	333.75	5.72	-51.80
COC1=CC=CC(C(NCC2=CSC(COC3=CC=C(C)C=C3)=N2)C(=O)[O-])=C1	REAL300018346704	0	49	-1.0	-61.11	423.76	8.17	-52.94
COC1=CC=CC(C(NCC2=CSC(C(C)(C)C)=N2)C(=O)[O-])=C1	REAL300018346706	0	44	-1.0	-50.05	371.08	6.70	-43.35
COC1=CC=CC(C(NCC2=CSC(C3=CSC=C3)=N2)C(=O)[O-])=C1	REAL300018346707	0	39	-1.0	-58.14	360.50	6.92	-51.22
COC1=CC=CC(C(NCC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])=C1	REAL300018346708	0	43	-1.0	-52.11	379.98	10.07	-42.04
COC1=CC=CC(C(NCC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])=C1	REAL300018346711	0	39	-1.0	-60.61	349.64	8.20	-52.41
COC1=CC=CC(C(NCC2=CN=C(C(C)(C)C)S2)C(=O)[O-])=C1	REAL300018346712	0	44	-1.0	-52.48	372.81	6.95	-45.53
COC1=CC=CC(C(NCC2=C(C)SC(C)=C2)C(=O)[O-])=C1	REAL300018346714	0	39	-1.0	-50.78	336.52	7.67	-43.11
COC1=CC=CC(C(NCC2=CC=C(C3=CC=C(C)C=C3)S2)C(=O)[O-])=C1	REAL300018346715	0	46	-1.0	-52.59	395.22	10.63	-41.96
COC1=CC=CC(C(NCC2=CC(Cl)=CC(Cl)=C2OC)C(=O)[O-])=C1	REAL300018346716	1	40	-1.0	-50.05	368.31	7.63	-42.42
COC1=CC=CC(C(NCC2=CC(C3=CC=CC=C3)=NN2)C(=O)[O-])=C1	REAL300018346728	0	43	-1.0	-48.34	363.92	7.05	-41.29
COC1=CC=CC(C(NCC2=CN(C3=CC=CC=C3)N=N2)C(=O)[O-])=C1	REAL300018346730	0	42	-1.0	-58.12	357.42	6.95	-51.17
COC1=CC=CC(C(NCC2=NC(C3=CC=CC=C3)=CS2)C(=O)[O-])=C1	REAL300018346731	0	42	-1.0	-59.60	369.05	7.93	-51.67
COC1=CC=CC(C(NCC2=CN=C(C3=CC=CC=C3)S2)C(=O)[O-])=C1	REAL300018346734	0	42	-1.0	-53.35	370.99	8.19	-45.16
COC1=CC=CC(C(NCC2=CC(OC)=CC3=C2OC(C)C3)C(=O)[O-])=C1	REAL300018346735	1	48	-1.0	-60.02	392.41	7.05	-52.97
COC1=CC=CC(C(NCC2=NN(C)C3=CC=CC=C23)C(=O)[O-])=C1	REAL300018346736	0	42	-1.0	-52.80	353.40	7.03	-45.77
COC1=CC=CC(C(NCC2=NC=CN2CC(F)(F)F)C(=O)[O-])=C1	REAL300018346739	0	39	-1.0	-60.17	343.14	6.68	-53.49
COC1=CC=CC(C(NCC2=CSC(C3=CC=C4OCOC4=C3)=N2)C(=O)[O-])=C1	REAL300018346742	0	45	-1.0	-57.23	395.51	6.66	-50.57
COC1=CC=CC(C(NCC2=COC(C3=CC=CC=C3)=N2)C(=O)[O-])=C1	REAL300018346744	0	42	-1.0	-53.24	362.61	5.59	-47.65
COC1=CC=CC(C(NCC2=CSC(C3=CC=CS3)=N2)C(=O)[O-])=C1	REAL300018346745	0	39	-1.0	-53.25	362.18	7.07	-46.18
COC1=CC=CC(C(NCC2=CC=C(Br)C=C2Cl)C(=O)[O-])=C1	REAL300018346748	1	36	-1.0	-50.45	341.67	8.21	-42.24
COC1=CC=CC(C(NCC2=CN=C(N(C)C)N2C)C(=O)[O-])=C1	REAL300018346750	0	44	-1.0	-53.43	364.61	6.24	-47.19
COC1=CC=CC(C(NCC2=NC(C3=CC=CC=C3)=CN2)C(=O)[O-])=C1	REAL300018346751	0	43	-1.0	-51.12	363.45	7.43	-43.69
COC1=CC=CC(C(NCC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)C(=O)[O-])=C1	REAL300018346757	0	44	-1.0	-55.78	398.97	8.64	-47.14
COC1=CC=CC(C(NCC2=CC3=C(C=C2OC)OCO3)C(=O)[O-])=C1	REAL300018346762	1	43	-1.0	-55.20	360.04	5.25	-49.95
COC1=CC=CC(C(NCC2=CC(OC)=C(OC)C=C2Cl)C(=O)[O-])=C1	REAL300018346763	1	44	-1.0	-52.73	376.68	6.84	-45.89
COC1=C(CNC(C(=O)[O-])C2=CC(OC)=CC=C2)SC=C1	REAL300018346764	0	37	-1.0	-54.02	324.51	5.55	-48.47
COC1=CC=CC(C(NCC2=CC=CC3=C2OC(C)(C)C3)C(=O)[O-])=C1	REAL300018346769	1	47	-1.0	-54.21	381.69	8.36	-45.85
COC1=CC=CC(C(NCC2=NC3=C(CCCC3)S2)C(=O)[O-])=C1	REAL300018346770	0	42	-1.0	-57.10	354.24	6.97	-50.13
COC1=CC=CC(C(NCC2=CC=NC=C2Br)C(=O)[O-])=C1	REAL300018346771	0	35	-1.0	-49.68	316.92	5.99	-43.69
COC1=CC=CC(C(NCC2=CC=NC=C2Cl)C(=O)[O-])=C1	REAL300018346772	1	35	-1.0	-49.70	313.30	5.89	-43.81
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=CC(OC)=C2)C=N1	REAL300018346775	1	40	-1.0	-46.78	337.47	5.71	-41.07
COC1=CC=CC(C(NCC2=CC(C)=C(Br)S2)C(=O)[O-])=C1	REAL300018346778	0	36	-1.0	-45.38	336.04	7.55	-37.83
COC1=CC=CC(C(NCC2=CC3=CC(Br)=CC=C3O2)C(=O)[O-])=C1	REAL300018346779	0	39	-1.0	-49.31	354.89	8.36	-40.95
COC1=CC=CC(C(NCC2=CN=C3CCCN23)C(=O)[O-])=C1	REAL300018346780	0	40	-1.0	-57.61	331.71	6.84	-50.77
COC1=CC=CC(C(NCC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])=C1	REAL300018346784	1	46	-1.0	-46.64	375.08	7.07	-39.57
COC1=CC=CC(C(NCC2=CC=C(C)C=C2Cl)C(=O)[O-])=C1	REAL300018346786	1	39	-1.0	-49.19	340.33	8.19	-41.00
COC1=CC=CC(C(NCC2=CC=C([N+](=O)[O-])C(Cl)=C2)C(=O)[O-])=C1	REAL300018346787	1	38	-1.0	-47.04	346.64	8.22	-38.82
COC1=CC=CC(C(NCC2=CN=C(C3=CC=C(C)C=C3)S2)C(=O)[O-])=C1	REAL300018346791	0	45	-1.0	-52.85	392.15	8.92	-43.93
COC1=CC=CC(C(NCC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])=C1	REAL300018346793	1	41	-1.0	-56.91	356.93	8.05	-48.86
COC1=CC=CC(C(NCC2=CC=C([N+](=O)[O-])C=C2Cl)C(=O)[O-])=C1	REAL300018346795	0	38	-1.0	-43.86	347.14	8.20	-35.66
COC1=CC=CC(C(NCC2=CC=C(C3=C(F)C=CC=C3F)O2)C(=O)[O-])=C1	REAL300018346796	0	43	-1.0	-57.04	379.26	9.16	-47.88
COC1=CC=CC(C(NCC2=CC=C(C3=CC=C(F)C=C3C)O2)C(=O)[O-])=C1	REAL300018346797	0	46	-1.0	-53.89	391.81	9.84	-44.05
CCC1=CC=C(C2=CC=C(CNC(C(=O)[O-])C3=CC=CC(OC)=C3)O2)C=C1	REAL300018346798	0	49	-1.0	-53.27	407.64	10.45	-42.82
COCC1=CC=C(CNC(C(=O)[O-])C2=CC=CC(OC)=C2)O1	REAL300018346805	0	40	-1.0	-52.32	342.05	5.24	-47.08
COC1=CC=CC(C(NCC2=CC=C(C)C=C2OC)C(=O)[O-])=C1	REAL300018346811	1	43	-1.0	-57.07	355.56	7.23	-49.84
COC1=CC=CC(C(NCC2=CC(Cl)=CC(Cl)=C2N)C(=O)[O-])=C1	REAL300018346812	1	38	-1.0	-44.70	347.39	6.15	-38.55
COCC1=CSC(CNC(C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018346814	0	40	-1.0	-53.29	351.49	6.00	-47.29
CCCC1=CC=C(CNC(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300018346815	0	42	-1.0	-52.85	361.02	8.64	-44.21
COC1=CC=CC(C(NCC2=NC=CN2C(C)C)C(=O)[O-])=C1	REAL300018346816	0	42	-1.0	-50.91	346.57	7.04	-43.87
COC1=CC=CC(C(NCC2=NN(C3=CC=CC=C3)C=C2)C(=O)[O-])=C1	REAL300018346821	0	43	-1.0	-55.77	364.61	8.35	-47.42
COC1=CC=CC(C(NCC2=CN=C(C(F)(F)F)S2)C(=O)[O-])=C1	REAL300018346822	0	35	-1.0	-47.05	331.79	5.63	-41.42
CCC1=NN(C)C=C1CNC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018346823	1	42	-1.0	-54.94	351.59	6.28	-48.66
COC1=CC=CC(C(NCC2=NN3CCCCC3=C2)C(=O)[O-])=C1	REAL300018346824	0	43	-1.0	-56.84	348.04	6.45	-50.39
COC1=NC=C(CNC(C(=O)[O-])C2=CC(OC)=CC=C2)S1	REAL300018346825	0	36	-1.0	-49.94	323.23	2.84	-47.10
COC1=CC=CC(C(NCC2=CC3=C(C=N2)OCCO3)C(=O)[O-])=C1	REAL300018346827	0	41	-1.0	-54.84	345.38	4.52	-50.32
COC1=CC=CC(C(NCC2=CN=C(Cl)N2C)C(=O)[O-])=C1	REAL300018346830	1	36	-1.0	-50.61	322.05	6.09	-44.52
COC1=CC=CC(C(NCC2=CN=C(Br)N2C)C(=O)[O-])=C1	REAL300018346831	1	36	-1.0	-50.94	326.35	6.12	-44.82
COC1=CC=CC(C(NCC2=CN(C3=CC=C(F)C=C3)N=N2)C(=O)[O-])=C1	REAL300018346832	0	42	-1.0	-50.46	365.04	7.12	-43.34
COC1=CC=CC(C(NCC2=CC(C(F)(F)F)=NN2)C(=O)[O-])=C1	REAL300018346833	1	36	-1.0	-42.72	324.52	4.46	-38.26
CCOC1=CC=CC(CNC(C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300018346836	0	42	-1.0	-58.40	354.95	4.78	-53.62
COC1=CC=CC(C(NCC2=CC3=CC=NC=C3S2)C(=O)[O-])=C1	REAL300018346838	0	38	-1.0	-47.05	336.52	6.91	-40.14
COC1=CC=CC(C(NCC2=NC=C(C)C(OC)=C2C)C(=O)[O-])=C1	REAL300018346849	0	45	-1.0	-53.60	367.03	5.92	-47.68
COC1=CC=CC(C(NCC2=CC3=CC=CC=C3C=C2OC)C(=O)[O-])=C1	REAL300018346850	1	46	-1.0	-57.66	380.21	8.78	-48.88
COC1=CC=CC(C(NCC2=CC=C(S(C)(=O)=O)S2)C(=O)[O-])=C1	REAL300018346851	0	39	-1.0	-55.51	356.54	3.80	-51.71
COC1=CC=CC(C(NCC2=C3N=CC(Br)=CN3N=C2)C(=O)[O-])=C1	REAL300018346852	1	38	-1.0	-51.84	348.43	6.65	-45.19
COC1=CC=CC(C(NCC2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)C(=O)[O-])=C1	REAL300018346853	0	55	-1.0	-52.11	442.30	11.37	-40.74
COC1=CC=CC(C(NCC2=CC3=CC(Cl)=CN=C3O2)C(=O)[O-])=C1	REAL300018346857	0	38	-1.0	-51.57	343.78	5.13	-46.44
COC1=CC=CC(C(NCC2=NC(Cl)=CS2)C(=O)[O-])=C1	REAL300018346859	0	32	-1.0	-54.82	307.47	4.81	-50.01
COC1=NSC(CNC(C(=O)[O-])C2=CC(OC)=CC=C2)=C1	REAL300018346860	0	36	-1.0	-49.08	323.05	3.15	-45.93
COC1=CC=CC(C(NCC2=NC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300018346862	0	41	-1.0	-55.49	343.65	7.47	-48.02
COC1=CC=CC(C(NCC2=CC(OC)=C(OC)C=C2SC)C(=O)[O-])=C1	REAL300018346865	1	48	-1.0	-54.09	400.32	7.26	-46.83
COC1=CC=CC(C(NCC2=CN=C(C3CC3)O2)C(=O)[O-])=C1	REAL300018346869	0	39	-1.0	-51.18	334.42	4.54	-46.64
COC1=CC=CC(C(NCC2=NC3=CC=C(F)C=C3S2)C(=O)[O-])=C1	REAL300018346870	0	38	-1.0	-53.90	343.80	6.75	-47.15
CCOC1=CN=CC(CNC(C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018346872	1	42	-1.0	-52.85	352.01	5.63	-47.22
COC1=CC=CC(C(NCC2=CC(C3CC3)=NN2C)C(=O)[O-])=C1	REAL300018346875	0	43	-1.0	-52.19	358.30	6.82	-45.37
COC1=CC=CC(C(NCC2=CC=NN2CC2CC2)C(=O)[O-])=C1	REAL300018346881	0	43	-1.0	-46.76	358.63	7.11	-39.65
COC1=CC=CC(C(NCC2=CC=C(S(N)(=O)=O)O2)C(=O)[O-])=C1	REAL300018346884	0	38	-1.0	-56.22	341.74	0.29	-55.93
COC1=CC=CC(C(NCC2=CC3=CN=CC=C3O2)C(=O)[O-])=C1	REAL300018346889	0	38	-1.0	-50.51	327.12	5.91	-44.60
COC1=CC=CC(C(NCC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018346893	1	36	-1.0	-47.36	336.33	7.37	-39.99
COC1=CC=CC(C(NCC2=NC=C(Br)S2)C(=O)[O-])=C1	REAL300018346899	0	32	-1.0	-51.59	312.19	5.12	-46.47
COC1=CC=CC(C(NCC2=CN(C)N=C2C(F)F)C(=O)[O-])=C1	REAL300018346902	1	39	-1.0	-51.45	340.78	5.75	-45.70
COC1=CC=CC(C(NC(C)C2=CC=C(C3=CC=CC=C3)C=N2)C(=O)[O-])=C1	REAL300018346904	0	48	-1.0	-51.43	386.50	9.47	-41.96
COC1=CC=CC(C(NCC2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])=C1	REAL300018346909	1	41	-1.0	-61.29	359.90	2.18	-59.11
CCCN1N=CC=C1CNC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018346910	0	42	-1.0	-45.60	343.61	6.44	-39.16
COC1=CC=CC(C(NCC2=C3CCCN3N=C2)C(=O)[O-])=C1	REAL300018346912	1	40	-1.0	-53.10	329.92	5.72	-47.38
COC1=CC=CC(C(NCC2=NN3CCCC3=C2)C(=O)[O-])=C1	REAL300018346913	0	40	-1.0	-58.31	329.98	5.63	-52.68
COC1=CC=CC(C(NCC2=NC=C(C(F)(F)F)S2)C(=O)[O-])=C1	REAL300018346914	0	35	-1.0	-43.80	330.15	5.43	-38.37
COC1=CC=CC(C(NCC2=CC3=CC=CN=C3O2)C(=O)[O-])=C1	REAL300018346916	0	38	-1.0	-56.37	326.10	4.59	-51.78
COC1=CC=CC(C(NCC2=CC3=CC(F)=CC=C3O2)C(=O)[O-])=C1	REAL300018346922	0	39	-1.0	-49.70	340.02	7.82	-41.88
COC1=CC=CC(C(NCC2=CC3=C(C=C2OC(F)F)OCO3)C(=O)[O-])=C1	REAL300018346924	1	43	-1.0	-54.55	370.04	5.48	-49.07
COC1=CC=CC(C(NCC2=CC=C(OC)C=C2Br)C(=O)[O-])=C1	REAL300018346925	1	40	-1.0	-47.88	352.32	6.94	-40.94
COC1=CC=CC(C(NCC2=CN(C3=CC=C(Cl)C=C3)N=C2C)C(=O)[O-])=C1	REAL300018346927	1	46	-1.0	-47.59	401.26	9.45	-38.14
COC1=CC=CC(C(NCC2=CSC(CN(C)C)=N2)C(=O)[O-])=C1	REAL300018346928	0	43	-1.0	-57.22	368.26	3.93	-53.29
COC1=CC=CC(C(NCC2=CC(Br)=C(C)S2)C(=O)[O-])=C1	REAL300018346933	0	36	-1.0	-47.12	336.98	7.64	-39.48
COC1=CC=C(N2C=C(CNC(C(=O)[O-])C3=CC=CC(OC)=C3)C=N2)C=C1	REAL300018346937	1	47	-1.0	-51.84	392.85	7.62	-44.22
COC1=CC=CC(C(NCC2=CN(C3=CC=CC=C3Cl)N=C2C)C(=O)[O-])=C1	REAL300018346941	1	46	-1.0	-50.96	396.64	9.61	-41.35
COC1=CC=CC(C(NCC2=CC(C3=CC=CC=N3)=NN2)C(=O)[O-])=C1	REAL300018346944	1	42	-1.0	-52.38	361.90	5.46	-46.92
COC1=CC=CC(C(NCC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)C(=O)[O-])=C1	REAL300018346954	0	49	-1.0	-64.28	396.88	8.78	-55.50
COC1=CC=CC(C(NCC2=NC3=CC(C(F)(F)F)=CC=C3N2C)C(=O)[O-])=C1	REAL300018346955	0	45	-1.0	-46.13	389.72	8.51	-37.62
COC1=CC=CC(C(NCC2=NC3=C(CC(C)CC3)S2)C(=O)[O-])=C1	REAL300018346956	0	45	-1.0	-51.14	373.96	7.55	-43.59
CCC1=CN=C(CNC(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300018346957	0	38	-1.0	-55.67	334.13	5.91	-49.76
COC1=CC=CC(C(NCC2=NOC(C3CCC3)=C2)C(=O)[O-])=C1	REAL300018346965	0	42	-1.0	-53.06	348.60	7.36	-45.70
COC1=CC=CC(C(NCC2=NOC(C3(C)CC3)=C2)C(=O)[O-])=C1	REAL300018346966	0	42	-1.0	-57.52	353.51	7.33	-50.19
COC1=CC=CC(C(NCC2=CN=C3CCCCCN23)C(=O)[O-])=C1	REAL300018346969	0	46	-1.0	-51.02	360.69	7.59	-43.43
COC1=CC=C2SC(CNC(C(=O)[O-])C3=CC(OC)=CC=C3)=CC2=C1	REAL300018346970	0	43	-1.0	-54.09	372.88	8.02	-46.07
COC1=CC=CC(C(NCC2=CC(C3=CC=CC=C3)=NO2)C(=O)[O-])=C1	REAL300018346971	0	42	-1.0	-49.51	360.67	8.41	-41.10
COC1=CC=CC(C(NCC2=CN=C(C3CCOCC3)O2)C(=O)[O-])=C1	REAL300018346983	0	46	-1.0	-51.64	378.23	3.63	-48.01
COC1=CC=CC(C(NCC2=NOC(C3CC3)=C2)C(=O)[O-])=C1	REAL300018346984	0	39	-1.0	-57.78	334.50	6.91	-50.87
COC1=CC=CC(C(NCC2=C(C)C(C(F)(F)F)=NN2)C(=O)[O-])=C1	REAL300018346988	1	39	-1.0	-46.81	345.65	5.09	-41.72
COC1=CC=CC(C(NCC2=NC(C3CC3)=CS2)C(=O)[O-])=C1	REAL300018346991	0	39	-1.0	-48.56	340.15	6.33	-42.23
COC1=CC=CC(C(NCC2=CN(CC3CC3)N=N2)C(=O)[O-])=C1	REAL300018346992	0	42	-1.0	-52.09	355.26	6.13	-45.96
COC1=CC=CC(C(NCC2=NC3=C(CCCC3)N2)C(=O)[O-])=C1	REAL300018346994	0	43	-1.0	-51.62	348.67	6.31	-45.31
COCC1=CC(NCC2=CC=C(C)C(F)=C2)=CC(C(=O)[O-])=C1	REAL300018348560	0	39	-1.0	-53.12	335.32	8.07	-45.05
COCC1=CC(NCC2=CC(Cl)=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300018348562	0	38	-1.0	-57.23	347.04	8.56	-48.67
COCC1=CC(NC2CC(C)(C)CC(C)(C)C2)=CC(C(=O)[O-])=C1	REAL300018348563	0	51	-1.0	-55.41	381.12	8.88	-46.53
COCC1=CC(NC2CCC3=CC(Br)=CC=C3C2)=CC(C(=O)[O-])=C1	REAL300018348564	0	43	-1.0	-55.15	369.19	9.71	-45.44
COCC1=CC(NC(C)CCC2=CNC3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300018348565	0	49	-1.0	-58.87	401.77	9.79	-49.08
COCC1=CC(NCC2=CC=C(OC)C(OC)=C2Cl)=CC(C(=O)[O-])=C1	REAL300018348566	0	44	-1.0	-56.11	384.97	7.11	-49.00
COCC1=CC(NCC2=CC=C(C3=CC=CS3)C=C2)=CC(C(=O)[O-])=C1	REAL300018348567	0	43	-1.0	-53.59	375.96	9.98	-43.61
COCC1=CC(NCC2=CC3=CC=CC=C3S2)=CC(C(=O)[O-])=C1	REAL300018348568	0	39	-1.0	-53.97	345.98	8.89	-45.08
COCC1=CC(NCC2=CC=C(OC(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300018348569	0	46	-1.0	-53.37	377.87	8.21	-45.16
CCCCCCCOC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1	REAL300018348570	0	58	-1.0	-52.95	467.44	11.51	-41.44
COCC1=CC(NCC(C)CC2=CC=C(C(C)(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300018348571	0	57	-1.0	-53.24	442.65	11.78	-41.46
COCC1=CC(NCC2=CC=C(F)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300018348572	0	39	-1.0	-51.90	335.31	8.06	-43.84
COCC1=CC(NCC2=C3NC=CC3=CC=C2)=CC(C(=O)[O-])=C1	REAL300018348573	0	40	-1.0	-54.05	339.95	7.36	-46.69
COCC1=CC(NCC2=CSC([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300018348574	0	35	-1.0	-54.59	328.64	7.15	-47.44
COCC1=CC(NCC2=CC=CC=C2N2CCOCC2)=CC(C(=O)[O-])=C1	REAL300018348575	0	49	-1.0	-55.35	395.22	6.77	-48.58
COCC1=CC(NCC2=CC=C(CC(C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300018348576	0	48	-1.0	-52.86	389.79	10.05	-42.81
COCC1=CC(NCC2=CC=CC(C3=CC=C(C)C=C3)=C2)=CC(C(=O)[O-])=C1	REAL300018348577	0	49	-1.0	-54.68	404.21	11.44	-43.24
COCC1=CC(NCC2=CC(OC)=CC=C2Br)=CC(C(=O)[O-])=C1	REAL300018348578	0	40	-1.0	-54.78	356.31	7.23	-47.55
COCC1=CC(NCC2=CC=C(OC)C([N+](=O)[O-])=C2)=CC(C(=O)[O-])=C1	REAL300018348579	0	42	-1.0	-58.89	364.12	8.10	-50.79
COCC1=CC(NCC2=CC(Cl)=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300018348580	0	36	-1.0	-50.76	342.06	8.37	-42.39
COCC1=CC(NCC2=CC=CC(C3=CC=CC=C3C)=C2)=CC(C(=O)[O-])=C1	REAL300018348581	0	49	-1.0	-54.47	404.65	11.44	-43.03
COCC1=CC(NCC2=CC=CC(OC(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300018348582	0	40	-1.0	-54.95	347.85	6.94	-48.01
CCOC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1OCC	REAL300018348583	0	50	-1.0	-54.86	411.05	8.40	-46.46
COCC1=CC(NC2CCC(C(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300018348584	0	48	-1.0	-54.78	365.34	8.68	-46.10
COCC1=CC(NCC2=CC=C(Cl)C(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300018348585	0	39	-1.0	-52.34	360.49	8.77	-43.57
COCC1=CC(NCC2=CC=C(F)C=C2Br)=CC(C(=O)[O-])=C1	REAL300018348586	0	36	-1.0	-52.03	333.46	7.93	-44.10
COCC1=CC(NCC2=CC=C3OC(F)(F)OC3=C2)=CC(C(=O)[O-])=C1	REAL300018348587	0	39	-1.0	-52.72	348.20	6.46	-46.26
COCC1=CC(NCC2=CC=NC3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300018348588	0	41	-1.0	-53.89	346.75	7.59	-46.30
COCC1=CC(NCC2=CC=CC(OC(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300018348589	0	40	-1.0	-52.27	354.59	7.15	-45.12
COCC1=CC(NCC2=CC=C(S(C)(=O)=O)C=C2)=CC(C(=O)[O-])=C1	REAL300018348590	0	42	-1.0	-59.50	369.28	4.88	-54.62
COCC1=CC(NCC2=CC=C(C3=CC=CC=C3OC)C=C2)=CC(C(=O)[O-])=C1	REAL300018348591	0	50	-1.0	-55.78	416.80	10.42	-45.36
COCC1=CC(NC(C)CCOCC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018348592	0	49	-1.0	-54.78	403.89	9.02	-45.76
COCC1=CC(NC2CC(C3=CC=C(Cl)C=C3)C2)=CC(C(=O)[O-])=C1	REAL300018348593	0	43	-1.0	-53.66	368.48	9.77	-43.89
COCC1=CC(NCC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300018348594	0	46	-1.0	-53.66	399.53	11.30	-42.36
COCC1=CC(NCC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)=CC(C(=O)[O-])=C1	REAL300018348595	0	46	-1.0	-54.18	399.54	11.29	-42.89
COCC1=CC(NCC2=CC=C(OC)C3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300018348596	0	46	-1.0	-54.69	379.78	8.82	-45.87
CCC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)S1	REAL300018348597	0	39	-1.0	-52.61	342.19	8.03	-44.58
COCC1=CC(NCC2=NC3=CC=CC=C3N2C)=CC(C(=O)[O-])=C1	REAL300018348598	0	42	-1.0	-56.13	355.01	7.69	-48.44
COCC1=CC(NCC2=CC=C3OCCC3=C2)=CC(C(=O)[O-])=C1	REAL300018348599	0	41	-1.0	-53.81	344.49	7.19	-46.62
COCC1=CC(NCC2=CSC(Br)=C2)=CC(C(=O)[O-])=C1	REAL300018348600	0	33	-1.0	-51.39	320.25	7.02	-44.37
COCC1=CC(NCC2=CC=CC=C2OCC2=CC=NC=C2)=CC(C(=O)[O-])=C1	REAL300018348601	0	49	-1.0	-59.63	413.68	8.91	-50.72
COCC1=CC(NCC2=CC=CC=C2OCC2=CC=CN=C2)=CC(C(=O)[O-])=C1	REAL300018348602	0	49	-1.0	-60.38	413.64	8.89	-51.49
COCC1=CC(NCC2=CC=C(N3CCCC3)N=C2)=CC(C(=O)[O-])=C1	REAL300018348603	0	47	-1.0	-53.41	382.52	7.27	-46.14
COCC1=CC(NCC2=CC=CC(NS(C)(=O)=O)=C2)=CC(C(=O)[O-])=C1	REAL300018348604	0	44	-1.0	-57.93	382.18	4.07	-53.86
COCC1=CC(NCC2=C3C=CNC3=CC=C2)=CC(C(=O)[O-])=C1	REAL300018348605	0	40	-1.0	-56.89	339.78	7.38	-49.51
COCC1=CC(NCC2=CC=C3C=CNC3=C2)=CC(C(=O)[O-])=C1	REAL300018348606	0	40	-1.0	-55.51	339.96	7.39	-48.12
COCC1=CC(NC(C)CC2=CC=CS2)=CC(C(=O)[O-])=C1	REAL300018348607	0	39	-1.0	-54.26	339.02	8.00	-46.26
COCC1=CC(NCC2=CC=CC3=C2OC(F)(F)O3)=CC(C(=O)[O-])=C1	REAL300018348608	0	39	-1.0	-56.33	348.18	6.45	-49.88
COCC1=CC(NCC2=CC=C(F)C=C2C)=CC(C(=O)[O-])=C1	REAL300018348609	0	39	-1.0	-51.71	332.12	8.16	-43.55
COCC1=CC(NCC2=CC=C3OC(C)(C)CCC3=C2)=CC(C(=O)[O-])=C1	REAL300018348610	0	50	-1.0	-54.08	399.19	9.18	-44.90
COCC1=CC(NC(C)CC(C)(C)C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018348611	0	51	-1.0	-54.55	391.14	10.88	-43.67
COCC1=CC(NCC2=CC=CC=C2N(C)C)=CC(C(=O)[O-])=C1	REAL300018348612	0	44	-1.0	-54.62	362.09	7.20	-47.42
COCC1=CC(NCC2=CC=CC(C3=CC=CN=C3)=C2)=CC(C(=O)[O-])=C1	REAL300018348613	0	45	-1.0	-57.25	377.82	9.00	-48.25
COCC1=CC(NCC2=CC=CC(C3=CC=NC=C3)=C2)=CC(C(=O)[O-])=C1	REAL300018348614	0	45	-1.0	-55.55	378.01	9.01	-46.54
COCC1=CC(NCC2=CC=C(N3CCN(C)CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300018348615	1	53	-1.0	-53.57	417.81	6.07	-47.50
COCC1=CC(NCC2=C(N3CCOCC3)N(C)N=C2C)=CC(C(=O)[O-])=C1	REAL300018348616	0	52	-1.0	-56.08	411.80	5.24	-50.84
COCC1=CC(NCC2=CC=C(OC3=CN=CC=N3)C=C2)=CC(C(=O)[O-])=C1	REAL300018348617	0	45	-1.0	-55.75	389.93	5.85	-49.90
COCC1=CC(NC2CCN(C3=CN=CC=N3)CC2)=CC(C(=O)[O-])=C1	REAL300018348618	0	46	-1.0	-56.77	370.43	5.38	-51.39
COCC1=CC(NC2CCN(CC3=CC=C(Cl)C=C3)CC2)=CC(C(=O)[O-])=C1	REAL300018348619	1	51	-1.0	-55.44	418.50	8.46	-46.98
COCC1=CC(NC2CCN(CC3=CC=CC=C3Cl)CC2)=CC(C(=O)[O-])=C1	REAL300018348620	1	51	-1.0	-54.41	418.94	8.72	-45.69
COCC1=CC(NC2CCN(CC3=CC=CC=N3)CC2)=CC(C(=O)[O-])=C1	REAL300018348621	1	50	-1.0	-55.97	398.12	6.28	-49.69
COCC1=CC(NCC2=CN(C3=CC=C(F)C=C3)N=C2)=CC(C(=O)[O-])=C1	REAL300018348622	0	43	-1.0	-54.71	373.84	8.63	-46.08
COCC1=CC(NCC2=C(C)N(C3=CC=C(Cl)C=C3)N=C2C)=CC(C(=O)[O-])=C1	REAL300018348623	0	49	-1.0	-54.48	420.67	9.94	-44.54
COCC1=CC(NCC2=CN(C3=CC=C(Cl)C=C3)N=C2)=CC(C(=O)[O-])=C1	REAL300018348624	0	43	-1.0	-54.33	384.16	9.08	-45.25
COCC1=CC(NCC2=CN(C(C)(C)C)N=C2)=CC(C(=O)[O-])=C1	REAL300018348625	0	45	-1.0	-54.94	371.35	7.17	-47.77
COCC1=CC(NCC2=CC=C(OCC(F)(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300018348627	0	43	-1.0	-54.64	379.52	8.05	-46.59
COCC1=CC(NCC2=CC(Cl)=CC=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300018348629	0	40	-1.0	-53.72	363.50	7.48	-46.24
COCC1=CC(NCC2=CC=C(C3=CC=CC(Cl)=C3)S2)=CC(C(=O)[O-])=C1	REAL300018348630	0	43	-1.0	-54.62	393.17	10.64	-43.98
COCC1=CC(NCC2=CNN=C2C2=CC=C3OCOC3=C2)=CC(C(=O)[O-])=C1	REAL300018348631	0	46	-1.0	-58.44	388.23	6.53	-51.91
COCC1=CC(NCC2=CNN=C2C2=CC=CC(OC)=C2)=CC(C(=O)[O-])=C1	REAL300018348632	0	47	-1.0	-57.63	391.62	7.17	-50.46
COCC1=CC(NCC2=CC=C(OCC(F)(F)F)C(OC)=C2)=CC(C(=O)[O-])=C1	REAL300018348633	0	47	-1.0	-56.30	408.77	7.94	-48.36
COCC1=CC(NCC2=CN=C(N3CCCC3)N=C2)=CC(C(=O)[O-])=C1	REAL300018348634	0	46	-1.0	-53.67	377.62	7.25	-46.42
COCC1=CC(NCC2=CC=C(OCC3=CC=NC=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300018348635	0	49	-1.0	-55.81	414.74	8.88	-46.93
COCC1=CC(NCC2=CC=CC(OCC3=CC=CC=N3)=C2)=CC(C(=O)[O-])=C1	REAL300018348636	0	49	-1.0	-56.36	412.63	8.95	-47.41
COCC1=CC(NCC2=CN(C)N=C2C(C)C)=CC(C(=O)[O-])=C1	REAL300018348638	0	45	-1.0	-55.06	373.80	6.99	-48.07
COCCOC1=CC=CC(CNC2=CC(COC)=CC(C(=O)[O-])=C2)=C1	REAL300018348639	0	47	-1.0	-57.40	393.58	6.86	-50.54
COCC1=CC(NCC2=CC=C(OC)C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300018348640	0	40	-1.0	-54.02	354.13	7.21	-46.81
COCC1=CC(NCC2=CC3=CC(Cl)=CC(Cl)=C3OC2)=CC(C(=O)[O-])=C1	REAL300018348641	0	42	-1.0	-51.88	387.49	8.90	-42.98
COCC1=CC(NCC2=CSC(C3=CC=CC=N3)=N2)=CC(C(=O)[O-])=C1	REAL300018348642	0	41	-1.0	-60.82	368.86	6.28	-54.54
COCC1=CC(NCC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=CC(C(=O)[O-])=C1	REAL300018348643	0	44	-1.0	-59.05	374.78	7.18	-51.87
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COCC1=CC(NC(C)CC2=CC=CC(C)=C2)=CC(C(=O)[O-])=C1	REAL300018348754	0	45	-1.0	-56.01	368.33	9.63	-46.38
COCC1=CC(NCC2=CC3=C(C=C2OC)OCO3)=CC(C(=O)[O-])=C1	REAL300018348755	0	43	-1.0	-56.23	363.07	5.35	-50.88
COCC1=CC(NCC2=CC(OC)=C(OC)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300018348756	0	44	-1.0	-54.76	381.69	7.00	-47.76
COCC1=CC(NCC2=C(OC)C=CS2)=CC(C(=O)[O-])=C1	REAL300018348757	0	37	-1.0	-56.47	328.72	5.76	-50.71
COCC1=CC(NCC2=CC=CC(OCC(C)C)=C2)=CC(C(=O)[O-])=C1	REAL300018348758	0	49	-1.0	-54.50	401.55	9.08	-45.42
COCC1=CC(NCC2=CC=C(F)C3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300018348759	0	42	-1.0	-52.53	356.98	9.50	-43.03
C=CCOC1=C(Cl)C=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1OC	REAL300018348760	0	48	-1.0	-53.64	422.06	8.72	-44.92
COCC1=CC(NCC2=CC=C(OC)C(CN3C=CC=N3)=C2)=CC(C(=O)[O-])=C1	REAL300018348761	0	50	-1.0	-56.50	420.69	8.36	-48.14
COCC1=CC(NCC2=CC=CC=C2OCC(C)C)=CC(C(=O)[O-])=C1	REAL300018348762	0	49	-1.0	-56.16	400.50	9.12	-47.04
COCC1=CC(NCC2=CC=CC3=C2OC(C)(C)C3)=CC(C(=O)[O-])=C1	REAL300018348763	0	47	-1.0	-57.31	385.82	8.58	-48.73
COCC1=CC(NCC2=C(Cl)C=NC=C2Cl)=CC(C(=O)[O-])=C1	REAL300018348764	0	35	-1.0	-52.51	332.06	6.41	-46.10
COCC1=CC(NCC2=NC3=C(CCCC3)S2)=CC(C(=O)[O-])=C1	REAL300018348765	0	42	-1.0	-54.48	357.12	7.10	-47.38
COCC1=CC(NCC2=CC=NC=C2Br)=CC(C(=O)[O-])=C1	REAL300018348766	0	35	-1.0	-52.69	322.24	6.09	-46.60
COCC1=CC(NCC2=CC=NC=C2Cl)=CC(C(=O)[O-])=C1	REAL300018348767	0	35	-1.0	-52.83	318.16	6.00	-46.83
COCC1=CC(NCC(C)(C)N2CCOCC2)=CC(C(=O)[O-])=C1	REAL300018348768	1	48	-1.0	-53.29	364.22	4.15	-49.14
COCC1=CC(NCC2=CC(F)=CC(Br)=C2)=CC(C(=O)[O-])=C1	REAL300018348769	0	36	-1.0	-50.99	336.30	8.04	-42.95
COCC1=CC(NC(C)CC2=CC=C(F)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300018348770	0	42	-1.0	-58.24	368.30	9.39	-48.85
COCC1=CC(NCC2=CN(C)N=C2C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018348771	0	46	-1.0	-57.10	385.15	9.17	-47.93
CCC1=NC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=N1	REAL300018348772	0	40	-1.0	-52.56	341.55	5.96	-46.60
COCC1=CC(NCC2=CC=CC(N3C=CC=N3)=C2)=CC(C(=O)[O-])=C1	REAL300018348773	0	43	-1.0	-59.95	366.95	8.56	-51.39
COCC1=CC(NCC2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300018348774	0	41	-1.0	-57.12	369.06	9.04	-48.08
COCC1=CC(NCC2=CC3=CC=NC=C3C=C2)=CC(C(=O)[O-])=C1	REAL300018348775	0	41	-1.0	-54.52	349.60	7.84	-46.68
COCC1=CC(NCC2=CC(C)=C(Br)S2)=CC(C(=O)[O-])=C1	REAL300018348776	0	36	-1.0	-51.27	340.08	7.78	-43.49
COCC1=CC(NCC2=CC=CC3=NNC=C32)=CC(C(=O)[O-])=C1	REAL300018348777	0	39	-1.0	-55.05	334.71	6.07	-48.98
COCC1=CC(NCC2=CC=CC3=CNN=C32)=CC(C(=O)[O-])=C1	REAL300018348778	0	39	-1.0	-62.52	334.87	6.05	-56.47
COCC1=CC(NCC2=CC3=CC(Br)=CC=C3O2)=CC(C(=O)[O-])=C1	REAL300018348779	0	39	-1.0	-52.26	357.77	8.49	-43.77
COCC1=CC(NCC2=CN=C3CCCN23)=CC(C(=O)[O-])=C1	REAL300018348780	0	40	-1.0	-56.56	334.60	6.93	-49.63
COCC1=CC(NC2CCN(S(C)(=O)=O)CC2)=CC(C(=O)[O-])=C1	REAL300018348781	0	44	-1.0	-58.12	363.90	3.40	-54.72
COCC1=CC(NCC2=CC(F)=CC(OC)=C2)=CC(C(=O)[O-])=C1	REAL300018348782	0	40	-1.0	-52.98	344.52	6.73	-46.25
COCC1=CC(NC(C)CC2=CN=CC=N2)=CC(C(=O)[O-])=C1	REAL300018348783	0	40	-1.0	-58.18	335.75	5.81	-52.37
COCC1=CC(NCC2=CN=C(C(C)(C)C)N=C2)=CC(C(=O)[O-])=C1	REAL300018348784	0	46	-1.0	-52.55	380.22	7.33	-45.22
COCC1=CC(NC2CCN(C3=CC=CC=C3OC)CC2)=CC(C(=O)[O-])=C1	REAL300018348785	0	52	-1.0	-56.76	411.43	7.47	-49.29
COCC1=CC(NCC2=CC=C(C)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300018348786	0	39	-1.0	-53.91	344.41	8.44	-45.47
COCC1=CC(NCC2=CC(OC)=CC=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300018348787	0	44	-1.0	-56.00	376.26	6.25	-49.75
COCC1=CC(NCC2=C(Cl)C=CC=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300018348788	0	40	-1.0	-56.09	360.58	7.40	-48.69
COCC1=CC(NCC2=CC=C([N+](=O)[O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300018348789	0	38	-1.0	-53.44	349.27	8.40	-45.04
COCC1=CC(NCCC2=CC=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300018348790	0	39	-1.0	-55.32	346.83	8.65	-46.67
COCC1=CC(NC2CCCC2C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018348791	0	46	-1.0	-56.26	368.85	9.86	-46.40
COCC1=CC(NCC2=CC=C(OC3=CC=CN=C3)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300018348792	0	49	-1.0	-55.93	411.75	9.06	-46.87
COCC1=CC(NC(C)CC2=CC=C(F)C=C2Br)=CC(C(=O)[O-])=C1	REAL300018348793	0	42	-1.0	-58.07	371.91	9.47	-48.60
COCC1=CC(NCC2=CN=C(C3=CC=C(C)C=C3)S2)=CC(C(=O)[O-])=C1	REAL300018348794	0	45	-1.0	-53.82	395.02	9.07	-44.75
COCC1=CC(NCC2=CC(Cl)=CC3=CC=CN=C32)=CC(C(=O)[O-])=C1	REAL300018348795	0	41	-1.0	-57.66	365.40	8.36	-49.30
COCC1=CC(NCC2=C(Cl)C=CC3=CC=CN=C32)=CC(C(=O)[O-])=C1	REAL300018348796	0	41	-1.0	-61.33	362.35	8.29	-53.04
COCC1=CC(NCC2=CC=C(F)C3=CC=CN=C23)=CC(C(=O)[O-])=C1	REAL300018348797	0	41	-1.0	-56.41	354.32	7.89	-48.52
COCC1=CC(NCC2=CC(F)=CC3=CC=CN=C32)=CC(C(=O)[O-])=C1	REAL300018348798	0	41	-1.0	-57.64	355.10	7.92	-49.72
COCC1=CC(NCC2=CC=C(Cl)C3=CC=CN=C23)=CC(C(=O)[O-])=C1	REAL300018348799	0	41	-1.0	-56.26	363.16	8.28	-47.98
COCC1=CC(NCC2=CC=C(S(C)=O)C=C2)=CC(C(=O)[O-])=C1	REAL300018348800	0	41	-1.0	-63.87	360.81	5.95	-57.92
COCC1=CC(NCC2=CC=C([N+](=O)[O-])C=C2Cl)=CC(C(=O)[O-])=C1	REAL300018348801	0	38	-1.0	-52.91	351.21	8.45	-44.46
COCC1=CC(NCC2=CC=CN2CCC(C)C)=CC(C(=O)[O-])=C1	REAL300018348802	0	49	-1.0	-53.20	394.06	9.90	-43.30
COCC1=CC(NCC2=CC=C(C3=C(F)C=CC=C3F)O2)=CC(C(=O)[O-])=C1	REAL300018348803	0	43	-1.0	-58.00	383.33	9.42	-48.58
COCC1=CC(NCC2=CC=C(C3=CC=C(F)C=C3C)O2)=CC(C(=O)[O-])=C1	REAL300018348804	0	46	-1.0	-53.12	395.80	10.00	-43.12
CCC1=CC=C(C2=CC=C(CNC3=CC(COC)=CC(C(=O)[O-])=C3)O2)C=C1	REAL300018348805	0	49	-1.0	-54.36	411.73	10.70	-43.66
COCC1=CC(NCC2=CC=C(OC)C=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300018348806	0	44	-1.0	-56.50	376.26	6.27	-50.23
COCC1=CC(NC2CCOC(C(C)C)C2)=CC(C(=O)[O-])=C1	REAL300018348807	0	46	-1.0	-53.18	359.53	6.67	-46.51
CCN1C=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300018348808	0	49	-1.0	-56.88	406.66	10.05	-46.83
COCC1=CC(NCC2=CC=C3CCCCC3=C2)=CC(C(=O)[O-])=C1	REAL300018348809	0	46	-1.0	-53.23	371.29	9.85	-43.38
COCC1=CC(NC2CCC(C3CCCCC3)CC2)=CC(C(=O)[O-])=C1	REAL300018348810	0	55	-1.0	-54.86	406.97	10.56	-44.30
COCC1=CC(NC(C)CC(C)CC(C)C)=CC(C(=O)[O-])=C1	REAL300018348811	0	50	-1.0	-53.90	384.39	9.21	-44.69
COCC1=CC(NCC(C)C2=CC=C(C)C=C2)=CC(C(=O)[O-])=C1	REAL300018348812	0	45	-1.0	-55.23	367.10	9.39	-45.84
COCC1=CC(NCC2=CC=C(OC)C(C(C)(C)C)=C2)=CC(C(=O)[O-])=C1	REAL300018348813	0	52	-1.0	-53.40	409.27	9.34	-44.06
COCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(COC)=C2)O1	REAL300018348814	0	40	-1.0	-55.16	344.92	5.38	-49.78
COCC1=CC(NCC2=CC=CC(OC(C)(C)C)=C2)=CC(C(=O)[O-])=C1	REAL300018348815	0	49	-1.0	-55.06	388.99	8.50	-46.56
COCC1=CC(NCC(C)C2CCCCC2)=CC(C(=O)[O-])=C1	REAL300018348816	0	48	-1.0	-53.62	365.52	8.85	-44.77
COCC1=CC(NCC2=CC=C(S(N)(=O)=O)C=C2)=CC(C(=O)[O-])=C1	REAL300018348817	0	41	-1.0	-59.23	362.78	2.32	-56.91
COCC1=CC(NC2CCC3=CC=CC(Cl)=C3C2)=CC(C(=O)[O-])=C1	REAL300018348818	0	43	-1.0	-58.69	362.02	9.52	-49.17
CCOC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300018348819	0	46	-1.0	-53.32	377.07	8.31	-45.01
COCC1=CC(NCC2=CC=C(C)C=C2OC)=CC(C(=O)[O-])=C1	REAL300018348820	0	43	-1.0	-55.90	358.44	7.36	-48.54
COCC1=CC(NCC2CCC3=CC=CC=C3C2)=CC(C(=O)[O-])=C1	REAL300018348821	0	46	-1.0	-53.71	369.10	9.84	-43.87
COCC1=CC(NCC2=CC(Cl)=CC(Cl)=C2N)=CC(C(=O)[O-])=C1	REAL300018348822	0	38	-1.0	-50.39	351.61	6.35	-44.04
COCC1=CC(NC2CCC(C3=CC=C(F)C=C3)C2)=CC(C(=O)[O-])=C1	REAL300018348823	0	46	-1.0	-54.45	375.12	9.97	-44.48
COCC1=CSC(CNC2=CC(C(=O)[O-])=CC(COC)=C2)=C1	REAL300018348824	0	40	-1.0	-54.04	354.12	6.18	-47.86
CCCC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)S1	REAL300018348825	0	42	-1.0	-52.53	363.69	8.81	-43.72
COCC1=CC(NCC2=NC=CN2C(C)C)=CC(C(=O)[O-])=C1	REAL300018348826	0	42	-1.0	-55.38	349.45	7.14	-48.24
COCC1=CC(NCC2=CC=CC([N+](=O)[O-])=C2C)=CC(C(=O)[O-])=C1	REAL300018348827	0	41	-1.0	-54.62	348.40	8.58	-46.04
COCC1=CC(NCC2=CC=C(Br)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300018348828	0	39	-1.0	-51.60	348.08	8.55	-43.05
COCC1=CC(NCC2=CC=C(Cl)C(OC)=C2)=CC(C(=O)[O-])=C1	REAL300018348829	0	40	-1.0	-52.59	354.13	7.21	-45.38
COCC1=CC(NCC2=C(C)C=CC=C2OC)=CC(C(=O)[O-])=C1	REAL300018348830	0	43	-1.0	-56.26	354.39	7.26	-49.00
COCC1=CC(NCC2=C3OC=CC3=CC=C2)=CC(C(=O)[O-])=C1	REAL300018348831	0	39	-1.0	-56.74	335.94	7.68	-49.06
COCC1=CC(NCC2=NN(C3=CC=CC=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300018348832	0	43	-1.0	-57.92	367.48	8.47	-49.45
COCC1=CC(NCC2=CN=C(C(F)(F)F)S2)=CC(C(=O)[O-])=C1	REAL300018348833	0	35	-1.0	-50.94	334.66	5.77	-45.17
CCC1=NN(C)C=C1CNC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018348834	0	42	-1.0	-55.14	354.21	6.45	-48.69
COCC1=CC(NCC2=NN3CCCCC3=C2)=CC(C(=O)[O-])=C1	REAL300018348835	0	43	-1.0	-57.04	353.19	6.68	-50.36
COCC1=CC(NCC2=CN=C(OC)S2)=CC(C(=O)[O-])=C1	REAL300018348836	0	36	-1.0	-52.49	326.11	2.98	-49.51
COCC1=CC(NC2CC3=CC=C(Cl)C=C3C2)=CC(C(=O)[O-])=C1	REAL300018348837	0	40	-1.0	-53.48	347.81	9.10	-44.38
COCC1=CC(NCC2=CC3=C(C=N2)OCCO3)=CC(C(=O)[O-])=C1	REAL300018348838	0	41	-1.0	-55.95	348.03	4.70	-51.25
COCC1=CC(NCC2=CN=C3C=CC(Cl)=CN23)=CC(C(=O)[O-])=C1	REAL300018348839	0	39	-1.0	-53.65	352.16	8.29	-45.36
COCC1=CC(NCC2=CN=C3C(C)=CC=CN23)=CC(C(=O)[O-])=C1	REAL300018348840	0	42	-1.0	-55.79	356.88	8.38	-47.41
COCC1=CC(NCC2=CN=C(Cl)N2C)=CC(C(=O)[O-])=C1	REAL300018348841	0	36	-1.0	-52.07	324.93	6.22	-45.85
COCC1=CC(NCC2=CN=C(Br)N2C)=CC(C(=O)[O-])=C1	REAL300018348842	0	36	-1.0	-52.20	329.22	6.24	-45.96
COCC1=CC(NCC2=CN(C3=CC=C(F)C=C3)N=N2)=CC(C(=O)[O-])=C1	REAL300018348843	0	42	-1.0	-56.72	367.91	7.25	-49.47
COCC1=CC(NCC2=CC(C(F)(F)F)=NN2)=CC(C(=O)[O-])=C1	REAL300018348844	0	36	-1.0	-51.24	329.66	4.69	-46.55
COCC1=CC(NCC2=CC3=C(F)C=CC=C3N2)=CC(C(=O)[O-])=C1	REAL300018348845	0	40	-1.0	-54.61	346.99	7.36	-47.25
COCC1=CC(NCC2=CC3=CC=C(F)C=C3N2)=CC(C(=O)[O-])=C1	REAL300018348846	0	40	-1.0	-52.17	346.89	7.35	-44.82
CCOC1=CC=CC(CNC2=CC(COC)=CC(C(=O)[O-])=C2)=N1	REAL300018348847	0	42	-1.0	-54.74	357.62	4.94	-49.80
COCC1=CC(NCC2=CC=CC(Cl)=C2C)=CC(C(=O)[O-])=C1	REAL300018348848	0	39	-1.0	-52.16	339.95	8.32	-43.84
COCC1=CC(NCC2=CC3=CC=NC=C3S2)=CC(C(=O)[O-])=C1	REAL300018348849	0	38	-1.0	-53.24	340.72	7.11	-46.13
COCC1=CC(NCC2=CN=C3C=CC=C(C)N23)=CC(C(=O)[O-])=C1	REAL300018348850	0	42	-1.0	-55.78	348.28	8.39	-47.39
COCC1=CC(NC(C)CCC2=NNC3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300018348851	0	48	-1.0	-56.11	396.96	8.33	-47.78
C=CCCCCCC(C)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018348852	0	48	-1.0	-54.29	387.25	9.63	-44.66
COCC1=CC(NCC2=CC(C)=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300018348853	0	39	-1.0	-52.17	346.74	8.53	-43.64
COCC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1	REAL300018348854	0	43	-1.0	-53.77	363.66	7.09	-46.68
COCC1=CC(NC(COC)CC(C)(C)C)=CC(C(=O)[O-])=C1	REAL300018348855	0	48	-1.0	-52.56	372.10	7.36	-45.20
COCC1=CC(NCC2=CC3=CC=CC(F)=C3N=C2)=CC(C(=O)[O-])=C1	REAL300018348856	0	41	-1.0	-57.00	356.01	7.80	-49.20
COCC1=CC(NCC2=CC3=CC=CN=C3C(C)=C2)=CC(C(=O)[O-])=C1	REAL300018348857	0	44	-1.0	-55.35	369.83	8.56	-46.79
COCC1=CC(NC2CCCC(C(C)C)C2)=CC(C(=O)[O-])=C1	REAL300018348858	0	48	-1.0	-54.61	365.27	8.66	-45.95
CCCOC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1C	REAL300018348859	0	49	-1.0	-53.21	401.53	9.13	-44.08
COCC1=CC(NCC2=NC=C(C)C(OC)=C2C)=CC(C(=O)[O-])=C1	REAL300018348860	0	45	-1.0	-55.43	371.06	6.14	-49.29
COCC1=CC(NCC2=CC3=CC=CC=C3C=C2OC)=CC(C(=O)[O-])=C1	REAL300018348861	0	46	-1.0	-56.23	382.85	8.97	-47.26
COCC1=CC(NC2CCCCC23CCCC3)=CC(C(=O)[O-])=C1	REAL300018348862	0	49	-1.0	-55.09	362.53	9.37	-45.72
COCC1=CC(NCC2=CC=C(S(C)(=O)=O)S2)=CC(C(=O)[O-])=C1	REAL300018348863	0	39	-1.0	-59.02	361.69	4.03	-54.99
COCC1=CC(NCC2=C3N=CC(Br)=CN3N=C2)=CC(C(=O)[O-])=C1	REAL300018348864	0	38	-1.0	-56.49	352.50	6.89	-49.60
COCC1=CC(NCC2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)=CC(C(=O)[O-])=C1	REAL300018348865	0	55	-1.0	-54.14	444.95	11.57	-42.57
COCC1=CC(NCC2=CC=CC(F)=C2N)=CC(C(=O)[O-])=C1	REAL300018348866	0	38	-1.0	-51.96	325.95	5.39	-46.57
CCC(C)CN(C)C1=CC=C(F)C=C1CNC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018348868	0	56	-1.0	-53.39	433.93	10.87	-42.52
CCCCCN(C)C1=CC=C(F)C=C1CNC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018348869	0	56	-1.0	-53.84	451.53	10.32	-43.52
COCC1=CC(NCC2=CC=C(C(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300018348870	0	39	-1.0	-53.74	340.79	8.23	-45.51
COCC1=CC(NCC2=CC3=CC(Cl)=CN=C3O2)=CC(C(=O)[O-])=C1	REAL300018348871	0	38	-1.0	-54.13	348.01	5.32	-48.81
COCC1=CC(NCC2=CC=CC3=C2CCC3)=CC(C(=O)[O-])=C1	REAL300018348872	0	43	-1.0	-53.59	353.49	9.22	-44.37
COCC1=CC(NCC2=CN(C)N=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300018348873	0	38	-1.0	-61.43	338.44	6.71	-54.72
COCC1=CC(NCC2=NC(Cl)=CS2)=CC(C(=O)[O-])=C1	REAL300018348874	0	32	-1.0	-53.00	310.36	4.91	-48.09
COCC1=CC(NCC2=CC(OC)=NS2)=CC(C(=O)[O-])=C1	REAL300018348875	0	36	-1.0	-51.75	325.91	3.28	-48.47
COCC1=CC(NCC2=CN=C3C=CC(Br)=CN23)=CC(C(=O)[O-])=C1	REAL300018348876	0	39	-1.0	-53.32	356.72	8.39	-44.93
COCC1=CC(NCC2=NC=CC3=CC=CC=C32)=CC(C(=O)[O-])=C1	REAL300018348877	0	41	-1.0	-56.16	346.32	7.65	-48.51
COCC1=CC(NCC2=C(Cl)C=CC=C2OC)=CC(C(=O)[O-])=C1	REAL300018348878	0	40	-1.0	-57.73	350.81	7.13	-50.60
COCC1=CC(NCC2=CN=C(C)N2C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018348879	0	46	-1.0	-54.84	387.62	9.63	-45.21
CCN(C1=CC=CC=C1)C1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1	REAL300018348880	0	54	-1.0	-53.75	443.43	12.13	-41.62
CCCN1N=C(C)C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)=C1C	REAL300018348881	0	48	-1.0	-54.92	393.80	7.75	-47.17
CCN(CC)C1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1F	REAL300018348882	0	50	-1.0	-53.33	407.87	8.42	-44.91
CCOC1CC(NC2=CC(COC)=CC(C(=O)[O-])=C2)C12CCCC2	REAL300018348883	0	50	-1.0	-52.43	388.98	8.36	-44.07
COCC1=CC(NCC2=CC(OC)=C(OC)C=C2SC)=CC(C(=O)[O-])=C1	REAL300018348884	0	48	-1.0	-56.98	404.93	7.46	-49.52
COCC1=CC(NC2CCN(C3=CC=C(N(C)C)C=C3)CC2)=CC(C(=O)[O-])=C1	REAL300018348885	0	56	-1.0	-56.41	429.47	8.26	-48.15
COCC1=CC(NC(C)CCC2=CC=CC=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300018348886	0	47	-1.0	-57.10	385.90	10.17	-46.93
COCC1=CC(NC2CCCC23CCCC3)=CC(C(=O)[O-])=C1	REAL300018348887	0	46	-1.0	-56.49	346.54	9.06	-47.43
CCCC(CNC1=CC(COC)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300018348888	0	48	-1.0	-54.76	386.97	10.15	-44.61
COCC1=CC(NC2CC(C)CC(C3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300018348889	0	52	-1.0	-54.22	403.19	11.30	-42.92
COCC1=CC(NCC2=CN=C(C3CC3)O2)=CC(C(=O)[O-])=C1	REAL300018348890	0	39	-1.0	-53.40	337.31	4.66	-48.74
COCC1=CC(NCC2=CC(F)=CC=C2OC(C)C)=CC(C(=O)[O-])=C1	REAL300018348891	0	46	-1.0	-55.17	383.20	8.32	-46.85
COCC1=CC(NCC2=NC3=CC=C(F)C=C3S2)=CC(C(=O)[O-])=C1	REAL300018348892	0	38	-1.0	-53.00	346.68	6.87	-46.13
COCC1=CC(NCC2=CC(F)=CC=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300018348893	0	40	-1.0	-54.01	353.18	7.04	-46.97
COCC1=CC(NCC2=CC3=CC=CC=C3C(OC)=C2)=CC(C(=O)[O-])=C1	REAL300018348894	0	46	-1.0	-54.56	383.07	8.97	-45.59
CCOC1=CN=CC(CNC2=CC(COC)=CC(C(=O)[O-])=C2)=C1	REAL300018348895	0	42	-1.0	-53.59	354.88	5.76	-47.83
CCOC1=CC(F)=CC(CNC2=CC(COC)=CC(C(=O)[O-])=C2)=C1	REAL300018348896	0	43	-1.0	-52.79	366.36	7.65	-45.14
COCC1=CC(NCC(C)C2=CC=C(OC)C=C2)=CC(C(=O)[O-])=C1	REAL300018348897	0	46	-1.0	-56.01	375.17	8.00	-48.01
COCC1=CC(NCC2=CC(C3CC3)=NN2C)=CC(C(=O)[O-])=C1	REAL300018348898	0	43	-1.0	-52.62	360.92	7.00	-45.62
COCC1=CC(NC2CCC3(CCCCC3)CC2)=CC(C(=O)[O-])=C1	REAL300018348900	0	52	-1.0	-54.74	378.02	9.43	-45.31
COCC1=CC(NC(C)C(C)C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018348901	0	45	-1.0	-55.35	363.10	9.26	-46.09
COCC1=CC(NC2CC3=C(C2)C2=CC=CC=C2N3)=CC(C(=O)[O-])=C1	REAL300018348902	0	44	-1.0	-55.86	362.77	8.60	-47.26
COCC1=CC(NCC2=CC=CC3=C(OC)C=CC=C23)=CC(C(=O)[O-])=C1	REAL300018348904	0	46	-1.0	-54.74	379.80	8.82	-45.92
COCC1=CC(NCC2=CC=NN2CC2CC2)=CC(C(=O)[O-])=C1	REAL300018348905	0	43	-1.0	-51.82	362.68	7.35	-44.47
COCC1=CC(NC(C)CCC2=CC=CN=C2)=CC(C(=O)[O-])=C1	REAL300018348906	0	44	-1.0	-55.45	364.70	7.96	-47.49
COCC1=CC(NCC2=CC=CC(C(C)C)=C2)=CC(C(=O)[O-])=C1	REAL300018348907	0	45	-1.0	-52.96	368.82	9.28	-43.68
COCC1=CC(NCC2=CC=C(S(N)(=O)=O)O2)=CC(C(=O)[O-])=C1	REAL300018348908	0	38	-1.0	-58.45	345.96	0.50	-57.95
COCC1=CC(NC2CC=C(C3=CC=C(F)C=C3)CC2)=CC(C(=O)[O-])=C1	REAL300018348909	0	47	-1.0	-55.73	388.87	10.56	-45.17
COCC1=CC(NC2CCC3(CCOCC3)CC2)=CC(C(=O)[O-])=C1	REAL300018348910	0	50	-1.0	-55.20	369.62	7.09	-48.11
COCC1=CC(NCC2=CN=CC(OC)=C2C)=CC(C(=O)[O-])=C1	REAL300018348911	0	42	-1.0	-53.57	349.43	5.60	-47.97
COCC1=CC(NCC2=CC=CC(Cl)=C2N)=CC(C(=O)[O-])=C1	REAL300018348912	0	38	-1.0	-51.51	334.87	5.86	-45.65
COCC1=CC(NCCC2=CC=C(F)C=C2Cl)=CC(C(=O)[O-])=C1	REAL300018348913	0	39	-1.0	-55.64	350.25	8.62	-47.02
COCC1=CC(NCC2=CC3=CN=CC=C3O2)=CC(C(=O)[O-])=C1	REAL300018348914	0	38	-1.0	-53.68	331.20	6.14	-47.54
COCC1=CC(NCC2=CC=C(C(F)(F)F)S2)=CC(C(=O)[O-])=C1	REAL300018348915	0	36	-1.0	-51.43	339.46	7.65	-43.78
COCC1=CC(NCC2=CC3=C(C)C=CC=C3N2)=CC(C(=O)[O-])=C1	REAL300018348916	0	43	-1.0	-53.11	361.43	7.93	-45.18
CCOC1CCC(NC2=CC(COC)=CC(C(=O)[O-])=C2)CC1	REAL300018348917	0	46	-1.0	-53.43	359.32	7.21	-46.22
COCC1=CC(NCC2=CSC(C(F)(F)F)=C2)=CC(C(=O)[O-])=C1	REAL300018348918	0	36	-1.0	-51.87	339.21	7.49	-44.38
CCCOC1=CC=C(CNC2=CC(COC)=CC(C(=O)[O-])=C2)C(C)=C1	REAL300018348919	0	49	-1.0	-53.05	398.55	9.12	-43.93
COCC1=CC(NCC2=CC=C(OC)C(OC3CC3)=C2)=CC(C(=O)[O-])=C1	REAL300018348920	0	48	-1.0	-55.27	398.38	8.23	-47.04
COCC1=CC(NC2CCC3(CCCC3)CC2)=CC(C(=O)[O-])=C1	REAL300018348921	0	49	-1.0	-54.81	367.40	9.10	-45.71
COCC1=CC(NCC2=CC=C(C(F)F)N=C2)=CC(C(=O)[O-])=C1	REAL300018348922	0	38	-1.0	-52.40	338.01	6.44	-45.96
COCC1=CC(NC2CCC3=CC=CC=C3CC2)=CC(C(=O)[O-])=C1	REAL300018348923	0	46	-1.0	-54.75	361.13	9.50	-45.25
COCC1=CC(NCC2=NC=C(Br)S2)=CC(C(=O)[O-])=C1	REAL300018348924	0	32	-1.0	-51.08	315.08	5.22	-45.86
CCC1(C)CCC(NC2=CC(COC)=CC(C(=O)[O-])=C2)CC1	REAL300018348925	0	48	-1.0	-53.82	353.22	8.62	-45.20
COCC1=CC(NC2CCCC3=CC=CC=C3C2)=CC(C(=O)[O-])=C1	REAL300018348926	0	46	-1.0	-59.74	363.24	9.61	-50.13
COCC1=CC(NCC2=CN(C)N=C2C(F)F)=CC(C(=O)[O-])=C1	REAL300018348927	0	39	-1.0	-56.46	341.85	6.15	-50.31
COCC1=CC(NC(C)C2CCCCCC2)=CC(C(=O)[O-])=C1	REAL300018348928	0	48	-1.0	-53.94	357.82	8.86	-45.08
COCC1=CC(NC(C)C2=CC=C(C3=CC=CC=C3)C=N2)=CC(C(=O)[O-])=C1	REAL300018348929	0	48	-1.0	-54.23	395.42	9.92	-44.31
CCC1(CC)CCC(NC2=CC(COC)=CC(C(=O)[O-])=C2)CC1	REAL300018348930	0	51	-1.0	-54.87	372.06	8.81	-46.06
COCC1=CC(NCC2=CC=CC3=C2CCOC3)=CC(C(=O)[O-])=C1	REAL300018348931	0	44	-1.0	-53.77	358.44	7.27	-46.50
COCC1=CC(NCC2CC2C2=CC=C(F)C=C2)=CC(C(=O)[O-])=C1	REAL300018348932	0	43	-1.0	-54.04	364.05	9.56	-44.48
COCC1=CC(NC(C)CC2=COC3=CC=CC=C23)=CC(C(=O)[O-])=C1	REAL300018348933	0	45	-1.0	-58.73	372.30	9.33	-49.40
COCC1=CC(NCC2=CC=CC(S(N)(=O)=O)=C2)=CC(C(=O)[O-])=C1	REAL300018348934	0	41	-1.0	-59.43	362.77	2.31	-57.12
CCCN1N=CC=C1CNC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018348935	0	42	-1.0	-51.83	351.74	6.58	-45.25
COCC1=CC(NCC2=CC3=CC=C(C)C=C3N2)=CC(C(=O)[O-])=C1	REAL300018348936	0	43	-1.0	-53.15	361.85	7.94	-45.21
COCC1=CC(NCC2=C3CCCN3N=C2)=CC(C(=O)[O-])=C1	REAL300018348937	0	40	-1.0	-56.58	335.12	5.96	-50.62
COCC1=CC(NCC2=NN3CCCC3=C2)=CC(C(=O)[O-])=C1	REAL300018348938	0	40	-1.0	-58.39	335.13	5.86	-52.53
COCC1=CC(NCC2=NC=C(C(F)(F)F)S2)=CC(C(=O)[O-])=C1	REAL300018348939	0	35	-1.0	-50.93	334.24	5.66	-45.27
COCC1=CC(NCC2=CC=CC(F)=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300018348940	0	40	-1.0	-56.48	353.18	7.05	-49.43
COCC1=CC(NCC2=C(C)C=CC([N+](=O)[O-])=C2C)=CC(C(=O)[O-])=C1	REAL300018348941	0	44	-1.0	-54.39	365.27	8.90	-45.49
COCC1=CC(NC2CCCCC(C3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300018348942	0	52	-1.0	-56.05	398.32	10.82	-45.23
COCC1=CC(NCC2=CC3=CC=CN=C3O2)=CC(C(=O)[O-])=C1	REAL300018348943	0	38	-1.0	-57.54	331.25	4.82	-52.72
COCC1=CC(NCC2=CC=C(C3=CC(C)=CC(C)=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300018348944	0	52	-1.0	-54.13	425.62	12.10	-42.03
COCC1=CC(NC2CCCC2C2=CC=C(Cl)C=C2)=CC(C(=O)[O-])=C1	REAL300018348945	0	46	-1.0	-52.71	380.03	10.66	-42.05
COCC1=CC(NCC2=CC=C(N3C=NC=N3)C(C)=C2)=CC(C(=O)[O-])=C1	REAL300018348946	0	45	-1.0	-56.76	377.54	10.81	-45.95
CCC1CCCC(NC2=CC(COC)=CC(C(=O)[O-])=C2)CC1	REAL300018348947	0	48	-1.0	-55.47	358.16	8.61	-46.86
COCC1=CC(NC2CCCC(C)(C)CC2)=CC(C(=O)[O-])=C1	REAL300018348948	0	48	-1.0	-54.71	357.50	8.31	-46.40
COCC1=CC(NC2CCCC(C(C)(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300018348949	0	54	-1.0	-55.77	389.71	9.43	-46.34
COCC1=CC(NCC2=CC3=CC(F)=CC=C3O2)=CC(C(=O)[O-])=C1	REAL300018348950	0	39	-1.0	-52.54	342.89	7.94	-44.60
COCC1=CC(NCC2=CC=C(OCC(F)F)C=C2)=CC(C(=O)[O-])=C1	REAL300018348951	0	43	-1.0	-57.63	372.96	7.91	-49.72
COCC1=CC(NCC2=CC3=C(C=C2OC(F)F)OCO3)=CC(C(=O)[O-])=C1	REAL300018348952	0	43	-1.0	-55.78	372.84	5.64	-50.14
COCC1=CC(NCC2=CC=C(OC)C=C2Br)=CC(C(=O)[O-])=C1	REAL300018348953	0	40	-1.0	-54.03	356.54	7.15	-46.88
COCC1=CC=CC(CNC2=CC(COC)=CC(C(=O)[O-])=C2)=C1	REAL300018348954	0	43	-1.0	-54.80	363.66	7.08	-47.72
COCC1=CC(NCC2=CN(C3=CC=C(Cl)C=C3)N=C2C)=CC(C(=O)[O-])=C1	REAL300018348955	0	46	-1.0	-53.99	405.48	9.65	-44.34
COCC1=CC(NCC2=CSC(CN(C)C)=N2)=CC(C(=O)[O-])=C1	REAL300018348956	0	43	-1.0	-54.22	371.15	4.03	-50.19
COCC1=CC(NCC2=CC=C(SC3=CC=CC=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300018348957	0	47	-1.0	-53.16	409.19	11.46	-41.70
COCC1=CC(NCC2=CC(C)=C(C)C=C2OC(F)F)=CC(C(=O)[O-])=C1	REAL300018348958	0	46	-1.0	-55.55	385.19	8.18	-47.37
CCC(CC1=CC=C(OC)C(OC)=C1)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018348959	0	53	-1.0	-63.38	427.23	9.09	-54.29
COCC1=CC(NCC2=CC(OC)=C(OC)C=C2C)=CC(C(=O)[O-])=C1	REAL300018348960	0	47	-1.0	-55.21	384.44	7.28	-47.93
COCC1=CC(NCC2=CC=CC=C2C2CC2)=CC(C(=O)[O-])=C1	REAL300018348961	0	43	-1.0	-53.67	353.98	9.41	-44.26
COCC1=CC(NCC2=CC(Cl)=CC(Cl)=C2[N+](=O)[O-])=CC(C(=O)[O-])=C1	REAL300018348962	0	38	-1.0	-55.32	370.67	9.21	-46.11
COCC1=CC(NCC2=CC(Br)=C(C)S2)=CC(C(=O)[O-])=C1	REAL300018348963	0	36	-1.0	-51.57	341.18	7.85	-43.72
COCC1=CC(NCCC2=CC=C(F)C=C2F)=CC(C(=O)[O-])=C1	REAL300018348964	0	39	-1.0	-56.31	341.96	8.25	-48.06
COCC1=CC(NCCC2=CC(C)=CC(C)=C2)=CC(C(=O)[O-])=C1	REAL300018348965	0	45	-1.0	-55.46	372.91	9.46	-46.00
COCC1=CC(NCC2=CNN=C2C2=CC=CC(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300018348966	0	43	-1.0	-56.80	378.91	8.38	-48.42
COCC1=CC(NC2CCCCC2C2=CC=CC=C2Cl)=CC(C(=O)[O-])=C1	REAL300018348967	0	49	-1.0	-56.56	391.51	11.68	-44.88
COCC1=CC(NC(C)CC2=CC=C(OC)C(OC)=C2C)=CC(C(=O)[O-])=C1	REAL300018348968	0	53	-1.0	-59.84	422.13	8.66	-51.18
COCC1=CC(NCC2=CN(C3=CC=C(OC)C=C3)N=C2)=CC(C(=O)[O-])=C1	REAL300018348969	0	47	-1.0	-56.14	396.92	7.86	-48.28
COCC1=CC(NC(C)CCC2=CSC=C2)=CC(C(=O)[O-])=C1	REAL300018348970	0	42	-1.0	-54.18	359.85	8.67	-45.51
COCCC1=CC=C(OCC(C)NC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1	REAL300018348971	0	53	-1.0	-53.51	432.52	8.28	-45.23
CCC(CC1=CC=C(Br)C=C1)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300018348972	0	45	-1.0	-56.61	379.28	9.94	-46.67
COCC1=CC(NCC2=CN(C3=CC=CC=C3Cl)N=C2C)=CC(C(=O)[O-])=C1	REAL300018348973	0	46	-1.0	-56.86	400.86	9.82	-47.04
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COC1=CC=CC([C@H](NCC2=CC3=CC=CC=C3S2)C(=O)[O-])=C1	REAL300018351495	0	39	-1.0	-54.66	343.34	8.73	-45.93
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COC1=CC=CC([C@H](NCC2=C(C)SC(C)=C2)C(=O)[O-])=C1	REAL300018351602	0	39	-1.0	-52.05	334.86	7.73	-44.32
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COC1=CC=CC([C@H](NCC2=CC(Cl)=CC(Cl)=C2OC)C(=O)[O-])=C1	REAL300018351604	1	40	-1.0	-48.81	367.16	7.62	-41.19
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COC1=CC=CC([C@H](NCC2=CC(OC)=CC3=C2OC(C)C3)C(=O)[O-])=C1	REAL300018351623	1	48	-1.0	-56.28	392.38	7.05	-49.23
COC1=CC=CC([C@H](NCC2=NN(C)C3=CC=CC=C23)C(=O)[O-])=C1	REAL300018351624	0	42	-1.0	-58.88	354.57	7.11	-51.77
COC1=CC=CC([C@H](NCC2=NC=CN2CC(F)(F)F)C(=O)[O-])=C1	REAL300018351627	0	39	-1.0	-55.00	341.72	6.62	-48.38
COC1=CC=CC([C@H](NCC2=CSC(C3=CC=C4OCOC4=C3)=N2)C(=O)[O-])=C1	REAL300018351630	0	45	-1.0	-57.91	396.82	6.64	-51.27
COC1=CC=CC([C@H](NCC2=COC(C3=CC=CC=C3)=N2)C(=O)[O-])=C1	REAL300018351632	0	42	-1.0	-60.66	361.28	5.63	-55.03
COC1=CC=CC([C@H](NCC2=CSC(C3=CC=CS3)=N2)C(=O)[O-])=C1	REAL300018351633	0	39	-1.0	-59.88	361.10	7.02	-52.86
COC1=CC=CC([C@H](NCC2=CC=C(Br)C=C2Cl)C(=O)[O-])=C1	REAL300018351636	1	36	-1.0	-48.63	340.13	8.24	-40.39
COC1=CC=CC([C@H](NCC2=CN=C(N(C)C)N2C)C(=O)[O-])=C1	REAL300018351638	0	44	-1.0	-50.22	364.60	6.24	-43.98
COC1=CC=CC([C@H](NCC2=NC(C3=CC=CC=C3)=CN2)C(=O)[O-])=C1	REAL300018351639	0	43	-1.0	-62.01	363.54	7.51	-54.50
COC1=CC=CC([C@H](NCC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)C(=O)[O-])=C1	REAL300018351645	0	44	-1.0	-55.18	397.67	8.65	-46.53
COC1=CC=CC([C@H](NCC2=CC3=C(C=C2OC)OCO3)C(=O)[O-])=C1	REAL300018351650	1	43	-1.0	-55.12	358.91	5.20	-49.92
COC1=CC=CC([C@H](NCC2=CC(OC)=C(OC)C=C2Cl)C(=O)[O-])=C1	REAL300018351651	1	44	-1.0	-52.90	379.05	6.84	-46.06
COC1=C(CN[C@H](C(=O)[O-])C2=CC(OC)=CC=C2)SC=C1	REAL300018351652	0	37	-1.0	-56.03	326.08	5.60	-50.43
COC1=CC=CC([C@H](NCC2=CC=CC3=C2OC(C)(C)C3)C(=O)[O-])=C1	REAL300018351657	1	47	-1.0	-57.52	383.13	8.41	-49.11
COC1=CC=CC([C@H](NCC2=NC3=C(CCCC3)S2)C(=O)[O-])=C1	REAL300018351658	0	42	-1.0	-49.89	353.03	6.86	-43.03
COC1=CC=CC([C@H](NCC2=CC=NC=C2Br)C(=O)[O-])=C1	REAL300018351659	0	35	-1.0	-49.43	317.82	5.96	-43.47
COC1=CC=CC([C@H](NCC2=CC=NC=C2Cl)C(=O)[O-])=C1	REAL300018351660	1	35	-1.0	-49.51	314.20	5.85	-43.66
CCC1=NC=C(CN[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=N1	REAL300018351663	1	40	-1.0	-46.24	336.42	5.71	-40.53
COC1=CC=CC([C@H](NCC2=CC(C)=C(Br)S2)C(=O)[O-])=C1	REAL300018351666	0	36	-1.0	-50.01	336.13	7.63	-42.38
COC1=CC=CC([C@H](NCC2=CC3=CC(Br)=CC=C3O2)C(=O)[O-])=C1	REAL300018351667	0	39	-1.0	-48.88	353.68	8.26	-40.62
COC1=CC=CC([C@H](NCC2=CN=C3CCCN23)C(=O)[O-])=C1	REAL300018351668	0	40	-1.0	-53.70	330.63	6.78	-46.92
COC1=CC=CC([C@H](NCC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])=C1	REAL300018351672	1	46	-1.0	-47.12	376.14	7.08	-40.04
COC1=CC=CC([C@H](NCC2=CC=C(C)C=C2Cl)C(=O)[O-])=C1	REAL300018351674	1	39	-1.0	-52.65	340.24	8.29	-44.36
COC1=CC=CC([C@H](NCC2=CC=C([N+](=O)[O-])C(Cl)=C2)C(=O)[O-])=C1	REAL300018351675	1	38	-1.0	-45.65	345.04	8.20	-37.45
COC1=CC=CC([C@H](NCC2=CN=C(C3=CC=C(C)C=C3)S2)C(=O)[O-])=C1	REAL300018351679	0	45	-1.0	-49.79	390.96	8.81	-40.98
COC1=CC=CC([C@H](NCC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])=C1	REAL300018351681	1	41	-1.0	-58.81	357.21	8.05	-50.76
COC1=CC=CC([C@H](NCC2=CC=C([N+](=O)[O-])C=C2Cl)C(=O)[O-])=C1	REAL300018351683	0	38	-1.0	-46.11	345.75	8.31	-37.80
COC1=CC=CC([C@H](NCC2=CC=C(C3=C(F)C=CC=C3F)O2)C(=O)[O-])=C1	REAL300018351684	0	43	-1.0	-61.13	380.68	9.23	-51.90
COC1=CC=CC([C@H](NCC2=CC=C(C3=CC=C(F)C=C3C)O2)C(=O)[O-])=C1	REAL300018351685	0	46	-1.0	-54.41	393.12	9.82	-44.59
CCC1=CC=C(C2=CC=C(CN[C@H](C(=O)[O-])C3=CC=CC(OC)=C3)O2)C=C1	REAL300018351686	0	49	-1.0	-57.61	409.06	10.50	-47.11
COCC1=CC=C(CN[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)O1	REAL300018351693	0	40	-1.0	-52.12	340.71	5.16	-46.96
COC1=CC=CC([C@H](NCC2=CC=C(C)C=C2OC)C(=O)[O-])=C1	REAL300018351699	1	43	-1.0	-56.19	355.69	7.20	-48.99
COC1=CC=CC([C@H](NCC2=CC(Cl)=CC(Cl)=C2N)C(=O)[O-])=C1	REAL300018351700	1	38	-1.0	-48.27	346.58	6.27	-42.00
COCC1=CSC(CN[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018351702	0	40	-1.0	-52.99	351.48	6.01	-46.98
CCCC1=CC=C(CN[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300018351703	0	42	-1.0	-52.81	361.02	8.64	-44.17
COC1=CC=CC([C@H](NCC2=NC=CN2C(C)C)C(=O)[O-])=C1	REAL300018351704	0	42	-1.0	-54.60	345.37	6.93	-47.67
COC1=CC=CC([C@H](NCC2=NN(C3=CC=CC=C3)C=C2)C(=O)[O-])=C1	REAL300018351709	0	43	-1.0	-62.88	364.84	8.30	-54.58
COC1=CC=CC([C@H](NCC2=CN=C(C(F)(F)F)S2)C(=O)[O-])=C1	REAL300018351710	0	35	-1.0	-43.31	329.54	5.53	-37.78
CCC1=NN(C)C=C1CN[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351711	1	42	-1.0	-52.16	348.84	6.33	-45.83
COC1=CC=CC([C@H](NCC2=NN3CCCCC3=C2)C(=O)[O-])=C1	REAL300018351712	0	43	-1.0	-60.91	350.30	6.58	-54.33
COC1=NC=C(CN[C@H](C(=O)[O-])C2=CC(OC)=CC=C2)S1	REAL300018351713	0	36	-1.0	-50.54	323.47	2.78	-47.76
COC1=CC=CC([C@H](NCC2=CC3=C(C=N2)OCCO3)C(=O)[O-])=C1	REAL300018351715	0	41	-1.0	-58.00	345.36	4.53	-53.47
COC1=CC=CC([C@H](NCC2=CN=C(Cl)N2C)C(=O)[O-])=C1	REAL300018351718	1	36	-1.0	-46.43	320.99	6.06	-40.37
COC1=CC=CC([C@H](NCC2=CN=C(Br)N2C)C(=O)[O-])=C1	REAL300018351719	1	36	-1.0	-46.60	325.28	6.09	-40.51
COC1=CC=CC([C@H](NCC2=CN(C3=CC=C(F)C=C3)N=N2)C(=O)[O-])=C1	REAL300018351720	0	42	-1.0	-56.03	363.83	7.02	-49.01
COC1=CC=CC([C@H](NCC2=CC(C(F)(F)F)=NN2)C(=O)[O-])=C1	REAL300018351721	1	36	-1.0	-42.96	325.43	4.50	-38.46
CCOC1=CC=CC(CN[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300018351724	0	42	-1.0	-54.04	353.56	4.70	-49.34
COC1=CC=CC([C@H](NCC2=CC3=CC=NC=C3S2)C(=O)[O-])=C1	REAL300018351726	0	38	-1.0	-51.67	336.77	6.96	-44.71
COC1=CC=CC([C@H](NCC2=NC=C(C)C(OC)=C2C)C(=O)[O-])=C1	REAL300018351737	0	45	-1.0	-53.63	368.42	5.98	-47.65
COC1=CC=CC([C@H](NCC2=CC3=CC=CC=C3C=C2OC)C(=O)[O-])=C1	REAL300018351738	1	46	-1.0	-52.61	377.70	8.72	-43.89
COC1=CC=CC([C@H](NCC2=CC=C(S(C)(=O)=O)S2)C(=O)[O-])=C1	REAL300018351739	0	39	-1.0	-55.47	356.53	3.80	-51.67
COC1=CC=CC([C@H](NCC2=C3N=CC(Br)=CN3N=C2)C(=O)[O-])=C1	REAL300018351740	1	38	-1.0	-53.87	348.55	6.73	-47.14
COC1=CC=CC([C@H](NCC2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)C(=O)[O-])=C1	REAL300018351741	0	55	-1.0	-56.87	440.98	11.41	-45.46
COC1=CC=CC([C@H](NCC2=CC3=CC(Cl)=CN=C3O2)C(=O)[O-])=C1	REAL300018351745	0	38	-1.0	-51.67	343.93	5.09	-46.58
COC1=CC=CC([C@H](NCC2=NC(Cl)=CS2)C(=O)[O-])=C1	REAL300018351747	0	32	-1.0	-47.75	307.69	4.74	-43.01
COC1=NSC(CN[C@H](C(=O)[O-])C2=CC(OC)=CC=C2)=C1	REAL300018351748	0	36	-1.0	-45.33	320.78	3.03	-42.30
COC1=CC=CC([C@H](NCC2=NC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300018351750	0	41	-1.0	-55.56	342.27	7.41	-48.15
COC1=CC=CC([C@H](NCC2=CC(OC)=C(OC)C=C2SC)C(=O)[O-])=C1	REAL300018351753	1	48	-1.0	-56.59	400.48	7.33	-49.26
COC1=CC=CC([C@H](NCC2=CN=C(C3CC3)O2)C(=O)[O-])=C1	REAL300018351757	0	39	-1.0	-54.19	334.64	4.49	-49.70
COC1=CC=CC([C@H](NCC2=NC3=CC=C(F)C=C3S2)C(=O)[O-])=C1	REAL300018351758	0	38	-1.0	-46.80	341.53	6.63	-40.17
CCOC1=CN=CC(CN[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018351760	1	42	-1.0	-48.13	349.75	5.51	-42.62
COC1=CC=CC([C@H](NCC2=CC(C3CC3)=NN2C)C(=O)[O-])=C1	REAL300018351763	0	43	-1.0	-46.59	356.69	6.81	-39.78
COC1=CC=CC([C@H](NCC2=CC=NN2CC2CC2)C(=O)[O-])=C1	REAL300018351769	0	43	-1.0	-46.84	359.18	7.18	-39.66
COC1=CC=CC([C@H](NCC2=CC=C(S(N)(=O)=O)O2)C(=O)[O-])=C1	REAL300018351772	0	38	-1.0	-60.61	343.07	0.38	-60.23
COC1=CC=CC([C@H](NCC2=CC3=CN=CC=C3O2)C(=O)[O-])=C1	REAL300018351777	0	38	-1.0	-54.73	328.56	5.98	-48.75
COC1=CC=CC([C@H](NCC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018351781	1	36	-1.0	-44.01	334.06	7.26	-36.75
COC1=CC=CC([C@H](NCC2=NC=C(Br)S2)C(=O)[O-])=C1	REAL300018351787	0	32	-1.0	-47.19	312.41	5.05	-42.14
COC1=CC=CC([C@H](NCC2=CN(C)N=C2C(F)F)C(=O)[O-])=C1	REAL300018351790	1	39	-1.0	-53.42	335.05	5.86	-47.56
COC1=CC=CC([C@H](NC(C)C2=CC=C(C3=CC=CC=C3)C=N2)C(=O)[O-])=C1	REAL300018351792	0	48	-1.0	-55.45	393.15	9.70	-45.75
COC1=CC=CC([C@H](NCC2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])=C1	REAL300018351797	1	41	-1.0	-53.90	358.70	2.06	-51.84
CCCN1N=CC=C1CN[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351798	0	42	-1.0	-46.29	343.76	6.39	-39.90
COC1=CC=CC([C@H](NCC2=C3CCCN3N=C2)C(=O)[O-])=C1	REAL300018351800	1	40	-1.0	-53.06	329.97	5.72	-47.34
COC1=CC=CC([C@H](NCC2=NN3CCCC3=C2)C(=O)[O-])=C1	REAL300018351801	0	40	-1.0	-62.62	332.48	5.69	-56.93
COC1=CC=CC([C@H](NCC2=NC=C(C(F)(F)F)S2)C(=O)[O-])=C1	REAL300018351802	0	35	-1.0	-45.61	330.25	5.51	-40.10
COC1=CC=CC([C@H](NCC2=CC3=CC=CN=C3O2)C(=O)[O-])=C1	REAL300018351804	0	38	-1.0	-60.80	327.29	4.67	-56.13
COC1=CC=CC([C@H](NCC2=CC3=CC(F)=CC=C3O2)C(=O)[O-])=C1	REAL300018351810	0	39	-1.0	-48.92	338.81	7.71	-41.21
COC1=CC=CC([C@H](NCC2=CC3=C(C=C2OC(F)F)OCO3)C(=O)[O-])=C1	REAL300018351812	1	43	-1.0	-53.92	368.72	5.48	-48.44
COC1=CC=CC([C@H](NCC2=CC=C(OC)C=C2Br)C(=O)[O-])=C1	REAL300018351813	1	40	-1.0	-50.79	350.60	7.03	-43.76
COC1=CC=CC([C@H](NCC2=CN(C3=CC=C(Cl)C=C3)N=C2C)C(=O)[O-])=C1	REAL300018351815	1	46	-1.0	-50.74	400.09	9.52	-41.22
COC1=CC=CC([C@H](NCC2=CSC(CN(C)C)=N2)C(=O)[O-])=C1	REAL300018351816	0	43	-1.0	-57.25	368.26	3.93	-53.32
COC1=CC=CC([C@H](NCC2=CC(Br)=C(C)S2)C(=O)[O-])=C1	REAL300018351821	0	36	-1.0	-49.74	337.51	7.63	-42.11
COC1=CC=C(N2C=C(CN[C@H](C(=O)[O-])C3=CC=CC(OC)=C3)C=N2)C=C1	REAL300018351825	1	47	-1.0	-53.02	394.24	7.69	-45.33
COC1=CC=CC([C@H](NCC2=CN(C3=CC=CC=C3Cl)N=C2C)C(=O)[O-])=C1	REAL300018351829	1	46	-1.0	-51.29	395.88	9.55	-41.74
COC1=CC=CC([C@H](NCC2=CC(C3=CC=CC=N3)=NN2)C(=O)[O-])=C1	REAL300018351832	1	42	-1.0	-55.93	360.83	5.44	-50.49
COC1=CC=CC([C@H](NCC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)C(=O)[O-])=C1	REAL300018351842	0	49	-1.0	-51.37	402.41	8.57	-42.80
COC1=CC=CC([C@H](NCC2=NC3=CC(C(F)(F)F)=CC=C3N2C)C(=O)[O-])=C1	REAL300018351843	0	45	-1.0	-53.59	390.38	8.49	-45.10
COC1=CC=CC([C@H](NCC2=NC3=C(CC(C)CC3)S2)C(=O)[O-])=C1	REAL300018351844	0	45	-1.0	-51.17	373.94	7.55	-43.62
CCC1=CN=C(CN[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300018351845	0	38	-1.0	-50.24	332.80	5.92	-44.32
COC1=CC=CC([C@H](NCC2=NOC(C3CCC3)=C2)C(=O)[O-])=C1	REAL300018351853	0	42	-1.0	-58.02	349.32	7.39	-50.63
COC1=CC=CC([C@H](NCC2=NOC(C3(C)CC3)=C2)C(=O)[O-])=C1	REAL300018351854	0	42	-1.0	-57.58	353.49	7.34	-50.24
COC1=CC=CC([C@H](NCC2=CN=C3CCCCCN23)C(=O)[O-])=C1	REAL300018351857	0	46	-1.0	-49.30	360.61	7.51	-41.79
COC1=CC=C2SC(CN[C@H](C(=O)[O-])C3=CC(OC)=CC=C3)=CC2=C1	REAL300018351858	0	43	-1.0	-50.75	371.45	7.95	-42.80
COC1=CC=CC([C@H](NCC2=CC(C3=CC=CC=C3)=NO2)C(=O)[O-])=C1	REAL300018351859	0	42	-1.0	-54.94	360.89	8.35	-46.59
COC1=CC=CC([C@H](NCC2=CN=C(C3CCOCC3)O2)C(=O)[O-])=C1	REAL300018351871	0	46	-1.0	-53.52	378.20	3.64	-49.88
COC1=CC=CC([C@H](NCC2=NOC(C3CC3)=C2)C(=O)[O-])=C1	REAL300018351872	0	39	-1.0	-57.36	333.20	6.92	-50.44
COC1=CC=CC([C@H](NCC2=C(C)C(C(F)(F)F)=NN2)C(=O)[O-])=C1	REAL300018351876	1	39	-1.0	-46.89	343.91	5.11	-41.78
COC1=CC=CC([C@H](NCC2=NC(C3CC3)=CS2)C(=O)[O-])=C1	REAL300018351879	0	39	-1.0	-50.10	340.26	6.40	-43.70
COC1=CC=CC([C@H](NCC2=CN(CC3CC3)N=N2)C(=O)[O-])=C1	REAL300018351880	0	42	-1.0	-57.60	353.00	6.01	-51.59
COC1=CC=CC([C@H](NCC2=NC3=C(CCCC3)N2)C(=O)[O-])=C1	REAL300018351882	0	43	-1.0	-54.94	346.40	6.20	-48.74
COC1=CC=CC([C@H](NCC2=CC=C(CC3CC3)S2)C(=O)[O-])=C1	REAL300018351889	0	43	-1.0	-52.25	369.82	9.44	-42.81
COC1=CC=CC([C@H](NCC2=CC=C(OC(F)(F)F)C=C2F)C(=O)[O-])=C1	REAL300018351891	1	40	-1.0	-48.59	357.50	7.00	-41.59
COC1=CC=CC([C@H](NCC2=C(C)C3=CC(F)=CC=C3O2)C(=O)[O-])=C1	REAL300018351897	0	42	-1.0	-49.18	357.30	8.32	-40.86
COC1=CC=CC([C@H](NCC2=CC(C3=CC=CC=C3)=NN2C)C(=O)[O-])=C1	REAL300018351899	0	46	-1.0	-48.27	384.61	8.24	-40.03
CCCN1C=CC(CN[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=N1	REAL300018351900	0	42	-1.0	-56.65	350.42	6.46	-50.19
COC1=CC=CC([C@H](NCC2=NN(C(C)C)C=C2)C(=O)[O-])=C1	REAL300018351901	0	42	-1.0	-56.04	346.55	6.22	-49.82
COC1=CC=CC([C@H](NCC2=NN(CC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300018351903	0	39	-1.0	-59.24	346.79	6.19	-53.05
COC1=CC=CC([C@H](NCC2=NC3=C(CCCC3)N2C)C(=O)[O-])=C1	REAL300018351904	0	46	-1.0	-56.97	366.76	7.78	-49.19
COC1=CC=CC([C@H](NCC2=CC3=CC=CC=C3C=N2)C(=O)[O-])=C1	REAL300018351905	0	41	-1.0	-60.12	347.08	7.60	-52.52
COC1=CC=CC([C@H](NCC2=CC=C(C)C(OC)=N2)C(=O)[O-])=C1	REAL300018351906	0	42	-1.0	-57.81	351.94	4.59	-53.22
COC1=CC=CC([C@H](NCC2=CC=CC(C(F)F)=C2F)C(=O)[O-])=C1	REAL300018351907	1	39	-1.0	-52.43	340.48	8.07	-44.36
CCOC1=CC=C(Cl)C=C1CN[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351909	1	43	-1.0	-54.27	371.56	7.99	-46.28
COC1=CC=CC([C@H](NCC2=CC3=C(CCCC3)O2)C(=O)[O-])=C1	REAL300018351910	0	43	-1.0	-51.72	348.79	7.94	-43.78
CCC(C)N1N=CC=C1CN[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351911	0	45	-1.0	-48.51	365.31	6.94	-41.57
COC1=CC=CC([C@H](NCC2=CN(C3CCCCC3)N=C2)C(=O)[O-])=C1	REAL300018351912	1	49	-1.0	-53.76	389.30	8.25	-45.51
COC1=CC=CC([C@H](NCC2=CC=CC(C(C)(C)C)=C2OC)C(=O)[O-])=C1	REAL300018351914	1	52	-1.0	-51.63	398.51	8.83	-42.80
COC1=CC=CC([C@H](NCC2=NC(Br)=CN2C)C(=O)[O-])=C1	REAL300018351915	0	36	-1.0	-58.21	325.97	6.05	-52.16
COC1=CC=CC([C@H](NCC2=NC3=CC=CC=C3S2)C(=O)[O-])=C1	REAL300018351917	0	38	-1.0	-51.31	336.18	6.57	-44.74
CCCN1C=NC=C1CN[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351921	0	42	-1.0	-47.82	341.87	8.00	-39.82
CCC1=C(CN[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=NN1CC	REAL300018351925	1	45	-1.0	-51.04	362.24	6.91	-44.13
COC1=CC=CC([C@H](NCC2=C(C)OC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300018351926	1	39	-1.0	-57.16	346.64	6.94	-50.22
COC1=CC=CC([C@H](NCC2=CC(C3=CC=NC=C3)=NN2)C(=O)[O-])=C1	REAL300018351941	1	42	-1.0	-47.22	359.13	5.28	-41.94
CCC1=CC=C(CN[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)N=C1	REAL300018351942	0	41	-1.0	-54.14	342.41	6.71	-47.43
COC1=CC=CC([C@H](NCC2=CC=C(C(F)(F)F)C=C2F)C(=O)[O-])=C1	REAL300018351946	1	39	-1.0	-48.42	350.24	8.22	-40.20
COC1=CC=CC([C@H](NCC2=CC(C)=NN2C2CCCC2)C(=O)[O-])=C1	REAL300018351948	0	49	-1.0	-46.89	390.94	8.17	-38.72
COC1=CC=CC([C@H](NCC2=CC=NN2CC(F)F)C(=O)[O-])=C1	REAL300018351949	1	39	-1.0	-44.42	334.36	5.91	-38.51
COC1=CC=CC([C@H](NCC2=CN(C3=CC=CC(F)=C3)N=C2)C(=O)[O-])=C1	REAL300018351951	1	43	-1.0	-52.92	370.95	8.52	-44.40
COC1=CC=CC([C@H](NCC2=NN(C3CCC3)C=C2)C(=O)[O-])=C1	REAL300018351952	0	43	-1.0	-60.45	352.06	6.77	-53.68
COC1=CC=CC([C@H](NCC2=NN(CC(F)F)C=C2)C(=O)[O-])=C1	REAL300018351953	0	39	-1.0	-59.40	340.76	6.02	-53.38
COC1=CC=CC([C@H](NCC2=NN(C3CC3(F)F)C=C2)C(=O)[O-])=C1	REAL300018351954	0	40	-1.0	-60.53	349.36	6.56	-53.97
COC1=CC=CC([C@H](NCC2=NN(C3CCCC3)C=C2)C(=O)[O-])=C1	REAL300018351956	0	46	-1.0	-55.67	369.24	7.47	-48.20
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CN(CC1=CN(CC(=O)[O-])N=N1)CC1=CSC2=CC=CC=C12	REAL300018353734	0	37	-1.0	-50.84	326.09	6.44	-44.40
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CN(CC1=CSC2=CC=CC=C12)CC1=CC=CC(C(=O)[O-])=N1	REAL300018353748	1	37	-1.0	-57.42	324.69	7.82	-49.60
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CN(CC1=CC=C(C=CC(=O)[O-])O1)CC1=CSC2=CC=CC=C12	REAL300018353752	1	39	-1.0	-55.85	346.12	7.78	-48.07
CC1=C(CN(C)CC2=CSC3=CC=CC=C23)C=C(C(=O)[O-])O1	REAL300018353753	1	38	-1.0	-52.77	333.63	8.86	-43.91
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CN(CC1=CSC2=CC=CC=C12)CC1=CN(C)N=C1C(=O)[O-]	REAL300018353757	1	38	-1.0	-58.33	320.33	7.15	-51.18
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CN(CC1=CSC2=CC=CC=C12)CC1=CC=C(C(=O)[O-])C=N1	REAL300018353761	1	37	-1.0	-49.09	323.96	7.80	-41.29
CN(CC1=CSC2=CC=CC=C12)CC1=CC(C(=O)[O-])=NN1C	REAL300018353762	0	38	-1.0	-58.64	332.15	7.34	-51.30
CN(CC1=CC=C(CCC(=O)[O-])O1)CC1=CSC2=CC=CC=C12	REAL300018353763	1	41	-1.0	-47.40	353.64	9.56	-37.84
CN(CC1=CSC2=CC=CC=C12)CC1=CN2N=CC(C(=O)[O-])=C2N=C1	REAL300018353766	0	40	-1.0	-63.43	351.75	8.58	-54.85
CN(CC1=CSC2=CC=CC=C12)CC1=CC=C(C(=O)[O-])N=C1	REAL300018353767	1	37	-1.0	-54.72	315.58	7.41	-47.31
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CN(CC1=CSC2=CC=CC=C12)CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300018353769	0	38	-1.0	-43.75	328.51	9.26	-34.49
CN(CC1=CSC2=CC=CC=C12)CC1=CN=C2C=CC(C(=O)[O-])=CN12	REAL300018353770	1	41	-1.0	-46.21	342.93	9.54	-36.67
CC1=CC(C(=O)[O-])=NC=C1CN(C)CC1=CSC2=CC=CC=C12	REAL300018353771	1	40	-1.0	-55.79	334.19	8.40	-47.39
CN(CC1=CSC2=CC=CC=C12)CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018353773	1	41	-1.0	-57.54	354.58	9.39	-48.15
CN(CC1=CSC2=CC=CC=C12)CC1=CC=CC(C(=O)[O-])=C1Br	REAL300018353774	0	38	-1.0	-52.16	334.32	9.67	-42.49
CN(CC1=CSC2=CC=CC=C12)CC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300018353775	0	45	-1.0	-47.51	375.86	9.23	-38.28
CN(CC1=CSC2=CC=CC=C12)CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1	REAL300018353776	0	45	-1.0	-52.42	376.42	9.54	-42.88
O=C([O-])C1=CC=C(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)C=C1	REAL300018353780	1	43	-1.0	-56.04	351.67	8.13	-47.91
CC1=C(C(=O)[O-])C=C(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)O1	REAL300018353781	0	43	-1.0	-56.25	354.88	7.19	-49.06
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O=C([O-])C1=COC(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)=C1	REAL300018353783	0	40	-1.0	-55.61	335.28	6.40	-49.21
O=C([O-])CN1C=C(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)N=N1	REAL300018353784	0	42	-1.0	-53.36	349.55	4.92	-48.44
O=C([O-])C1=CC=C(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)O1	REAL300018353785	0	40	-1.0	-54.24	335.00	6.66	-47.58
O=C([O-])C1=CC=C(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)O1	REAL300018353786	0	40	-1.0	-54.24	335.00	6.66	-47.58
O=C([O-])C1=CC=CC(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)=C1	REAL300018353788	1	43	-1.0	-54.94	351.69	8.12	-46.82
O=C([O-])C1=NNC(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)=C1	REAL300018353789	0	40	-1.0	-59.97	334.16	4.57	-55.40
CC1=CC(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300018353790	1	53	-1.0	-54.66	426.84	9.95	-44.71
CC1=NN(CCC(=O)[O-])C(C)=C1CN1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300018353791	0	52	-1.0	-51.67	411.57	7.63	-44.04
O=C([O-])COC1=CC=C(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)C=C1	REAL300018353792	0	47	-1.0	-52.77	382.76	8.40	-44.37
O=C([O-])COC1=CC=C(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)C=C1	REAL300018353793	0	47	-1.0	-52.77	382.76	8.40	-44.37
O=C([O-])C1=CC(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)=CS1	REAL300018353794	0	40	-1.0	-53.15	342.52	7.24	-45.91
O=C([O-])C1=NOC(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)=C1	REAL300018353795	0	39	-1.0	-56.49	329.54	5.70	-50.79
O=C([O-])C1=CC=CC(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)=N1	REAL300018353796	0	42	-1.0	-57.66	348.11	6.29	-51.37
O=C([O-])C1=NOC(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)=C1	REAL300018353797	0	39	-1.0	-56.49	329.54	5.70	-50.79
CC(OC1=CC=C(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)C=C1)C(=O)[O-]	REAL300018353798	0	50	-1.0	-53.46	400.63	9.00	-44.46
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CN1C=C(CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)C(C(=O)[O-])=N1	REAL300018353803	0	43	-1.0	-57.68	343.57	5.58	-52.10
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CN1N=C(C(=O)[O-])C=C1CN1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300018353806	0	43	-1.0	-64.10	355.58	5.83	-58.27
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CC1=CC(C(=O)[O-])=NC=C1CN1CCN(C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300018353813	0	45	-1.0	-60.26	367.22	6.99	-53.27
O=C([O-])C1=CN=C2C(CN3CCN(C4=CC=CC([N+](=O)[O-])=C4)CC3)=CC=CN12	REAL300018353815	0	46	-1.0	-58.97	378.01	7.86	-51.11
O=C([O-])[C@H]1C[C@H](N2C=CC(CN3CCN(C4=CC=CC([N+](=O)[O-])=C4)CC3)=N2)C1	REAL300018353816	0	50	-1.0	-51.49	398.51	7.69	-43.80
O=C([O-])[C@H]1C[C@H](N2N=CC=C2CN2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)C1	REAL300018353817	0	50	-1.0	-59.73	389.43	7.58	-52.15
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O=C([O-])C1=CC=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=C1	REAL300018353819	1	42	-1.0	-51.64	357.55	11.44	-40.20
CC1=C(C(=O)[O-])C=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)O1	REAL300018353820	0	42	-1.0	-51.21	358.56	10.39	-40.82
O=C([O-])C1=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=CO1	REAL300018353821	0	39	-1.0	-51.53	336.96	9.76	-41.77
O=C([O-])C1=COC(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)=C1	REAL300018353823	0	39	-1.0	-50.68	343.52	9.88	-40.80
O=C([O-])CN1C=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)N=N1	REAL300018353825	0	41	-1.0	-48.19	357.19	8.47	-39.72
O=C([O-])C1=CC=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)O1	REAL300018353826	0	39	-1.0	-51.21	340.31	9.92	-41.29
O=C([O-])C1=CC=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)O1	REAL300018353827	0	39	-1.0	-51.21	340.31	9.92	-41.29
O=C([O-])C1=CC=CC(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)=C1	REAL300018353830	1	42	-1.0	-54.43	360.42	11.62	-42.81
O=C([O-])C1=NNC(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)=C1	REAL300018353831	0	39	-1.0	-52.99	341.77	8.07	-44.92
CC1=CC(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018353832	1	52	-1.0	-50.15	435.61	13.46	-36.69
O=C([O-])COC1=CC=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=C1	REAL300018353834	1	46	-1.0	-48.85	388.61	11.72	-37.13
O=C([O-])COC1=CC=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=C1	REAL300018353835	1	46	-1.0	-48.85	388.61	11.72	-37.13
O=C([O-])C1=CC(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)=CS1	REAL300018353836	1	39	-1.0	-48.45	350.95	10.68	-37.77
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O=C([O-])C1=CC=CC(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)=N1	REAL300018353839	0	41	-1.0	-55.84	353.34	9.59	-46.25
O=C([O-])C1=NOC(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)=C1	REAL300018353840	0	38	-1.0	-51.02	337.62	9.17	-41.85
CC(OC1=CC=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300018353843	1	49	-1.0	-49.30	406.50	12.31	-36.99
O=C([O-])C=CC1=CC=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)O1	REAL300018353845	0	43	-1.0	-55.38	374.81	9.52	-45.86
CC1=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=C(C(=O)[O-])O1	REAL300018353848	0	42	-1.0	-51.88	361.38	10.56	-41.32
CC1=C(C(=O)[O-])OC(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)=C1	REAL300018353849	0	42	-1.0	-53.66	361.18	10.72	-42.94
O=C([O-])C1=CC=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=C1Cl	REAL300018353850	1	42	-1.0	-50.08	370.05	11.82	-38.26
CN1C=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)C(C(=O)[O-])=N1	REAL300018353854	0	42	-1.0	-54.40	360.68	9.46	-44.94
CCC1=C(C(=O)[O-])C=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)O1	REAL300018353855	0	45	-1.0	-51.85	380.05	11.17	-40.68
O=C([O-])C1=CC=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)N=C1	REAL300018353858	0	41	-1.0	-48.19	352.72	9.59	-38.60
CN1N=C(C(=O)[O-])C=C1CNC(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300018353860	0	42	-1.0	-55.85	362.26	9.30	-46.55
O=C([O-])CCC1=CC=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)O1	REAL300018353861	0	45	-1.0	-47.72	385.20	11.51	-36.21
O=C([O-])C1=CC(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)=CC=C1F	REAL300018353862	1	42	-1.0	-55.18	362.09	11.45	-43.73
O=C([O-])C1=CC2=C(SC(CNC(C3=CC=CC=C3)C3=CC=C(F)C=C3)=C2)S1	REAL300018353864	1	42	-1.0	-49.72	388.62	12.32	-37.40
O=C([O-])C1=C2N=CC(CNC(C3=CC=CC=C3)C3=CC=C(F)C=C3)=CN2N=C1	REAL300018353865	0	44	-1.0	-62.94	380.34	10.38	-52.56
O=C([O-])C1=CC=C(CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=N1	REAL300018353866	1	41	-1.0	-54.08	353.22	9.63	-44.45
O=C([O-])C1=CN2C(CNC(C3=CC=CC=C3)C3=CC=C(F)C=C3)=CN=C2C=C1	REAL300018353867	0	45	-1.0	-48.34	387.22	12.05	-36.29
CC1=CC(C(=O)[O-])=NC=C1CNC(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300018353868	1	44	-1.0	-54.96	370.79	10.41	-44.55
O=C([O-])C1=CN=C2C(CNC(C3=CC=CC=C3)C3=CC=C(F)C=C3)=CC=CN12	REAL300018353870	1	45	-1.0	-56.83	383.22	11.14	-45.69
O=C([O-])[C@H]1C[C@H](N2C=CC(CNC(C3=CC=CC=C3)C3=CC=C(F)C=C3)=N2)C1	REAL300018353871	0	49	-1.0	-47.51	406.94	11.22	-36.29
O=C([O-])[C@H]1C[C@H](N2N=CC=C2CNC(C2=CC=CC=C2)C2=CC=C(F)C=C2)C1	REAL300018353872	0	49	-1.0	-52.20	408.17	11.53	-40.67
CCNC(=O)C1=CC=CC(CNCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300018353874	1	42	-1.0	-58.35	356.08	6.58	-51.77
CCNC(=O)C1=CC=CC(CNCC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)=C1	REAL300018353875	0	49	-1.0	-65.64	412.25	9.08	-56.56
CCNC(=O)C1=CC=CC(CNCC2=CC(C(=O)[O-])=C(C)O2)=C1	REAL300018353876	0	42	-1.0	-56.44	357.13	5.54	-50.90
CCNC(=O)C1=CC=CC(CNCC2=C(C(=O)[O-])OC=C2)=C1	REAL300018353877	1	39	-1.0	-55.67	335.48	4.79	-50.88
CCNC(=O)C1=CC=CC(CNCC2=CC(C(=O)[O-])=CO2)=C1	REAL300018353879	0	39	-1.0	-56.04	339.15	4.81	-51.23
CCNC(=O)C1=CC=CC(CNCC2=CN(CC(=O)[O-])N=N2)=C1	REAL300018353881	0	41	-1.0	-59.66	352.82	3.39	-56.27
CCNC(=O)C1=CC=CC(CNCC2=CC=C(C(=O)[O-])O2)=C1	REAL300018353882	0	39	-1.0	-61.44	338.89	5.07	-56.37
CCNC(=O)C1=CC=CC(CNCC2=CC=C(C(=O)[O-])O2)=C1	REAL300018353883	0	39	-1.0	-61.44	338.89	5.07	-56.37
CCNC(=O)C1=CC=CC(CNCC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)=C1	REAL300018353884	0	49	-1.0	-60.36	416.02	8.42	-51.94
CCNC(=O)C1=CC=CC(CNCC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)=C1	REAL300018353885	0	49	-1.0	-60.36	416.02	8.42	-51.94
CCNC(=O)C1=CC=CC(CNCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018353887	1	42	-1.0	-55.72	356.08	6.57	-49.15
CCNC(=O)C1=CC=CC(CNCC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])=C1	REAL300018353888	1	49	-1.0	-77.65	413.34	7.73	-69.92
CCNC(=O)C1=CC=CC(CNCC2=CC(C(=O)[O-])=NN2)=C1	REAL300018353889	0	39	-1.0	-59.27	337.48	3.00	-56.27
CCNC(=O)C1=CC=CC(CNCC2=CC(C)=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300018353890	1	52	-1.0	-55.69	431.23	8.39	-47.30
CCNC(=O)C1=CC=CC(CNCC2=C(C)N(CCC(=O)[O-])N=C2C)=C1	REAL300018353892	1	51	-1.0	-54.09	419.44	6.28	-47.81
CCNC(=O)C1=CC=CC(CNCC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018353893	1	46	-1.0	-55.24	387.14	6.85	-48.39
CCNC(=O)C1=CC=CC(CNCC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018353894	1	46	-1.0	-55.24	387.14	6.85	-48.39
CCNC(=O)C1=CC=CC(CNCC2=CSC(C(=O)[O-])=C2)=C1	REAL300018353895	1	39	-1.0	-54.38	346.61	5.63	-48.75
CCNC(=O)C1=CC=CC(CNCC2=CC(C(=O)[O-])=NO2)=C1	REAL300018353897	0	38	-1.0	-57.60	333.29	4.11	-53.49
CCNC(=O)C1=CC=CC(CNCC2=CC=CC(C(=O)[O-])=N2)=C1	REAL300018353898	0	41	-1.0	-64.55	351.92	4.73	-59.82
CCNC(=O)C1=CC=CC(CNCC2=CC(C(=O)[O-])=NO2)=C1	REAL300018353899	0	38	-1.0	-57.60	333.29	4.11	-53.49
CCNC(=O)C1=CC=CC(CNCC2=CC=C(OC(C)C(=O)[O-])C=C2)=C1	REAL300018353900	1	49	-1.0	-55.80	405.01	7.45	-48.35
CCNC(=O)C1=CC=CC(CNCC2=CC=C(C=CC(=O)[O-])O2)=C1	REAL300018353903	0	43	-1.0	-65.73	373.38	4.67	-61.06
CCNC(=O)C1=CC=CC(CNCC2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300018353906	1	42	-1.0	-59.08	359.92	5.69	-53.39
CCNC(=O)C1=CC=CC(CNCC2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300018353907	0	42	-1.0	-62.51	356.86	5.66	-56.85
CCNC(=O)C1=CC=CC(CNCC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300018353908	1	42	-1.0	-55.61	368.59	6.96	-48.65
CCNC(=O)C1=CC=CC(CNCC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)=C1	REAL300018353911	1	45	-1.0	-52.87	386.61	8.04	-44.83
CCNC(=O)C1=CC=CC(CNCC2=CN(C)N=C2C(=O)[O-])=C1	REAL300018353912	1	42	-1.0	-59.98	356.37	4.39	-55.59
CCNC(=O)C1=CC=CC(CNCC2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300018353913	1	42	-1.0	-54.64	372.32	7.06	-47.58
CCNC(=O)C1=CC=CC(CNCC2=CC(C(=O)[O-])=C(CC)O2)=C1	REAL300018353914	0	45	-1.0	-57.00	378.62	6.31	-50.69
CCNC(=O)C1=CC=CC(CNCC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)=C1	REAL300018353917	1	52	-1.0	-62.42	435.36	8.12	-54.30
CCNC(=O)C1=CC=CC(CNCC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300018353918	0	41	-1.0	-54.52	351.22	4.73	-49.79
CCNC(=O)C1=CC=CC(CNCC2=CC(C(=O)[O-])=NN2C)=C1	REAL300018353920	0	42	-1.0	-62.58	357.93	4.24	-58.34
CCNC(=O)C1=CC=CC(CNCC2=CC=C(CCC(=O)[O-])O2)=C1	REAL300018353921	0	45	-1.0	-53.34	380.88	6.45	-46.89
CCNC(=O)C1=CC=CC(CNCC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300018353922	1	42	-1.0	-59.23	360.63	6.60	-52.63
CCNC(=O)C1=CC=CC(CNCC2=CN3N=CC(C(=O)[O-])=C3N=C2)=C1	REAL300018353925	0	44	-1.0	-68.24	378.88	5.52	-62.72
CCNC(=O)C1=CC=CC(CNCC2=CC=C(C(=O)[O-])N=C2)=C1	REAL300018353926	1	41	-1.0	-59.81	351.79	4.78	-55.03
CCNC(=O)C1=CC=CC(CNCC2=CC(Cl)=CC=C2OC(C)C(=O)[O-])=C1	REAL300018353927	0	49	-1.0	-50.38	420.50	7.96	-42.42
CCNC(=O)C1=CC=CC(CNCC2=C(F)C=C(C(=O)[O-])C=C2F)=C1	REAL300018353928	0	42	-1.0	-50.04	366.65	6.62	-43.42
CCNC(=O)C1=CC=CC(CNCC2=CN=C3C=CC(C(=O)[O-])=CN23)=C1	REAL300018353929	1	45	-1.0	-59.28	382.93	6.98	-52.30
CCNC(=O)C1=CC=CC(CNCC2=CN=C(C(=O)[O-])C=C2C)=C1	REAL300018353930	1	44	-1.0	-60.91	369.33	5.56	-55.35
CCNC(=O)C1=CC=CC(CNCC2=CC=CN3C(C(=O)[O-])=CN=C23)=C1	REAL300018353932	1	45	-1.0	-63.65	380.83	6.85	-56.80
CCNC(=O)C1=CC=CC(CNCC2=CC=CC(C(=O)[O-])=C2Br)=C1	REAL300018353933	0	42	-1.0	-54.55	369.46	6.94	-47.61
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CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)S1	REAL300018377540	0	44	-1.0	-51.48	384.60	7.85	-43.63
CC1=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C(C)S1	REAL300018377542	1	39	-1.0	-50.73	351.93	8.31	-42.42
C#CCOC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377544	1	42	-1.0	-52.01	375.10	8.62	-43.39
O=C([O-])C(NCC1=CC(C2=CC=CC=C2)=NN1)C1=CC=CC=C1OC(F)(F)F	REAL300018377546	1	43	-1.0	-50.06	378.87	7.81	-42.25
CCN1C=CN=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377548	0	39	-1.0	-46.78	334.51	7.17	-39.61
O=C([O-])C(NCC1=CN(C2=CC=CC=C2)N=N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377551	0	42	-1.0	-51.97	370.78	7.88	-44.09
CN1N=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C2=CC=CC=C21	REAL300018377553	0	42	-1.0	-58.17	369.42	7.81	-50.36
CN1C=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300018377554	0	36	-1.0	-54.89	320.73	5.77	-49.12
O=C([O-])C(NCC1=NNC2=CC=CC=C21)C1=CC=CC=C1OC(F)(F)F	REAL300018377555	1	39	-1.0	-52.52	344.89	6.70	-45.82
O=C([O-])C(NCC1=C2C=CC=CC2=NN1)C1=CC=CC=C1OC(F)(F)F	REAL300018377555	1	39	-1.0	-50.50	346.85	6.44	-44.06
CN(C)C1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1F	REAL300018377556	1	44	-1.0	-46.00	380.33	7.38	-38.62
O=C([O-])C(NCC1=NC=CN1CC(F)(F)F)C1=CC=CC=C1OC(F)(F)F	REAL300018377557	0	39	-1.0	-47.94	356.62	7.40	-40.54
CC1(C)CC2=CC(CNC(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)=CC=C2O1	REAL300018377558	1	47	-1.0	-48.38	395.16	9.38	-39.00
CC1=NSC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377559	0	35	-1.0	-47.89	324.31	6.49	-41.40
O=C([O-])C(NCC1=COC(C2=CC=CC=C2)=N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377560	0	42	-1.0	-55.56	376.08	6.26	-49.30
CC1=CSC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300018377562	0	35	-1.0	-46.70	325.63	5.61	-41.09
CC1=NC=CC=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377563	1	38	-1.0	-46.72	324.33	6.78	-39.94
CN(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)N1C	REAL300018377565	1	44	-1.0	-52.39	376.40	7.15	-45.24
O=C([O-])C(NCC1=NC(C2=CC=CC=C2)=CN1)C1=CC=CC=C1OC(F)(F)F	REAL300018377566	0	43	-1.0	-61.35	378.40	8.21	-53.14
CC(C)COC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377568	1	49	-1.0	-51.89	412.90	9.53	-42.36
COCCOC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377569	1	47	-1.0	-54.03	404.92	7.30	-46.73
COC1=CC2=C(C=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F)OCO2	REAL300018377577	0	43	-1.0	-50.11	372.08	6.13	-43.98
COC1=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)SC=C1	REAL300018377578	1	37	-1.0	-53.68	339.52	6.30	-47.38
CC(C)COC1=CC=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377579	1	49	-1.0	-48.84	412.39	9.56	-39.28
CC1(C)CC2=CC=CC(CNC(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)=C2O1	REAL300018377584	1	47	-1.0	-57.35	396.62	9.11	-48.24
O=C([O-])C(NCC1=NC2=C(CCCC2)S1)C1=CC=CC=C1OC(F)(F)F	REAL300018377585	0	42	-1.0	-48.83	367.94	7.58	-41.25
O=C([O-])C(NCC1=CC=NC=C1Cl)C1=CC=CC=C1OC(F)(F)F	REAL300018377586	0	35	-1.0	-45.36	329.11	6.55	-38.81
CC1=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=NN1C	REAL300018377587	0	39	-1.0	-60.32	342.29	5.99	-54.33
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=N1	REAL300018377588	0	40	-1.0	-49.84	352.88	6.40	-43.44
CC1=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=NO1	REAL300018377590	0	35	-1.0	-53.13	316.34	5.98	-47.15
CCN1C=NC=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377591	1	39	-1.0	-47.18	335.73	7.96	-39.22
CC1=NC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)N1C	REAL300018377592	1	39	-1.0	-55.30	337.55	6.98	-48.32
O=C([O-])C(NCC1=CN=C2CCCN12)C1=CC=CC=C1OC(F)(F)F	REAL300018377594	1	40	-1.0	-49.77	345.05	7.47	-42.30
O=C([O-])C(NCC1=CC=C(F)C=N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377596	0	35	-1.0	-54.25	320.85	6.13	-48.12
CC1=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)SC=N1	REAL300018377597	1	35	-1.0	-50.72	324.14	5.55	-45.17
COC1=CC(F)=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377598	1	40	-1.0	-51.27	353.71	7.44	-43.83
CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=N1	REAL300018377600	0	46	-1.0	-50.18	391.55	7.77	-42.41
CC1=NOC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377601	0	35	-1.0	-47.71	315.97	6.06	-41.65
CC1=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=CO1	REAL300018377602	1	36	-1.0	-46.73	317.11	6.87	-39.86
CC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(Cl)=C1	REAL300018377603	0	39	-1.0	-48.81	351.00	9.21	-39.60
O=C([O-])C(NCC1=NOC=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377605	0	32	-1.0	-52.86	294.03	5.20	-47.66
CS(=O)C1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377606	1	41	-1.0	-59.07	372.15	6.40	-52.67
COCC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)O1	REAL300018377614	0	40	-1.0	-51.36	355.74	5.84	-45.52
CC(C)(C)OC1=CC=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377615	1	49	-1.0	-57.64	399.91	8.94	-48.70
CC1=CN=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)O1	REAL300018377617	0	35	-1.0	-54.35	315.26	3.61	-50.74
CC1=CNC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300018377619	0	36	-1.0	-58.51	321.29	5.14	-53.37
CCOC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(C)=C1	REAL300018377620	1	46	-1.0	-46.50	380.53	8.82	-37.68
COC1=CC(C)=CC=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377621	1	43	-1.0	-53.54	369.09	7.92	-45.62
CC1=NC(C)=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)O1	REAL300018377623	0	38	-1.0	-47.40	337.45	4.04	-43.36
COCC1=CSC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377624	1	40	-1.0	-48.93	364.88	6.73	-42.20
CC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)N=C1	REAL300018377626	0	38	-1.0	-57.67	335.88	6.72	-50.95
O=C([O-])C(NCC1=CC=NS1)C1=CC=CC=C1OC(F)(F)F	REAL300018377627	0	32	-1.0	-44.05	302.62	5.94	-38.11
CC(C)N1C=CN=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377628	0	42	-1.0	-53.23	359.90	7.69	-45.54
CC1=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=CC=C1[N+](=O)[O-]	REAL300018377629	1	41	-1.0	-55.13	359.55	8.85	-46.28
COC1=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CC=C1Cl	REAL300018377630	1	40	-1.0	-46.03	364.95	7.68	-38.35
CC1=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CS1	REAL300018377631	1	36	-1.0	-51.15	329.73	7.80	-43.35
O=C([O-])C(NCC1=NN(C2=CC=CC=C2)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377633	0	43	-1.0	-61.75	378.36	9.01	-52.74
CCC1=NN(C)C=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377635	1	42	-1.0	-54.69	365.10	6.91	-47.78
O=C([O-])C(NCC1=NN2CCCCC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377636	0	43	-1.0	-52.92	363.96	7.24	-45.68
COC1=NC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)S1	REAL300018377638	0	36	-1.0	-49.25	335.27	3.68	-45.57
CC1=NC=CN=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377640	0	37	-1.0	-51.16	326.90	4.62	-46.54
O=C([O-])C(NCC1=CC2=C(C=N1)OCCO2)C1=CC=CC=C1OC(F)(F)F	REAL300018377642	0	41	-1.0	-57.52	359.36	5.16	-52.36
O=C([O-])C(NCC1=CN=C2C=CC(Cl)=CN12)C1=CC=CC=C1OC(F)(F)F	REAL300018377643	1	39	-1.0	-50.74	363.07	8.84	-41.90
CC1=CC=CN2C(CNC(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)=CN=C12	REAL300018377645	1	42	-1.0	-52.42	367.80	8.93	-43.49
CCN1N=CN=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377646	0	38	-1.0	-53.12	337.44	7.03	-46.09
CN1C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CN=C1Cl	REAL300018377647	0	36	-1.0	-50.73	335.82	6.67	-44.06
O=C([O-])C(NCC1=CC(C(F)(F)F)=NN1)C1=CC=CC=C1OC(F)(F)F	REAL300018377648	0	36	-1.0	-47.61	340.81	5.18	-42.43
CC1=CN=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)N1C	REAL300018377649	0	39	-1.0	-53.81	339.36	6.73	-47.08
O=C([O-])C(NCC1=CC2=C(F)C=CC=C2N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377650	1	40	-1.0	-49.14	356.15	8.09	-41.05
O=C([O-])C(NCC1=CC2=CC=C(F)C=C2N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377651	1	40	-1.0	-44.75	356.10	8.13	-36.62
CCOC1=CC=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300018377652	0	42	-1.0	-52.45	368.08	5.46	-46.99
CC1=C(Cl)C=CC=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377653	1	39	-1.0	-50.09	348.96	8.86	-41.23
CC1=CC=CC2=NC=C(CNC(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)N21	REAL300018377655	1	42	-1.0	-56.43	355.48	8.90	-47.53
CC1=CC(Cl)=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377658	1	39	-1.0	-49.24	355.91	9.24	-40.00
COCC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377659	1	43	-1.0	-48.75	374.12	7.61	-41.14
O=C([O-])C(NCC1=CC2=CC=CC(F)=C2N=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377661	1	41	-1.0	-52.07	367.34	8.25	-43.82
CC1=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)SN=N1	REAL300018377664	0	34	-1.0	-46.56	316.92	5.23	-41.33
CCCOC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1C	REAL300018377665	1	49	-1.0	-47.46	411.99	9.65	-37.81
COC1=C(C)C=NC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1C	REAL300018377666	0	45	-1.0	-48.68	381.50	6.68	-42.00
NC1=C(F)C=CC=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377668	1	38	-1.0	-48.72	336.59	5.84	-42.88
O=C([O-])C(NCC1=CC=C(C(F)F)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377669	1	39	-1.0	-47.22	351.24	8.75	-38.47
O=C([O-])C(NCC1=NC(Cl)=CS1)C1=CC=CC=C1OC(F)(F)F	REAL300018377671	0	32	-1.0	-49.29	319.58	5.68	-43.61
COC1=NSC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377672	0	36	-1.0	-49.15	336.80	3.73	-45.42
O=C([O-])C(NCC1=NC=CC2=CC=CC=C21)C1=CC=CC=C1OC(F)(F)F	REAL300018377673	1	41	-1.0	-50.79	355.62	8.14	-42.65
CC1=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=NN1C	REAL300018377674	1	39	-1.0	-50.18	338.32	6.28	-43.90
O=C([O-])C(NCC1=CN=C(C2CC2)O1)C1=CC=CC=C1OC(F)(F)F	REAL300018377676	0	39	-1.0	-53.62	348.66	5.11	-48.51
CCOC1=CN=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377678	1	42	-1.0	-47.83	364.01	6.54	-41.29
CCOC1=CC(F)=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377679	1	43	-1.0	-50.91	375.56	8.37	-42.54
CN1N=C(C2CC2)C=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377681	0	43	-1.0	-49.37	372.28	7.47	-41.90
O=C([O-])C(NCC1=CC=NN1CC1CC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377686	0	43	-1.0	-45.69	374.10	7.90	-37.79
CN1N=CN=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377689	0	35	-1.0	-53.30	315.62	6.16	-47.14
NS(=O)(=O)C1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)O1	REAL300018377690	0	38	-1.0	-60.24	357.30	0.94	-59.30
COC1=CN=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1C	REAL300018377692	1	42	-1.0	-51.37	360.44	5.88	-45.49
CCC1=CNC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300018377693	0	39	-1.0	-58.01	342.25	5.97	-52.04
O=C([O-])C(NCC1=CC2=CN=CC=C2O1)C1=CC=CC=C1OC(F)(F)F	REAL300018377695	0	38	-1.0	-53.67	342.08	6.68	-46.99
O=C([O-])C(NCC1=CC=C(C(F)(F)F)S1)C1=CC=CC=C1OC(F)(F)F	REAL300018377696	1	36	-1.0	-47.26	350.41	8.12	-39.14
CC1=C2C=C(CNC(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)NC2=CC=C1	REAL300018377697	1	43	-1.0	-49.96	370.60	8.66	-41.30
O=C([O-])C(NCC1=CSC(C(F)(F)F)=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377699	1	36	-1.0	-46.78	348.48	8.20	-38.58
CCCOC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(C)=C1	REAL300018377700	1	49	-1.0	-49.41	403.61	9.77	-39.64
CC1=C(C)NC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300018377701	0	39	-1.0	-48.52	340.46	5.76	-42.76
O=C([O-])C(NCC1=CC=C(C(F)F)N=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377704	1	38	-1.0	-48.58	347.19	7.15	-41.43
CN1C=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(C(F)F)=N1	REAL300018377708	0	39	-1.0	-60.11	355.00	6.39	-53.72
O=C([O-])C(NCC1=CC=CC2=C1CCOC2)C1=CC=CC=C1OC(F)(F)F	REAL300018377711	1	44	-1.0	-48.62	364.70	8.07	-40.55
CCCN1N=CC=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377715	0	42	-1.0	-49.92	356.98	7.36	-42.56
CC1=CC=C2C=C(CNC(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)NC2=C1	REAL300018377716	1	43	-1.0	-46.35	371.08	8.71	-37.64
O=C([O-])C(NCC1=C2CCCN2N=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377717	1	40	-1.0	-52.80	345.89	6.43	-46.37
O=C([O-])C(NCC1=NN2CCCC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377718	0	40	-1.0	-53.58	344.28	6.65	-46.93
O=C([O-])C(NCC1=CC2=CC=CN=C2O1)C1=CC=CC=C1OC(F)(F)F	REAL300018377720	0	38	-1.0	-60.11	342.12	5.37	-54.74
O=C([O-])C(NCC1=CC2=CC(F)=CC=C2O1)C1=CC=CC=C1OC(F)(F)F	REAL300018377726	0	39	-1.0	-51.82	353.76	8.48	-43.34
COCC1=CC=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377728	1	43	-1.0	-48.89	374.12	7.60	-41.29
CN(C)CC1=NC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CS1	REAL300018377729	0	43	-1.0	-51.97	382.07	4.50	-47.47
COC1=CC(C)=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1OC	REAL300018377731	1	47	-1.0	-51.49	392.94	7.72	-43.77
O=C([O-])C(NCC1=CC(C2=CC=CC=N2)=NN1)C1=CC=CC=C1OC(F)(F)F	REAL300018377736	1	42	-1.0	-51.31	375.61	6.08	-45.23
CN1N=CC2=CC(CNC(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)=CN=C21	REAL300018377738	1	41	-1.0	-52.80	362.18	7.19	-45.61
CCC1=CN=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)S1	REAL300018377741	0	38	-1.0	-46.83	347.23	6.59	-40.24
O=C([O-])C(NCC1=CC=C(F)N=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377742	1	35	-1.0	-47.22	319.03	6.23	-40.99
COC1=CC=C(C)C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377749	1	43	-1.0	-52.12	366.34	7.63	-44.49
O=C([O-])C(NCC1=NOC(C2CCC2)=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377750	0	42	-1.0	-47.06	362.95	8.36	-38.70
CC1(C2=CC(CNC(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)=NO2)CC1	REAL300018377751	0	42	-1.0	-47.31	365.40	8.26	-39.05
CC1=CC(F)=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377753	1	39	-1.0	-50.11	347.32	8.54	-41.57
O=C([O-])C(NCC1=CN=C2CCCCCN12)C1=CC=CC=C1OC(F)(F)F	REAL300018377755	1	46	-1.0	-54.93	373.88	8.47	-46.46
O=C([O-])C(NCC1=CC(C2=CC=CC=C2)=NO1)C1=CC=CC=C1OC(F)(F)F	REAL300018377756	0	42	-1.0	-49.60	374.38	8.99	-40.61
CCOC1=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CC=N1	REAL300018377759	1	42	-1.0	-48.77	368.00	5.52	-43.25
O=C([O-])C(NCC1=NOC(C2CC2)=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377762	0	39	-1.0	-52.57	347.99	7.56	-45.01
CC1OC2=CC=C(CNC(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)C=C2C1C	REAL300018377763	1	47	-1.0	-52.37	391.26	9.16	-43.21
CC1=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)NN=C1C(F)(F)F	REAL300018377765	0	39	-1.0	-45.60	357.61	5.97	-39.63
CC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1O	REAL300018377767	1	40	-1.0	-50.80	350.51	5.73	-45.07
O=C([O-])C(NCC1=NC(C2CC2)=CS1)C1=CC=CC=C1OC(F)(F)F	REAL300018377768	0	39	-1.0	-49.51	355.11	7.10	-42.41
O=C([O-])C(NCC1=CN(CC2CC2)N=N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377769	0	42	-1.0	-56.89	368.95	6.73	-50.16
O=C([O-])C(NCC1=CC=C2CCOC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377770	1	41	-1.0	-49.45	355.27	7.67	-41.78
O=C([O-])C(NCC1=NC2=C(CCCC2)N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377771	0	43	-1.0	-59.14	362.88	6.90	-52.24
O=C([O-])C(NCC1=CC=C2COCCC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377772	1	44	-1.0	-49.27	371.53	8.20	-41.07
CSC1=CC=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377773	1	40	-1.0	-56.53	359.72	8.81	-47.72
CCN1C=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300018377776	0	39	-1.0	-60.42	344.34	6.39	-54.03
O=C([O-])C(NCC1=CC=C(OC2CC2)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377778	1	44	-1.0	-52.44	380.04	8.78	-43.66
CC1=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)OC2=CC=C(F)C=C12	REAL300018377780	0	42	-1.0	-48.03	373.74	9.10	-38.93
CCCN1C=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300018377781	0	42	-1.0	-59.63	365.37	7.23	-52.40
CC(C)N1C=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300018377782	0	42	-1.0	-59.43	362.55	6.98	-52.45
CC(C)(C)C1=CN=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377783	1	47	-1.0	-47.13	389.10	8.34	-38.79
O=C([O-])C(NCC1=NN(CC(F)(F)F)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377784	0	39	-1.0	-63.13	362.22	6.89	-56.24
CN1C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=NC2=C1CCCC2	REAL300018377785	0	46	-1.0	-48.52	381.77	8.55	-39.97
CC1=CC=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300018377786	0	38	-1.0	-53.72	335.62	6.67	-47.05
O=C([O-])C(NCC1=CC2=CC=CC=C2C=N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377787	0	41	-1.0	-54.67	360.20	8.30	-46.37
COC1=NC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CC=C1C	REAL300018377788	0	42	-1.0	-50.93	365.11	5.46	-45.47
O=C([O-])C(NCC1=CC=CC(C(F)F)=C1F)C1=CC=CC=C1OC(F)(F)F	REAL300018377789	0	39	-1.0	-53.04	357.67	8.81	-44.23
O=C([O-])C(NCC1=CC=CC2=C1COCC2)C1=CC=CC=C1OC(F)(F)F	REAL300018377790	1	44	-1.0	-55.20	369.33	7.74	-47.46
O=C([O-])C(NCC1=CC2=C(CCCC2)O1)C1=CC=CC=C1OC(F)(F)F	REAL300018377791	0	43	-1.0	-54.58	363.75	8.71	-45.87
CCC(C)N1N=CC=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377792	0	45	-1.0	-46.54	380.73	7.66	-38.88
O=C([O-])C(NCC1=CN(C2CCCCC2)N=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377793	1	49	-1.0	-51.45	404.61	8.86	-42.59
COC1=CC(C)=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=N1	REAL300018377795	1	42	-1.0	-47.21	364.02	5.29	-41.92
O=C([O-])C(NCC1=NC2=CC=CC=C2S1)C1=CC=CC=C1OC(F)(F)F	REAL300018377796	0	38	-1.0	-50.22	351.08	7.28	-42.94
CCCN1C=NC=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377800	1	42	-1.0	-46.28	356.58	8.73	-37.55
CCC1=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=NN1CC	REAL300018377804	1	45	-1.0	-48.46	378.73	7.81	-40.65
CC1=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(C(F)(F)F)=CO1	REAL300018377805	0	39	-1.0	-46.39	358.43	7.90	-38.49
CC(F)(F)C1=CC=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377806	1	42	-1.0	-55.13	372.71	9.32	-45.81
O=C([O-])C(NCC1=CC=C2CCOCC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377809	1	44	-1.0	-52.67	371.58	8.14	-44.53
O=C([O-])C(NCC1=CC(C2=CC=NC=C2)=NN1)C1=CC=CC=C1OC(F)(F)F	REAL300018377810	1	42	-1.0	-50.26	374.19	5.97	-44.29
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)N=C1	REAL300018377812	0	41	-1.0	-52.75	357.46	7.40	-45.35
CC1=NN(C2CCCC2)C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377815	0	49	-1.0	-45.73	407.14	8.96	-36.77
O=C([O-])C(NCC1=CC=NN1CC(F)F)C1=CC=CC=C1OC(F)(F)F	REAL300018377816	0	39	-1.0	-46.57	348.83	7.45	-39.12
O=C([O-])C(NCC1=NN(C2CCC2)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377818	0	43	-1.0	-51.81	367.59	7.58	-44.23
O=C([O-])C(NCC1=NN(CC(F)F)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377819	0	39	-1.0	-57.63	356.87	6.76	-50.87
O=C([O-])C(NCC1=NN(C2CC2(F)F)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377820	0	40	-1.0	-63.82	365.38	7.33	-56.49
CC1=CN(C)C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300018377821	0	39	-1.0	-54.66	340.99	6.86	-47.80
O=C([O-])C(NCC1=NN(C2CCCC2)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377823	0	46	-1.0	-54.42	384.84	8.23	-46.19
O=C([O-])C(NCC1=C2OC=CC2=C(F)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377824	1	39	-1.0	-51.86	353.12	8.29	-43.57
O=C([O-])C(NCC1=C2OC=CC2=CC(Cl)=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377825	1	39	-1.0	-50.57	361.79	8.97	-41.60
CN1N=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1C1=CC=CO1	REAL300018377827	0	43	-1.0	-54.68	381.04	7.16	-47.52
CC1=NN(C2CCC2)C=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377828	1	46	-1.0	-49.02	385.01	8.46	-40.56
CN1N=C(C2=CC=CO2)C=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377830	1	43	-1.0	-54.39	381.07	7.33	-47.06
O=C([O-])C(NCC1=CC=C(CF)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377832	1	39	-1.0	-48.40	347.04	8.70	-39.70
O=C([O-])C(NCC1=CC=C2SC=CC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377833	1	39	-1.0	-47.74	356.34	9.21	-38.53
C=CCN1C=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=N1	REAL300018377836	1	40	-1.0	-47.35	356.21	7.10	-40.25
O=C([O-])C(NCC1=CC2=NNC=C2C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377837	1	39	-1.0	-54.67	345.66	6.54	-48.13
O=C([O-])C(NCC1=CC=C(N2C=CN=N2)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377841	1	42	-1.0	-51.84	370.32	7.75	-44.09
COC1=C2C=CNC2=CC=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377843	1	44	-1.0	-56.72	380.54	7.29	-49.43
CCCN1N=CC(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1C	REAL300018377844	1	45	-1.0	-47.90	383.23	7.73	-40.17
CCCN1N=C(C)C=C1CNC(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377846	0	45	-1.0	-51.30	380.73	7.66	-43.64
CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)O1	REAL300018377847	0	44	-1.0	-48.55	378.24	5.37	-43.18
CC1=CC(C(F)(F)F)=NN1CCNCC1=CC(C(=O)[O-])=C(C)O1	REAL300018377914	1	38	-1.0	-53.88	342.78	5.88	-48.00
CC1=CC(C(F)(F)F)=NN1CCNCC1=CC(C(=O)[O-])=CO1	REAL300018377917	1	35	-1.0	-51.02	325.66	5.19	-45.83
CC1=CC(C(F)(F)F)=NN1CCNCC1=CN(CC(=O)[O-])N=N1	REAL300018377919	0	37	-1.0	-50.39	338.46	3.73	-46.66
CC1=CC(C(F)(F)F)=NN1CCNCC1=CC=C(C(=O)[O-])O1	REAL300018377920	1	35	-1.0	-55.58	325.40	5.44	-50.14
CC1=CC(C(F)(F)F)=NN1CCNCC1=CC=C(C(=O)[O-])O1	REAL300018377921	1	35	-1.0	-55.58	325.40	5.44	-50.14
CC1=CC(C(F)(F)F)=NN1CCNCC1=CC(C(=O)[O-])=NO1	REAL300018377936	1	34	-1.0	-52.85	319.81	4.48	-48.37
CC1=CC(C(F)(F)F)=NN1CCNCC1=CC=CC(C(=O)[O-])=N1	REAL300018377937	1	37	-1.0	-61.93	338.43	5.11	-56.82
CC1=CC(C(F)(F)F)=NN1CCNCC1=CC(C(=O)[O-])=NO1	REAL300018377938	1	34	-1.0	-52.85	319.81	4.48	-48.37
CC1=CC(C(F)(F)F)=NN1CCNCC1=CC=C(C=CC(=O)[O-])O1	REAL300018377944	1	39	-1.0	-60.60	359.90	5.04	-55.56
CC1=CC(C(F)(F)F)=NN1CCNCC1=CC(C)=C(C(=O)[O-])O1	REAL300018377948	1	38	-1.0	-50.71	342.50	6.00	-44.71
CCC1=C(C(=O)[O-])C=C(CNCCN2N=C(C(F)(F)F)C=C2C)O1	REAL300018377955	1	41	-1.0	-52.66	364.26	6.66	-46.00
CC1=CC(C(F)(F)F)=NN1CCNCC1=CC=C(C(=O)[O-])C=N1	REAL300018377958	1	37	-1.0	-48.97	336.86	5.07	-43.90
CC1=CC(C(F)(F)F)=NN1CCNCC1=CC=C(CCC(=O)[O-])O1	REAL300018377961	1	41	-1.0	-51.16	367.39	6.82	-44.34
CC1=CC(C(F)(F)F)=NN1CCNCC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300018377967	1	38	-1.0	-44.24	352.30	6.96	-37.28
CC1=CC(C(F)(F)F)=NN1CCNCC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300018377972	1	45	-1.0	-47.73	388.24	6.49	-41.24
CC(C)(C(=O)[O-])C(NCC1=CN(CC2=CC=CN=C2)N=N1)C1=CC=CC=C1	REAL300018377978	1	49	-1.0	-54.82	394.14	8.12	-46.70
CC(C)C1=CN=C(CNC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])S1	REAL300018377981	1	46	-1.0	-44.59	370.43	9.02	-35.57
CC1=CN2C=C(CNC(C3=CC=CC=C3)C(C)(C)C(=O)[O-])N=C2C=C1	REAL300018377987	1	47	-1.0	-50.92	370.13	10.86	-40.06
COCC1=CC(CNC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])=NO1	REAL300018377990	0	44	-1.0	-49.20	345.22	6.33	-42.87
CC(C)N1C=C(CNC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])N=N1	REAL300018377993	1	46	-1.0	-47.44	361.70	7.49	-39.95
CN(C)CC1=CC(CNC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])=NO1	REAL300018377994	0	48	-1.0	-45.77	377.82	6.62	-39.15
CC1=CC=CC=C1N1C=C(CNC(C2=CC=CC=C2)C(C)(C)C(=O)[O-])N=N1	REAL300018377995	0	50	-1.0	-50.16	388.12	9.97	-40.19
CSC1=CC=C(NCC2=CC=C(C)C(F)=C2)C=C1C(=O)[O-]	REAL300018402515	0	36	-1.0	-53.45	315.91	9.23	-44.22
CSC1=CC=C(NCC2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300018402517	0	35	-1.0	-57.37	327.64	9.72	-47.65
CSC1=CC=C(NC2CC(C)(C)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300018402518	0	48	-1.0	-51.16	361.75	10.03	-41.13
CSC1=CC=C(NC2CCC3=CC(Br)=CC=C3C2)C=C1C(=O)[O-]	REAL300018402519	0	40	-1.0	-51.47	349.77	10.87	-40.60
CSC1=CC=C(NC(C)CCC2=CNC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300018402520	0	46	-1.0	-57.58	382.37	10.96	-46.62
COC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C(Cl)=C1OC	REAL300018402521	0	41	-1.0	-56.48	365.56	8.27	-48.21
CSC1=CC=C(NCC2=CC=C(C3=CC=CS3)C=C2)C=C1C(=O)[O-]	REAL300018402522	0	40	-1.0	-53.90	356.56	11.14	-42.76
CSC1=CC=C(NCC2=CC3=CC=CC=C3S2)C=C1C(=O)[O-]	REAL300018402523	0	36	-1.0	-54.13	326.58	10.05	-44.08
CSC1=CC=C(NCC2=CC=C(OC(C)C)C=C2)C=C1C(=O)[O-]	REAL300018402524	0	43	-1.0	-53.70	358.48	9.37	-44.33
CCCCCCCOC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300018402525	0	55	-1.0	-53.09	448.04	12.67	-40.42
CSC1=CC=C(NCC(C)CC2=CC=C(C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300018402526	0	54	-1.0	-52.76	423.20	12.93	-39.83
CSC1=CC=C(NCC2=CC=C(F)C(C)=C2)C=C1C(=O)[O-]	REAL300018402527	0	36	-1.0	-52.81	315.92	9.22	-43.59
CSC1=CC=C(NCC2=C3NC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300018402528	0	37	-1.0	-54.12	320.55	8.52	-45.60
CSC1=CC=C(NCC2=CSC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300018402529	0	32	-1.0	-56.95	309.24	8.31	-48.64
CSC1=CC=C(NCC2=CC=CC=C2N2CCOCC2)C=C1C(=O)[O-]	REAL300018402530	0	46	-1.0	-53.22	375.82	7.93	-45.29
CSC1=CC=C(NCC2=CC=C(CC(C)C)C=C2)C=C1C(=O)[O-]	REAL300018402531	0	45	-1.0	-52.14	370.34	11.21	-40.93
CSC1=CC=C(NCC2=CC=CC(C3=CC=C(C)C=C3)=C2)C=C1C(=O)[O-]	REAL300018402532	0	46	-1.0	-54.39	384.81	12.60	-41.79
CSC1=CC=C(NCC2=CC(C)=CC(C)=C2)C=C1C(=O)[O-]	REAL300018402533	0	39	-1.0	-52.54	332.01	9.84	-42.70
COC1=CC=C(Br)C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402534	0	37	-1.0	-54.17	336.91	8.39	-45.78
COC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300018402535	0	39	-1.0	-60.75	344.72	9.26	-51.49
CSC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300018402536	0	33	-1.0	-52.09	322.66	9.53	-42.56
CSC1=CC=C(NCC2=C(C)C=CC=C2C)C=C1C(=O)[O-]	REAL300018402537	0	39	-1.0	-52.24	323.82	9.57	-42.67
CSC1=CC=C(NCC2=CC=CC(C3=CC=CC=C3C)=C2)C=C1C(=O)[O-]	REAL300018402538	0	46	-1.0	-53.98	385.25	12.60	-41.38
CSC1=CC=C(NCC2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300018402539	0	37	-1.0	-55.49	328.45	8.10	-47.39
CCOC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1OCC	REAL300018402540	0	47	-1.0	-55.73	391.65	9.56	-46.17
CSC1=CC=C(NC2CCC(C(C)C)CC2)C=C1C(=O)[O-]	REAL300018402541	0	45	-1.0	-52.39	341.51	10.12	-42.27
CSC1=CC=C(NCC2=CC=C(Cl)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300018402542	0	36	-1.0	-54.10	341.09	9.93	-44.17
CSC1=CC=C(NCC2=CC=C(F)C=C2Br)C=C1C(=O)[O-]	REAL300018402543	0	33	-1.0	-53.09	314.05	9.09	-44.00
CSC1=CC=C(NCC2=CC=C3OC(F)(F)OC3=C2)C=C1C(=O)[O-]	REAL300018402544	0	36	-1.0	-55.16	328.80	7.62	-47.54
CSC1=CC=C(NCC2=CC=NC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300018402545	0	38	-1.0	-55.39	327.35	8.75	-46.64
CSC1=CC=C(NCC2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300018402546	0	37	-1.0	-53.06	335.19	8.31	-44.75
CSC1=CC=C(NCC2=CC=C(S(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300018402547	0	39	-1.0	-62.16	349.89	6.04	-56.12
COC1=CC=CC=C1C1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300018402548	0	47	-1.0	-55.39	397.39	11.59	-43.80
CSC1=CC=C(NC(C)CCOCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300018402549	0	46	-1.0	-54.27	384.47	10.18	-44.09
CSC1=CC=C(NC2CC(C3=CC=C(Cl)C=C3)C2)C=C1C(=O)[O-]	REAL300018402550	0	40	-1.0	-53.57	349.13	10.93	-42.64
CSC1=CC=C(NCC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C=C1C(=O)[O-]	REAL300018402551	0	43	-1.0	-53.51	380.13	12.46	-41.05
CSC1=CC=C(NCC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C=C1C(=O)[O-]	REAL300018402552	0	43	-1.0	-53.88	380.14	12.45	-41.43
COC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300018402553	0	43	-1.0	-54.96	360.38	9.98	-44.98
CCC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)S1	REAL300018402554	0	36	-1.0	-52.19	322.78	9.19	-43.00
CSC1=CC=C(NCC2=NC3=CC=CC=C3N2C)C=C1C(=O)[O-]	REAL300018402555	0	39	-1.0	-58.66	335.60	8.85	-49.81
CSC1=CC=C(NCC2=CC=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300018402556	0	38	-1.0	-54.22	325.08	8.37	-45.85
CSC1=CC=C(NCC2=CSC(Br)=C2)C=C1C(=O)[O-]	REAL300018402557	0	30	-1.0	-52.20	300.85	8.18	-44.02
CSC1=CC=C(NCC2=CC=CC=C2OCC2=CC=NC=C2)C=C1C(=O)[O-]	REAL300018402558	0	46	-1.0	-57.18	394.27	10.08	-47.10
CSC1=CC=C(NCC2=CC=CC=C2OCC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300018402559	0	46	-1.0	-55.92	394.22	10.06	-45.86
CSC1=CC=C(NCC2=CC=C(N3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300018402560	0	44	-1.0	-55.28	363.12	8.43	-46.85
CSC1=CC=C(NCC2=CC=CC(NS(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300018402561	0	41	-1.0	-59.98	362.78	5.23	-54.75
CSC1=CC=C(NCC2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300018402562	0	37	-1.0	-55.62	320.37	8.54	-47.08
CSC1=CC=C(NCC2=CC=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300018402563	0	37	-1.0	-55.53	320.56	8.55	-46.98
CSC1=CC=C(NC(C)CC2=CC=CS2)C=C1C(=O)[O-]	REAL300018402564	0	36	-1.0	-52.96	319.39	9.20	-43.76
CSC1=CC=C(NCC2=CC=CC3=C2OC(F)(F)O3)C=C1C(=O)[O-]	REAL300018402565	0	36	-1.0	-57.62	328.78	7.61	-50.01
CSC1=CC=C(NCC2=CC=C(F)C=C2C)C=C1C(=O)[O-]	REAL300018402566	0	36	-1.0	-52.57	312.72	9.31	-43.26
CSC1=CC=C(NCC2=CC=C3OC(C)(C)CCC3=C2)C=C1C(=O)[O-]	REAL300018402567	0	47	-1.0	-54.43	379.79	10.34	-44.09
CSC1=CC=C(NC(C)CC(C)(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300018402568	0	48	-1.0	-53.21	371.82	12.04	-41.17
CSC1=CC=C(NCC2=CC=CC=C2N(C)C)C=C1C(=O)[O-]	REAL300018402569	0	41	-1.0	-52.72	342.68	8.36	-44.36
CSC1=CC=C(NCC2=CC=CC(C3=CC=CN=C3)=C2)C=C1C(=O)[O-]	REAL300018402570	0	42	-1.0	-56.59	358.42	10.16	-46.43
CSC1=CC=C(NCC2=CC=CC(C3=CC=NC=C3)=C2)C=C1C(=O)[O-]	REAL300018402571	0	42	-1.0	-55.49	358.61	10.17	-45.32
CSC1=CC=C(NCC2=CC=C(N3CCN(C)CC3)C=C2)C=C1C(=O)[O-]	REAL300018402572	1	50	-1.0	-53.28	398.41	7.23	-46.05
CSC1=CC=C(NCC2=C(N3CCOCC3)N(C)N=C2C)C=C1C(=O)[O-]	REAL300018402573	0	49	-1.0	-54.44	391.31	6.36	-48.08
CSC1=CC=C(NCC2=CC=C(OC3=CN=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300018402574	0	42	-1.0	-56.82	370.52	7.01	-49.81
CSC1=CC=C(NC2CCN(C3=CN=CC=N3)CC2)C=C1C(=O)[O-]	REAL300018402575	0	43	-1.0	-54.63	350.99	6.54	-48.09
CSC1=CC=C(NC2CCN(CC3=CC=C(Cl)C=C3)CC2)C=C1C(=O)[O-]	REAL300018402576	1	48	-1.0	-53.21	399.84	9.79	-43.42
CSC1=CC=C(NC2CCN(CC3=CC=CC=C3Cl)CC2)C=C1C(=O)[O-]	REAL300018402577	1	48	-1.0	-53.41	398.60	9.74	-43.67
CSC1=CC=C(NC2CCN(CC3=CC=CC=N3)CC2)C=C1C(=O)[O-]	REAL300018402578	1	47	-1.0	-54.45	378.67	7.81	-46.64
CSC1=CC=C(NCC2=CN(C3=CC=C(F)C=C3)N=C2)C=C1C(=O)[O-]	REAL300018402579	0	40	-1.0	-56.43	354.43	9.79	-46.64
CSC1=CC=C(NCC2=CN(C3=CC=C(Cl)C=C3)N=C2)C=C1C(=O)[O-]	REAL300018402580	0	40	-1.0	-56.11	364.75	10.24	-45.87
CSC1=CC=C(NCC2=CN(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300018402581	0	42	-1.0	-55.63	351.95	8.33	-47.30
CSC1=CC=C(NCC2=CC=C(OCC(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300018402583	0	40	-1.0	-54.90	360.12	9.21	-45.69
CSC1=CC=C(NCC2=CC(Cl)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300018402585	0	37	-1.0	-54.06	344.11	8.64	-45.42
CSC1=CC=C(NCC2=CC=C(C3=CC=CC(Cl)=C3)S2)C=C1C(=O)[O-]	REAL300018402586	0	40	-1.0	-54.60	373.77	11.80	-42.80
CSC1=CC=C(NCC2=CNN=C2C2=CC=C3OCOC3=C2)C=C1C(=O)[O-]	REAL300018402587	0	43	-1.0	-58.46	368.80	7.69	-50.77
COC1=CC=CC(C2=NNC=C2CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402588	0	44	-1.0	-57.72	372.25	8.33	-49.39
CSC1=CC=C(NCC2=CN=C(N3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300018402589	0	43	-1.0	-56.94	358.21	8.40	-48.54
CSC1=CC=C(NCC2=CC=C(OCC3=CC=NC=C3)C=C2)C=C1C(=O)[O-]	REAL300018402590	0	46	-1.0	-56.05	395.34	10.03	-46.02
CSC1=CC=C(NCC2=CC=CC(OCC3=CC=CC=N3)=C2)C=C1C(=O)[O-]	REAL300018402591	0	46	-1.0	-56.26	393.23	10.11	-46.15
CSC1=CC=C(NCC2=CN(C)N=C2C(C)C)C=C1C(=O)[O-]	REAL300018402593	0	42	-1.0	-56.00	354.40	8.15	-47.85
COCCOC1=CC=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402594	0	44	-1.0	-56.27	374.18	8.02	-48.25
COC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1Cl	REAL300018402595	0	37	-1.0	-54.76	334.72	8.37	-46.39
CSC1=CC=C(NCC2=CC3=CC(Cl)=CC(Cl)=C3OC2)C=C1C(=O)[O-]	REAL300018402596	0	39	-1.0	-54.42	368.09	10.07	-44.35
CSC1=CC=C(NCC2=CSC(C3=CC=CC=N3)=N2)C=C1C(=O)[O-]	REAL300018402597	0	38	-1.0	-61.22	349.46	7.44	-53.78
CSC1=CC=C(NCC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C=C1C(=O)[O-]	REAL300018402598	0	41	-1.0	-59.85	355.39	8.34	-51.51
CSC1=CC=C(NCC2=NC3=CC=CC=C3N2C(C)C)C=C1C(=O)[O-]	REAL300018402599	0	45	-1.0	-57.69	370.56	10.07	-47.62
COC1=NC=C(Br)C=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402600	0	36	-1.0	-53.62	336.56	5.87	-47.75
COC1=NC=CC=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402601	0	36	-1.0	-55.84	315.22	5.27	-50.57
CSC1=CC=C(NCC2=CC=C(Br)C=N2)C=C1C(=O)[O-]	REAL300018402602	0	32	-1.0	-53.96	305.48	7.28	-46.68
CSC1=CC=C(NCC2=CN=C(N3CCOCC3)S2)C=C1C(=O)[O-]	REAL300018402603	0	42	-1.0	-55.15	362.88	5.84	-49.31
CSC1=CC=C(NCC2=CC=CC3=NC=CC=C23)C=C1C(=O)[O-]	REAL300018402604	0	38	-1.0	-55.47	327.11	8.74	-46.73
CSC1=CC=C(NCC2=CC=CC(OCC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300018402605	0	40	-1.0	-55.98	360.12	9.21	-46.77
CSC1=CC=C(NCC2=CC=CC3=C2OCCO3)C=C1C(=O)[O-]	REAL300018402606	0	39	-1.0	-55.73	332.57	7.71	-48.02
CSC1=CC=C(NCC2=CC=CC3=C2OCCCO3)C=C1C(=O)[O-]	REAL300018402607	0	42	-1.0	-57.92	351.05	8.49	-49.43
CSC1=CC=C(NC2CC(C3=CC=CC(Cl)=C3)C2)C=C1C(=O)[O-]	REAL300018402608	0	40	-1.0	-52.46	349.06	10.96	-41.50
CSC1=CC=C(NC2CC(C3=CC=CC(Br)=C3)C2)C=C1C(=O)[O-]	REAL300018402609	0	40	-1.0	-52.41	353.63	11.07	-41.34
CSC1=CC=C(NC2CC(C3=CC=CC=C3Cl)C2)C=C1C(=O)[O-]	REAL300018402610	0	40	-1.0	-55.39	346.06	10.85	-44.54
CSC1=CC=C(NCC2=CN=C(C3=CC=CC=C3)N=C2)C=C1C(=O)[O-]	REAL300018402611	0	41	-1.0	-57.21	358.35	9.80	-47.41
CSC1=CC=C(NCC2=CN=C(N3CCOCC3)N=C2)C=C1C(=O)[O-]	REAL300018402612	0	44	-1.0	-56.78	367.34	6.90	-49.88
CCCN1C2=CC=CC=C2N=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402613	0	45	-1.0	-58.09	378.92	10.51	-47.58
CCCOC1=CC=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402614	0	43	-1.0	-54.11	362.05	9.55	-44.56
C#CCCOC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300018402615	0	42	-1.0	-54.24	367.83	10.07	-44.17
CSC1=CC=C(NCC2=CC(C3=CC=CC=C3)=CS2)C=C1C(=O)[O-]	REAL300018402616	0	40	-1.0	-53.64	355.24	11.09	-42.55
CSC1=CC=C(NCC2=CC=C(F)C(C3=CC=CS3)=C2)C=C1C(=O)[O-]	REAL300018402617	0	40	-1.0	-54.43	365.90	11.30	-43.13
CSC1=CC=C(NCC2=CC3=C(C)NN=C3N=C2)C=C1C(=O)[O-]	REAL300018402618	0	38	-1.0	-62.99	332.26	7.04	-55.95
CSC1=CC=C(NCC2=CC=CC(OC3CCCC3)=C2)C=C1C(=O)[O-]	REAL300018402619	0	47	-1.0	-54.08	383.28	10.72	-43.36
CCC1=NC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)S1	REAL300018402620	0	35	-1.0	-53.66	317.38	7.24	-46.42
CSC1=CC=C(NCC2=CC=CC=C2N2C=NC=N2)C=C1C(=O)[O-]	REAL300018402621	0	39	-1.0	-59.24	335.56	11.56	-47.68
CSC1=CC=C(NCC2=CN(C)N=C2C2=CC=CN=C2)C=C1C(=O)[O-]	REAL300018402622	0	42	-1.0	-61.06	360.71	8.51	-52.55
CSC1=CC=C(NCC2=CN(C)N=C2C2=CC=NC=C2)C=C1C(=O)[O-]	REAL300018402623	0	42	-1.0	-57.86	360.91	8.56	-49.30
CSC1=CC=C(NCC2=CN=C3C=CC=CN23)C=C1C(=O)[O-]	REAL300018402624	0	36	-1.0	-57.69	316.03	8.95	-48.74
CSC1=CC=C(NCC2=CN=C(N(C)C)S2)C=C1C(=O)[O-]	REAL300018402625	0	37	-1.0	-55.67	330.81	7.45	-48.22
CSC1=CC=C(NCC2=CC=CC(OC(C)C)=C2)C=C1C(=O)[O-]	REAL300018402626	0	43	-1.0	-54.35	358.47	9.37	-44.98
CSC1=CC=C(NCC2=CN(C)N=C2C2=CC3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300018402627	0	46	-1.0	-62.25	401.21	10.38	-51.87
CSC1=CC=C(NCC2=CSC(C3=CC=C(C)C=C3)=N2)C=C1C(=O)[O-]	REAL300018402628	0	42	-1.0	-56.15	375.44	9.98	-46.17
CSC1=CC=C(NCC2=CSC(C(C)C)=N2)C=C1C(=O)[O-]	REAL300018402629	0	38	-1.0	-54.57	336.96	7.54	-47.03
CSC1=CC=C(NCC2=CSC(C3CC3)=N2)C=C1C(=O)[O-]	REAL300018402630	0	36	-1.0	-54.94	325.64	7.73	-47.21
CSC1=CC=C(NCC2=CC=CC(OCC3=CC=CC=C3F)=C2)C=C1C(=O)[O-]	REAL300018402631	0	47	-1.0	-55.06	404.18	11.97	-43.09
CSC1=CC=C(NCC2=CSC(COC3=CC=CC=C3)=N2)C=C1C(=O)[O-]	REAL300018402632	0	43	-1.0	-58.59	385.63	8.82	-49.77
CCC1=NC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=CS1	REAL300018402633	0	35	-1.0	-54.60	317.24	6.98	-47.62
CSC1=CC=C(NC(C)CCC2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300018402634	0	42	-1.0	-52.96	356.86	10.97	-41.99
CSC1=CC=C(NC(C)CCC2=CC=CC(C)=C2)C=C1C(=O)[O-]	REAL300018402635	0	45	-1.0	-53.44	371.86	11.57	-41.87
CSC1=CC=C(NC(C)CCC2=CC=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300018402636	0	45	-1.0	-52.93	389.20	11.89	-41.04
CSC1=CC=C(NC(C)CCC2=CC=C(C)C=C2)C=C1C(=O)[O-]	REAL300018402637	0	45	-1.0	-53.54	371.85	11.58	-41.96
CSC1=CC=C(NC2CCC(F)(F)CC2)C=C1C(=O)[O-]	REAL300018402638	0	36	-1.0	-53.43	301.16	8.23	-45.20
CSC1=CC=C(NCC2=CN(C)N=C2C2=CC=C([N+](=O)[O-])C=C2)C=C1C(=O)[O-]	REAL300018402640	0	45	-1.0	-59.85	393.91	11.00	-48.85
CSC1=CC=C(NC(C)CCC2=CC=C(OCC=C(C)C)C=C2)C=C1C(=O)[O-]	REAL300018402642	0	56	-1.0	-54.35	453.87	13.16	-41.19
CSC1=CC=C(NCC2=CSC(C(C)(C)C)=N2)C=C1C(=O)[O-]	REAL300018402643	0	41	-1.0	-54.52	355.89	8.05	-46.47
CSC1=CC=C(NCC2=CSC(C3=CSC=C3)=N2)C=C1C(=O)[O-]	REAL300018402644	0	36	-1.0	-55.34	345.08	8.24	-47.10
CSC1=CC=C(NCC2=CC=C(C3=CC=CC(F)=C3)S2)C=C1C(=O)[O-]	REAL300018402645	0	40	-1.0	-55.30	363.45	11.35	-43.95
CSC1=CC=C(NC2CCN(C3=CC=C(F)C=C3F)CC2)C=C1C(=O)[O-]	REAL300018402646	0	45	-1.0	-54.30	375.50	9.41	-44.89
CSC1=CC=C(NCC2=CC3=NC=CN=C3C=C2)C=C1C(=O)[O-]	REAL300018402647	0	37	-1.0	-58.10	325.23	6.94	-51.16
CSC1=CC=C(NCC2=CC=CC=C2OC2CCCC2)C=C1C(=O)[O-]	REAL300018402648	0	47	-1.0	-54.21	383.19	10.76	-43.45
CSC1=CC=C(NCC2=CN3C=C(Cl)C=CC3=N2)C=C1C(=O)[O-]	REAL300018402649	0	36	-1.0	-57.50	332.89	9.53	-47.97
CSC1=CC=C(NCC2=CN=C(C(C)(C)C)S2)C=C1C(=O)[O-]	REAL300018402650	0	41	-1.0	-53.58	356.03	8.31	-45.27
CSC1=CC=C(NCC2=C(C)SC(C)=C2)C=C1C(=O)[O-]	REAL300018402652	0	36	-1.0	-52.03	320.68	9.02	-43.01
CSC1=CC=C(NCC2=CC=C(C3=CC=C(C)C=C3)S2)C=C1C(=O)[O-]	REAL300018402653	0	43	-1.0	-54.09	378.44	11.96	-42.13
CSC1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300018402654	0	39	-1.0	-56.47	355.58	8.80	-47.67
COC1=C(Cl)C=C(Cl)C=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402655	0	37	-1.0	-53.88	351.83	8.94	-44.94
C#CCOC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300018402656	0	39	-1.0	-55.47	346.34	9.30	-46.17
CCOC1=C(OC)C=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1OC	REAL300018402657	0	48	-1.0	-57.25	402.95	8.58	-48.67
COCCCOC1=CC=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402660	0	47	-1.0	-55.84	395.72	8.62	-47.22
COC1=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=CC=C1SC	REAL300018402661	0	41	-1.0	-55.20	358.11	8.87	-46.33
CCC(C)OC1=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=CC=C1OC	REAL300018402662	0	50	-1.0	-55.45	408.48	10.05	-45.40
C=C(C)COC1=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=CC=C1OC	REAL300018402663	0	48	-1.0	-55.85	402.11	10.00	-45.85
COC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1OCCC(C)C	REAL300018402664	0	53	-1.0	-55.30	430.36	10.74	-44.56
CCOCC1=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=CC=C1OC	REAL300018402666	0	47	-1.0	-54.98	392.78	8.73	-46.25
CSC1=CC=C(NCC2=CC(C3=CC=CC=C3)=NN2)C=C1C(=O)[O-]	REAL300018402667	0	40	-1.0	-56.52	348.59	8.44	-48.08
CCOC1=CC=C([N+](=O)[O-])C=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402668	0	42	-1.0	-56.73	367.69	9.45	-47.28
CSC1=CC=C(NCC2=C(OCC(F)(F)F)N(C)N=C2C)C=C1C(=O)[O-]	REAL300018402669	0	43	-1.0	-58.13	386.60	7.03	-51.10
CCCC(CC1=CC=CC=C1)NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402670	0	45	-1.0	-54.86	371.19	11.88	-42.98
CSC1=CC=C(NCC2=CN(C3=CC=CC=C3)N=N2)C=C1C(=O)[O-]	REAL300018402671	0	39	-1.0	-60.60	342.10	8.34	-52.26
CSC1=CC=C(NCC2=NC(C3=CC=CC=C3)=CS2)C=C1C(=O)[O-]	REAL300018402672	0	39	-1.0	-56.32	352.29	9.28	-47.04
CCN1N=C(C)C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1C	REAL300018402673	0	42	-1.0	-55.92	352.90	8.17	-47.75
CSC1=CC=C(NC(C)CCC2=CC=C(C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300018402674	0	45	-1.0	-53.67	389.18	11.90	-41.77
C=CCOC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1Cl	REAL300018402675	0	41	-1.0	-54.60	369.48	9.88	-44.72
CSC1=CC=C(NCC2=CN=C(C3=CC=CC=C3)S2)C=C1C(=O)[O-]	REAL300018402676	0	39	-1.0	-55.27	354.22	9.55	-45.72
COCCC(CC1=CC=CC(F)=C1)NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402677	0	46	-1.0	-60.10	390.18	10.21	-49.89
CSC1=CC=C(NC2CCCC2CCC(C)C)C=C1C(=O)[O-]	REAL300018402678	0	48	-1.0	-51.88	369.35	11.27	-40.61
CCCCC1CCCC1NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402679	0	45	-1.0	-51.90	351.73	10.73	-41.17
COC1=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C2OC(C)CC2=C1	REAL300018402680	0	45	-1.0	-55.93	375.63	8.41	-47.52
CSC1=CC=C(NCC2=NN(C)C3=CC=CC=C32)C=C1C(=O)[O-]	REAL300018402681	0	39	-1.0	-57.15	339.14	8.42	-48.73
CSC1=CC=C(NCC2=NNC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300018402682	0	36	-1.0	-55.87	316.28	7.13	-48.74
CSC1=CC=C(NCC2=C3C=CC=CC3=NN2)C=C1C(=O)[O-]	REAL300018402682	1	36	-1.0	-56.55	316.08	7.13	-49.42
CSC1=CC=C(NCC2=CC=C(N(C)C)C(F)=C2)C=C1C(=O)[O-]	REAL300018402683	0	41	-1.0	-54.29	350.10	8.07	-46.22
CSC1=CC=C(NCC2=NC=CN2CC(F)(F)F)C=C1C(=O)[O-]	REAL300018402684	0	36	-1.0	-55.88	326.40	7.99	-47.89
CSC1=CC=C(NC(CC2=CC=CC(Cl)=C2)CC(C)C)C=C1C(=O)[O-]	REAL300018402686	0	48	-1.0	-57.54	401.74	12.68	-44.86
CSC1=CC=C(NCC2=CC=C3OC(C)(C)CC3=C2)C=C1C(=O)[O-]	REAL300018402687	0	44	-1.0	-54.27	366.61	9.77	-44.50
CSC1=CC=C(NCC2=COC(C3=CC=CC=C3)=N2)C=C1C(=O)[O-]	REAL300018402688	0	39	-1.0	-57.86	345.85	6.95	-50.91
CSC1=CC=C(NCC2=CSC(C3=CC=CS3)=N2)C=C1C(=O)[O-]	REAL300018402689	0	36	-1.0	-56.54	345.67	8.34	-48.20
CSC1=CC=C(NC(C)CC2=CSC=C2)C=C1C(=O)[O-]	REAL300018402690	0	36	-1.0	-54.20	318.37	9.05	-45.15
CSC1=CC=C(NCC2CCCCCCC2)C=C1C(=O)[O-]	REAL300018402691	0	45	-1.0	-51.43	333.28	9.77	-41.66
CSC1=CC=C(NCC2=CNN=C2C2=CC=CC(C)=C2)C=C1C(=O)[O-]	REAL300018402692	0	43	-1.0	-56.90	364.15	9.70	-47.20
COC1=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300018402693	0	40	-1.0	-54.03	357.42	8.81	-45.22
CSC1=CC=C(NCC2=CC=C(Br)C=C2Cl)C=C1C(=O)[O-]	REAL300018402694	0	33	-1.0	-52.76	324.89	9.55	-43.21
CSC1=CC=C(NC(C)CSC(C)(C)C)C=C1C(=O)[O-]	REAL300018402695	0	42	-1.0	-54.04	349.07	9.50	-44.54
CSC1=CC=C(NCC2=CN=C(N(C)C)N2C)C=C1C(=O)[O-]	REAL300018402696	0	41	-1.0	-55.54	347.81	7.58	-47.96
CSC1=CC=C(NCC2=NC(C3=CC=CC=C3)=CN2)C=C1C(=O)[O-]	REAL300018402697	0	40	-1.0	-59.76	348.11	8.80	-50.96
CSC1=CC=C(NCC2=CC=C(OCC(C)C)C=C2)C=C1C(=O)[O-]	REAL300018402698	0	46	-1.0	-53.25	382.15	10.24	-43.01
COCCOC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300018402699	0	44	-1.0	-55.47	374.17	8.02	-47.45
CCC(CC1=CC=C(Cl)C=C1Cl)NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402700	0	42	-1.0	-51.91	380.05	11.92	-39.99
CSC1=CC=C(NCC2CCCC(C)(C)C2)C=C1C(=O)[O-]	REAL300018402701	0	45	-1.0	-51.14	345.26	9.79	-41.35
CSC1=CC=C(NCC2=CC=C(OC(F)F)C(Cl)=C2)C=C1C(=O)[O-]	REAL300018402702	0	37	-1.0	-55.60	344.48	8.64	-46.96
CSC1=CC=C(NCC2=CC=C(N(C)C)C=C2C)C=C1C(=O)[O-]	REAL300018402703	0	44	-1.0	-53.45	357.40	9.61	-43.84
CSC1=CC=C(NCC2=CC=C3CCCC3=C2)C=C1C(=O)[O-]	REAL300018402704	0	40	-1.0	-52.89	334.70	10.43	-42.46
CSC1=CC=C(NC(C)CC2=CC=CC=C2C)C=C1C(=O)[O-]	REAL300018402705	0	42	-1.0	-54.45	344.34	10.55	-43.90
CSC1=CC=C(NC(C)CC2=CC=CC(C)=C2)C=C1C(=O)[O-]	REAL300018402706	0	42	-1.0	-54.09	348.84	10.79	-43.30
COC1=CC2=C(C=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1)OCO2	REAL300018402707	0	40	-1.0	-55.61	343.67	6.51	-49.10
COC1=CC(Cl)=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1OC	REAL300018402708	0	41	-1.0	-55.54	362.28	8.17	-47.37
COC1=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)SC=C1	REAL300018402709	0	34	-1.0	-54.22	309.32	6.92	-47.30
CSC1=CC=C(NCC2=CC=CC(OCC(C)C)=C2)C=C1C(=O)[O-]	REAL300018402710	0	46	-1.0	-54.01	382.15	10.24	-43.77
CSC1=CC=C(NCC2=CC=C(F)C3=CC=CC=C23)C=C1C(=O)[O-]	REAL300018402711	0	39	-1.0	-53.83	337.58	10.66	-43.17
C=CCOC1=C(Cl)C=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1OC	REAL300018402712	0	45	-1.0	-54.84	402.66	9.89	-44.95
COC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1CN1C=CC=N1	REAL300018402713	0	47	-1.0	-57.07	401.29	9.52	-47.55
CSC1=CC=C(NCC2=CC=CC=C2OCC(C)C)C=C1C(=O)[O-]	REAL300018402714	0	46	-1.0	-54.19	381.08	10.28	-43.91
CSC1=CC=C(NCC2=CC=CC3=C2OC(C)(C)C3)C=C1C(=O)[O-]	REAL300018402715	0	44	-1.0	-55.44	366.51	9.74	-45.70
CSC1=CC=C(NCC2=C(Cl)C=NC=C2Cl)C=C1C(=O)[O-]	REAL300018402716	0	32	-1.0	-51.83	312.65	7.57	-44.26
CSC1=CC=C(NCC2=NC3=C(CCCC3)S2)C=C1C(=O)[O-]	REAL300018402717	0	39	-1.0	-54.65	337.71	8.26	-46.39
CSC1=CC=C(NCC2=CC=NC=C2Br)C=C1C(=O)[O-]	REAL300018402718	0	32	-1.0	-53.97	302.83	7.29	-46.68
CSC1=CC=C(NCC2=CC=NC=C2Cl)C=C1C(=O)[O-]	REAL300018402719	0	32	-1.0	-54.09	298.93	7.16	-46.93
CSC1=CC=C(NCC(C)(C)N2CCOCC2)C=C1C(=O)[O-]	REAL300018402720	0	45	-1.0	-53.10	344.85	5.35	-47.75
CSC1=CC=C(NCC2=CC(F)=CC(Br)=C2)C=C1C(=O)[O-]	REAL300018402721	0	33	-1.0	-52.48	316.90	9.20	-43.28
CSC1=CC=C(NC(C)CC2=CC=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300018402722	0	39	-1.0	-52.61	349.00	10.56	-42.05
CSC1=CC=C(NCC2=CN(C)N=C2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300018402723	0	43	-1.0	-57.47	365.73	10.33	-47.14
CCC1=NC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=N1	REAL300018402724	0	37	-1.0	-55.08	322.15	7.12	-47.96
CSC1=CC=C(NCC2=CC=CC(N3C=CC=N3)=C2)C=C1C(=O)[O-]	REAL300018402725	0	40	-1.0	-59.05	347.61	9.72	-49.33
CSC1=CC=C(NCC2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300018402726	0	38	-1.0	-59.18	349.66	10.20	-48.98
CSC1=CC=C(NCC2=CC3=CC=NC=C3C=C2)C=C1C(=O)[O-]	REAL300018402727	0	38	-1.0	-55.11	330.19	9.00	-46.11
CSC1=CC=C(NCC2=CC(C)=C(Br)S2)C=C1C(=O)[O-]	REAL300018402728	0	33	-1.0	-52.16	320.69	8.94	-43.22
CSC1=CC=C(NCC2=CC=CC3=NNC=C32)C=C1C(=O)[O-]	REAL300018402729	0	36	-1.0	-56.63	315.31	7.23	-49.40
CSC1=CC=C(NCC2=CC=CC3=CNN=C32)C=C1C(=O)[O-]	REAL300018402730	0	36	-1.0	-60.61	315.47	7.21	-53.40
CSC1=CC=C(NCC2=CC3=CC(Br)=CC=C3O2)C=C1C(=O)[O-]	REAL300018402731	0	36	-1.0	-54.39	338.36	9.65	-44.74
CSC1=CC=C(NCC2=CN=C3CCCN23)C=C1C(=O)[O-]	REAL300018402732	0	37	-1.0	-57.27	315.20	8.09	-49.18
CSC1=CC=C(NC2CCN(S(C)(=O)=O)CC2)C=C1C(=O)[O-]	REAL300018402733	0	41	-1.0	-58.54	345.00	4.52	-54.02
COC1=CC(F)=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402734	0	37	-1.0	-53.91	325.11	7.89	-46.02
CSC1=CC=C(NC(C)CC2=CN=CC=N2)C=C1C(=O)[O-]	REAL300018402735	0	37	-1.0	-56.43	318.26	6.40	-50.03
CSC1=CC=C(NCC2=CN=C(C(C)(C)C)N=C2)C=C1C(=O)[O-]	REAL300018402736	0	43	-1.0	-54.96	360.82	8.49	-46.47
COC1=CC=CC=C1N1CCC(NC2=CC=C(SC)C(C(=O)[O-])=C2)CC1	REAL300018402737	0	49	-1.0	-54.37	386.94	8.61	-45.76
CSC1=CC=C(NCC2=CC=C(C)C=C2Cl)C=C1C(=O)[O-]	REAL300018402738	0	36	-1.0	-53.43	325.00	9.60	-43.83
COC1=CC=C(OC(F)F)C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402739	0	41	-1.0	-55.73	356.86	7.41	-48.32
CSC1=CC=C(NCC2=C(Cl)C=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300018402740	0	37	-1.0	-54.69	341.15	8.56	-46.13
CSC1=CC=C(NCC2=CC=C([N+](=O)[O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300018402741	0	35	-1.0	-56.84	329.87	9.56	-47.28
CSC1=CC=C(NCCC2=CC=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300018402742	0	36	-1.0	-52.21	327.42	9.81	-42.40
CSC1=CC=C(NC2CCCC2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300018402743	0	43	-1.0	-52.97	349.45	11.03	-41.94
CSC1=CC=C(NCC2=CC=C(OC3=CC=CN=C3)C(C)=C2)C=C1C(=O)[O-]	REAL300018402744	0	46	-1.0	-56.11	392.35	10.23	-45.88
CSC1=CC=C(NC(C)CC2=CC=C(F)C=C2Br)C=C1C(=O)[O-]	REAL300018402745	0	39	-1.0	-52.54	352.50	10.63	-41.91
CSC1=CC=C(NCC2=CN=C(C3=CC=C(C)C=C3)S2)C=C1C(=O)[O-]	REAL300018402746	0	42	-1.0	-55.05	375.62	10.23	-44.82
CSC1=CC=C(NCC2=CC(Cl)=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300018402747	0	38	-1.0	-56.26	346.00	9.52	-46.74
CSC1=CC=C(NCC2=C(Cl)C=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300018402748	0	38	-1.0	-57.66	342.93	9.45	-48.21
CSC1=CC=C(NCC2=CC=C(F)C3=CC=CN=C23)C=C1C(=O)[O-]	REAL300018402749	0	38	-1.0	-56.28	334.92	9.05	-47.23
CSC1=CC=C(NCC2=CC(F)=CC3=CC=CN=C32)C=C1C(=O)[O-]	REAL300018402750	0	38	-1.0	-56.46	335.70	9.08	-47.38
CSC1=CC=C(NCC2=CC=C(Cl)C3=CC=CN=C23)C=C1C(=O)[O-]	REAL300018402751	0	38	-1.0	-55.91	343.75	9.44	-46.47
CSC1=CC=C(NCC2=CC=C(S(C)=O)C=C2)C=C1C(=O)[O-]	REAL300018402752	0	38	-1.0	-63.85	341.40	7.12	-56.73
CSC1=CC=C(NCC2=CC=C([N+](=O)[O-])C=C2Cl)C=C1C(=O)[O-]	REAL300018402753	0	35	-1.0	-55.75	331.81	9.61	-46.14
CSC1=CC=C(NCC2=CC=CN2CCC(C)C)C=C1C(=O)[O-]	REAL300018402754	0	46	-1.0	-53.55	374.72	11.05	-42.50
CSC1=CC=C(NCC2=CC=C(C3=C(F)C=CC=C3F)O2)C=C1C(=O)[O-]	REAL300018402755	0	40	-1.0	-59.14	363.93	10.58	-48.56
CSC1=CC=C(NCC2=CC=C(C3=CC=C(F)C=C3C)O2)C=C1C(=O)[O-]	REAL300018402756	0	43	-1.0	-54.56	376.34	11.17	-43.39
CCC1=CC=C(C2=CC=C(CNC3=CC=C(SC)C(C(=O)[O-])=C3)O2)C=C1	REAL300018402757	0	46	-1.0	-55.60	392.32	11.87	-43.73
COC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300018402758	0	41	-1.0	-57.22	356.86	7.43	-49.79
CSC1=CC=C(NC2CCOC(C(C)C)C2)C=C1C(=O)[O-]	REAL300018402759	0	43	-1.0	-52.07	336.30	8.08	-43.99
CCN1C=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300018402760	0	46	-1.0	-57.31	387.26	11.21	-46.10
CSC1=CC=C(NCC2=CC=C3CCCCC3=C2)C=C1C(=O)[O-]	REAL300018402761	0	43	-1.0	-52.57	351.89	11.01	-41.56
CSC1=CC=C(NC2CCC(C3CCCCC3)CC2)C=C1C(=O)[O-]	REAL300018402762	0	52	-1.0	-51.13	387.50	11.70	-39.43
CSC1=CC=C(NC(C)CC(C)CC(C)C)C=C1C(=O)[O-]	REAL300018402763	0	47	-1.0	-51.98	364.99	10.37	-41.61
CSC1=CC=C(NCC(C)C2=CC=C(C)C=C2)C=C1C(=O)[O-]	REAL300018402764	0	42	-1.0	-51.78	347.69	10.54	-41.24
COC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1C(C)(C)C	REAL300018402765	0	49	-1.0	-53.32	389.87	10.50	-42.82
COCC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)O1	REAL300018402766	0	37	-1.0	-55.14	325.52	6.54	-48.60
CSC1=CC=C(NCC2=CC=CC(OC(C)(C)C)=C2)C=C1C(=O)[O-]	REAL300018402767	0	46	-1.0	-54.55	369.59	9.66	-44.89
CSC1=CC=C(NCC(C)C2CCCCC2)C=C1C(=O)[O-]	REAL300018402768	0	45	-1.0	-51.05	346.12	10.00	-41.05
CSC1=CC=C(NCC2=CC=C(S(N)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300018402769	0	38	-1.0	-60.43	343.42	3.48	-56.95
CSC1=CC=C(NC2CCC3=CC=CC(Cl)=C3C2)C=C1C(=O)[O-]	REAL300018402770	0	40	-1.0	-53.43	342.50	10.68	-42.75
CCOC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C(C)=C1	REAL300018402771	0	43	-1.0	-53.57	357.67	9.47	-44.10
COC1=CC(C)=CC=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402772	0	40	-1.0	-54.40	339.03	8.53	-45.87
CSC1=CC=C(NCC2CCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300018402773	0	43	-1.0	-53.61	349.69	11.00	-42.61
CSC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2N)C=C1C(=O)[O-]	REAL300018402774	0	35	-1.0	-51.97	332.19	7.52	-44.45
CSC1=CC=C(NC2CCC(C3=CC=C(F)C=C3)C2)C=C1C(=O)[O-]	REAL300018402775	0	43	-1.0	-53.31	355.85	11.11	-42.20
COCC1=CSC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402776	0	37	-1.0	-53.03	334.72	7.34	-45.69
CCCC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)S1	REAL300018402777	0	39	-1.0	-52.12	344.28	9.97	-42.15
CSC1=CC=C(NCC2=NC=CN2C(C)C)C=C1C(=O)[O-]	REAL300018402778	0	39	-1.0	-55.83	330.05	8.30	-47.53
CSC1=CC=C(NCC2=CC=CC([N+](=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300018402779	0	38	-1.0	-57.45	329.00	9.73	-47.72
CSC1=CC=C(NCC2=CC=C(Br)C(C)=C2)C=C1C(=O)[O-]	REAL300018402780	0	36	-1.0	-52.25	328.69	9.71	-42.54
COC1=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300018402781	0	37	-1.0	-53.82	334.72	8.37	-45.45
COC1=CC=CC(C)=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402782	0	40	-1.0	-54.10	334.36	8.40	-45.70
CSC1=CC=C(NCC2=C3OC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300018402783	0	36	-1.0	-56.25	316.54	8.84	-47.41
CSC1=CC=C(NCC2=NN(C3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300018402784	0	40	-1.0	-58.82	348.08	9.63	-49.19
CSC1=CC=C(NCC2=CN=C(C(F)(F)F)S2)C=C1C(=O)[O-]	REAL300018402785	0	32	-1.0	-53.97	315.26	6.93	-47.04
CCC1=NN(C)C=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402786	0	39	-1.0	-56.28	334.81	7.62	-48.66
CSC1=CC=C(NCC2=NN3CCCCC3=C2)C=C1C(=O)[O-]	REAL300018402787	0	40	-1.0	-57.19	333.79	7.84	-49.35
CCC1=CC=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402788	0	39	-1.0	-52.29	332.08	9.95	-42.34
COC1=NC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)S1	REAL300018402789	0	33	-1.0	-54.18	306.70	4.14	-50.04
CSC1=CC=C(NC2CC3=CC=C(Cl)C=C3C2)C=C1C(=O)[O-]	REAL300018402790	0	37	-1.0	-51.88	328.42	10.26	-41.62
CSC1=CC=C(NCC2=CC3=C(C=N2)OCCO3)C=C1C(=O)[O-]	REAL300018402791	0	38	-1.0	-56.85	328.62	5.86	-50.99
CSC1=CC=C(NCC2=CN=C3C=CC(Cl)=CN23)C=C1C(=O)[O-]	REAL300018402792	0	36	-1.0	-55.70	332.76	9.45	-46.25
CSC1=CC=C(NCC2=CN=C3C(C)=CC=CN23)C=C1C(=O)[O-]	REAL300018402793	0	39	-1.0	-57.71	337.48	9.54	-48.17
CSC1=CC=C(NCC2=CN=C(Cl)N2C)C=C1C(=O)[O-]	REAL300018402794	0	33	-1.0	-55.10	305.53	7.38	-47.72
CSC1=CC=C(NCC2=CN=C(Br)N2C)C=C1C(=O)[O-]	REAL300018402795	0	33	-1.0	-55.12	309.82	7.40	-47.72
CSC1=CC=C(NCC2=CN(C3=CC=C(F)C=C3)N=N2)C=C1C(=O)[O-]	REAL300018402796	0	39	-1.0	-59.60	348.51	8.41	-51.19
CSC1=CC=C(NCC2=CC(C(F)(F)F)=NN2)C=C1C(=O)[O-]	REAL300018402797	0	33	-1.0	-55.11	310.25	5.85	-49.26
CSC1=CC=C(NCC2=CC3=C(F)C=CC=C3N2)C=C1C(=O)[O-]	REAL300018402798	0	37	-1.0	-56.12	327.58	8.52	-47.60
CSC1=CC=C(NCC2=CC3=CC=C(F)C=C3N2)C=C1C(=O)[O-]	REAL300018402799	0	37	-1.0	-54.39	327.49	8.51	-45.88
CCOC1=CC=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=N1	REAL300018402800	0	39	-1.0	-55.52	338.22	6.10	-49.42
CSC1=CC=C(NCC2=CC=CC(Cl)=C2C)C=C1C(=O)[O-]	REAL300018402801	0	36	-1.0	-52.73	320.38	9.68	-43.05
CSC1=CC=C(NCC2=CC3=CC=NC=C3S2)C=C1C(=O)[O-]	REAL300018402802	0	35	-1.0	-54.44	321.32	8.27	-46.17
CSC1=CC=C(NCC2=CN=C3C=CC=C(C)N23)C=C1C(=O)[O-]	REAL300018402803	0	39	-1.0	-57.35	328.88	9.55	-47.80
CSC1=CC=C(NC(C)CCC2=NNC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300018402804	0	45	-1.0	-55.33	377.55	9.49	-45.84
C=CCCCCCC(C)NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402805	0	45	-1.0	-52.32	367.85	10.79	-41.53
CSC1=CC=C(NCC2=CC(C)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300018402806	0	36	-1.0	-52.50	327.33	9.69	-42.81
COCC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300018402807	0	40	-1.0	-53.46	344.26	8.25	-45.21
COCC(CC(C)(C)C)NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402808	0	45	-1.0	-53.50	352.61	8.53	-44.97
CSC1=CC=C(NCC2=CC3=CC=CC(F)=C3N=C2)C=C1C(=O)[O-]	REAL300018402809	0	38	-1.0	-59.11	336.61	8.96	-50.15
CSC1=CC=C(NCC2=CC3=CC=CN=C3C(C)=C2)C=C1C(=O)[O-]	REAL300018402810	0	41	-1.0	-56.14	350.43	9.72	-46.42
CSC1=CC=C(NC2CCCC(C(C)C)C2)C=C1C(=O)[O-]	REAL300018402811	0	45	-1.0	-52.34	341.51	10.13	-42.21
CCCOC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1C	REAL300018402812	0	46	-1.0	-53.38	382.12	10.29	-43.09
COC1=C(C)C=NC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1C	REAL300018402813	0	42	-1.0	-55.50	351.65	7.30	-48.20
COC1=CC2=CC=CC=C2C=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402814	0	43	-1.0	-55.41	363.45	10.13	-45.28
CSC1=CC=C(NC2CCCCC23CCCC3)C=C1C(=O)[O-]	REAL300018402815	0	46	-1.0	-52.14	342.99	10.62	-41.52
CSC1=CC=C(NCC2=CC=C(S(C)(=O)=O)S2)C=C1C(=O)[O-]	REAL300018402816	0	36	-1.0	-62.27	342.28	5.19	-57.08
CSC1=CC=C(NCC2=C3N=CC(Br)=CN3N=C2)C=C1C(=O)[O-]	REAL300018402817	0	35	-1.0	-57.15	333.10	8.05	-49.10
CSC1=CC=C(NCC2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)C=C1C(=O)[O-]	REAL300018402818	0	52	-1.0	-55.30	425.55	12.75	-42.55
CSC1=CC=C(NCC2=CC=CC(F)=C2N)C=C1C(=O)[O-]	REAL300018402819	0	35	-1.0	-53.26	306.56	6.54	-46.72
CCC(C)CN(C)C1=CC=C(F)C=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402821	0	53	-1.0	-53.58	414.51	12.02	-41.56
CCCCCN(C)C1=CC=C(F)C=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402822	0	53	-1.0	-53.15	432.13	11.48	-41.67
CSC1=CC=C(NCC2=CC=C(C(F)F)C=C2)C=C1C(=O)[O-]	REAL300018402823	0	36	-1.0	-54.28	321.37	9.39	-44.89
CSC1=CC=C(NCC2=CC3=CC(Cl)=CN=C3O2)C=C1C(=O)[O-]	REAL300018402824	0	35	-1.0	-56.90	328.61	6.48	-50.42
CSC1=CC=C(NCC2=CC=CC3=C2CCC3)C=C1C(=O)[O-]	REAL300018402825	0	40	-1.0	-52.64	333.41	10.34	-42.30
CSC1=CC=C(NCC2=CN(C)N=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300018402826	0	35	-1.0	-64.44	319.04	7.86	-56.58
CSC1=CC=C(NCC2=NC(Cl)=CS2)C=C1C(=O)[O-]	REAL300018402827	0	29	-1.0	-54.56	290.96	6.08	-48.48
COC1=NSC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402828	0	33	-1.0	-54.16	306.51	4.44	-49.72
CSC1=CC=C(NCC2=CN=C3C=CC(Br)=CN23)C=C1C(=O)[O-]	REAL300018402829	0	36	-1.0	-55.47	337.32	9.56	-45.91
CSC1=CC=C(NCC2=NC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300018402830	0	38	-1.0	-55.90	326.93	8.81	-47.09
COC1=CC=CC(Cl)=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402831	0	37	-1.0	-54.66	331.40	8.29	-46.37
CSC1=CC=C(NCC2=CN=C(C)N2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300018402832	0	43	-1.0	-55.56	368.22	10.79	-44.77
CCN(C1=CC=CC=C1)C1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300018402833	0	51	-1.0	-54.24	424.01	13.29	-40.95
CCCN1N=C(C)C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1C	REAL300018402834	0	45	-1.0	-55.61	373.36	8.87	-46.74
CCN(CC)C1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1F	REAL300018402835	0	47	-1.0	-54.11	389.66	9.69	-44.42
CCOC1CC(NC2=CC=C(SC)C(C(=O)[O-])=C2)C12CCCC2	REAL300018402836	0	47	-1.0	-51.53	369.44	9.53	-42.00
COC1=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C(SC)C=C1OC	REAL300018402837	0	45	-1.0	-56.42	385.52	8.63	-47.79
CSC1=CC=C(NC2CCN(C3=CC=C(N(C)C)C=C3)CC2)C=C1C(=O)[O-]	REAL300018402838	0	53	-1.0	-53.53	411.00	9.43	-44.10
CSC1=CC=C(NC(C)CCC2=CC=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300018402839	0	44	-1.0	-55.26	370.04	11.29	-43.97
CSC1=CC=C(NC2CCCC23CCCC3)C=C1C(=O)[O-]	REAL300018402840	0	43	-1.0	-51.63	325.31	10.20	-41.43
CCCC(CNC1=CC=C(SC)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300018402841	0	45	-1.0	-51.53	367.82	11.30	-40.23
CSC1=CC=C(NC2CC(C)CC(C3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300018402842	0	49	-1.0	-54.19	370.15	12.52	-41.67
CSC1=CC=C(NCC2=CN=C(C3CC3)O2)C=C1C(=O)[O-]	REAL300018402843	0	36	-1.0	-55.51	317.91	5.82	-49.69
CSC1=CC=C(NCC2=CC(F)=CC=C2OC(C)C)C=C1C(=O)[O-]	REAL300018402844	0	43	-1.0	-54.31	363.80	9.48	-44.83
CSC1=CC=C(NCC2=NC3=CC=C(F)C=C3S2)C=C1C(=O)[O-]	REAL300018402845	0	35	-1.0	-54.46	327.27	8.03	-46.43
CSC1=CC=C(NCC2=CC(F)=CC=C2OC(F)F)C=C1C(=O)[O-]	REAL300018402846	0	37	-1.0	-54.40	333.79	8.20	-46.20
COC1=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300018402847	0	43	-1.0	-54.94	363.67	10.13	-44.81
CCOC1=CN=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402848	0	39	-1.0	-54.94	335.48	6.92	-48.02
CCOC1=CC(F)=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402849	0	40	-1.0	-53.73	346.96	8.81	-44.92
COC1=CC=C(C(C)CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300018402850	0	43	-1.0	-53.13	355.77	9.15	-43.98
CSC1=CC=C(NCC2=CC(C3CC3)=NN2C)C=C1C(=O)[O-]	REAL300018402851	0	40	-1.0	-55.34	341.52	8.16	-47.18
CSC1=CC=C(NC2CCC3(CCCCC3)CC2)C=C1C(=O)[O-]	REAL300018402853	0	49	-1.0	-51.12	358.56	10.59	-40.53
CSC1=CC=C(NC(C)C(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300018402854	0	42	-1.0	-53.79	343.74	10.44	-43.35
CSC1=CC=C(NC2CC3=C(C2)C2=CC=CC=C2N3)C=C1C(=O)[O-]	REAL300018402855	0	41	-1.0	-54.24	343.16	9.77	-44.47
COC1=CC=CC2=C(CNC3=CC=C(SC)C(C(=O)[O-])=C3)C=CC=C12	REAL300018402857	0	43	-1.0	-55.04	360.40	9.98	-45.06
CSC1=CC=C(NCC2=CC=NN2CC2CC2)C=C1C(=O)[O-]	REAL300018402858	0	40	-1.0	-54.54	343.28	8.52	-46.02
CSC1=CC=C(NC(C)CCC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300018402859	0	41	-1.0	-55.80	345.28	9.12	-46.68
CSC1=CC=C(NCC2=CC=CC(C(C)C)=C2)C=C1C(=O)[O-]	REAL300018402860	0	42	-1.0	-52.30	349.41	10.44	-41.86
CSC1=CC=C(NCC2=CC=C(S(N)(=O)=O)O2)C=C1C(=O)[O-]	REAL300018402861	0	35	-1.0	-62.54	326.55	1.66	-60.88
CSC1=CC=C(NC2CC=C(C3=CC=C(F)C=C3)CC2)C=C1C(=O)[O-]	REAL300018402862	0	44	-1.0	-52.50	369.35	11.72	-40.78
CSC1=CC=C(NC2CCC3(CCOCC3)CC2)C=C1C(=O)[O-]	REAL300018402863	0	47	-1.0	-52.43	350.16	8.24	-44.19
COC1=CN=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1C	REAL300018402864	0	39	-1.0	-54.84	330.06	6.58	-48.26
CSC1=CC=C(NCC2=CC=CC(Cl)=C2N)C=C1C(=O)[O-]	REAL300018402865	0	35	-1.0	-52.53	315.48	7.02	-45.51
CSC1=CC=C(NCCC2=CC=C(F)C=C2Cl)C=C1C(=O)[O-]	REAL300018402866	0	36	-1.0	-52.53	330.85	9.78	-42.75
CSC1=CC=C(NCC2=CC3=CN=CC=C3O2)C=C1C(=O)[O-]	REAL300018402867	0	35	-1.0	-56.07	311.80	7.30	-48.77
CSC1=CC=C(NCC2=CC=C(C(F)(F)F)S2)C=C1C(=O)[O-]	REAL300018402868	0	33	-1.0	-52.79	320.06	8.82	-43.97
CSC1=CC=C(NCC2=CC3=C(C)C=CC=C3N2)C=C1C(=O)[O-]	REAL300018402869	0	40	-1.0	-54.68	342.03	9.09	-45.59
CCOC1CCC(NC2=CC=C(SC)C(C(=O)[O-])=C2)CC1	REAL300018402870	0	43	-1.0	-51.71	344.34	8.08	-43.63
CSC1=CC=C(NCC2=CSC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300018402871	0	33	-1.0	-53.10	319.81	8.65	-44.45
CCCOC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C(C)=C1	REAL300018402872	0	46	-1.0	-53.36	379.16	10.27	-43.09
COC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1OC1CC1	REAL300018402873	0	45	-1.0	-56.24	378.98	9.39	-46.85
CSC1=CC=C(NC2CCC3(CCCC3)CC2)C=C1C(=O)[O-]	REAL300018402874	0	46	-1.0	-51.15	347.80	10.22	-40.93
CSC1=CC=C(NCC2=CC=C(C(F)F)N=C2)C=C1C(=O)[O-]	REAL300018402875	0	35	-1.0	-54.52	318.61	7.60	-46.92
CSC1=CC=C(NC2CCC3=CC=CC=C3CC2)C=C1C(=O)[O-]	REAL300018402876	0	43	-1.0	-52.82	341.69	10.66	-42.16
CSC1=CC=C(NCC2=NC=C(Br)S2)C=C1C(=O)[O-]	REAL300018402877	0	29	-1.0	-52.80	295.67	6.39	-46.41
CCC1(C)CCC(NC2=CC=C(SC)C(C(=O)[O-])=C2)CC1	REAL300018402878	0	45	-1.0	-52.48	333.74	9.78	-42.70
CSC1=CC=C(NC2CCCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300018402879	0	43	-1.0	-51.84	343.87	10.76	-41.08
CSC1=CC=C(NCC2=CN(C)N=C2C(F)F)C=C1C(=O)[O-]	REAL300018402880	0	36	-1.0	-58.40	325.58	7.11	-51.29
CSC1=CC=C(NC(C)C2CCCCCC2)C=C1C(=O)[O-]	REAL300018402881	0	45	-1.0	-51.59	334.58	9.80	-41.79
CSC1=CC=C(NC(C)C2=CC=C(C3=CC=CC=C3)C=N2)C=C1C(=O)[O-]	REAL300018402882	0	45	-1.0	-58.53	376.02	11.07	-47.46
CCC1(CC)CCC(NC2=CC=C(SC)C(C(=O)[O-])=C2)CC1	REAL300018402883	0	48	-1.0	-51.17	352.79	9.97	-41.20
CSC1=CC=C(NCC2=CC=CC3=C2CCOC3)C=C1C(=O)[O-]	REAL300018402884	0	41	-1.0	-54.50	339.00	8.43	-46.07
CSC1=CC=C(NCC2CC2C2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300018402885	0	40	-1.0	-52.50	339.24	10.46	-42.04
CSC1=CC=C(NC(C)CC2=COC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300018402886	0	42	-1.0	-57.43	357.38	10.40	-47.03
CSC1=CC=C(NCC2=CC=CC(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300018402887	0	38	-1.0	-61.77	343.37	3.47	-58.30
CCCN1N=CC=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402888	0	39	-1.0	-54.25	332.33	7.74	-46.51
CSC1=CC=C(NCC2=CC3=CC=C(C)C=C3N2)C=C1C(=O)[O-]	REAL300018402889	0	40	-1.0	-54.68	342.45	9.10	-45.58
CSC1=CC=C(NCC2=C3CCCN3N=C2)C=C1C(=O)[O-]	REAL300018402890	0	37	-1.0	-56.75	315.67	7.11	-49.64
CSC1=CC=C(NCC2=NN3CCCC3=C2)C=C1C(=O)[O-]	REAL300018402891	0	37	-1.0	-58.66	315.73	7.02	-51.64
CSC1=CC=C(NCC2=NC=C(C(F)(F)F)S2)C=C1C(=O)[O-]	REAL300018402892	0	32	-1.0	-53.18	314.83	6.83	-46.35
CSC1=CC=C(NCC2=CC=CC(F)=C2OC(F)F)C=C1C(=O)[O-]	REAL300018402893	0	37	-1.0	-56.44	333.83	8.21	-48.23
CSC1=CC=C(NCC2=C(C)C=CC([N+](=O)[O-])=C2C)C=C1C(=O)[O-]	REAL300018402894	0	41	-1.0	-56.18	348.44	10.17	-46.01
CSC1=CC=C(NC2CCCCC(C3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300018402895	0	49	-1.0	-52.50	378.24	11.97	-40.53
CSC1=CC=C(NCC2=CC3=CC=CN=C3O2)C=C1C(=O)[O-]	REAL300018402896	0	35	-1.0	-59.78	311.84	5.99	-53.79
CSC1=CC=C(NCC2=CC=C(C3=CC(C)=CC(C)=C3)C=C2)C=C1C(=O)[O-]	REAL300018402897	0	49	-1.0	-54.26	406.22	13.26	-41.00
CSC1=CC=C(NC2CCCC2C2=CC=C(Cl)C=C2)C=C1C(=O)[O-]	REAL300018402898	0	43	-1.0	-54.95	360.68	11.82	-43.13
CSC1=CC=C(NCC2=CC=C(N3C=NC=N3)C(C)=C2)C=C1C(=O)[O-]	REAL300018402899	0	42	-1.0	-57.52	358.12	11.97	-45.55
CCC1CCCC(NC2=CC=C(SC)C(C(=O)[O-])=C2)CC1	REAL300018402900	0	45	-1.0	-51.16	339.11	9.77	-41.39
CSC1=CC=C(NC2CCCC(C)(C)CC2)C=C1C(=O)[O-]	REAL300018402901	0	45	-1.0	-51.16	338.38	9.48	-41.68
CSC1=CC=C(NC2CCCC(C(C)(C)C)CC2)C=C1C(=O)[O-]	REAL300018402902	0	51	-1.0	-51.01	369.89	10.54	-40.47
CSC1=CC=C(NCC2=CC3=CC(F)=CC=C3O2)C=C1C(=O)[O-]	REAL300018402903	0	36	-1.0	-54.80	323.49	9.10	-45.70
CSC1=CC=C(NCC2=CC=C(OCC(F)F)C=C2)C=C1C(=O)[O-]	REAL300018402904	0	40	-1.0	-57.78	353.56	9.07	-48.71
CSC1=CC=C(NCC2=CC3=C(C=C2OC(F)F)OCO3)C=C1C(=O)[O-]	REAL300018402905	0	40	-1.0	-57.02	353.42	6.80	-50.22
COC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C(Br)=C1	REAL300018402906	0	37	-1.0	-54.47	337.13	8.31	-46.16
COCC1=CC=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402907	0	40	-1.0	-53.45	344.26	8.24	-45.21
CSC1=CC=C(NCC2=CN(C3=CC=C(Cl)C=C3)N=C2C)C=C1C(=O)[O-]	REAL300018402908	0	43	-1.0	-56.19	386.08	10.81	-45.38
CSC1=CC=C(NCC2=CSC(CN(C)C)=N2)C=C1C(=O)[O-]	REAL300018402909	0	40	-1.0	-55.62	350.41	5.00	-50.62
CSC1=CC=C(NCC2=CC=C(SC3=CC=CC=C3)C=C2)C=C1C(=O)[O-]	REAL300018402910	0	44	-1.0	-54.12	389.79	12.62	-41.50
CSC1=CC=C(NCC2=CC(C)=C(C)C=C2OC(F)F)C=C1C(=O)[O-]	REAL300018402911	0	43	-1.0	-55.40	365.78	9.34	-46.06
CCC(CC1=CC=C(OC)C(OC)=C1)NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402912	0	50	-1.0	-58.74	407.81	10.24	-48.50
CSC1=CC=C(NCCC2=CC=C(C)C=C2)C=C1C(=O)[O-]	REAL300018402913	0	39	-1.0	-51.98	332.10	9.98	-42.00
COC1=CC(C)=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1OC	REAL300018402914	0	44	-1.0	-55.53	365.03	8.43	-47.10
CSC1=CC=C(NCC2=CC=CC=C2C2CC2)C=C1C(=O)[O-]	REAL300018402915	0	40	-1.0	-52.52	334.57	10.57	-41.95
CSC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300018402916	0	35	-1.0	-56.52	351.27	10.37	-46.15
CSC1=CC=C(NCC2=CC(Br)=C(C)S2)C=C1C(=O)[O-]	REAL300018402917	0	33	-1.0	-52.05	321.78	9.01	-43.04
CSC1=CC=C(NCCC2=CC=C(F)C=C2F)C=C1C(=O)[O-]	REAL300018402918	0	36	-1.0	-53.08	322.56	9.40	-43.68
CSC1=CC=C(NCCC2=CC(C)=CC(C)=C2)C=C1C(=O)[O-]	REAL300018402919	0	42	-1.0	-51.94	353.51	10.62	-41.32
CSC1=CC=C(NCC2=CNN=C2C2=CC=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300018402920	0	40	-1.0	-58.66	359.54	9.53	-49.13
CSC1=CC=C(NC2CCCCC2C2=CC=CC=C2Cl)C=C1C(=O)[O-]	REAL300018402921	0	46	-1.0	-51.00	372.10	12.84	-38.16
COC1=CC=C(CC(C)NC2=CC=C(SC)C(C(=O)[O-])=C2)C(C)=C1OC	REAL300018402922	0	50	-1.0	-57.95	404.41	9.88	-48.07
COC1=CC=C(N2C=C(CNC3=CC=C(SC)C(C(=O)[O-])=C3)C=N2)C=C1	REAL300018402923	0	44	-1.0	-57.75	377.51	9.02	-48.73
CSC1=CC=C(NC(C)CCC2=CSC=C2)C=C1C(=O)[O-]	REAL300018402924	0	39	-1.0	-53.09	340.43	9.83	-43.26
COCCC1=CC=C(OCC(C)NC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1	REAL300018402925	0	50	-1.0	-55.80	413.10	9.44	-46.36
CCC(CC1=CC=C(Br)C=C1)NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402926	0	42	-1.0	-55.77	371.39	11.70	-44.07
CSC1=CC=C(NCC2=CN(C3=CC=CC=C3Cl)N=C2C)C=C1C(=O)[O-]	REAL300018402927	0	43	-1.0	-58.97	381.46	10.98	-47.99
CSC1=CC=C(NCC2=CC=C(N(C)CC3=CC=CS3)C=C2)C=C1C(=O)[O-]	REAL300018402928	0	48	-1.0	-55.12	411.08	11.94	-43.18
CSC1=CC=C(NCC2=C(F)C=NC=C2Br)C=C1C(=O)[O-]	REAL300018402929	0	32	-1.0	-52.14	307.89	7.28	-44.86
CSC1=CC=C(NC2CCCC(C3=CC=C(Cl)C=C3)C2)C=C1C(=O)[O-]	REAL300018402930	0	46	-1.0	-53.65	379.58	12.37	-41.28
CSC1=CC=C(NC2CCCC2C2=CC=C(C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300018402931	0	46	-1.0	-53.82	388.23	12.03	-41.79
CSC1=CC=C(NCC2=CNN=C2C2=CSC=C2)C=C1C(=O)[O-]	REAL300018402932	0	37	-1.0	-56.53	334.00	7.97	-48.56
CSC1=CC=C(NCC2=CC(C3=CC=CC=N3)=NN2)C=C1C(=O)[O-]	REAL300018402933	0	39	-1.0	-58.37	345.38	6.75	-51.62
CSC1=CC=C(NC(C)CC2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300018402934	0	39	-1.0	-55.77	332.11	7.85	-47.92
CSC1=CC=C(NCC2=CN=C3C(=C2)C=NN3C)C=C1C(=O)[O-]	REAL300018402935	0	38	-1.0	-58.08	333.50	7.65	-50.43
CSC1=CC=C(NC(C)CCC2=CC=C(F)C=C2F)C=C1C(=O)[O-]	REAL300018402936	0	42	-1.0	-52.05	362.40	10.99	-41.06
CSC1=CC=C(NCC2=C(Cl)C=CC=C2SC(C)C)C=C1C(=O)[O-]	REAL300018402937	0	43	-1.0	-54.18	378.28	11.21	-42.97
CSC1=CC=C(NCC2=CC=C(Br)C=C2SC)C=C1C(=O)[O-]	REAL300018402938	0	37	-1.0	-53.05	348.14	10.02	-43.03
CCC(CC1=CC=C(C(F)(F)F)C=C1)NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402940	0	45	-1.0	-57.02	388.83	12.08	-44.94
COCC(CC1CCOCC1)NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402941	0	47	-1.0	-54.45	373.22	7.08	-47.37
CSC1=CC=C(NCCCC2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300018402942	0	39	-1.0	-57.11	335.01	7.86	-49.25
CSC1=CC=C(NC2CCCC2C2=CC=CC=C2Cl)C=C1C(=O)[O-]	REAL300018402943	0	43	-1.0	-52.29	358.55	11.89	-40.40
CSC1=CC=C(NCC2=CN=C(N3CCN(C)CC3)N=C2)C=C1C(=O)[O-]	REAL300018402944	0	48	-1.0	-56.49	392.56	6.80	-49.69
CSC1=CC=C(NC2CC=C(C3=CC=C(Cl)C=C3)CC2)C=C1C(=O)[O-]	REAL300018402945	0	44	-1.0	-51.92	379.66	12.17	-39.75
CSC1=CC=C(NCC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)C=C1C(=O)[O-]	REAL300018402946	0	46	-1.0	-59.25	382.09	10.34	-48.91
CSC1=CC=C(NCC2=NC3=CC(C(F)(F)F)=CC=C3N2C)C=C1C(=O)[O-]	REAL300018402947	0	42	-1.0	-57.82	375.04	9.86	-47.96
CSC1=CC=C(NC2CCCC2C2=CC=CC(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300018402948	0	46	-1.0	-55.01	382.74	12.27	-42.74
CSC1=CC=C(NCC2=NC3=C(CC(C)CC3)S2)C=C1C(=O)[O-]	REAL300018402949	0	42	-1.0	-54.27	358.51	8.87	-45.40
CCC1=CN=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)S1	REAL300018402950	0	35	-1.0	-53.83	317.38	7.23	-46.60
CSC1=CC=C(NCC2=CC=CC=C2N2CCCCC2)C=C1C(=O)[O-]	REAL300018402951	0	48	-1.0	-52.86	385.22	10.40	-42.46
CSC1=CC=C(NC2CCC3COCCC3C2)C=C1C(=O)[O-]	REAL300018402952	0	44	-1.0	-52.91	338.41	8.34	-44.57
CSC1=CC=C(NC2CC3(C2)COC(C)(C)C3)C=C1C(=O)[O-]	REAL300018402953	0	44	-1.0	-52.87	352.44	8.19	-44.68
CSC1=CC=C(NC2CC3(C2)COC(C)C3)C=C1C(=O)[O-]	REAL300018402954	0	41	-1.0	-53.03	331.75	7.51	-45.52
CSC1=CC=C(NC2CCOC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300018402955	0	41	-1.0	-52.41	336.09	8.96	-43.45
CSC1=CC=C(NC2CCCC3=C(C=CS3)C2)C=C1C(=O)[O-]	REAL300018402956	0	40	-1.0	-51.39	336.48	9.92	-41.47
CSC1=CC=C(NCC2=C3C(=CC=C2)N=CN3C)C=C1C(=O)[O-]	REAL300018402957	0	39	-1.0	-56.43	329.67	9.96	-46.47
COC1=CC=C(C)C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402958	0	40	-1.0	-53.86	335.81	8.53	-45.33
CSC1=CC=C(NCC2=NOC(C3CCC3)=C2)C=C1C(=O)[O-]	REAL300018402959	0	39	-1.0	-55.22	332.59	8.69	-46.53
CSC1=CC=C(NCC2=NOC(C3(C)CC3)=C2)C=C1C(=O)[O-]	REAL300018402960	0	39	-1.0	-54.99	336.76	8.65	-46.34
CCC1=CC=CC=C1CNC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300018402961	0	39	-1.0	-52.15	325.10	9.90	-42.25
CSC1=CC=C(NCC2=CC(C)=CC(F)=C2)C=C1C(=O)[O-]	REAL300018402962	0	36	-1.0	-53.13	317.01	9.26	-43.87
CSC1=CC=C(NCC2=CC=C(C)C(C)=C2C)C=C1C(=O)[O-]	REAL300018402963	0	42	-1.0	-52.59	341.05	10.35	-42.24
CSC1=CC=C(NCC2=CC=CC=C2C(C)(C)C)C=C1C(=O)[O-]	REAL300018402964	0	45	-1.0	-52.26	347.93	11.06	-41.20
CSC1=CC=C(NCC2=CN=C3CCCCCN23)C=C1C(=O)[O-]	REAL300018402965	0	43	-1.0	-55.81	345.27	8.91	-46.90
COC1=CC=C2SC(CNC3=CC=C(SC)C(C(=O)[O-])=C3)=CC2=C1	REAL300018402966	0	40	-1.0	-55.04	356.13	9.34	-45.70
CSC1=CC=C(NCC2=CON=C2C2CC2)C=C1C(=O)[O-]	REAL300018402967	0	36	-1.0	-55.16	317.47	8.11	-47.05
CSC1=CC=C(NCC2=CC(C3=CC=CC=C3)=NO2)C=C1C(=O)[O-]	REAL300018402968	0	39	-1.0	-57.28	344.16	9.68	-47.60
CCN1CCC2=CC(CNC3=CC=C(SC)C(C(=O)[O-])=C3)=CC=C21	REAL300018402969	0	45	-1.0	-53.28	366.09	9.02	-44.26
CSC1=CC=C(NC2CCC3(COC(C)(C)C3)CC2)C=C1C(=O)[O-]	REAL300018402970	0	50	-1.0	-53.49	378.57	9.04	-44.45
CSC1=CC=C(CNC2=CC=C(SC)C(C(=O)[O-])=C2)C=C1Cl	REAL300018402971	0	37	-1.0	-54.32	344.42	9.99	-44.33
CSC1=CC=C(NCC2=CC=C(C3CC3)C(C)=C2)C=C1C(=O)[O-]	REAL300018402972	0	43	-1.0	-52.63	356.22	11.14	-41.49
COC1=CC=CC2=C1CCCC(NC1=CC=C(SC)C(C(=O)[O-])=C1)C2	REAL300018402973	0	47	-1.0	-52.58	371.83	10.15	-42.43
CCOC1=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=CC=N1	REAL300018402974	0	39	-1.0	-54.82	338.13	6.17	-48.65
CSC1=CC=C(NCC2=CC=C(C)C(C3CC3)=C2)C=C1C(=O)[O-]	REAL300018402975	0	43	-1.0	-52.75	356.22	11.14	-41.61
CSC1=CC=C(NCC2=CC=C(N3C=CC(C)=N3)C=C2C)C=C1C(=O)[O-]	REAL300018402976	0	46	-1.0	-58.09	386.59	11.01	-47.08
CSC1=CC=C(NCC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C=C1C(=O)[O-]	REAL300018402977	0	39	-1.0	-52.86	360.39	10.40	-42.46
CSC1=CC=C(NCC2=CC=C(N3C=C(Cl)C=N3)C=C2C)C=C1C(=O)[O-]	REAL300018402978	0	43	-1.0	-55.85	381.86	10.93	-44.92
CSC1=CC=C(NCC2=CC=C(N3C=C(Cl)C(C)=N3)C=C2)C=C1C(=O)[O-]	REAL300018402979	0	43	-1.0	-56.30	386.11	10.80	-45.50
CSC1=CC=C(NC2CCCC2CC(C)C)C=C1C(=O)[O-]	REAL300018402980	0	45	-1.0	-51.54	352.97	10.13	-41.41
CSC1=CC=C(NCC2=CN=C(C3CCOCC3)O2)C=C1C(=O)[O-]	REAL300018402981	0	43	-1.0	-55.89	361.47	4.98	-50.91
CSC1=CC=C(NCC2=NOC(C3CC3)=C2)C=C1C(=O)[O-]	REAL300018402982	0	36	-1.0	-55.16	317.77	8.23	-46.93
CSC1=CC=C(NCC2=CC=C3OC(C)C(C)C3=C2)C=C1C(=O)[O-]	REAL300018402983	0	44	-1.0	-54.45	362.59	9.62	-44.83
CSC1=CC=C(NCC2=CC=C(C)C(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300018402984	0	40	-1.0	-56.11	348.52	8.85	-47.26
CSC1=CC=C(NCC2=CC(C(C)C)=CC=C2O)C=C1C(=O)[O-]	REAL300018402985	0	43	-1.0	-52.25	359.45	7.62	-44.63
CSC1=CC=C(NCC2=C(C)C(C(F)(F)F)=NN2)C=C1C(=O)[O-]	REAL300018402986	0	36	-1.0	-54.87	328.87	6.43	-48.44
CSC1=CC=C(NC2CCC3(CCC3)CC2)C=C1C(=O)[O-]	REAL300018402987	0	43	-1.0	-51.24	333.98	9.73	-41.51
CSC1=CC=C(NCC2=CC=C(C)C(O)=C2)C=C1C(=O)[O-]	REAL300018402988	0	37	-1.0	-54.77	320.29	6.42	-48.35
CSC1=CC=C(NCC2=NC(C3CC3)=CS2)C=C1C(=O)[O-]	REAL300018402989	0	36	-1.0	-54.47	324.83	7.72	-46.75
CSC1=CC=C(NCC2=CN(CC3CC3)N=N2)C=C1C(=O)[O-]	REAL300018402990	0	39	-1.0	-59.78	338.73	7.41	-52.37
CSC1=CC=C(NCC2=CC=C3CCOC3=C2)C=C1C(=O)[O-]	REAL300018402991	0	38	-1.0	-55.03	325.05	8.37	-46.66
CSC1=CC=C(NCC2=NC3=C(CCCC3)N2)C=C1C(=O)[O-]	REAL300018402992	0	40	-1.0	-57.25	332.15	7.57	-49.68
CSC1=CC=C(NCC2=CC=C3COCCC3=C2)C=C1C(=O)[O-]	REAL300018402993	0	41	-1.0	-54.16	342.90	8.61	-45.55
CSC1=CC=C(NCC2=C(C)C=CC=C2F)C=C1C(=O)[O-]	REAL300018402994	0	36	-1.0	-53.82	311.51	9.06	-44.76
CSC1=CC=C(NCC2=CC=CC=C2C2CCC2)C=C1C(=O)[O-]	REAL300018402995	0	43	-1.0	-52.35	350.69	11.02	-41.33
CSC1=CC=C(NCC2=CN(C)N=C2C2CCOCC2)C=C1C(=O)[O-]	REAL300018402996	0	47	-1.0	-56.72	386.98	7.66	-49.06
CSC1=CC=C(NCC2=CN=CC(C3=CC=CN=C3)=C2)C=C1C(=O)[O-]	REAL300018402997	0	41	-1.0	-57.23	353.48	8.37	-48.86
CSC1=CC=C(NC2CC(COCC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300018402998	0	47	-1.0	-54.12	391.71	10.63	-43.49
CSC1=CC=CC(CNC2=CC=C(SC)C(C(=O)[O-])=C2)=C1	REAL300018402999	0	37	-1.0	-54.03	329.41	9.53	-44.50
CSC1=CC=C(NCC2=CC=NN2C(C)(C)C)C=C1C(=O)[O-]	REAL300018403000	0	42	-1.0	-53.81	340.01	8.44	-45.37
O=C([O-])C(NCC1=NC=CS1)C1=CC=C(Br)C(Cl)=C1	REAL300018405966	0	28	-1.0	-48.74	297.13	6.16	-42.58
O=C([O-])C(NCC1=CN=CN=C1)C1=CC=C(Br)C(Cl)=C1	REAL300018405968	1	30	-1.0	-39.92	300.65	6.94	-32.98
O=C([O-])C(NCC1=CN=CS1)C1=CC=C(Br)C(Cl)=C1	REAL300018405976	1	28	-1.0	-40.14	295.91	6.13	-34.01
CN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405978	1	32	-1.0	-49.34	312.76	8.10	-41.24
CC1=NN(C)C(CNC(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)=C1	REAL300018405980	1	35	-1.0	-45.85	335.16	7.11	-38.74
O=C([O-])C(NCC1=CSC=N1)C1=CC=C(Br)C(Cl)=C1	REAL300018405982	0	28	-1.0	-44.68	296.96	6.03	-38.65
CN1N=CC=C1CNC(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405983	1	32	-1.0	-41.33	311.64	6.49	-34.84
COC1=NC=CC=C1CNC(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405984	1	35	-1.0	-47.59	337.18	5.65	-41.94
CC1=NC=C(CNC(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)S1	REAL300018405985	1	31	-1.0	-45.83	319.30	6.91	-38.92
CC1=NC=C(CNC(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)C=N1	REAL300018405987	1	33	-1.0	-43.70	322.72	6.97	-36.73
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)S1	REAL300018405988	1	34	-1.0	-45.57	340.78	7.67	-37.90
O=C([O-])C(NCC1=CN=C2C=CC=CN12)C1=CC=C(Br)C(Cl)=C1	REAL300018405989	1	35	-1.0	-46.63	337.86	9.37	-37.26
CCC1=NC(CNC(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)=CS1	REAL300018405990	0	34	-1.0	-50.71	340.36	7.51	-43.20
CCN1C=CN=C1CNC(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405995	0	35	-1.0	-53.27	329.36	8.37	-44.90
CN1C=CC(CNC(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)=N1	REAL300018405998	0	32	-1.0	-49.55	313.87	6.65	-42.90
CC1=NSC(CNC(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)=C1	REAL300018406000	1	31	-1.0	-39.66	317.72	7.31	-32.35
CC1=CC=C(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1F	REAL300018408848	0	37	-1.0	-52.78	320.05	8.94	-43.84
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC(Cl)=CC=C2[N+](=O)[O-])=C1	REAL300018408850	0	36	-1.0	-57.74	331.77	9.42	-48.32
CC1(C)CC(NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)CC(C)(C)C1	REAL300018408851	0	49	-1.0	-54.66	365.39	9.73	-44.93
O=C([O-])C1=CC2=CC=CN=C2C(NC2CCC3=CC(Br)=CC=C3C2)=C1	REAL300018408852	0	41	-1.0	-53.90	353.83	10.58	-43.32
CC(CCC1=CNC2=CC=CC=C12)NC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300018408853	0	47	-1.0	-57.44	386.44	10.66	-46.78
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C(Cl)=C1OC	REAL300018408854	0	42	-1.0	-56.20	369.69	7.98	-48.22
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=C(C3=CC=CS3)C=C2)=C1	REAL300018408855	0	41	-1.0	-53.45	360.69	10.85	-42.60
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC3=CC=CC=C3S2)=C1	REAL300018408856	0	37	-1.0	-53.97	330.72	9.76	-44.21
CC(C)OC1=CC=C(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1	REAL300018408857	0	44	-1.0	-53.21	362.61	9.09	-44.12
CCCCCCCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1	REAL300018408858	0	56	-1.0	-52.61	452.18	12.38	-40.23
CC(CNC1=CC(C(=O)[O-])=CC2=CC=CN=C21)CC1=CC=C(C(C)(C)C)C=C1	REAL300018408859	0	55	-1.0	-52.77	427.38	12.63	-40.14
CC1=CC(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=CC=C1F	REAL300018408860	0	37	-1.0	-51.35	320.05	8.93	-42.42
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=C3NC=CC3=CC=C2)=C1	REAL300018408861	0	38	-1.0	-54.04	324.70	8.23	-45.81
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CSC([N+](=O)[O-])=C2)=C1	REAL300018408862	0	33	-1.0	-53.15	313.38	8.02	-45.13
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=CC=C2N2CCOCC2)=C1	REAL300018408863	0	47	-1.0	-55.12	379.96	7.64	-47.48
CC(C)CC1=CC=C(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1	REAL300018408864	0	46	-1.0	-52.94	374.53	10.91	-42.03
CC1=CC=C(C2=CC=CC(CNC3=CC(C(=O)[O-])=CC4=CC=CN=C43)=C2)C=C1	REAL300018408865	0	47	-1.0	-54.93	388.95	12.31	-42.62
CC1=CC(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=CC(C)=C1	REAL300018408866	0	40	-1.0	-53.44	336.14	9.55	-43.89
COC1=CC=C(Br)C(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300018408867	0	38	-1.0	-54.87	341.05	8.10	-46.77
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1[N+](=O)[O-]	REAL300018408868	0	40	-1.0	-57.62	348.85	8.96	-48.66
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC(Cl)=CC(Cl)=C2)=C1	REAL300018408869	0	34	-1.0	-50.09	326.79	9.24	-40.85
CC1=CC=CC(C)=C1CNC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300018408870	0	40	-1.0	-53.23	327.95	9.28	-43.95
CC1=CC=CC=C1C1=CC=CC(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300018408871	0	47	-1.0	-54.54	389.40	12.31	-42.23
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=CC(OC(F)F)=C2)=C1	REAL300018408872	0	38	-1.0	-54.71	332.58	7.81	-46.90
CCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1OCC	REAL300018408873	0	48	-1.0	-54.65	395.79	9.27	-45.38
CC(C)C1CCC(NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)CC1	REAL300018408874	0	46	-1.0	-53.95	350.02	9.53	-44.42
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=C(Cl)C(C(F)(F)F)=C2)=C1	REAL300018408875	0	37	-1.0	-51.22	345.22	9.64	-41.58
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=C(F)C=C2Br)=C1	REAL300018408876	0	34	-1.0	-51.75	318.19	8.79	-42.96
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300018408877	0	37	-1.0	-51.58	332.96	7.33	-44.25
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=NC3=CC=CC=C23)=C1	REAL300018408878	0	39	-1.0	-53.82	331.49	8.46	-45.36
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300018408879	0	38	-1.0	-51.66	339.33	8.02	-43.64
CS(=O)(=O)C1=CC=C(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1	REAL300018408880	0	40	-1.0	-59.27	354.01	5.75	-53.52
COC1=CC=CC=C1C1=CC=C(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1	REAL300018408881	0	48	-1.0	-55.73	401.56	11.29	-44.44
CC(CCOCC1=CC=CC=C1)NC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300018408882	0	47	-1.0	-54.01	388.56	9.88	-44.13
O=C([O-])C1=CC2=CC=CN=C2C(NC2CC(C3=CC=C(Cl)C=C3)C2)=C1	REAL300018408883	0	41	-1.0	-52.50	353.39	10.63	-41.87
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)=C1	REAL300018408884	0	44	-1.0	-53.34	384.27	12.16	-41.18
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)=C1	REAL300018408885	0	44	-1.0	-53.96	384.27	12.15	-41.81
CC(C)CCCC(C)NC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300018408886	0	45	-1.0	-53.15	355.19	9.65	-43.50
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C2=CC=CC=C12	REAL300018408887	0	44	-1.0	-54.96	364.52	9.69	-45.27
CCC1=CC=C(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)S1	REAL300018408888	0	37	-1.0	-52.69	326.92	8.90	-43.79
CN1C2=CC=CC=C2N=C1CNC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300018408889	0	40	-1.0	-56.46	340.59	8.56	-47.90
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=C3OCCC3=C2)=C1	REAL300018408890	0	39	-1.0	-53.57	329.22	8.06	-45.51
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CSC(Br)=C2)=C1	REAL300018408891	0	31	-1.0	-50.82	304.98	7.90	-42.92
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=CC=C2OCC2=CC=NC=C2)=C1	REAL300018408892	0	47	-1.0	-60.05	398.41	9.79	-50.26
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=CC=C2OCC2=CC=CN=C2)=C1	REAL300018408893	0	47	-1.0	-60.66	398.37	9.76	-50.90
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=C(N3CCCC3)N=C2)=C1	REAL300018408894	0	45	-1.0	-53.13	367.26	8.14	-44.99
CS(=O)(=O)NC1=CC=CC(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300018408895	0	42	-1.0	-64.44	370.59	4.85	-59.59
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=C3C=CNC3=CC=C2)=C1	REAL300018408896	0	38	-1.0	-57.51	324.51	8.25	-49.26
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=C3C=CNC3=C2)=C1	REAL300018408897	0	38	-1.0	-55.57	324.69	8.26	-47.31
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CN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426356	1	35	-1.0	-40.88	312.84	7.96	-32.92
CC1=NN(C)C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426358	1	38	-1.0	-40.86	336.31	6.98	-33.88
O=C([O-])C(NCC1=CC=CC2=C1OC(F)(F)O2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426360	1	38	-1.0	-41.82	352.25	7.91	-33.91
O=C([O-])C(NCC1=CSC=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426365	0	31	-1.0	-46.58	298.36	5.84	-40.74
O=C([O-])C(NCC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426368	1	42	-1.0	-41.05	377.92	10.11	-30.94
CC(C)(C)N1C=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018426369	1	44	-1.0	-48.71	377.71	8.77	-39.94
CN1N=CC=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426370	1	35	-1.0	-40.41	314.37	6.40	-34.01
O=C([O-])C(NCC1=CN=C(N2CCCC2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426371	1	45	-1.0	-41.88	382.65	8.74	-33.14
O=C([O-])C(NCC1=CSC(C2=CC=CC=N2)=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426375	0	40	-1.0	-48.99	374.04	7.75	-41.24
COC1=NC=CC=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426376	1	38	-1.0	-46.64	341.16	5.65	-40.99
O=C([O-])C(NCC1=CC=C(Br)C=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426377	1	34	-1.0	-39.55	329.92	7.64	-31.91
CC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018426379	1	34	-1.0	-41.30	319.38	6.79	-34.51
O=C([O-])C(NCC1=CC=CC2=C1OCCO2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426380	1	41	-1.0	-44.87	356.05	8.00	-36.87
O=C([O-])C(NCC1=CC=CC2=C1OCCCO2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426381	1	44	-1.0	-43.60	374.50	8.79	-34.81
O=C([O-])C(NCC1=CN=C(C2=CC=CC=C2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426384	1	43	-1.0	-46.04	384.11	10.23	-35.81
O=C([O-])C(NCC1=CN=C(N2CCOCC2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426385	1	46	-1.0	-41.61	390.84	7.20	-34.41
CC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018426391	1	36	-1.0	-43.76	325.32	6.89	-36.87
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018426393	1	37	-1.0	-41.64	341.93	7.54	-34.10
CC(C)C1=NC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018426397	0	40	-1.0	-45.58	362.97	7.92	-37.66
O=C([O-])C(NCC1=CSC(C2CC2)=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426398	0	38	-1.0	-43.54	350.23	8.05	-35.49
CCC1=NC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018426399	0	37	-1.0	-47.10	341.80	7.31	-39.79
CC(C)(C)C1=NC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018426406	0	43	-1.0	-51.63	381.87	8.44	-43.19
O=C([O-])C(NCC1=CSC(C2=CSC=C2)=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426407	0	38	-1.0	-45.15	370.84	8.67	-36.48
O=C([O-])C(NCC1=CN2C=C(Cl)C=CC2=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426409	1	38	-1.0	-53.67	357.55	9.93	-43.74
CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018426410	0	43	-1.0	-41.97	380.59	8.61	-33.36
CCN1C=CN=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426421	0	38	-1.0	-43.54	336.70	8.19	-35.35
O=C([O-])C(NCC1=CN(C2=CC=CC=C2)N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426424	0	41	-1.0	-46.95	368.11	8.72	-38.23
O=C([O-])C(NCC1=NC(C2=CC=CC=C2)=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426425	0	41	-1.0	-52.85	378.06	9.71	-43.14
COC1=CC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C2OC(C)CC2=C1	REAL300018426429	1	47	-1.0	-48.81	401.62	8.76	-40.05
CN1N=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C2=CC=CC=C21	REAL300018426430	1	41	-1.0	-46.11	363.57	8.78	-37.33
CN1C=CC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426431	0	35	-1.0	-46.49	316.64	6.54	-39.95
O=C([O-])C(NCC1=NC=CN1CC(F)(F)F)C1=CC=C(C(F)(F)F)C=C1	REAL300018426434	0	38	-1.0	-44.24	352.40	8.38	-35.86
CC1=NSC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426437	1	34	-1.0	-42.37	320.30	7.25	-35.12
O=C([O-])C(NCC1=COC(C2=CC=CC=C2)=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426438	0	41	-1.0	-46.37	371.86	7.31	-39.06
O=C([O-])C(NCC1=CSC(C2=CC=CS2)=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426439	0	38	-1.0	-46.57	371.68	8.71	-37.86
CC1=CSC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426441	0	34	-1.0	-49.70	321.79	6.61	-43.09
CN(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N1C	REAL300018426444	1	43	-1.0	-40.54	371.30	7.89	-32.65
O=C([O-])C(NCC1=NC(C2=CC=CC=C2)=CN1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426445	0	42	-1.0	-44.05	372.55	9.18	-34.87
COC1=CC2=C(C=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)OCO2	REAL300018426456	1	42	-1.0	-47.99	368.20	6.91	-41.08
COC1=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)SC=C1	REAL300018426457	1	36	-1.0	-45.98	333.87	7.24	-38.74
CC1(C)CC2=CC=CC(CNC(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=C2O1	REAL300018426463	1	46	-1.0	-49.63	392.50	10.10	-39.53
O=C([O-])C(NCC1=NC2=C(CCCC2)S1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426464	0	41	-1.0	-50.55	363.48	8.68	-41.87
O=C([O-])C(NCC1=CC=NC=C1Br)C1=CC=C(C(F)(F)F)C=C1	REAL300018426465	0	34	-1.0	-43.66	327.96	7.65	-36.01
O=C([O-])C(NCC1=CC=NC=C1Cl)C1=CC=C(C(F)(F)F)C=C1	REAL300018426466	1	34	-1.0	-44.76	324.90	7.54	-37.22
CC1=CC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=NN1C	REAL300018426467	0	38	-1.0	-54.03	337.52	7.07	-46.96
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018426469	1	39	-1.0	-43.96	347.90	7.54	-36.42
CC1=CC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300018426471	0	34	-1.0	-42.69	310.53	7.01	-35.68
CCN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426472	1	38	-1.0	-40.75	329.06	8.93	-31.82
CC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N1C	REAL300018426473	1	38	-1.0	-42.30	334.95	7.81	-34.49
O=C([O-])C(NCC1=CN=C2CCCN12)C1=CC=C(C(F)(F)F)C=C1	REAL300018426475	1	39	-1.0	-51.17	340.96	8.53	-42.64
O=C([O-])C(NCC1=CC=C(F)C=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426477	1	34	-1.0	-39.61	315.01	7.11	-32.50
CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018426481	1	45	-1.0	-44.11	386.57	8.91	-35.20
CC1=NOC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426482	0	34	-1.0	-47.64	312.12	7.07	-40.57
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=CO1	REAL300018426483	1	35	-1.0	-47.32	315.11	7.73	-39.59
CC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(Cl)=C1	REAL300018426484	1	38	-1.0	-44.72	348.15	10.02	-34.70
O=C([O-])C(NCC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426485	1	37	-1.0	-40.28	354.30	9.90	-30.38
O=C([O-])C(NCC1=NOC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426487	0	31	-1.0	-43.32	288.76	6.14	-37.18
O=C([O-])C(NCC1=C(Cl)C=CC2=CC=CN=C21)C1=CC=C(C(F)(F)F)C=C1	REAL300018426489	1	40	-1.0	-55.98	368.91	9.81	-46.17
O=C([O-])C(NCC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=C(C(F)(F)F)C=C1	REAL300018426491	0	37	-1.0	-40.05	350.66	9.91	-30.14
COCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300018426500	0	39	-1.0	-45.85	350.07	6.84	-39.01
CC1=CN=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300018426504	0	34	-1.0	-43.59	310.09	4.38	-39.21
CC1=CNC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426506	0	35	-1.0	-42.70	315.12	6.16	-36.54
COC1=CC(C)=CC=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426508	1	42	-1.0	-48.75	364.89	8.91	-39.84
NC1=C(Cl)C=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426509	1	37	-1.0	-42.96	357.03	8.00	-34.96
CC1=NC(C)=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300018426511	0	37	-1.0	-45.03	333.26	5.04	-39.99
CC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018426514	1	37	-1.0	-43.47	330.04	7.69	-35.78
O=C([O-])C(NCC1=CC=NS1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426515	1	31	-1.0	-45.32	299.76	6.76	-38.56
CC(C)N1C=CN=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426516	0	41	-1.0	-44.67	356.06	8.70	-35.97
O=C([O-])C(NCC1=NN(C2=CC=CC=C2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426521	0	42	-1.0	-55.77	372.75	10.03	-45.74
O=C([O-])C(NCC1=CN=C(C(F)(F)F)S1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426522	1	34	-1.0	-37.60	338.75	7.24	-30.36
CCC1=NN(C)C=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426524	1	41	-1.0	-46.35	359.38	8.01	-38.34
O=C([O-])C(NCC1=NN2CCCCC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426525	0	42	-1.0	-53.85	358.45	8.24	-45.61
COC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018426527	1	35	-1.0	-41.17	331.26	4.44	-36.73
CC1=NC=CN=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426529	1	36	-1.0	-41.26	319.65	5.63	-35.63
O=C([O-])C(NCC1=CC2=C(C=N1)OCCO2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426531	1	40	-1.0	-51.51	354.59	6.24	-45.27
CCN1N=CN=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426535	0	37	-1.0	-39.67	331.99	8.06	-31.61
CN1C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CN=C1Cl	REAL300018426536	1	35	-1.0	-38.01	329.02	7.69	-30.32
CN1C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CN=C1Br	REAL300018426537	1	35	-1.0	-38.09	333.32	7.72	-30.37
O=C([O-])C(NCC1=CN(C2=CC=C(F)C=C2)N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426538	0	41	-1.0	-44.00	374.28	8.84	-35.16
O=C([O-])C(NCC1=CC(C(F)(F)F)=NN1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426539	1	35	-1.0	-40.31	336.02	6.28	-34.03
CC1=CN=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N1C	REAL300018426540	0	38	-1.0	-53.54	335.36	7.80	-45.74
CCOC1=CC=CC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426543	1	41	-1.0	-51.28	362.88	6.51	-44.77
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)SN=N1	REAL300018426556	0	33	-1.0	-42.34	314.36	6.04	-36.30
COC1=C(C)C=NC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1C	REAL300018426558	1	44	-1.0	-50.74	377.67	7.69	-43.05
COC1=CC2=CC=CC=C2C=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426559	1	45	-1.0	-45.45	386.94	10.42	-35.03
CS(=O)(=O)C1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018426561	1	38	-1.0	-49.46	365.78	5.51	-43.95
O=C([O-])C(NCC1=CC2=CC(Cl)=CN=C2O1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426564	1	37	-1.0	-42.59	354.37	6.91	-35.68
O=C([O-])C(NCC1=NC(Cl)=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426566	0	31	-1.0	-41.35	316.96	6.44	-34.91
COC1=NSC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426567	1	35	-1.0	-42.91	332.27	4.86	-38.05
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=NN1C	REAL300018426569	1	38	-1.0	-45.16	333.20	7.03	-38.13
O=C([O-])C(NCC1=CN=C(C2CC2)O1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426574	0	38	-1.0	-42.24	342.49	6.13	-36.11
O=C([O-])C(NCC1=NC2=CC=C(F)C=C2S1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426576	0	37	-1.0	-43.43	353.24	8.41	-35.02
CCOC1=CN=CC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426578	1	41	-1.0	-42.97	359.91	7.26	-35.71
CN1N=C(C2CC2)C=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426581	1	42	-1.0	-40.94	366.09	8.48	-32.46
O=C([O-])C(NCC1=CC=NN1CC1CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426587	1	42	-1.0	-40.90	368.71	8.89	-32.01
CN1N=CN=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426590	0	34	-1.0	-39.31	309.02	7.09	-32.22
NS(=O)(=O)C1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300018426591	0	37	-1.0	-46.18	351.04	1.98	-44.20
CCC1=CNC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426595	0	38	-1.0	-42.12	336.40	6.94	-35.18
O=C([O-])C(NCC1=CC2=CN=CC=C2O1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426597	0	37	-1.0	-44.60	336.36	7.62	-36.98
O=C([O-])C(NCC1=CSC(C(F)(F)F)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426601	1	35	-1.0	-41.05	345.57	9.09	-31.96
CC1=C(C)NC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426603	0	38	-1.0	-52.92	336.25	6.76	-46.16
O=C([O-])C(NCC1=NC=C(Br)S1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426609	0	31	-1.0	-45.57	321.44	6.81	-38.76
CN1C=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(C(F)F)=N1	REAL300018426612	1	38	-1.0	-47.06	345.36	7.60	-39.46
NS(=O)(=O)C1=CC=CC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426618	1	40	-1.0	-50.16	369.34	3.84	-46.32
CCCN1N=CC=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426619	1	41	-1.0	-39.97	352.97	8.11	-31.86
O=C([O-])C(NCC1=C2CCCN2N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426621	1	39	-1.0	-47.30	341.68	7.49	-39.81
O=C([O-])C(NCC1=NN2CCCC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426622	0	39	-1.0	-55.78	341.69	7.41	-48.37
O=C([O-])C(NCC1=NC=C(C(F)(F)F)S1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426623	0	34	-1.0	-44.77	340.60	7.25	-37.52
O=C([O-])C(NCC1=CC2=CC=CN=C2O1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426626	0	37	-1.0	-47.38	337.85	6.37	-41.01
O=C([O-])C(NCC1=CC2=CC(F)=CC=C2O1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426633	0	38	-1.0	-43.76	349.50	9.48	-34.28
CN(C)CC1=NC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018426637	0	42	-1.0	-46.91	376.30	5.52	-41.39
CC1CCC2=C(C1)SC(CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)=N2	REAL300018426650	0	44	-1.0	-50.08	384.27	9.29	-40.79
CCC1=CN=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018426651	0	37	-1.0	-49.28	343.39	7.60	-41.68
O=C([O-])C(NCC1=CC=C(F)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426652	1	34	-1.0	-39.36	315.03	6.98	-32.38
O=C([O-])C(NCC1=NOC(C2CCC2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426660	0	41	-1.0	-44.57	360.35	9.14	-35.43
CC1(C2=CC(CNC(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=NO2)CC1	REAL300018426661	0	41	-1.0	-44.92	362.79	9.04	-35.88
O=C([O-])C(NCC1=CN=C2CCCCCN12)C1=CC=C(C(F)(F)F)C=C1	REAL300018426665	1	45	-1.0	-44.48	369.87	9.31	-35.17
O=C([O-])C(NCC1=CC(C2=CC=CC=C2)=NO1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426667	0	41	-1.0	-49.15	370.16	10.04	-39.11
O=C([O-])C(NCC1=CN=C(C2CCOCC2)O1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426676	0	45	-1.0	-45.18	387.23	5.40	-39.78
O=C([O-])C(NCC1=NOC(C2CC2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426677	0	38	-1.0	-44.55	343.53	8.67	-35.88
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)NN=C1C(F)(F)F	REAL300018426681	1	38	-1.0	-37.35	350.41	6.69	-30.66
O=C([O-])C(NCC1=NC(C2CC2)=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426684	0	38	-1.0	-46.15	349.41	8.04	-38.11
O=C([O-])C(NCC1=CN(CC2CC2)N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426685	0	41	-1.0	-43.70	363.16	7.76	-35.94
O=C([O-])C(NCC1=NC2=C(CCCC2)N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426687	0	42	-1.0	-52.96	356.81	7.99	-44.97
CCN1C=CC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426694	0	38	-1.0	-46.50	338.18	7.40	-39.10
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)OC2=CC=C(F)C=C12	REAL300018426699	0	41	-1.0	-43.46	369.91	10.10	-33.36
CCCN1C=CC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426702	0	41	-1.0	-46.15	359.68	8.16	-37.99
CC(C)N1C=CC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426703	0	41	-1.0	-48.66	358.27	7.97	-40.69
O=C([O-])C(NCC1=NN(CC(F)(F)F)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426705	0	38	-1.0	-48.04	356.06	7.90	-40.14
CN1C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=NC2=C1CCCC2	REAL300018426706	0	45	-1.0	-45.06	377.68	9.62	-35.44
CC1=CC=CC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426707	1	37	-1.0	-46.86	331.77	7.68	-39.18
O=C([O-])C(NCC1=CC2=CC=CC=C2C=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426708	1	40	-1.0	-49.70	356.36	9.32	-40.38
COC1=NC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CC=C1C	REAL300018426709	1	41	-1.0	-44.87	362.26	6.33	-38.54
O=C([O-])C(NCC1=CC=CC(C(F)F)=C1F)C1=CC=C(C(F)(F)F)C=C1	REAL300018426710	1	38	-1.0	-43.81	349.59	9.71	-34.10
CCOC1=CC=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426712	1	42	-1.0	-43.76	379.69	9.60	-34.16
O=C([O-])C(NCC1=CC2=C(CCCC2)O1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426713	0	42	-1.0	-49.07	359.44	9.71	-39.36
CCC(C)N1N=CC=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426714	1	44	-1.0	-39.61	373.30	8.57	-31.04
O=C([O-])C(NCC1=CN(C2CCCCC2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426715	1	48	-1.0	-43.92	398.29	9.91	-34.01
COC1=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=CC=C1C(C)(C)C	REAL300018426717	1	51	-1.0	-44.62	407.42	10.54	-34.08
CN1C=C(Br)N=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426718	0	35	-1.0	-41.50	337.17	7.82	-33.68
O=C([O-])C(NCC1=NC2=CC=CC=C2S1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426720	0	37	-1.0	-47.95	345.29	8.31	-39.64
CCCN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426724	1	41	-1.0	-43.07	357.34	9.85	-33.22
CCC1=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=NN1CC	REAL300018426728	1	44	-1.0	-49.72	374.52	8.80	-40.92
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(C(F)(F)F)=CO1	REAL300018426729	1	38	-1.0	-41.49	354.47	8.59	-32.90
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018426741	1	40	-1.0	-45.56	352.85	8.53	-37.03
O=C([O-])C(NCC1=CC=C(C(F)(F)F)C=C1F)C1=CC=C(C(F)(F)F)C=C1	REAL300018426745	1	38	-1.0	-41.75	359.45	9.94	-31.81
CC1=NN(C2CCCC2)C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426747	1	48	-1.0	-43.66	403.05	10.02	-33.64
O=C([O-])C(NCC1=CC=NN1CC(F)F)C1=CC=C(C(F)(F)F)C=C1	REAL300018426748	1	38	-1.0	-44.72	341.79	8.39	-36.33
O=C([O-])C(NCC1=CN(C2=CC=CC(F)=C2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426750	1	42	-1.0	-46.97	380.20	10.22	-36.75
O=C([O-])C(NCC1=NN(C2CCC2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426751	0	42	-1.0	-49.49	360.91	8.50	-40.99
O=C([O-])C(NCC1=NN(CC(F)F)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426752	0	38	-1.0	-47.94	350.03	7.73	-40.21
O=C([O-])C(NCC1=NN(C2CC2(F)F)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426753	0	39	-1.0	-58.00	359.77	8.35	-49.65
CC1=CN(C)C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426754	0	38	-1.0	-44.02	336.53	7.90	-36.12
O=C([O-])C(NCC1=NN(C2CCCC2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426756	0	45	-1.0	-48.02	380.99	9.24	-38.78
COC1=CC=C2SC(CNC(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=NC2=C1	REAL300018426760	0	41	-1.0	-53.82	376.15	7.67	-46.15
CN1N=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1C1=CC=CO1	REAL300018426761	0	42	-1.0	-46.27	375.40	8.15	-38.12
CC1=NN(C2CCC2)C=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426763	1	45	-1.0	-43.05	383.23	9.18	-33.87
O=C([O-])C(NCC1=CC(C2=CC=CC=C2)=CC=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426769	1	44	-1.0	-46.30	383.37	10.42	-35.88
C=CCN1C=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018426777	1	39	-1.0	-44.82	350.77	8.08	-36.74
CC(C)C1=NN(C(C)(C)C)C=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426785	1	53	-1.0	-46.27	440.14	10.58	-35.69
COC1=C2C=CNC2=CC=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426786	1	43	-1.0	-47.72	373.98	8.21	-39.51
CCCN1N=CC(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1C	REAL300018426788	1	44	-1.0	-45.04	378.43	8.69	-36.35
CCCN1N=C(C)C=C1CNC(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426791	1	44	-1.0	-42.39	380.83	8.71	-33.68
CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)O1	REAL300018426792	0	43	-1.0	-41.85	372.82	6.35	-35.50
CC1=CC(NCC2=CC=C(C(=O)[O-])C=C2)=CC=C1OC(F)F	REAL300018426793	0	36	-1.0	-51.04	312.88	7.97	-43.07
CC1=CC(NCC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)=CC=C1OC(F)F	REAL300018426794	0	43	-1.0	-58.60	369.04	10.49	-48.11
CC1=C(C(=O)[O-])C=C(CNC2=CC=C(OC(F)F)C(C)=C2)O1	REAL300018426795	0	36	-1.0	-49.96	313.93	6.91	-43.05
CC1=CC(NC2CCN(CC(=O)[O-])CC2)=CC=C1OC(F)F	REAL300018426796	1	41	-1.0	-47.20	327.17	5.38	-41.82
CC1=CC(NCC2=CN(CC(=O)[O-])N=N2)=CC=C1OC(F)F	REAL300018426797	0	35	-1.0	-50.35	309.62	4.79	-45.56
CC1=CC(NCC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)=CC=C1OC(F)F	REAL300018426798	0	43	-1.0	-52.10	372.82	9.82	-42.28
CC1=CC(NCC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)=CC=C1OC(F)F	REAL300018426799	0	43	-1.0	-52.10	372.82	9.82	-42.28
CC1=CC(NCC2=CC=CC(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300018426800	0	36	-1.0	-52.51	312.89	7.96	-44.55
CC1=CC(NCC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])=CC=C1OC(F)F	REAL300018426801	0	43	-1.0	-60.38	370.15	9.12	-51.26
CC1=CC(NCC2=CC(C)=C(OCC(=O)[O-])C(C)=C2)=CC=C1OC(F)F	REAL300018426802	0	46	-1.0	-50.62	385.76	9.69	-40.93
CC1=NN(CCC(=O)[O-])C(C)=C1CNC1=CC=C(OC(F)F)C(C)=C1	REAL300018426804	0	45	-1.0	-46.72	376.20	7.66	-39.06
CC1=CC(NCC2=CC=C(OCC(=O)[O-])C=C2)=CC=C1OC(F)F	REAL300018426805	0	40	-1.0	-48.92	343.94	8.24	-40.68
CC1=CC(NCC2=CC=C(OCC(=O)[O-])C=C2)=CC=C1OC(F)F	REAL300018426806	0	40	-1.0	-48.92	343.94	8.24	-40.68
CC1=CC(NCC2=CSC(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300018426807	0	33	-1.0	-50.31	303.42	7.01	-43.30
CC1=CC(NC2CCC(CC(=O)[O-])CC2)=CC=C1OC(F)F	REAL300018426808	0	42	-1.0	-49.13	326.62	8.45	-40.68
CC1=CC(NCC2=CC=CC(C(=O)[O-])=N2)=CC=C1OC(F)F	REAL300018426809	0	35	-1.0	-55.39	308.72	6.12	-49.27
CC1=CC(NCC2=CC=C(OC(C)C(=O)[O-])C=C2)=CC=C1OC(F)F	REAL300018426810	0	43	-1.0	-49.76	361.82	8.84	-40.92
COC1=C2OC(C(=O)[O-])=CC2=C(CNC2=CC=C(OC(F)F)C(C)=C2)C=C1	REAL300018426811	0	43	-1.0	-57.43	371.46	7.96	-49.47
CC1=CC(NC2CCC(C(=O)[O-])C(C)C2)=CC=C1OC(F)F	REAL300018426812	0	42	-1.0	-49.50	324.15	7.79	-41.71
CC1=CC(NCC2=CC=C(C=CC(=O)[O-])O2)=CC=C1OC(F)F	REAL300018426813	0	37	-1.0	-55.30	330.19	6.07	-49.23
CC1=CC(NC2CCCC(C(F)(F)C(=O)[O-])C2)=CC=C1OC(F)F	REAL300018426814	0	42	-1.0	-43.87	340.74	8.25	-35.62
CC1=CC(NC2CCC(C(F)(F)C(=O)[O-])C2)=CC=C1OC(F)F	REAL300018426815	0	39	-1.0	-43.95	325.26	7.82	-36.13
CC1=C(CNC2=CC=C(OC(F)F)C(C)=C2)C=C(C(=O)[O-])O1	REAL300018426816	0	36	-1.0	-51.23	316.72	7.08	-44.15
CC1=C(C(=O)[O-])OC(CNC2=CC=C(OC(F)F)C(C)=C2)=C1	REAL300018426817	0	36	-1.0	-50.99	313.66	7.06	-43.93
CC1=CC(NCC2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1OC(F)F	REAL300018426818	0	36	-1.0	-49.43	325.40	8.35	-41.08
CC1=CC(NC(C)CC(C)(C)CC(=O)[O-])=CC=C1OC(F)F	REAL300018426819	0	44	-1.0	-47.32	334.90	8.67	-38.65
CC1=CC(NC2CCC(CC(=O)[O-])C2C)=CC=C1OC(F)F	REAL300018426820	0	42	-1.0	-48.07	331.30	8.43	-39.64
CC1=CC(NCC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)=CC=C1OC(F)F	REAL300018426821	0	39	-1.0	-47.39	342.95	9.20	-38.19
CC1=CC(NCC2=CN(C)N=C2C(=O)[O-])=CC=C1OC(F)F	REAL300018426822	0	36	-1.0	-59.29	314.15	5.76	-53.53
CC1=CC(NCC2=CC=C(C(=O)[O-])C(Br)=C2)=CC=C1OC(F)F	REAL300018426823	0	36	-1.0	-48.51	329.13	8.45	-40.06
CCC1=C(C(=O)[O-])C=C(CNC2=CC=C(OC(F)F)C(C)=C2)O1	REAL300018426824	0	39	-1.0	-50.48	335.42	7.69	-42.79
CC1=CC(NC2CCCC(CCCC(=O)[O-])C2)=CC=C1OC(F)F	REAL300018426825	0	48	-1.0	-48.52	374.90	9.70	-38.82
CC1=CC(NC(C)CCCC(C)(C)C(=O)[O-])=CC=C1OC(F)F	REAL300018426826	0	47	-1.0	-49.07	369.11	9.16	-39.91
CC1=CC(NCC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)=CC=C1OC(F)F	REAL300018426827	0	46	-1.0	-53.08	389.39	10.19	-42.89
CC1=CC(NCC2=CC=C(C(=O)[O-])C=N2)=CC=C1OC(F)F	REAL300018426828	0	35	-1.0	-47.51	308.02	6.12	-41.39
CC1=CC(NC2CC(C(=O)[O-])(C3=CC=CC=C3)C2)=CC=C1OC(F)F	REAL300018426829	0	43	-1.0	-52.14	351.70	9.54	-42.60
CC1=CC(NCC2=CC(C(=O)[O-])=NN2C)=CC=C1OC(F)F	REAL300018426830	0	36	-1.0	-56.45	314.74	5.62	-50.83
CC1=CC(NCC2=CC=C(CCC(=O)[O-])O2)=CC=C1OC(F)F	REAL300018426831	0	39	-1.0	-47.16	337.68	7.85	-39.31
CC1=CC(NCC2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1OC(F)F	REAL300018426832	0	36	-1.0	-54.88	317.43	7.99	-46.89
CC1=CC(NCC2=CC3=C(S2)SC(C(=O)[O-])=C3)=CC=C1OC(F)F	REAL300018426833	0	36	-1.0	-49.91	341.12	8.65	-41.26
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CC(C)(C)N1C=C(CNC(CC2=CC=CC=C2Br)C(=O)[O-])N=N1	REAL300018429926	1	43	-1.0	-49.37	370.57	7.27	-42.10
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CC1=CN=C(CNC(CC2=CC=CC=C2Br)C(=O)[O-])O1	REAL300018430387	0	34	-1.0	-47.03	310.61	4.47	-42.56
CC1=NC(C)=C(CNC(CC2=CC=CC=C2Br)C(=O)[O-])O1	REAL300018430392	0	37	-1.0	-48.18	332.41	5.11	-43.07
CCN1N=CN=C1CNC(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430414	1	37	-1.0	-48.42	325.66	7.82	-40.60
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CC(C)(C)C1=NC=C(CNC(CC2=CC=CC=C2Br)C(=O)[O-])O1	REAL300018430606	0	43	-1.0	-45.62	367.66	7.88	-37.74
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COC1=CC=C(C(C)(C)C)C=C1CNCC1=CC=CC(C(=O)[O-])=C1	REAL300018430621	1	48	-1.0	-52.14	381.54	9.20	-42.94
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COC1=CC=C(C(C)(C)C)C=C1CNCC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300018430644	1	48	-1.0	-49.67	395.33	9.49	-40.18
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CCC1=C(C(=O)[O-])C=C(CNCC2=CC(C(C)(C)C)=CC=C2OC)O1	REAL300018430650	0	51	-1.0	-51.08	404.03	8.95	-42.13
COC1=CC=C(C(C)(C)C)C=C1CNCC1=CC=C(C(=O)[O-])C=N1	REAL300018430653	0	47	-1.0	-47.16	377.98	7.26	-39.90
COC1=CC=C(C(C)(C)C)C=C1CNCC1=CC(C(=O)[O-])=NN1C	REAL300018430655	0	48	-1.0	-59.06	384.69	6.77	-52.29
COC1=CC=C(C(C)(C)C)C=C1CNCC1=CC=C(CCC(=O)[O-])O1	REAL300018430656	0	51	-1.0	-45.71	407.62	8.97	-36.74
COC1=CC=C(C(C)(C)C)C=C1CNCC1=CC=C(F)C(C(=O)[O-])=C1	REAL300018430657	1	48	-1.0	-53.34	387.37	9.13	-44.21
COC1=CC=C(C(C)(C)C)C=C1CNCC1=CN2N=CC(C(=O)[O-])=C2N=C1	REAL300018430660	0	50	-1.0	-61.54	405.62	8.05	-53.49
COC1=CC=C(C(C)(C)C)C=C1CNCC1=CC=C(C(=O)[O-])N=C1	REAL300018430661	1	47	-1.0	-53.25	378.53	7.31	-45.94
COC1=CC=C(C(C)(C)C)C=C1CNCC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300018430662	0	48	-1.0	-42.76	392.07	9.25	-33.51
COC1=CC=C(C(C)(C)C)C=C1CNCC1=CN=C2C=CC(C(=O)[O-])=CN12	REAL300018430663	1	51	-1.0	-46.43	408.35	9.61	-36.82
COC1=CC=C(C(C)(C)C)C=C1CNCC1=CN=C(C(=O)[O-])C=C1C	REAL300018430664	1	50	-1.0	-54.08	392.65	8.01	-46.07
COC1=CC=C(C(C)(C)C)C=C1CNCC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018430666	1	51	-1.0	-54.67	408.50	8.81	-45.86
COC1=CC=C(C(C)(C)C)C=C1CNCC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300018430667	0	55	-1.0	-45.78	429.75	8.68	-37.10
COC1=CC=C(C(C)(C)C)C=C1CNCC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1	REAL300018430668	0	55	-1.0	-50.92	429.39	9.09	-41.83
COC1=CC=C(C(C)(C)C)C=C1CNCC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018430669	1	51	-1.0	-47.35	420.24	10.18	-37.17
O=C([O-])CN1C=C(CNCCC2=CC=C(Cl)C=C2Br)N=N1	REAL300018430677	1	34	-1.0	-48.56	330.32	6.05	-42.51
C[C@@H](NCC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1)C1=CC=C(F)C=C1	REAL300018430713	1	42	-1.0	-56.05	358.01	10.91	-45.14
C[C@@H](NCC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300018430714	1	49	-1.0	-51.22	411.93	11.74	-39.48
C[C@@H](NCC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)C1=CC=C(F)C=C1	REAL300018430715	1	42	-1.0	-50.24	361.41	10.25	-39.99
C[C@@H](NCC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)C1=CC=C(F)C=C1	REAL300018430716	1	42	-1.0	-50.24	361.41	10.25	-39.99
C[C@@H](NCC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300018430717	1	42	-1.0	-56.35	356.50	9.62	-46.73
CC1=NN(CCC(=O)[O-])C(C)=C1CN[C@H](C)C1=CC=C(F)C=C1	REAL300018430720	1	44	-1.0	-45.67	365.19	8.10	-37.57
CC1=CC(Br)=C(OCC(=O)[O-])C(CN[C@H](C)C2=CC=C(F)C=C2)=C1	REAL300018430729	1	42	-1.0	-52.30	374.66	10.04	-42.26
C[C@@H](NCC1=CN2N=CC(C(=O)[O-])=C2N=C1)C1=CC=C(F)C=C1	REAL300018430735	1	37	-1.0	-62.55	324.28	7.36	-55.19
CC(OC1=CC=C(Cl)C=C1CN[C@H](C)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300018430736	1	42	-1.0	-46.52	365.89	9.79	-36.73
C[C@@H](NCC1=C(F)C=C(C(=O)[O-])C=C1F)C1=CC=C(F)C=C1	REAL300018430737	0	35	-1.0	-41.75	312.39	8.44	-33.31
C[C@@H](NCC1=CN=C2C(Br)=CC(C(=O)[O-])=CN12)C1=CC=C(F)C=C1	REAL300018430739	1	38	-1.0	-43.31	349.98	9.38	-33.93
C[C@@H](NCC1=CC=CC(C(=O)[O-])=C1Br)C1=CC=C(F)C=C1	REAL300018430741	1	35	-1.0	-51.13	314.87	8.77	-42.36
C[C@@H](NCC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1)C1=CC=C(F)C=C1	REAL300018430742	0	42	-1.0	-45.22	348.34	8.00	-37.22
C[C@@H](NCC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300018430743	1	42	-1.0	-50.58	349.30	8.31	-42.27
C[C@@H](NCC1=CN=C2C(C(=O)[O-])=CC(Br)=CN12)C1=CC=C(F)C=C1	REAL300018430745	1	38	-1.0	-56.16	350.06	9.59	-46.57
COCC1(CNCC2=C(F)C=C(C(=O)[O-])C=C2F)CCCO1	REAL300018430772	1	40	-1.0	-44.51	334.84	6.12	-38.39
COCC1(CNCC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)CCCO1	REAL300018430777	1	47	-1.0	-48.45	370.86	5.65	-42.80
O=C([O-])[C@H](CCSC(F)(F)F)NCC1=CN(CC2=CC=CN=C2)N=N1	REAL300018430786	1	40	-1.0	-53.73	375.28	5.98	-47.75
COCC1=CC(CN[C@@H](CCSC(F)(F)F)C(=O)[O-])=NO1	REAL300018430827	1	35	-1.0	-52.24	331.39	4.53	-47.71
CC(C)N1C=C(CN[C@@H](CCSC(F)(F)F)C(=O)[O-])N=N1	REAL300018430830	1	37	-1.0	-50.57	339.33	5.29	-45.28
CC1=CC=CC=C1N1C=C(CN[C@@H](CCSC(F)(F)F)C(=O)[O-])N=N1	REAL300018430832	1	41	-1.0	-50.79	376.35	8.15	-42.64
CCN1N=CC(CN[C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300018430848	1	34	-1.0	-44.66	319.66	4.45	-40.21
O=C([O-])[C@H](CCSC(F)(F)F)NCC1=CSN=N1	REAL300018430872	1	27	-1.0	-46.89	280.92	3.79	-43.10
O=C([O-])[C@H](CCSC(F)(F)F)NCC1=NC=C(Cl)S1	REAL300018430915	1	28	-1.0	-39.46	301.11	5.10	-34.36
CC(C)(C)N1C=C(CN[C@@H](CCSC(F)(F)F)C(=O)[O-])N=N1	REAL300018430943	1	40	-1.0	-50.87	359.05	5.86	-45.01
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC(Cl)=C1[O-]	REAL300018430965	0	33	-1.0	-62.20	322.43	7.07	-55.13
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(Cl)=CC(F)=C1[O-]	REAL300018430966	0	33	-1.0	-61.27	328.06	7.05	-54.22
O=C([O-])[C@H](CCSC(F)(F)F)NCC1=CSC=N1	REAL300018431399	1	28	-1.0	-50.12	285.17	4.39	-45.73
O=C([O-])[C@H](CCSC(F)(F)F)NCC1=CSC(C2CC2)=N1	REAL300018431439	1	35	-1.0	-51.89	337.26	6.55	-45.34
CC(C)(C)C1=NC(CN[C@@H](CCSC(F)(F)F)C(=O)[O-])=CS1	REAL300018431447	1	40	-1.0	-50.78	365.97	6.88	-43.90
O=C([O-])[C@H](CCSC(F)(F)F)NCC1=CN(C2=CC=CC=C2)N=N1	REAL300018431470	1	38	-1.0	-51.19	353.90	7.24	-43.95
CCN1N=CN=C1CN[C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431583	1	34	-1.0	-48.46	310.76	6.45	-42.01
O=C([O-])[C@H](CCSC(F)(F)F)NCC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018431586	1	38	-1.0	-49.86	361.61	7.31	-42.55
O=C([O-])[C@H](CCSC(F)(F)F)NCC1=NC(Cl)=CS1	REAL300018431615	1	28	-1.0	-39.66	301.03	4.90	-34.76
O=C([O-])[C@H](CCSC(F)(F)F)NCC1=NC=C(Br)S1	REAL300018431657	1	28	-1.0	-39.51	305.75	5.21	-34.30
O=C([O-])[C@H](CCSC(F)(F)F)NCC1=NC=C(C(F)(F)F)S1	REAL300018431672	1	31	-1.0	-36.55	327.93	5.72	-30.83
CN(C)CC1=NC(CN[C@@H](CCSC(F)(F)F)C(=O)[O-])=CS1	REAL300018431687	1	39	-1.0	-50.83	363.36	4.01	-46.82
O=C([O-])[C@H](CCSC(F)(F)F)NCC1=NOC(C2CCC2)=C1	REAL300018431718	1	38	-1.0	-46.02	347.44	7.66	-38.36
CC1(C2=CC(CN[C@@H](CCSC(F)(F)F)C(=O)[O-])=NO2)CC1	REAL300018431719	1	38	-1.0	-51.17	348.38	7.48	-43.69
O=C([O-])[C@H](CCSC(F)(F)F)NCC1=NOC(C2CC2)=C1	REAL300018431736	1	35	-1.0	-51.39	329.38	7.05	-44.34
O=C([O-])[C@H](CCSC(F)(F)F)NCC1=CN(CC2CC2)N=N1	REAL300018431744	1	38	-1.0	-56.96	350.34	6.22	-50.74
O=C([O-])C1=CC=CC=C1C1=CC=C(CN[C@@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431858	1	43	-1.0	-55.61	361.85	11.12	-44.49
O=C([O-])C1=CC=C(COC2=CC=CC=C2CN[C@@H]2CCC3=CC(F)=CC=C32)C=C1	REAL300018431859	1	50	-1.0	-59.25	413.34	11.89	-47.36
O=C([O-])C1=CC=C(C2=CC=C(CN[C@@H]3CCC4=CC(F)=CC=C43)O2)C=C1	REAL300018431860	1	43	-1.0	-49.69	365.60	10.50	-39.19
O=C([O-])C1=CC=C(C2=CC=C(CN[C@@H]3CCC4=CC(F)=CC=C43)O2)C=C1	REAL300018431861	1	43	-1.0	-49.69	365.60	10.50	-39.19
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1CN[C@@H]1CCC2=CC(F)=CC=C21	REAL300018431862	1	43	-1.0	-58.90	359.92	9.69	-49.21
O=C([O-])C=CC1=CC=C(CN[C@@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431870	1	37	-1.0	-52.34	322.97	6.74	-45.60
CCC1=C(C(=O)[O-])C=C(CN[C@@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431876	1	39	-1.0	-52.10	327.56	8.37	-43.73
O=C([O-])CCC1=CC=C(CN[C@@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431881	1	39	-1.0	-45.19	331.09	8.52	-36.67
O=C([O-])C1=C2N=CC(CN[C@@H]3CCC4=CC(F)=CC=C43)=CN2N=C1	REAL300018431884	1	38	-1.0	-61.40	328.43	7.55	-53.85
CC(OC1=CC=C(Cl)C=C1CN[C@@H]1CCC2=CC(F)=CC=C21)C(=O)[O-]	REAL300018431885	1	43	-1.0	-48.68	366.81	9.92	-38.76
O=C([O-])C1=CC(F)=C(CN[C@@H]2CCC3=CC(F)=CC=C32)C(F)=C1	REAL300018431886	0	36	-1.0	-41.74	316.53	8.67	-33.07
O=C([O-])C1=CC=CC(CN[C@@H]2CCC3=CC(F)=CC=C32)=C1Br	REAL300018431890	1	36	-1.0	-50.03	310.68	8.82	-41.21
O=C([O-])[C@H]1C[C@H](N2C=CC(CN[C@@H]3CCC4=CC(F)=CC=C43)=N2)C1	REAL300018431891	0	43	-1.0	-45.57	349.70	8.15	-37.42
O=C([O-])[C@H]1C[C@H](N2N=CC=C2CN[C@@H]2CCC3=CC(F)=CC=C32)C1	REAL300018431892	1	43	-1.0	-50.02	353.49	8.50	-41.52
O=C([O-])C1=CC=CC=C1C1=CC=C(CN[C@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431896	1	43	-1.0	-57.09	359.43	11.06	-46.03
O=C([O-])C1=CC=C(COC2=CC=CC=C2CN[C@H]2CCC3=CC(F)=CC=C32)C=C1	REAL300018431897	1	50	-1.0	-50.06	415.70	11.98	-38.08
O=C([O-])C1=CC=C(C2=CC=C(CN[C@H]3CCC4=CC(F)=CC=C43)O2)C=C1	REAL300018431898	1	43	-1.0	-50.60	362.59	10.37	-40.23
O=C([O-])C1=CC=C(C2=CC=C(CN[C@H]3CCC4=CC(F)=CC=C43)O2)C=C1	REAL300018431899	1	43	-1.0	-50.60	362.59	10.37	-40.23
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1CN[C@H]1CCC2=CC(F)=CC=C21	REAL300018431900	1	43	-1.0	-57.47	353.16	9.61	-47.86
O=C([O-])C=CC1=CC=C(CN[C@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431908	1	37	-1.0	-57.27	319.90	6.62	-50.65
CCC1=C(C(=O)[O-])C=C(CN[C@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431914	1	39	-1.0	-49.95	325.80	8.29	-41.66
O=C([O-])CCC1=CC=C(CN[C@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431919	1	39	-1.0	-45.71	327.72	8.41	-37.30
O=C([O-])C1=C2N=CC(CN[C@H]3CCC4=CC(F)=CC=C43)=CN2N=C1	REAL300018431922	1	38	-1.0	-61.82	326.05	7.48	-54.34
CC(OC1=CC=C(Cl)C=C1CN[C@H]1CCC2=CC(F)=CC=C21)C(=O)[O-]	REAL300018431923	1	43	-1.0	-44.34	370.84	10.02	-34.32
O=C([O-])C1=CC(F)=C(CN[C@H]2CCC3=CC(F)=CC=C32)C(F)=C1	REAL300018431924	0	36	-1.0	-42.74	315.59	8.65	-34.09
O=C([O-])C1=CC=CC(CN[C@H]2CCC3=CC(F)=CC=C32)=C1Br	REAL300018431928	1	36	-1.0	-46.91	316.99	9.05	-37.86
O=C([O-])[C@H]1C[C@H](N2C=CC(CN[C@H]3CCC4=CC(F)=CC=C43)=N2)C1	REAL300018431929	0	43	-1.0	-47.15	349.24	8.11	-39.04
O=C([O-])[C@H]1C[C@H](N2N=CC=C2CN[C@H]2CCC3=CC(F)=CC=C32)C1	REAL300018431930	1	43	-1.0	-50.92	353.41	8.49	-42.43
CC1=C(C(=O)[O-])C=C(CNCCOC2CCS(=O)(=O)CC2)O1	REAL300018431936	1	42	-1.0	-58.37	354.36	2.25	-56.12
O=C([O-])C1=COC(CNCCOC2CCS(=O)(=O)CC2)=C1	REAL300018431939	1	39	-1.0	-58.34	337.10	1.44	-56.90
O=C([O-])CN1C=C(CNCCOC2CCS(=O)(=O)CC2)N=N1	REAL300018431941	0	41	-1.0	-58.46	350.05	0.11	-58.35
O=C([O-])C1=CC=C(CNCCOC2CCS(=O)(=O)CC2)O1	REAL300018431942	1	39	-1.0	-59.28	336.07	1.78	-57.50
O=C([O-])C1=CC=C(CNCCOC2CCS(=O)(=O)CC2)O1	REAL300018431943	1	39	-1.0	-59.28	336.07	1.78	-57.50
O=C([O-])C1=NOC(CNCCOC2CCS(=O)(=O)CC2)=C1	REAL300018431958	1	38	-1.0	-59.91	331.25	0.74	-59.17
O=C([O-])C1=CC=CC(CNCCOC2CCS(=O)(=O)CC2)=N1	REAL300018431959	1	41	-1.0	-64.47	349.10	1.44	-63.03
O=C([O-])C1=NOC(CNCCOC2CCS(=O)(=O)CC2)=C1	REAL300018431960	1	38	-1.0	-59.91	331.25	0.74	-59.17
O=C([O-])C=CC1=CC=C(CNCCOC2CCS(=O)(=O)CC2)O1	REAL300018431966	1	43	-1.0	-64.93	370.56	1.37	-63.56
CC1=C(C(=O)[O-])OC(CNCCOC2CCS(=O)(=O)CC2)=C1	REAL300018431970	1	42	-1.0	-60.25	354.09	2.37	-57.88
CCC1=C(C(=O)[O-])C=C(CNCCOC2CCS(=O)(=O)CC2)O1	REAL300018431977	1	45	-1.0	-58.99	375.86	3.02	-55.97
O=C([O-])C1=CC=C(CNCCOC2CCS(=O)(=O)CC2)N=C1	REAL300018431980	1	41	-1.0	-57.73	348.39	1.44	-56.29
O=C([O-])CCC1=CC=C(CNCCOC2CCS(=O)(=O)CC2)O1	REAL300018431983	1	45	-1.0	-55.06	378.11	3.16	-51.90
O=C([O-])C1=CC(F)=C(CNCCOC2CCS(=O)(=O)CC2)C(F)=C1	REAL300018431989	1	42	-1.0	-50.95	363.88	3.33	-47.62
O=C([O-])[C@H]1C[C@H](N2C=CC(CNCCOC3CCS(=O)(=O)CC3)=N2)C1	REAL300018431994	1	49	-1.0	-56.49	400.62	2.77	-53.72
O=C([O-])C1=CN(C2CCCN(CC3=CC(Cl)=CC4=C3OCC4)CC2)N=N1	REAL300018431998	1	46	-1.0	-51.37	379.51	7.27	-44.10
CC1=CC=C(CNC2=CC=C3SC(C(=O)[O-])=CC3=C2)C=C1F	REAL300018435727	0	35	-1.0	-52.01	318.35	9.87	-42.14
CC1(C)CCCCC1NC1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300018435728	0	41	-1.0	-49.22	321.71	9.86	-39.36
O=C([O-])C1=CC2=CC(NCC3=CC(Cl)=CC=C3[N+](=O)[O-])=CC=C2S1	REAL300018435730	0	34	-1.0	-55.06	330.08	10.36	-44.70
CC(C)=CCCC(C)NC1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300018435731	0	41	-1.0	-50.26	344.51	10.48	-39.78
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CC(C)OC1=CC=C(CNC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C=C1	REAL300018456124	0	44	-1.0	-58.11	361.40	9.12	-48.99
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COC1=CC=C2SC(CNC3=CC=CC4=CC(C(=O)[O-])=NC=C43)=NC2=C1	REAL300018456687	0	40	-1.0	-62.13	353.31	6.99	-55.14
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CC1=CC(Br)=CC(C)=C1CNC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456689	0	40	-1.0	-56.74	348.03	9.92	-46.82
CN1N=C(CNC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C=C1C1=CC=CO1	REAL300018456690	0	41	-1.0	-62.01	353.75	7.57	-54.44
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O=C([O-])C1=CC2=CC=CC(NCC3=CC=C(C4CCCCC4)C=C3)=C2C=N1	REAL300018456692	0	50	-1.0	-56.15	393.97	12.08	-44.07
CC1=NN(C2CCC2)C=C1CNC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456693	0	44	-1.0	-60.11	361.61	8.60	-51.51
COC1=CC=CC=C1C=CCNC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456694	0	42	-1.0	-58.80	351.54	8.92	-49.88
O=C([O-])C1=CC2=CC=CC(NCC3=CC=C(C4=CC=CC=N4)N=C3)=C2C=N1	REAL300018456695	0	42	-1.0	-62.37	361.30	8.61	-53.76
CN1N=C(C2=CC=CO2)C=C1CNC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456696	0	41	-1.0	-63.50	355.43	7.51	-55.99
O=C([O-])C1=CC2=CC=CC(NCC3=CC=C(CC4=CC=CC=C4)C=C3)=C2C=N1	REAL300018456698	0	47	-1.0	-57.56	394.91	12.73	-44.83
O=C([O-])C1=CC2=CC=CC(NCC3=CC(C4=CC=CC=C4)=CC=N3)=C2C=N1	REAL300018456699	0	43	-1.0	-59.84	361.72	9.85	-49.99
CC(C)(C)C1=NN(C(C)(C)C)C=C1CNC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456700	0	55	-1.0	-59.67	425.17	10.83	-48.84
CC1=CC=C(C2CCC(NC3=CC=CC4=CC(C(=O)[O-])=NC=C43)CC2)C=C1	REAL300018456701	0	50	-1.0	-56.69	391.63	11.96	-44.73
COC1=CC(C)=CC(OC)=C1CNC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456702	0	45	-1.0	-58.42	369.83	7.64	-50.78
O=C([O-])C1=CC2=CC=CC(NCC3=CC=C(CF)C=C3)=C2C=N1	REAL300018456703	0	37	-1.0	-57.61	320.10	9.09	-48.52
O=C([O-])C1=CC2=CC=CC(NCC3=CC=C(OC(F)(F)F)C(Cl)=C3)=C2C=N1	REAL300018456704	0	38	-1.0	-58.86	354.15	8.61	-50.25
O=C([O-])C1=CC2=CC=CC(NCC3=CC=C4SC=CC4=C3)=C2C=N1	REAL300018456705	0	37	-1.0	-58.36	329.04	9.63	-48.73
O=C([O-])C1=CC2=CC=CC(NCC3=CC=C(C4=CC=NC=C4)C=C3)=C2C=N1	REAL300018456706	0	43	-1.0	-59.89	361.53	9.93	-49.96
CC(CC1=CN(C)N=C1)NC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456707	0	40	-1.0	-59.70	335.06	7.59	-52.11
O=C([O-])C1=CC2=CC=CC(NC3CC4CC=CCC4C3)=C2C=N1	REAL300018456708	0	42	-1.0	-55.90	329.29	9.57	-46.33
CC1=CC=CC(CNC2=CC=CC3=CC(C(=O)[O-])=NC=C32)=C1C(F)(F)F	REAL300018456709	0	40	-1.0	-59.36	337.18	9.97	-49.39
C=CCN1C=C(CNC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C=N1	REAL300018456710	0	38	-1.0	-60.28	329.27	7.49	-52.79
O=C([O-])C1=CC2=CC=CC(NCC3=CC4=NNC=C4C=C3)=C2C=N1	REAL300018456711	0	37	-1.0	-63.84	318.37	6.98	-56.86
CCC(C)C1=CC=C(CNC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C=C1	REAL300018456712	0	46	-1.0	-56.32	370.79	10.86	-45.46
O=C([O-])C1=CC2=CC=CC(NC3CCC4(C3)CCOCC4)=C2C=N1	REAL300018456713	0	45	-1.0	-56.81	343.60	7.67	-49.14
CN1C(CC2=CC=CC=C2)=CN=C1CNC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456714	0	47	-1.0	-61.96	391.59	10.76	-51.20
O=C([O-])C1=CC2=CC=CC(NCC3=CC=CC4=C3CCCC4)=C2C=N1	REAL300018456715	0	44	-1.0	-56.42	350.62	10.59	-45.83
CC(=CC1=CC(F)=CC(F)=C1)CNC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456716	0	41	-1.0	-58.02	351.99	10.16	-47.86
O=C([O-])C1=CC2=CC=CC(NCC3=CC=C(N4C=CN=N4)C=C3)=C2C=N1	REAL300018456717	0	40	-1.0	-65.29	344.49	8.18	-57.11
CC1=C(CNC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C=CC2=CC=CC=C21	REAL300018456718	0	43	-1.0	-58.12	351.42	11.12	-47.00
CC(C)C1=NN(C(C)(C)C)C=C1CNC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456719	0	52	-1.0	-59.56	417.31	9.91	-49.65
COC1=C2C=CNC2=CC=C1CNC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456720	0	42	-1.0	-61.92	353.41	7.65	-54.27
O=C([O-])C1=CC2=CC=CC(NCC3=CC=C(N4CCC(O)C4)C=C3)=C2C=N1	REAL300018456721	0	47	-1.0	-59.32	381.13	5.40	-53.92
CCCN1N=CC(CNC2=CC=CC3=CC(C(=O)[O-])=NC=C32)=C1C	REAL300018456722	0	43	-1.0	-59.45	356.93	8.12	-51.33
CC1=CC(CNC2=CC=CC3=CC(C(=O)[O-])=NC=C32)=CN=C1N1C=CC=N1	REAL300018456723	0	43	-1.0	-62.63	364.67	9.58	-53.05
O=C([O-])C1=CC2=CC=CC(NC3CCC3CC3=CC=CC=C3)=C2C=N1	REAL300018456724	0	44	-1.0	-56.96	357.34	11.27	-45.69
CCCN1N=C(C)C=C1CNC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456725	0	43	-1.0	-59.63	357.20	8.06	-51.57
CN1C=C(CNC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C(C2CCC2)=N1	REAL300018456726	0	44	-1.0	-60.43	363.75	8.68	-51.75
CC(C)(C)C1=NC=C(CNC2=CC=CC3=CC(C(=O)[O-])=NC=C32)O1	REAL300018456727	0	42	-1.0	-59.67	351.32	5.76	-53.91
CC1(C)CCCC(C2=CC=CC(NCC3=CC=C(C(=O)[O-])C=C3)=C2)C1	REAL300018456728	0	51	-1.0	-47.82	389.35	12.37	-35.45
CC1=C(C(=O)[O-])C=C(CNC2=CC=CC(C3CCCC(C)(C)C3)=C2)O1	REAL300018456729	0	51	-1.0	-47.11	390.41	11.32	-35.79
CC1(C)CCCC(C2=CC=CC(NCC3=C(C(=O)[O-])OC=C3)=C2)C1	REAL300018456730	0	48	-1.0	-49.70	368.76	10.58	-39.12
CC1(C)CCCC(C2=CC=CC(NC3CCN(CC(=O)[O-])CC3)=C2)C1	REAL300018456731	1	56	-1.0	-43.75	403.64	9.78	-33.97
CC1(C)CCCC(C2=CC=CC(NCC3=CC(C(=O)[O-])=CO3)=C2)C1	REAL300018456732	0	48	-1.0	-46.69	372.43	10.60	-36.09
CC1(C)CCCC(C2=CC=CC(NC3CCC(C(=O)[O-])CC3)=C2)C1	REAL300018456733	0	54	-1.0	-45.24	390.53	11.94	-33.30
CC1(C)CCCC(C2=CC=CC(NCC3=CN(CC(=O)[O-])N=N3)=C2)C1	REAL300018456734	0	50	-1.0	-47.03	386.09	9.19	-37.84
CC1(C)CCCC(C2=CC=CC(NCC3=CC=C(C(=O)[O-])O3)=C2)C1	REAL300018456735	0	48	-1.0	-47.22	372.17	10.87	-36.35
CC1(C)CCCC(C2=CC=CC(NCC3=CC=C(C(=O)[O-])O3)=C2)C1	REAL300018456736	0	48	-1.0	-47.22	372.17	10.87	-36.35
CC(C)(CCNC1=CC(C2CCCC(C)(C)C2)=CC=C1)C(=O)[O-]	REAL300018456737	0	53	-1.0	-44.70	384.88	11.16	-33.54
CC1(C)CCCC(C2=CC=CC(NC3CCC(C(=O)[O-])CC3)=C2)C1	REAL300018456738	0	54	-1.0	-45.24	390.53	11.94	-33.30
CC1(C)CCCC(C2=CC=CC(NCC3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300018456739	0	51	-1.0	-49.47	389.36	12.36	-37.11
CC1(C)CCCC(C2=CC=CC(NCC3=CC(C(=O)[O-])=NN3)=C2)C1	REAL300018456740	0	48	-1.0	-50.39	370.77	8.79	-41.60
CC1=CC(CNC2=CC=CC(C3CCCC(C)(C)C3)=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018456741	0	61	-1.0	-47.19	462.23	14.09	-33.10
CC1=NN(CCC(=O)[O-])C(C)=C1CNC1=CC=CC(C2CCCC(C)(C)C2)=C1	REAL300018456743	0	60	-1.0	-43.42	453.71	12.09	-31.33
CC1(C)CCCC(C2=CC=CC(NCC3=CC=C(OCC(=O)[O-])C=C3)=C2)C1	REAL300018456744	0	55	-1.0	-45.53	420.42	12.64	-32.89
CC1(C)CCCC(C2=CC=CC(NCC3=CC=C(OCC(=O)[O-])C=C3)=C2)C1	REAL300018456745	0	55	-1.0	-45.53	420.42	12.64	-32.89
CC1(C)CCCC(C2=CC=CC(NCC3=CSC(C(=O)[O-])=C3)=C2)C1	REAL300018456746	0	48	-1.0	-47.25	379.90	11.41	-35.84
CC1(C)CCCC(C2=CC=CC(NC3CCC(CC(=O)[O-])CC3)=C2)C1	REAL300018456747	0	57	-1.0	-45.81	403.17	12.85	-32.96
CC1(C)CCCC(C2=CC=CC(NCC3=CC(C(=O)[O-])=NO3)=C2)C1	REAL300018456748	0	47	-1.0	-47.27	366.58	9.91	-37.36
CC1(C)CCCC(C2=CC=CC(NCC3=CC=CC(C(=O)[O-])=N3)=C2)C1	REAL300018456749	0	50	-1.0	-52.65	385.20	10.52	-42.13
CC1(C)CCCC(C2=CC=CC(NCC3=CC(C(=O)[O-])=NO3)=C2)C1	REAL300018456750	0	47	-1.0	-47.27	366.58	9.91	-37.36
CC(NC1=CC=CC(C2CCCC(C)(C)C2)=C1)C1CC1C(=O)[O-]	REAL300018456751	0	51	-1.0	-48.23	373.92	12.07	-36.16
CC1(C)CCCC(C2=CC=CC(NC3CC(CC(=O)[O-])C3)=C2)C1	REAL300018456752	0	51	-1.0	-46.10	376.54	11.52	-34.58
CC(OC1=CC=C(CNC2=CC=CC(C3CCCC(C)(C)C3)=C2)C=C1)C(=O)[O-]	REAL300018456753	0	58	-1.0	-46.14	438.29	13.24	-32.90
CC1CC(NC2=CC=CC(C3CCCC(C)(C)C3)=C2)CCC1C(=O)[O-]	REAL300018456754	0	57	-1.0	-45.18	400.64	12.19	-32.99
CC1(C)CCCC(C2=CC=CC(NCC3=CC=C(C=CC(=O)[O-])O3)=C2)C1	REAL300018456755	0	52	-1.0	-51.96	406.67	10.47	-41.49
CC1(C)CCCC(C2=CC=CC(NC3CCCC(C(F)(F)C(=O)[O-])C3)=C2)C1	REAL300018456756	0	57	-1.0	-42.47	415.94	13.03	-29.44
CC1(C)CCCC(C2=CC=CC(NC3CCC(C(F)(F)C(=O)[O-])C3)=C2)C1	REAL300018456757	0	54	-1.0	-40.81	401.71	12.20	-28.61
CC1=C(CNC2=CC=CC(C3CCCC(C)(C)C3)=C2)C=C(C(=O)[O-])O1	REAL300018456758	0	51	-1.0	-48.11	393.19	11.48	-36.63
CC1=C(C(=O)[O-])OC(CNC2=CC=CC(C3CCCC(C)(C)C3)=C2)=C1	REAL300018456759	0	51	-1.0	-48.05	390.13	11.46	-36.59
CC1(C)CCCC(C2=CC=CC(NCC3=CC=C(C(=O)[O-])C(Cl)=C3)=C2)C1	REAL300018456760	0	51	-1.0	-46.28	401.87	12.75	-33.53
CC(CC(C)(C)CC(=O)[O-])NC1=CC=CC(C2CCCC(C)(C)C2)=C1	REAL300018456761	0	59	-1.0	-44.12	411.21	13.07	-31.05
CC1C(CC(=O)[O-])CCC1NC1=CC=CC(C2CCCC(C)(C)C2)=C1	REAL300018456762	0	57	-1.0	-44.22	411.48	12.64	-31.58
CC1(C(=O)[O-])CC(NC2=CC(C3CCCC(C)(C)C3)=CC=C2)C1	REAL300018456763	0	51	-1.0	-46.40	373.41	11.16	-35.24
CN1C=C(CNC2=CC=CC(C3CCCC(C)(C)C3)=C2)C(C(=O)[O-])=N1	REAL300018456764	0	51	-1.0	-57.29	390.61	10.15	-47.14
CCC1=C(C(=O)[O-])C=C(CNC2=CC=CC(C3CCCC(C)(C)C3)=C2)O1	REAL300018456765	0	54	-1.0	-47.79	411.89	12.10	-35.69
CC1(C)CCCC(C2=CC=CC(NC3CCCC(CCCC(=O)[O-])C3)=C2)C1	REAL300018456766	0	63	-1.0	-45.21	447.10	14.41	-30.80
CC(CCCC(C)(C)C(=O)[O-])NC1=CC=CC(C2CCCC(C)(C)C2)=C1	REAL300018456767	0	62	-1.0	-45.77	446.16	13.55	-32.22
CC1(C)CCCC(C2=CC=CC(NCC3=CC=C(C(=O)[O-])C=N3)=C2)C1	REAL300018456768	0	50	-1.0	-44.55	384.50	10.51	-34.04
CC1(C)CCCC(C2=CC=CC(NC3CC(C(=O)[O-])(C4=CC=CC=C4)C3)=C2)C1	REAL300018456769	0	58	-1.0	-49.11	427.11	13.90	-35.21
CN1N=C(C(=O)[O-])C=C1CNC1=CC=CC(C2CCCC(C)(C)C2)=C1	REAL300018456770	0	51	-1.0	-53.47	391.21	10.01	-43.46
CC1(C)CCCC(C2=CC=CC(NCC3=CC=C(CCC(=O)[O-])O3)=C2)C1	REAL300018456771	0	54	-1.0	-43.78	414.16	12.25	-31.53
CC1(C)CCCC(C2=CC=CC(NCC3=CC=C(F)C(C(=O)[O-])=C3)=C2)C1	REAL300018456772	0	51	-1.0	-51.84	393.91	12.39	-39.45
CC1(C)CCCC(C2=CC=CC(NC3CC(CCC(=O)[O-])C3)=C2)C1	REAL300018456773	0	54	-1.0	-44.37	398.42	12.31	-32.06
CC1(C)CCCC(C2=CC=CC(NCC3=CC4=C(S3)SC(C(=O)[O-])=C4)=C2)C1	REAL300018456774	0	51	-1.0	-46.40	417.61	13.05	-33.35
CC1(C)CCCC(C2=CC=CC(NCC3=CN4N=CC(C(=O)[O-])=C4N=C3)=C2)C1	REAL300018456775	0	53	-1.0	-58.79	412.17	11.31	-47.48
CC1(C)CCCC(C2=CC=CC(NCC3=CC=C(C(=O)[O-])N=C3)=C2)C1	REAL300018456776	0	50	-1.0	-50.13	385.07	10.57	-39.56
CC1(C)CCCC(C2=CC=CC(NCC3=C(F)C=C(C(=O)[O-])C=C3F)=C2)C1	REAL300018456777	0	51	-1.0	-39.90	399.93	12.41	-27.49
CC1(C)CCCC(C2=CC=CC(NCC3=CN=C4C=CC(C(=O)[O-])=CN34)=C2)C1	REAL300018456778	0	54	-1.0	-43.41	416.20	12.76	-30.65
CC1=CC(C(=O)[O-])=NC=C1CNC1=CC=CC(C2CCCC(C)(C)C2)=C1	REAL300018456779	0	53	-1.0	-50.59	402.60	11.27	-39.32
CC1(C)CCCC(C2=CC=CC(NC[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)C1	REAL300018456780	0	54	-1.0	-45.82	394.10	12.04	-33.78
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CN(C)C1=NC=CC2=C1CN(CC1=CC=C(C3=CC=C(C(=O)[O-])C=C3)O1)CC2	REAL300018471729	0	50	-1.0	-51.85	402.92	9.30	-42.55
CN(C)C1=NC=CC2=C1CN(CC1=CC=CC(C(=O)[O-])=C1)CC2	REAL300018471730	0	43	-1.0	-50.41	334.97	6.96	-43.45
CN(C)C1=NC=CC2=C1CN(CC1=CN(C3=CC=CC=C3)N=C1C(=O)[O-])CC2	REAL300018471731	0	50	-1.0	-63.89	403.00	8.78	-55.11
CN(C)C1=NC=CC2=C1CN(CC1=CC(C(=O)[O-])=NN1)CC2	REAL300018471732	0	40	-1.0	-53.56	324.79	4.03	-49.53
CC1=CC(CN2CCC3=CC=NC(N(C)C)=C3C2)=CC(C)=C1OCC(=O)[O-]	REAL300018471733	0	53	-1.0	-50.37	418.78	9.41	-40.96
CC1=NN(CCC(=O)[O-])C(C)=C1CN1CCC2=CC=NC(N(C)C)=C2C1	REAL300018471734	0	52	-1.0	-46.97	403.96	7.13	-39.84
CN(C)C1=NC=CC2=C1CN(CC1=CC=C(OCC(=O)[O-])C=C1)CC2	REAL300018471735	0	47	-1.0	-48.52	374.62	7.86	-40.66
CN(C)C1=NC=CC2=C1CN(CC1=CC=C(OCC(=O)[O-])C=C1)CC2	REAL300018471736	0	47	-1.0	-48.52	374.62	7.86	-40.66
CN(C)C1=NC=CC2=C1CN(CC1=CSC(C(=O)[O-])=C1)CC2	REAL300018471737	0	40	-1.0	-48.33	326.30	6.02	-42.31
CN(C)C1=NC=CC2=C1CN(CC1=CC(C(=O)[O-])=NO1)CC2	REAL300018471738	0	39	-1.0	-50.63	321.63	5.16	-45.47
CN(C)C1=NC=CC2=C1CN(CC1=CC=CC(C(=O)[O-])=N1)CC2	REAL300018471739	0	42	-1.0	-56.69	338.98	5.53	-51.16
CN(C)C1=NC=CC2=C1CN(CC1=CC(C(=O)[O-])=NO1)CC2	REAL300018471740	0	39	-1.0	-50.63	321.63	5.16	-45.47
CC(OC1=CC=C(CN2CCC3=CC=NC(N(C)C)=C3C2)C=C1)C(=O)[O-]	REAL300018471741	0	50	-1.0	-48.72	382.96	7.83	-40.89
COC1=C2OC(C(=O)[O-])=CC2=C(CN2CCC3=CC=NC(N(C)C)=C3C2)C=C1	REAL300018471742	0	50	-1.0	-60.12	404.28	7.70	-52.42
CN(C)C1=NC=CC2=C1CN(CC1=CC=C(C=CC(=O)[O-])O1)CC2	REAL300018471743	0	44	-1.0	-55.66	360.25	5.54	-50.12
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CN(C)C1=NC=CC2=C1CN(CC1=CC=C(C(=O)[O-])C(Cl)=C1)CC2	REAL300018471746	0	43	-1.0	-48.51	347.44	7.35	-41.16
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CN(C)C1=NC=CC2=C1CN(CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1)CC2	REAL300018471751	0	53	-1.0	-53.98	425.65	9.25	-44.73
CN(C)C1=NC=CC2=C1CN(CC1=CC=C(C(=O)[O-])C=N1)CC2	REAL300018471752	0	42	-1.0	-47.69	338.28	5.53	-42.16
CN(C)C1=NC=CC2=C1CN(CC1=CC(C(=O)[O-])=NN1C)CC2	REAL300018471753	0	43	-1.0	-55.91	345.32	5.06	-50.85
CN(C)C1=NC=CC2=C1CN(CC1=CC=C(CCC(=O)[O-])O1)CC2	REAL300018471754	0	46	-1.0	-47.01	367.75	7.33	-39.68
CN(C)C1=NC=CC2=C1CN(CC1=CC=C(F)C(C(=O)[O-])=C1)CC2	REAL300018471755	0	43	-1.0	-55.44	338.76	6.95	-48.49
CN(C)C1=NC=CC2=C1CN(CC1=CC3=C(S1)SC(C(=O)[O-])=C3)CC2	REAL300018471756	0	43	-1.0	-48.74	371.14	8.13	-40.61
CN(C)C1=NC=CC2=C1CN(CC1=CN3N=CC(C(=O)[O-])=C3N=C1)CC2	REAL300018471757	0	45	-1.0	-60.02	356.59	5.80	-54.22
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CC(OC1=CC=C(Cl)C=C1CN1CCC2=CC=NC(N(C)C)=C2C1)C(=O)[O-]	REAL300018471759	0	50	-1.0	-49.69	400.48	8.41	-41.28
CN(C)C1=NC=CC2=C1CN(CC1=C(F)C=C(C(=O)[O-])C=C1F)CC2	REAL300018471760	0	43	-1.0	-45.33	345.95	7.07	-38.26
CN(C)C1=NC=CC2=C1CN(CC1=CN=C3C=CC(C(=O)[O-])=CN13)CC2	REAL300018471761	0	46	-1.0	-46.72	370.29	7.75	-38.97
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CN1C(CNC(CC2CC=CCC2)C(=O)[O-])=NC2=C1CCCC2	REAL300018493782	0	49	-1.0	-53.41	368.83	10.40	-43.01
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CN1N=C(C(=O)[O-])C=C1CN1CCC2(CC1)C(F)(F)C21CCC1	REAL300018493904	1	43	-1.0	-59.44	342.05	7.44	-52.00
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CC1(C)[C@@H]2C[C@H]1C(CCNCC1=CN(CC(=O)[O-])N=N1)=CC2	REAL300018493923	1	45	-1.0	-46.96	352.59	6.60	-40.36
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CC(C)N1C2=CC=CC=C2N=C1CNC(CC1CCCCO1)C(=O)[O-]	REAL300018507939	0	51	-1.0	-47.27	392.39	8.95	-38.32
CCCN1C2=CC=CC=C2N=C1CNC(CC1CCCCO1)C(=O)[O-]	REAL300018507952	0	51	-1.0	-45.85	396.43	9.47	-36.38
CC1=CC=C(C2=NC(CNC(CC3CCCCO3)C(=O)[O-])=CS2)C=C1	REAL300018507966	0	48	-1.0	-52.08	396.85	8.12	-43.96
CC(C)C1=NC(CNC(CC2CCCCO2)C(=O)[O-])=CS1	REAL300018507967	0	44	-1.0	-49.93	356.42	5.55	-44.38
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CC1=CC=C(OCC2=NC(CNC(CC3CCCCO3)C(=O)[O-])=CS2)C=C1	REAL300018507979	0	52	-1.0	-52.70	428.47	7.46	-45.24
CC(C)(C)C1=NC(CNC(CC2CCCCO2)C(=O)[O-])=CS1	REAL300018507981	0	47	-1.0	-51.51	377.33	6.03	-45.48
O=C([O-])C(CC1CCCCO1)NCC1=CSC(C2=CSC=C2)=N1	REAL300018507982	0	42	-1.0	-49.80	364.54	6.25	-43.55
CC(C)(C)C1=NC=C(CNC(CC2CCCCO2)C(=O)[O-])S1	REAL300018507988	1	47	-1.0	-49.77	375.88	6.46	-43.31
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C)C(F)=C1	REAL300018525199	0	36	-1.0	-45.73	318.71	7.97	-37.76
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300018525201	0	35	-1.0	-50.46	330.46	8.42	-42.04
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC(C)(C)CC(C)(C)C1	REAL300018525202	0	48	-1.0	-46.72	364.25	8.75	-37.97
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC2=CC(Br)=CC=C2C1	REAL300018525203	0	40	-1.0	-46.89	352.72	9.60	-37.29
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CCC1=CNC2=CC=CC=C12	REAL300018525204	0	46	-1.0	-50.27	385.19	9.67	-40.60
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C(Cl)=C1OC	REAL300018525205	0	41	-1.0	-49.30	368.35	7.01	-42.29
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=CC=CS2)C=C1	REAL300018525206	0	40	-1.0	-45.87	359.35	9.88	-35.99
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=CC=C2S1	REAL300018525207	0	36	-1.0	-46.05	329.37	8.79	-37.26
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(OC(C)C)C=C1	REAL300018525208	0	43	-1.0	-45.75	361.27	8.11	-37.64
CCCCCCCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1	REAL300018525209	0	55	-1.0	-45.18	450.84	11.41	-33.77
COC1=C(F)C=C(C(=O)[O-])C=C1NCC(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300018525210	0	54	-1.0	-45.29	426.04	11.65	-33.64
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(F)C(C)=C1	REAL300018525211	0	36	-1.0	-44.46	318.70	7.96	-36.50
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C2NC=CC2=CC=C1	REAL300018525212	0	37	-1.0	-46.33	323.35	7.26	-39.07
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CSC([N+](=O)[O-])=C1	REAL300018525213	0	32	-1.0	-47.04	312.04	7.05	-39.99
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1N1CCOCC1	REAL300018525214	0	46	-1.0	-47.28	378.63	6.66	-40.62
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(CC(C)C)C=C1	REAL300018525215	0	45	-1.0	-44.99	373.13	9.94	-35.05
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(C2=CC=C(C)C=C2)=C1	REAL300018525216	0	46	-1.0	-46.73	387.60	11.34	-35.39
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C)=CC(C)=C1	REAL300018525217	0	39	-1.0	-45.32	334.80	8.58	-36.74
COC1=CC=C(Br)C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1	REAL300018525218	0	37	-1.0	-46.99	339.71	7.12	-39.87
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1[N+](=O)[O-]	REAL300018525219	0	39	-1.0	-52.09	347.51	7.99	-44.10
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Cl)=C1	REAL300018525220	0	33	-1.0	-43.43	325.45	8.27	-35.16
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(C)C=CC=C1C	REAL300018525221	0	39	-1.0	-45.26	326.60	8.30	-36.96
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(C2=CC=CC=C2C)=C1	REAL300018525222	0	46	-1.0	-46.40	388.09	11.34	-35.06
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(OC(F)F)=C1	REAL300018525223	0	37	-1.0	-47.47	331.25	6.84	-40.63
CCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1OCC	REAL300018525224	0	47	-1.0	-47.27	394.44	8.30	-38.97
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC(C(C)C)CC1	REAL300018525225	0	45	-1.0	-45.70	344.32	8.85	-36.85
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018525226	0	36	-1.0	-44.78	343.88	8.67	-36.11
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(F)C=C1Br	REAL300018525227	0	33	-1.0	-45.23	316.85	7.82	-37.41
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C2OC(F)(F)OC2=C1	REAL300018525228	0	36	-1.0	-45.47	331.62	6.36	-39.11
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=NC2=CC=CC=C12	REAL300018525229	0	38	-1.0	-46.68	330.14	7.49	-39.19
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(OC(F)(F)F)=C1	REAL300018525230	0	37	-1.0	-44.91	337.98	7.05	-37.86
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(S(C)(=O)=O)C=C1	REAL300018525231	0	39	-1.0	-52.29	352.68	4.78	-47.51
COC1=CC=CC=C1C1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1	REAL300018525232	0	47	-1.0	-47.93	400.19	10.32	-37.61
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CCOCC1=CC=CC=C1	REAL300018525233	0	46	-1.0	-46.84	387.28	8.90	-37.94
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC(C2=CC=C(Cl)C=C2)C1	REAL300018525234	0	40	-1.0	-45.68	351.88	9.64	-36.04
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300018525235	0	43	-1.0	-46.00	382.92	11.19	-34.81
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300018525236	0	43	-1.0	-46.27	382.93	11.18	-35.09
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C2=CC=CC=C12	REAL300018525237	0	43	-1.0	-47.25	363.18	8.72	-38.53
CCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)S1	REAL300018525238	0	36	-1.0	-44.71	325.58	7.93	-36.78
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC2=CC=CC=C2N1C	REAL300018525239	0	39	-1.0	-48.48	339.24	7.60	-40.88
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C2OCCC2=C1	REAL300018525240	0	38	-1.0	-46.34	327.88	7.09	-39.25
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CSC(Br)=C1	REAL300018525241	0	30	-1.0	-43.80	303.64	6.93	-36.87
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1OCC1=CC=NC=C1	REAL300018525242	0	46	-1.0	-51.61	397.07	8.81	-42.80
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1OCC1=CC=CN=C1	REAL300018525243	0	46	-1.0	-51.92	397.02	8.80	-43.12
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2CCCC2)N=C1	REAL300018525244	0	44	-1.0	-45.96	365.91	7.17	-38.79
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(NS(C)(=O)=O)=C1	REAL300018525245	0	41	-1.0	-51.00	369.29	3.87	-47.13
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C2C=CNC2=CC=C1	REAL300018525246	0	37	-1.0	-48.99	323.17	7.28	-41.71
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C2C=CNC2=C1	REAL300018525247	0	37	-1.0	-47.79	323.35	7.28	-40.51
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CC1=CC=CS1	REAL300018525248	0	36	-1.0	-46.37	320.45	7.80	-38.57
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1OC(F)(F)O2	REAL300018525249	0	36	-1.0	-49.82	331.55	6.35	-43.47
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(F)C=C1C	REAL300018525250	0	36	-1.0	-44.22	315.52	8.05	-36.17
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C2OC(C)(C)CCC2=C1	REAL300018525251	0	47	-1.0	-46.48	382.59	9.08	-37.40
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CC(C)(C)C1=CC=CC=C1	REAL300018525252	0	48	-1.0	-46.82	374.64	10.75	-36.07
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1N(C)C	REAL300018525253	0	41	-1.0	-46.68	345.48	7.09	-39.59
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COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC=C1OC(F)F	REAL300018525268	0	37	-1.0	-46.12	346.90	7.38	-38.74
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COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(N2CCCC2)N=C1	REAL300018525272	0	43	-1.0	-46.68	361.01	7.14	-39.54
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300018525273	0	46	-1.0	-48.24	398.13	8.78	-39.46
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300018525274	0	46	-1.0	-48.69	396.02	8.84	-39.85
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C)N=C1C(C)C	REAL300018525276	0	42	-1.0	-47.78	357.21	6.89	-40.89
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COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1Cl	REAL300018525278	0	37	-1.0	-46.71	337.52	7.11	-39.60
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COC1=NC=C(Br)C=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525283	0	36	-1.0	-45.69	339.34	4.61	-41.08
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COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(Br)C=N1	REAL300018525285	0	32	-1.0	-45.15	308.28	6.02	-39.13
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(N2CCOCC2)S1	REAL300018525286	0	42	-1.0	-46.17	365.66	4.58	-41.59
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=NC=CC=C12	REAL300018525287	0	38	-1.0	-46.97	329.92	7.48	-39.49
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(OCC(F)(F)F)=C1	REAL300018525288	0	40	-1.0	-48.93	362.92	7.95	-40.98
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1OCCO2	REAL300018525289	0	39	-1.0	-48.78	335.34	6.44	-42.34
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COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1N1C=NC=N1	REAL300018525304	0	39	-1.0	-54.17	338.37	10.28	-43.89
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COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(N(C)C)S1	REAL300018525308	0	37	-1.0	-47.26	333.05	6.25	-41.01
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COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CSC(COC2=CC=CC=C2)=N1	REAL300018525315	0	43	-1.0	-48.72	388.42	7.55	-41.17
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COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CCC1=CC=CC(C(F)(F)F)=C1	REAL300018525319	0	45	-1.0	-46.67	391.98	10.61	-36.06
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CCC1=CC=C(C)C=C1	REAL300018525320	0	45	-1.0	-46.56	374.68	10.29	-36.27
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC(F)(F)CC1	REAL300018525321	0	36	-1.0	-44.83	303.90	6.95	-37.88
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CSC(C(C)(C)C)=N1	REAL300018525324	0	41	-1.0	-46.61	358.69	6.79	-39.82
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CSC(C2=CSC=C2)=N1	REAL300018525325	0	36	-1.0	-46.89	347.87	6.98	-39.91
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300018525326	0	40	-1.0	-47.30	366.25	10.09	-37.21
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCN(C2=CC=C(F)C=C2F)CC1	REAL300018525327	0	45	-1.0	-49.67	370.98	7.81	-41.86
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=NC=CN=C2C=C1	REAL300018525328	0	37	-1.0	-49.26	328.03	5.67	-43.59
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1OC1CCCC1	REAL300018525329	0	47	-1.0	-48.54	385.99	9.50	-39.04
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN2C=C(Cl)C=CC2=N1	REAL300018525330	0	36	-1.0	-48.65	335.69	8.27	-40.38
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(C(C)(C)C)S1	REAL300018525331	0	41	-1.0	-45.30	358.83	7.05	-38.25
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(C)SC(C)=C1	REAL300018525333	0	36	-1.0	-44.56	324.34	7.75	-36.81
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=CC=C(C)C=C2)S1	REAL300018525334	0	43	-1.0	-46.05	381.23	10.70	-35.35
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COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Cl)=C1OC	REAL300018525336	0	37	-1.0	-44.24	354.61	7.66	-36.58
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CCOC1=C(OC)C=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1OC	REAL300018525338	0	48	-1.0	-47.69	405.75	7.32	-40.37
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COC1=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=CC=C1SC	REAL300018525342	0	41	-1.0	-46.79	360.90	7.60	-39.19
CCC(C)OC1=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=CC=C1OC	REAL300018525343	0	50	-1.0	-47.31	411.27	8.79	-38.52
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COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1OCCC(C)C	REAL300018525345	0	53	-1.0	-46.94	433.15	9.48	-37.46
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COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C2=CC=CC=C2)=NN1	REAL300018525348	0	40	-1.0	-46.47	351.39	7.17	-39.30
CCOC1=CC=C([N+](=O)[O-])C=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525349	0	42	-1.0	-49.48	370.48	8.18	-41.30
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(OCC(F)(F)F)N(C)N=C1C	REAL300018525350	0	43	-1.0	-48.84	389.40	5.76	-43.08
CCCC(CC1=CC=CC=C1)NC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525351	0	45	-1.0	-48.95	362.83	9.94	-39.01
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C2=CC=CC=C2)N=N1	REAL300018525352	0	39	-1.0	-50.18	344.89	7.08	-43.10
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC(C2=CC=CC=C2)=CS1	REAL300018525353	0	39	-1.0	-48.54	355.09	8.02	-40.52
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COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CCC1=CC=C(C(F)(F)F)C=C1	REAL300018525355	0	45	-1.0	-46.93	392.01	10.62	-36.31
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COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(C2=CC=CC=C2)S1	REAL300018525357	0	39	-1.0	-46.49	357.02	8.29	-38.20
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COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC1CCC(C)C	REAL300018525359	0	48	-1.0	-45.76	376.36	9.69	-36.07
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COC1=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C2OC(C)CC2=C1	REAL300018525361	0	45	-1.0	-48.76	378.43	7.13	-41.63
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NN(C)C2=CC=CC=C12	REAL300018525362	0	39	-1.0	-48.51	341.94	7.16	-41.35
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NNC2=CC=CC=C21	REAL300018525363	0	36	-1.0	-47.04	319.08	5.87	-41.17
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C2C=CC=CC2=NN1	REAL300018525363	1	36	-1.0	-46.16	318.88	5.87	-40.29
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(N(C)C)C(F)=C1	REAL300018525364	0	41	-1.0	-46.16	353.06	6.80	-39.36
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC=CN1CC(F)(F)F	REAL300018525365	0	36	-1.0	-49.39	320.42	7.16	-42.23
COC1=C(F)C=C(C(=O)[O-])C=C1NC(CC1=CC=CC(Cl)=C1)CC(C)C	REAL300018525367	0	48	-1.0	-48.55	404.06	11.28	-37.27
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C2OC(C)(C)CC2=C1	REAL300018525368	0	44	-1.0	-46.23	369.40	8.51	-37.72
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=COC(C2=CC=CC=C2)=N1	REAL300018525369	0	39	-1.0	-48.64	348.65	5.69	-42.95
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CSC(C2=CC=CS2)=N1	REAL300018525370	0	36	-1.0	-48.08	348.46	7.07	-41.01
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CC1=CSC=C1	REAL300018525371	0	36	-1.0	-47.25	321.10	7.79	-39.46
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1CCCCCCC1	REAL300018525372	0	45	-1.0	-44.81	336.08	8.49	-36.32
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CNN=C1C1=CC=CC(C)=C1	REAL300018525373	0	43	-1.0	-49.45	367.01	8.42	-41.03
COC1=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=CC(C(F)(F)F)=C1	REAL300018525374	0	40	-1.0	-45.45	360.22	7.55	-37.90
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(Br)C=C1Cl	REAL300018525375	0	33	-1.0	-44.98	327.68	8.29	-36.69
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CSC(C)(C)C	REAL300018525376	0	42	-1.0	-47.90	351.88	8.21	-39.69
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(N(C)C)N1C	REAL300018525377	0	41	-1.0	-46.37	350.63	6.32	-40.05
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC(C2=CC=CC=C2)=CN1	REAL300018525378	0	40	-1.0	-49.83	350.91	7.54	-42.29
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(OCC(C)C)C=C1	REAL300018525379	0	46	-1.0	-45.43	384.95	8.98	-36.45
COCCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1	REAL300018525380	0	44	-1.0	-47.93	376.97	6.75	-41.18
CCC(CC1=CC=C(Cl)C=C1Cl)NC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525381	0	42	-1.0	-50.09	372.77	10.01	-40.08
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1CCCC(C)(C)C1	REAL300018525382	0	45	-1.0	-44.80	348.05	8.51	-36.29
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(OC(F)F)C(Cl)=C1	REAL300018525383	0	37	-1.0	-46.95	347.27	7.38	-39.57
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(N(C)C)C=C1C	REAL300018525384	0	44	-1.0	-46.35	360.20	8.35	-38.00
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C2CCCC2=C1	REAL300018525385	0	40	-1.0	-45.53	337.53	9.17	-36.36
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CC1=CC=CC=C1C	REAL300018525386	0	42	-1.0	-47.83	348.19	9.34	-38.49
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CC1=CC=CC(C)=C1	REAL300018525387	0	42	-1.0	-47.87	351.69	9.51	-38.36
COC1=CC2=C(C=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC)OCO2	REAL300018525388	0	40	-1.0	-48.48	346.47	5.24	-43.24
COC1=CC(Cl)=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1OC	REAL300018525389	0	41	-1.0	-47.12	365.08	6.90	-40.22
COC1=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)SC=C1	REAL300018525390	0	34	-1.0	-48.46	312.10	5.65	-42.81
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(OCC(C)C)=C1	REAL300018525391	0	46	-1.0	-46.74	384.95	8.98	-37.76
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(F)C2=CC=CC=C12	REAL300018525392	0	39	-1.0	-45.29	340.38	9.40	-35.89
C=CCOC1=C(Cl)C=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1OC	REAL300018525393	0	45	-1.0	-45.84	405.45	8.62	-37.22
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1CN1C=CC=N1	REAL300018525394	0	47	-1.0	-50.31	404.07	8.24	-42.07
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1OCC(C)C	REAL300018525395	0	46	-1.0	-48.33	383.88	9.02	-39.31
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1OC(C)(C)C2	REAL300018525396	0	44	-1.0	-49.58	369.20	8.47	-41.11
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(Cl)C=NC=C1Cl	REAL300018525397	0	32	-1.0	-44.81	315.45	6.30	-38.51
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC2=C(CCCC2)S1	REAL300018525398	0	39	-1.0	-46.86	340.51	6.99	-39.87
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=NC=C1Br	REAL300018525399	0	32	-1.0	-45.17	305.62	6.02	-39.15
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=NC=C1Cl	REAL300018525400	0	32	-1.0	-45.26	301.73	5.90	-39.36
COC1=C(F)C=C(C(=O)[O-])C=C1NCC(C)(C)N1CCOCC1	REAL300018525401	0	45	-1.0	-45.84	347.09	3.88	-41.96
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(F)=CC(Br)=C1	REAL300018525402	0	33	-1.0	-43.59	319.70	7.94	-35.65
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CC1=CC=C(F)C=C1Cl	REAL300018525403	0	39	-1.0	-49.40	351.79	9.29	-40.11
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C)N=C1C1=CC=CC=C1	REAL300018525404	0	43	-1.0	-49.98	368.54	9.05	-40.93
CCC1=NC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=N1	REAL300018525405	0	37	-1.0	-45.50	324.94	5.85	-39.65
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(N2C=CC=N2)=C1	REAL300018525406	0	40	-1.0	-51.25	350.40	8.45	-42.80
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300018525407	0	38	-1.0	-51.05	352.77	8.95	-42.10
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=NC=C2C=C1	REAL300018525408	0	38	-1.0	-46.82	332.99	7.74	-39.08
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C)=C(Br)S1	REAL300018525409	0	33	-1.0	-43.66	323.48	7.68	-35.98
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=NNC=C21	REAL300018525410	0	36	-1.0	-47.58	318.11	5.97	-41.61
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=CNN=C21	REAL300018525411	0	36	-1.0	-54.79	318.26	5.94	-48.85
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CC(Br)=CC=C2O1	REAL300018525412	0	36	-1.0	-44.83	341.16	8.38	-36.45
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C2CCCN12	REAL300018525413	0	37	-1.0	-49.17	317.99	6.83	-42.34
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCN(S(C)(=O)=O)CC1	REAL300018525414	0	41	-1.0	-54.38	347.80	3.25	-51.13
COC1=CC(F)=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1	REAL300018525415	0	37	-1.0	-45.51	327.90	6.63	-38.88
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CC1=CN=CC=N1	REAL300018525416	0	37	-1.0	-50.84	319.28	5.69	-45.15
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(C(C)(C)C)N=C1	REAL300018525417	0	43	-1.0	-45.41	363.61	7.22	-38.19
COC1=CC=CC=C1N1CCC(NC2=CC(C(=O)[O-])=CC(F)=C2OC)CC1	REAL300018525418	0	49	-1.0	-47.59	389.84	7.34	-40.25
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C)C=C1Cl	REAL300018525419	0	36	-1.0	-46.62	327.80	8.34	-38.28
COC1=CC=C(OC(F)F)C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1	REAL300018525420	0	41	-1.0	-48.17	359.66	6.15	-42.02
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(Cl)C=CC=C1OC(F)F	REAL300018525421	0	37	-1.0	-48.31	343.97	7.30	-41.01
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018525422	0	35	-1.0	-46.38	332.66	8.30	-38.08
COC1=C(F)C=C(C(=O)[O-])C=C1NCCC1=CC=CC(Cl)=C1	REAL300018525423	0	36	-1.0	-46.87	330.22	8.54	-38.33
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC1C1=CC=CC=C1	REAL300018525424	0	43	-1.0	-47.42	352.24	9.75	-37.67
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(OC2=CC=CN=C2)C(C)=C1	REAL300018525425	0	46	-1.0	-47.70	397.29	9.13	-38.57
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(C2=CC=C(C)C=C2)S1	REAL300018525426	0	42	-1.0	-46.39	378.41	8.96	-37.43
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC2=CC=CN=C21	REAL300018525427	0	38	-1.0	-49.89	348.78	8.26	-41.63
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(Cl)C=CC2=CC=CN=C21	REAL300018525428	0	38	-1.0	-53.09	345.73	8.19	-44.90
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(F)C2=CC=CN=C12	REAL300018525429	0	38	-1.0	-49.21	337.70	7.79	-41.42
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(F)=CC2=CC=CN=C21	REAL300018525430	0	38	-1.0	-49.88	338.48	7.82	-42.06
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(Cl)C2=CC=CN=C12	REAL300018525431	0	38	-1.0	-49.02	346.54	8.17	-40.85
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(S(C)=O)C=C1	REAL300018525432	0	38	-1.0	-55.10	344.20	5.85	-49.25
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300018525433	0	35	-1.0	-46.45	334.60	8.34	-38.11
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CN1CCC(C)C	REAL300018525434	0	46	-1.0	-45.44	372.73	9.61	-35.83
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300018525435	0	40	-1.0	-50.12	366.72	9.32	-40.80
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=CC=C(F)C=C2C)O1	REAL300018525436	0	43	-1.0	-45.48	379.14	9.90	-35.58
CCC1=CC=C(C2=CC=C(CNC3=CC(C(=O)[O-])=CC(F)=C3OC)O2)C=C1	REAL300018525437	0	46	-1.0	-46.60	395.12	10.59	-36.01
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C(OC(F)F)=C1	REAL300018525438	0	41	-1.0	-49.19	359.66	6.17	-43.02
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCOC(C(C)C)C1	REAL300018525439	0	43	-1.0	-44.97	342.79	6.55	-38.42
CCN1C=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C(C2=CC=CC=C2)=N1	REAL300018525440	0	46	-1.0	-49.79	390.09	9.93	-39.86
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C2CCCCC2=C1	REAL300018525441	0	43	-1.0	-45.33	354.68	9.75	-35.58
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC(C2CCCCC2)CC1	REAL300018525442	0	52	-1.0	-46.20	390.43	10.44	-35.76
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CC(C)CC(C)C	REAL300018525443	0	47	-1.0	-45.89	363.54	9.64	-36.25
COC1=C(F)C=C(C(=O)[O-])C=C1NCC(C)C1=CC=C(C)C=C1	REAL300018525444	0	42	-1.0	-46.58	350.48	9.26	-37.32
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1C(C)(C)C	REAL300018525445	0	49	-1.0	-45.63	392.66	9.24	-36.39
COCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)O1	REAL300018525446	0	37	-1.0	-47.09	328.31	5.28	-41.81
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(OC(C)(C)C)=C1	REAL300018525447	0	46	-1.0	-47.34	372.39	8.40	-38.94
COC1=C(F)C=C(C(=O)[O-])C=C1NCC(C)C1CCCCC1	REAL300018525448	0	45	-1.0	-45.17	348.92	8.73	-36.44
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(S(N)(=O)=O)C=C1	REAL300018525449	0	38	-1.0	-50.83	346.22	2.21	-48.62
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC2=CC=CC(Cl)=C2C1	REAL300018525450	0	40	-1.0	-50.02	344.94	9.37	-40.65
CCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C(C)=C1	REAL300018525451	0	43	-1.0	-45.63	360.46	8.20	-37.43
COC1=CC(C)=CC=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525452	0	40	-1.0	-48.07	341.82	7.26	-40.81
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1CCC2=CC=CC=C2C1	REAL300018525453	0	43	-1.0	-45.78	352.49	9.72	-36.06
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Cl)=C1N	REAL300018525454	0	35	-1.0	-43.11	334.98	6.26	-36.85
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC(C2=CC=C(F)C=C2)C1	REAL300018525455	0	43	-1.0	-46.18	359.88	9.83	-36.35
COCC1=CSC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1	REAL300018525456	0	37	-1.0	-46.07	337.51	6.08	-39.99
CCCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)S1	REAL300018525457	0	39	-1.0	-44.61	347.08	8.71	-35.90
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC=CN1C(C)C	REAL300018525458	0	39	-1.0	-47.07	332.84	7.04	-40.03
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC([N+](=O)[O-])=C1C	REAL300018525459	0	38	-1.0	-48.19	331.78	8.47	-39.72
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(Br)C(C)=C1	REAL300018525460	0	36	-1.0	-44.08	331.47	8.44	-35.64
COC1=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=CC=C1Cl	REAL300018525461	0	37	-1.0	-45.21	337.52	7.11	-38.10
COC1=CC=CC(C)=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525462	0	40	-1.0	-48.34	337.15	7.14	-41.20
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C2OC=CC2=CC=C1	REAL300018525463	0	36	-1.0	-49.25	319.33	7.58	-41.67
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NN(C2=CC=CC=C2)C=C1	REAL300018525464	0	40	-1.0	-49.92	350.88	8.36	-41.56
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(C(F)(F)F)S1	REAL300018525465	0	32	-1.0	-43.97	318.06	5.67	-38.30
CCC1=NN(C)C=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525466	0	39	-1.0	-47.90	337.61	6.35	-41.55
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NN2CCCCC2=C1	REAL300018525467	0	40	-1.0	-49.01	336.59	6.58	-42.43
CCC1=CC=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1	REAL300018525468	0	39	-1.0	-45.11	334.87	8.69	-36.42
COC1=NC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)S1	REAL300018525469	0	33	-1.0	-45.15	309.50	2.88	-42.27
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC2=CC=C(Cl)C=C2C1	REAL300018525470	0	37	-1.0	-45.14	331.11	8.99	-36.15
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=C(C=N1)OCCO2	REAL300018525471	0	38	-1.0	-48.25	331.42	4.60	-43.65
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C2C=CC(Cl)=CN12	REAL300018525472	0	36	-1.0	-46.45	335.55	8.19	-38.26
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C2C(C)=CC=CN12	REAL300018525473	0	39	-1.0	-48.80	340.27	8.28	-40.52
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(Cl)N1C	REAL300018525474	0	33	-1.0	-45.33	308.33	6.12	-39.21
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(Br)N1C	REAL300018525475	0	33	-1.0	-45.49	312.62	6.14	-39.35
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018525476	0	39	-1.0	-49.13	351.30	7.15	-41.98
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C(F)(F)F)=NN1	REAL300018525477	0	33	-1.0	-44.55	313.05	4.58	-39.97
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=C(F)C=CC=C2N1	REAL300018525478	0	37	-1.0	-47.45	330.38	7.26	-40.19
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=C(F)C=C2N1	REAL300018525479	0	37	-1.0	-44.99	330.28	7.25	-37.74
CCOC1=CC=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=N1	REAL300018525480	0	39	-1.0	-46.90	341.01	4.84	-42.06
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(Cl)=C1C	REAL300018525481	0	36	-1.0	-44.74	323.17	8.40	-36.34
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=NC=C2S1	REAL300018525482	0	35	-1.0	-45.66	324.11	7.01	-38.65
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C2C=CC=C(C)N12	REAL300018525483	0	39	-1.0	-48.67	331.94	8.17	-40.50
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CCC1=NNC2=CC=CC=C21	REAL300018525484	0	45	-1.0	-50.36	380.39	8.21	-42.15
C=CCCCCCC(C)NC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525485	0	45	-1.0	-46.17	370.65	9.51	-36.66
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C)=CC(Cl)=C1	REAL300018525486	0	36	-1.0	-44.76	330.12	8.42	-36.34
COCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1	REAL300018525487	0	40	-1.0	-46.51	347.05	6.99	-39.52
COCC(CC(C)(C)C)NC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525488	0	45	-1.0	-46.32	348.92	6.34	-39.98
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=CC(F)=C2N=C1	REAL300018525489	0	38	-1.0	-49.38	339.40	7.70	-41.68
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=CN=C2C(C)=C1	REAL300018525490	0	41	-1.0	-47.90	353.22	8.45	-39.45
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC(C(C)C)C1	REAL300018525491	0	45	-1.0	-45.98	348.68	8.55	-37.43
CCCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1C	REAL300018525492	0	46	-1.0	-45.59	384.92	9.03	-36.56
COC1=C(C)C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=NC=C1C	REAL300018525493	0	42	-1.0	-47.21	354.45	6.04	-41.17
COC1=CC2=CC=CC=C2C=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525494	0	43	-1.0	-48.49	366.24	8.86	-39.63
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCCC12CCCC2	REAL300018525495	0	46	-1.0	-46.52	345.72	9.33	-37.19
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(S(C)(=O)=O)S1	REAL300018525496	0	36	-1.0	-51.66	345.08	3.93	-47.73
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C2N=CC(Br)=CN2N=C1	REAL300018525497	0	35	-1.0	-49.22	335.89	6.78	-42.44
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1	REAL300018525498	0	52	-1.0	-46.38	428.35	11.47	-34.91
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(F)=C1N	REAL300018525499	0	35	-1.0	-44.84	309.34	5.28	-39.56
CCC(C)CN(C)C1=CC=C(F)C=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525501	0	53	-1.0	-46.06	416.92	10.77	-35.29
CCCCCN(C)C1=CC=C(F)C=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525502	0	53	-1.0	-46.10	434.92	10.22	-35.88
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C(F)F)C=C1	REAL300018525503	0	36	-1.0	-45.61	324.17	8.13	-37.48
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CC(Cl)=CN=C2O1	REAL300018525504	0	35	-1.0	-46.64	331.40	5.22	-41.42
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1CCC2	REAL300018525505	0	40	-1.0	-45.72	336.21	9.08	-36.64
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C)N=C1[N+](=O)[O-]	REAL300018525506	0	35	-1.0	-55.67	321.84	6.60	-49.07
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC(Cl)=CS1	REAL300018525507	0	29	-1.0	-46.21	293.75	4.81	-41.40
COC1=NSC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1	REAL300018525508	0	33	-1.0	-44.47	309.30	3.18	-41.29
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C2C=CC(Br)=CN12	REAL300018525509	0	36	-1.0	-46.21	340.11	8.29	-37.92
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC=CC2=CC=CC=C21	REAL300018525510	0	38	-1.0	-48.16	329.72	7.54	-40.62
COC1=CC=CC(Cl)=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525511	0	37	-1.0	-49.52	334.22	7.03	-42.49
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(C)N1C1=CC=CC=C1	REAL300018525512	0	43	-1.0	-47.46	371.02	9.52	-37.94
CCN(C1=CC=CC=C1)C1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1	REAL300018525513	0	51	-1.0	-45.77	426.83	12.03	-33.74
CCCN1N=C(C)C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1C	REAL300018525514	0	45	-1.0	-47.25	376.16	7.61	-39.64
CCN(CC)C1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1F	REAL300018525515	0	47	-1.0	-45.51	392.46	8.43	-37.08
CCOC1CC(NC2=CC(C(=O)[O-])=CC(F)=C2OC)C12CCCC2	REAL300018525516	0	47	-1.0	-49.56	372.22	8.24	-41.32
COC1=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C(SC)C=C1OC	REAL300018525517	0	45	-1.0	-49.42	388.31	7.36	-42.06
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCN(C2=CC=C(N(C)C)C=C2)CC1	REAL300018525518	0	53	-1.0	-47.97	412.41	8.11	-39.86
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300018525519	0	44	-1.0	-50.12	369.29	10.05	-40.07
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC12CCCC2	REAL300018525520	0	43	-1.0	-47.15	325.82	8.83	-38.32
CCCC(CNC1=CC(C(=O)[O-])=CC(F)=C1OC)C1=CC=CC=C1	REAL300018525521	0	45	-1.0	-46.27	370.36	10.04	-36.23
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC(C)CC(C2=CC=CC=C2)C1	REAL300018525522	0	49	-1.0	-46.34	386.49	11.18	-35.16
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(C2CC2)O1	REAL300018525523	0	36	-1.0	-45.98	320.70	4.56	-41.42
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(F)=CC=C1OC(C)C	REAL300018525524	0	43	-1.0	-47.34	366.61	8.21	-39.13
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC2=CC=C(F)C=C2S1	REAL300018525525	0	35	-1.0	-45.75	330.07	6.77	-38.98
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(F)=CC=C1OC(F)F	REAL300018525526	0	37	-1.0	-46.38	336.58	6.94	-39.44
COC1=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=CC2=CC=CC=C21	REAL300018525527	0	43	-1.0	-46.96	366.46	8.86	-38.10
CCOC1=CN=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1	REAL300018525528	0	39	-1.0	-46.14	338.27	5.66	-40.48
CCOC1=CC(F)=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1	REAL300018525529	0	40	-1.0	-45.31	349.76	7.55	-37.76
COC1=CC=C(C(C)CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1	REAL300018525530	0	43	-1.0	-47.59	358.56	7.87	-39.72
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C2CC2)=NN1C	REAL300018525531	0	40	-1.0	-45.54	344.32	6.90	-38.64
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC2(CCCCC2)CC1	REAL300018525533	0	49	-1.0	-45.98	361.43	9.32	-36.66
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)C(C)C1=CC=CC=C1	REAL300018525534	0	42	-1.0	-47.06	346.55	9.20	-37.86
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC2=C(C1)C1=CC=CC=C1N2	REAL300018525535	0	41	-1.0	-47.43	345.95	8.50	-38.93
COC1=C2C=CC=C(CNC3=CC(C(=O)[O-])=CC(F)=C3OC)C2=CC=C1	REAL300018525537	0	43	-1.0	-47.36	363.19	8.72	-38.64
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=NN1CC1CC1	REAL300018525538	0	40	-1.0	-50.39	341.02	7.21	-43.18
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CCC1=CC=CN=C1	REAL300018525539	0	41	-1.0	-48.50	348.10	7.83	-40.67
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(C(C)C)=C1	REAL300018525540	0	42	-1.0	-45.20	352.21	9.18	-36.02
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(S(N)(=O)=O)O1	REAL300018525541	0	35	-1.0	-51.26	329.35	0.40	-50.86
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC=C(C2=CC=C(F)C=C2)CC1	REAL300018525542	0	44	-1.0	-46.85	372.35	10.44	-36.41
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC2(CCOCC2)CC1	REAL300018525543	0	47	-1.0	-47.00	352.98	6.96	-40.04
COC1=CN=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1C	REAL300018525544	0	39	-1.0	-46.08	332.82	5.49	-40.59
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(Cl)=C1N	REAL300018525545	0	35	-1.0	-44.27	318.26	5.76	-38.51
COC1=C(F)C=C(C(=O)[O-])C=C1NCCC1=CC=C(F)C=C1Cl	REAL300018525546	0	36	-1.0	-47.08	333.64	8.51	-38.57
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CN=CC=C2O1	REAL300018525547	0	35	-1.0	-46.25	314.60	6.04	-40.21
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C(F)(F)F)S1	REAL300018525548	0	33	-1.0	-43.85	322.85	7.55	-36.30
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=C(C)C=CC=C2N1	REAL300018525549	0	40	-1.0	-45.69	344.83	7.83	-37.86
CCOC1CCC(NC2=CC(C(=O)[O-])=CC(F)=C2OC)CC1	REAL300018525550	0	43	-1.0	-46.39	342.74	7.10	-39.29
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CSC(C(F)(F)F)=C1	REAL300018525551	0	33	-1.0	-44.33	322.60	7.39	-36.94
CCCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C(C)=C1	REAL300018525552	0	46	-1.0	-45.37	381.95	9.01	-36.36
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1OC1CC1	REAL300018525553	0	45	-1.0	-47.59	381.77	8.12	-39.47
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC2(CCCC2)CC1	REAL300018525554	0	46	-1.0	-46.22	350.80	8.98	-37.24
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C(F)F)N=C1	REAL300018525555	0	35	-1.0	-46.55	319.99	6.37	-40.18
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC2=CC=CC=C2CC1	REAL300018525556	0	43	-1.0	-46.37	345.04	9.40	-36.97
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC=C(Br)S1	REAL300018525557	0	29	-1.0	-44.12	298.47	5.12	-39.00
CCC1(C)CCC(NC2=CC(C(=O)[O-])=CC(F)=C2OC)CC1	REAL300018525558	0	45	-1.0	-46.32	341.07	8.21	-38.11
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC2=CC=CC=C2C1	REAL300018525559	0	43	-1.0	-50.54	346.65	9.49	-41.05
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C)N=C1C(F)F	REAL300018525560	0	36	-1.0	-51.13	328.38	5.84	-45.29
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)C1CCCCCC1	REAL300018525561	0	45	-1.0	-45.31	340.20	8.71	-36.60
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018525562	0	45	-1.0	-47.18	378.77	9.79	-37.39
CCC1(CC)CCC(NC2=CC(C(=O)[O-])=CC(F)=C2OC)CC1	REAL300018525563	0	48	-1.0	-46.18	355.55	8.70	-37.48
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1CCOC2	REAL300018525564	0	41	-1.0	-46.22	341.78	7.17	-39.05
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1CC1C1=CC=C(F)C=C1	REAL300018525565	0	40	-1.0	-49.92	342.07	9.19	-40.73
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CC1=COC2=CC=CC=C12	REAL300018525566	0	42	-1.0	-51.82	360.18	9.13	-42.69
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(S(N)(=O)=O)=C1	REAL300018525567	0	38	-1.0	-52.19	346.22	2.20	-49.99
CCCN1N=CC=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525568	0	39	-1.0	-44.75	333.34	6.41	-38.34
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=C(C)C=C2N1	REAL300018525569	0	40	-1.0	-45.76	345.24	7.84	-37.92
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C2CCCN2N=C1	REAL300018525570	0	37	-1.0	-48.64	318.51	5.86	-42.78
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NN2CCCC2=C1	REAL300018525571	0	37	-1.0	-50.35	318.52	5.76	-44.59
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC=C(C(F)(F)F)S1	REAL300018525572	0	32	-1.0	-43.99	317.62	5.56	-38.43
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(F)=C1OC(F)F	REAL300018525573	0	37	-1.0	-49.26	336.55	6.94	-42.32
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(C)C=CC([N+](=O)[O-])=C1C	REAL300018525574	0	41	-1.0	-47.74	351.21	8.91	-38.83
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCCC(C2=CC=CC=C2)C1	REAL300018525575	0	49	-1.0	-47.42	382.55	10.75	-36.67
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=CN=C2O1	REAL300018525576	0	35	-1.0	-49.88	314.64	4.72	-45.16
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=CC(C)=CC(C)=C2)C=C1	REAL300018525577	0	49	-1.0	-46.44	409.01	12.00	-34.44
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC1C1=CC=C(Cl)C=C1	REAL300018525578	0	43	-1.0	-47.18	369.69	10.29	-36.89
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2C=NC=N2)C(C)=C1	REAL300018525579	0	42	-1.0	-49.47	360.93	10.71	-38.76
CCC1CCCC(NC2=CC(C(=O)[O-])=CC(F)=C2OC)CC1	REAL300018525580	0	45	-1.0	-46.76	343.66	8.52	-38.24
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC(C)(C)CC1	REAL300018525581	0	45	-1.0	-47.35	333.06	8.02	-39.33
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC(C(C)(C)C)CC1	REAL300018525582	0	51	-1.0	-46.95	373.48	9.33	-37.62
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CC(F)=CC=C2O1	REAL300018525583	0	36	-1.0	-45.17	326.29	7.84	-37.33
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(OCC(F)F)C=C1	REAL300018525584	0	40	-1.0	-49.72	356.36	7.80	-41.92
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=C(C=C1OC(F)F)OCO2	REAL300018525585	0	40	-1.0	-48.66	356.21	5.54	-43.12
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C(Br)=C1	REAL300018525586	0	37	-1.0	-47.14	339.93	7.04	-40.10
COCC1=CC=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1	REAL300018525587	0	40	-1.0	-46.17	347.05	6.98	-39.19
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C2=CC=C(Cl)C=C2)N=C1C	REAL300018525588	0	43	-1.0	-47.02	387.95	9.52	-37.50
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CSC(CN(C)C)=N1	REAL300018525589	0	40	-1.0	-46.89	353.20	3.73	-43.16
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300018525590	0	44	-1.0	-45.71	392.59	11.36	-34.35
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C)=C(C)C=C1OC(F)F	REAL300018525591	0	43	-1.0	-47.99	369.26	8.10	-39.89
CCC(CC1=CC=C(OC)C(OC)=C1)NC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525592	0	50	-1.0	-53.25	400.09	8.39	-44.86
COC1=C(F)C=C(C(=O)[O-])C=C1NCCC1=CC=C(C)C=C1	REAL300018525593	0	39	-1.0	-46.81	334.89	8.70	-38.11
COC1=CC(C)=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1OC	REAL300018525594	0	44	-1.0	-47.46	367.82	7.17	-40.29
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1C1CC1	REAL300018525595	0	40	-1.0	-45.73	337.37	9.30	-36.43
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-]	REAL300018525596	0	35	-1.0	-48.74	354.04	9.10	-39.64
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(Br)=C(C)S1	REAL300018525597	0	33	-1.0	-44.04	323.54	7.70	-36.34
COC1=C(F)C=C(C(=O)[O-])C=C1NCCC1=CC=C(F)C=C1F	REAL300018525598	0	36	-1.0	-47.59	325.35	8.14	-39.45
COC1=C(F)C=C(C(=O)[O-])C=C1NCCC1=CC(C)=CC(C)=C1	REAL300018525599	0	42	-1.0	-46.93	356.30	9.35	-37.58
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CNN=C1C1=CC=CC(Cl)=C1	REAL300018525600	0	40	-1.0	-50.60	362.37	8.26	-42.34
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCCC1C1=CC=CC=C1Cl	REAL300018525601	0	46	-1.0	-47.29	375.18	11.53	-35.76
COC1=CC=C(CC(C)NC2=CC(C(=O)[O-])=CC(F)=C2OC)C(C)=C1OC	REAL300018525602	0	50	-1.0	-53.63	407.29	8.60	-45.03
COC1=CC=C(N2C=C(CNC3=CC(C(=O)[O-])=CC(F)=C3OC)C=N2)C=C1	REAL300018525603	0	44	-1.0	-48.96	380.31	7.76	-41.20
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CCC1=CSC=C1	REAL300018525604	0	39	-1.0	-45.89	343.25	8.54	-37.35
COCCC1=CC=C(OCC(C)NC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1	REAL300018525605	0	50	-1.0	-46.13	415.92	8.15	-37.98
CCC(CC1=CC=C(Br)C=C1)NC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525606	0	42	-1.0	-48.64	362.61	9.82	-38.82
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C2=CC=CC=C2Cl)N=C1C	REAL300018525607	0	43	-1.0	-49.77	383.34	9.69	-40.08
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(F)C=NC=C1Br	REAL300018525608	0	32	-1.0	-45.06	310.69	6.02	-39.04
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC(C2=CC=C(Cl)C=C2)C1	REAL300018525609	0	46	-1.0	-46.21	386.90	10.80	-35.41
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC1C1=CC=C(C(F)(F)F)C=C1	REAL300018525610	0	46	-1.0	-47.29	384.48	11.22	-36.07
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CNN=C1C1=CSC=C1	REAL300018525611	0	37	-1.0	-48.75	336.83	6.68	-42.07
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C2=CC=CC=N2)=NN1	REAL300018525612	0	39	-1.0	-48.76	348.17	5.48	-43.28
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CC1=CN(C)N=C1	REAL300018525613	0	39	-1.0	-50.29	335.04	6.57	-43.72
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C2C(=C1)C=NN2C	REAL300018525614	0	38	-1.0	-48.62	336.29	6.39	-42.23
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CCC1=CC=C(F)C=C1F	REAL300018525615	0	42	-1.0	-46.22	365.14	9.72	-36.50
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(Cl)C=CC=C1SC(C)C	REAL300018525616	0	43	-1.0	-49.17	381.08	9.94	-39.23
CCC(CC1=CC=C(C(F)(F)F)C=C1)NC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525618	0	45	-1.0	-49.75	380.13	10.20	-39.55
COCC(CC1CCOCC1)NC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525619	0	47	-1.0	-45.90	375.99	5.81	-40.09
COC1=C(F)C=C(C(=O)[O-])C=C1NCCCC1=CN(C)N=C1	REAL300018525620	0	39	-1.0	-49.23	337.80	6.59	-42.64
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC1C1=CC=CC=C1Cl	REAL300018525621	0	43	-1.0	-45.50	365.94	10.17	-35.33
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(N2CCN(C)CC2)N=C1	REAL300018525622	0	48	-1.0	-46.55	395.36	5.55	-41.00
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300018525623	0	44	-1.0	-46.44	382.66	10.89	-35.55
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300018525624	0	46	-1.0	-50.71	384.91	9.06	-41.65
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC2=CC(C(F)(F)F)=CC=C2N1C	REAL300018525625	0	42	-1.0	-48.53	377.35	8.58	-39.95
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC1C1=CC=CC(C(F)(F)F)=C1	REAL300018525626	0	46	-1.0	-49.20	381.58	11.05	-38.15
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC2=C(CC(C)CC2)S1	REAL300018525627	0	42	-1.0	-46.47	361.31	7.60	-38.87
CCC1=CN=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)S1	REAL300018525628	0	35	-1.0	-46.15	320.17	5.97	-40.18
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1N1CCCCC1	REAL300018525629	0	48	-1.0	-47.07	388.01	9.14	-37.93
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC2COCCC2C1	REAL300018525630	0	44	-1.0	-46.05	341.17	7.06	-38.99
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC2(C1)COC(C)(C)C2	REAL300018525631	0	44	-1.0	-48.16	355.53	6.91	-41.25
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC2(C1)COC(C)C2	REAL300018525632	0	41	-1.0	-47.60	335.13	6.25	-41.35
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCOC2=CC=CC=C2C1	REAL300018525633	0	41	-1.0	-46.49	339.35	7.70	-38.79
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC2=C(C=CS2)C1	REAL300018525634	0	40	-1.0	-49.30	339.24	8.64	-40.66
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C2C(=CC=C1)N=CN2C	REAL300018525635	0	39	-1.0	-47.61	332.46	8.70	-38.91
COC1=CC=C(C)C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1	REAL300018525636	0	40	-1.0	-46.63	338.61	7.27	-39.36
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NOC(C2CCC2)=C1	REAL300018525637	0	39	-1.0	-45.99	337.14	7.49	-38.50
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NOC(C2(C)CC2)=C1	REAL300018525638	0	39	-1.0	-45.97	339.55	7.39	-38.58
CCC1=CC=CC=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525639	0	39	-1.0	-45.28	327.87	8.65	-36.63
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C)=CC(F)=C1	REAL300018525640	0	36	-1.0	-45.27	319.80	7.99	-37.28
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C)C(C)=C1C	REAL300018525641	0	42	-1.0	-45.52	343.84	9.07	-36.45
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1C(C)(C)C	REAL300018525642	0	45	-1.0	-45.15	350.67	9.79	-35.36
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C2CCCCCN12	REAL300018525643	0	43	-1.0	-47.14	348.06	7.65	-39.49
COC1=CC=C2SC(CNC3=CC(C(=O)[O-])=CC(F)=C3OC)=CC2=C1	REAL300018525644	0	40	-1.0	-46.87	358.92	8.08	-38.79
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CON=C1C1CC1	REAL300018525645	0	36	-1.0	-45.89	320.26	6.85	-39.04
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C2=CC=CC=C2)=NO1	REAL300018525646	0	39	-1.0	-46.48	346.95	8.42	-38.06
CCN1CCC2=CC(CNC3=CC(C(=O)[O-])=CC(F)=C3OC)=CC=C21	REAL300018525647	0	45	-1.0	-45.72	368.89	7.75	-37.97
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC2(COC(C)(C)C2)CC1	REAL300018525648	0	50	-1.0	-47.91	378.72	7.72	-40.19
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(SC)C(Cl)=C1	REAL300018525649	0	37	-1.0	-46.19	347.21	8.72	-37.47
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2CC2)C(C)=C1	REAL300018525650	0	43	-1.0	-45.35	358.41	9.88	-35.47
COC1=CC=CC2=C1CCCC(NC1=CC(C(=O)[O-])=CC(F)=C1OC)C2	REAL300018525651	0	47	-1.0	-50.08	374.17	8.85	-41.23
CCOC1=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=CC=N1	REAL300018525652	0	39	-1.0	-46.38	340.93	4.91	-41.47
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C)C(C2CC2)=C1	REAL300018525653	0	43	-1.0	-45.49	358.42	9.88	-35.61
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2C=CC(C)=N2)C=C1C	REAL300018525654	0	46	-1.0	-49.50	389.43	9.75	-39.75
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300018525655	0	39	-1.0	-44.32	363.19	9.13	-35.19
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2C=C(Cl)C=N2)C=C1C	REAL300018525656	0	43	-1.0	-47.37	384.64	9.66	-37.71
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2C=C(Cl)C(C)=N2)C=C1	REAL300018525657	0	43	-1.0	-47.99	388.90	9.54	-38.45
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCCC1CC(C)C	REAL300018525658	0	45	-1.0	-45.95	354.89	8.91	-37.04
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(C2CCOCC2)O1	REAL300018525659	0	43	-1.0	-46.35	364.27	3.72	-42.63
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NOC(C2CC2)=C1	REAL300018525660	0	36	-1.0	-46.27	320.57	6.97	-39.30
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C2OC(C)C(C)C2=C1	REAL300018525661	0	44	-1.0	-46.32	365.38	8.35	-37.97
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C)C(OC(F)F)=C1	REAL300018525662	0	40	-1.0	-49.34	351.32	7.58	-41.76
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C(C)C)=CC=C1O	REAL300018525663	0	43	-1.0	-47.63	362.25	6.36	-41.27
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(C)C(C(F)(F)F)=NN1	REAL300018525664	0	36	-1.0	-44.04	329.45	5.09	-38.95
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC2(CCC2)CC1	REAL300018525665	0	43	-1.0	-46.16	336.80	8.46	-37.70
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C)C(O)=C1	REAL300018525666	0	37	-1.0	-46.60	323.08	5.16	-41.44
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC(C2CC2)=CS1	REAL300018525667	0	36	-1.0	-46.65	327.62	6.46	-40.19
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(CC2CC2)N=N1	REAL300018525668	0	39	-1.0	-50.17	341.52	6.15	-44.02
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C2CCOC2=C1	REAL300018525669	0	38	-1.0	-47.66	327.84	7.10	-40.56
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC2=C(CCCC2)N1	REAL300018525670	0	40	-1.0	-47.65	334.94	6.30	-41.35
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C2COCCC2=C1	REAL300018525671	0	41	-1.0	-46.40	345.72	7.35	-39.05
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(C)C=CC=C1F	REAL300018525672	0	36	-1.0	-47.93	314.31	7.79	-40.14
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1C1CCC1	REAL300018525673	0	43	-1.0	-45.70	353.48	9.74	-35.96
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C)N=C1C1CCOCC1	REAL300018525674	0	47	-1.0	-48.42	389.77	6.39	-42.03
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=CC(C2=CC=CN=C2)=C1	REAL300018525675	0	41	-1.0	-48.77	356.28	7.10	-41.67
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC(COCC2=CC=CC=C2)C1	REAL300018525676	0	47	-1.0	-48.31	394.36	9.37	-38.94
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(SC)=C1	REAL300018525677	0	37	-1.0	-46.87	332.20	8.27	-38.60
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=NN1C(C)(C)C	REAL300018525678	0	42	-1.0	-44.60	342.38	7.15	-37.45
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC2=CC(Cl)=CC=C2C1	REAL300018525679	0	40	-1.0	-46.97	348.16	9.50	-37.47
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(C(C)C)C=NN1C	REAL300018525680	0	42	-1.0	-44.87	354.14	6.73	-38.14
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC(C2=CC=CC=C2Br)C1	REAL300018525681	0	40	-1.0	-47.24	352.92	9.63	-37.61
CCC(NC1=CC(C(=O)[O-])=CC(F)=C1OC)C(C)CC1=CC=CC=C1	REAL300018525682	0	48	-1.0	-46.64	376.50	10.31	-36.33
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(CC2CC2)S1	REAL300018525683	0	40	-1.0	-44.73	357.19	9.49	-35.24
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(OC2CC2)C=C1	REAL300018525684	0	41	-1.0	-46.09	352.53	8.23	-37.86
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(OC(F)(F)F)C=C1F	REAL300018525685	0	37	-1.0	-45.14	343.54	7.07	-38.07
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300018525686	0	39	-1.0	-45.79	363.18	9.13	-36.66
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2C=CN=C2C)C=C1C	REAL300018525687	0	46	-1.0	-47.49	388.85	10.44	-37.05
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2C=NC(C)=C2C)C=C1	REAL300018525688	0	46	-1.0	-48.13	389.73	10.87	-37.26
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300018525689	0	47	-1.0	-45.37	386.94	11.28	-34.09
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(C)C2=CC(F)=CC=C2O1	REAL300018525691	0	39	-1.0	-45.13	346.70	8.47	-36.66
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CC1=CC=C(Cl)C=C1F	REAL300018525692	0	39	-1.0	-49.78	353.74	9.36	-40.42
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C2=CC=CC=C2)=NN1C	REAL300018525693	0	43	-1.0	-46.90	372.06	8.37	-38.53
CCCN1C=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=N1	REAL300018525694	0	39	-1.0	-48.99	337.89	6.58	-42.41
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NN(C(C)C)C=C1	REAL300018525695	0	39	-1.0	-48.64	335.08	6.34	-42.30
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=CC(C(C)(C)C)=C1	REAL300018525696	0	44	-1.0	-45.32	363.38	7.75	-37.57
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NN(CC(F)(F)F)C=C1	REAL300018525697	0	36	-1.0	-52.45	334.27	6.31	-46.14
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC2=C(CCCC2)N1C	REAL300018525698	0	43	-1.0	-48.42	355.57	7.91	-40.51
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C)N=C1C(F)(F)F	REAL300018525699	0	36	-1.0	-50.91	331.79	6.17	-44.74
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=CC=C2C=N1	REAL300018525700	0	38	-1.0	-48.81	333.14	7.68	-41.13
COC1=NC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=CC=C1C	REAL300018525701	0	39	-1.0	-47.00	339.28	4.63	-42.37
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(C(F)F)=C1F	REAL300018525702	0	36	-1.0	-53.25	330.57	8.19	-45.06
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1COCC2	REAL300018525703	0	41	-1.0	-47.08	341.80	7.19	-39.89
CCOC1=CC=C(Cl)C=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525704	0	40	-1.0	-47.04	359.00	8.03	-39.01
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CNN=C1C1=CC=CC(F)=C1	REAL300018525705	0	40	-1.0	-51.56	352.04	7.82	-43.74
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=C(CCCC2)O1	REAL300018525706	0	40	-1.0	-45.76	336.27	8.09	-37.67
CCC(C)N1N=CC=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525707	0	42	-1.0	-44.65	353.32	7.01	-37.64
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C2CCCCC2)N=C1	REAL300018525708	0	46	-1.0	-46.42	376.64	8.30	-38.12
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC2CCCCC2C1	REAL300018525709	0	43	-1.0	-45.50	337.40	8.68	-36.82
COC1=C(C(C)(C)C)C=CC=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525710	0	49	-1.0	-46.66	383.95	9.63	-37.03
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC(Br)=CN1C	REAL300018525711	0	33	-1.0	-48.49	313.35	6.09	-42.40
COC1=CC(C)=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=N1	REAL300018525712	0	39	-1.0	-45.51	336.60	4.64	-40.87
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC2=CC=CC=C2S1	REAL300018525713	0	35	-1.0	-48.29	323.65	6.70	-41.59
COC1=CC=CC(C2CC(NC3=CC(C(=O)[O-])=CC(F)=C3OC)C2)=C1	REAL300018525714	0	44	-1.0	-47.00	364.55	8.46	-38.54
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC(C2=NC(C)=NO2)C1	REAL300018525715	0	38	-1.0	-47.37	330.51	4.85	-42.52
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC(C2CCOCC2)C1	REAL300018525716	0	44	-1.0	-46.51	352.75	7.09	-39.42
CCCN1C=NC=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525717	0	39	-1.0	-47.14	332.19	8.09	-39.05
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(C)C=C(C)C(Br)=C1C	REAL300018525718	0	42	-1.0	-44.59	362.30	9.37	-35.22
COC1=C(F)C=C(C(=O)[O-])C=C1NCC=CC1=CC=C2OCOC2=C1	REAL300018525719	0	40	-1.0	-48.85	349.09	7.21	-41.64
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(CC2CCC2)C=C1	REAL300018525720	0	46	-1.0	-45.07	383.10	10.78	-34.29
COC1=CC=C(CC(C)NC2=CC(C(=O)[O-])=CC(F)=C2OC)C(C)=C1	REAL300018525721	0	46	-1.0	-49.94	376.49	8.58	-41.36
CCC1=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=NN1CC	REAL300018525722	0	42	-1.0	-47.21	354.73	7.14	-40.07
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(C)OC=C1C(F)(F)F	REAL300018525723	0	36	-1.0	-47.20	332.68	7.01	-40.19
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(C(C)(F)F)=C1	REAL300018525724	0	39	-1.0	-46.24	345.19	8.78	-37.46
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=CSC=C2)N=C1	REAL300018525725	0	39	-1.0	-47.21	354.92	8.04	-39.17
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CNN=C1C1=CN(C)N=C1	REAL300018525726	0	40	-1.0	-53.67	351.17	5.44	-48.23
COC1=CC=C(CCC(C)NC2=CC(C(=O)[O-])=CC(F)=C2OC)C(C)=C1	REAL300018525727	0	49	-1.0	-47.82	398.14	9.39	-38.43
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC2CCCCCC2C1	REAL300018525728	0	46	-1.0	-45.42	352.63	9.21	-36.21
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC(C)C2=CC=CC=C2C1	REAL300018525729	0	46	-1.0	-50.55	362.96	9.92	-40.63
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=CSC=C2)C=C1	REAL300018525730	0	40	-1.0	-45.90	357.56	9.68	-36.22
CCOC1=CC(CCC(C)NC2=CC(C(=O)[O-])=CC(F)=C2OC)=CC=C1O	REAL300018525731	0	50	-1.0	-48.99	415.37	7.67	-41.32
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=CC(Cl)=CC=C21	REAL300018525732	0	39	-1.0	-46.00	351.52	9.87	-36.13
COC1=C(C)C(C)=C(OC)C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1C	REAL300018525733	0	50	-1.0	-46.91	404.25	7.90	-39.01
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1OC1CCCCC1	REAL300018525734	0	50	-1.0	-48.47	401.83	10.07	-38.40
C=CCC1=CC=CC=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525735	0	40	-1.0	-45.64	341.50	9.22	-36.42
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1COC1CCCCC1	REAL300018525736	0	53	-1.0	-45.20	425.46	10.73	-34.47
COC1=CC=CC(OC2=CC=C(CNC3=CC(C(=O)[O-])=CC(F)=C3OC)C=C2)=C1	REAL300018525737	0	48	-1.0	-47.66	410.19	9.41	-38.25
COC1=CC=CC=C1OC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1	REAL300018525738	0	48	-1.0	-49.13	411.28	10.04	-39.09
COCC1=CC=CC=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525739	0	40	-1.0	-45.31	341.68	7.10	-38.21
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300018525740	0	46	-1.0	-44.99	404.39	11.92	-33.07
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(SC(F)(F)F)=C1	REAL300018525741	0	37	-1.0	-44.48	348.39	8.71	-35.77
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C2CCOCC2=C1	REAL300018525742	0	41	-1.0	-46.46	345.63	7.33	-39.13
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(C)C2=CC=C(F)C=C2S1	REAL300018525743	0	39	-1.0	-45.23	353.40	9.36	-35.87
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C2=CC=NC=C2)=NN1	REAL300018525744	0	39	-1.0	-46.80	346.61	5.41	-41.39
COC1=CC=C(F)C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1OC	REAL300018525745	0	41	-1.0	-49.37	356.30	6.55	-42.82
COC1=C(F)C=C(C(=O)[O-])C=C1NCC=CC1=CC=NC=C1	REAL300018525746	0	36	-1.0	-47.05	318.04	6.79	-40.26
CCN1C=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C(C2CC2)=N1	REAL300018525747	0	43	-1.0	-48.01	369.28	8.08	-39.93
CCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)N=C1	REAL300018525748	0	38	-1.0	-46.82	329.88	6.83	-39.99
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1OCCO	REAL300018525749	0	45	-1.0	-50.64	383.96	4.29	-46.35
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C)N=C1C1=CC=NN1C	REAL300018525750	0	43	-1.0	-51.85	377.55	6.16	-45.69
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CON=C1C(C)(C)C	REAL300018525751	0	41	-1.0	-45.35	338.54	7.41	-37.94
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=CN=CC=C2C=C1	REAL300018525752	0	38	-1.0	-46.88	332.99	7.74	-39.14
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C2OC(C)=CC2=CC=C1	REAL300018525753	0	39	-1.0	-49.68	341.23	8.41	-41.27
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(F)=C1C(F)(F)F	REAL300018525754	0	36	-1.0	-50.21	327.48	8.70	-41.51
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(F)C=CC=C1OCC(F)(F)F	REAL300018525755	0	40	-1.0	-54.11	366.90	8.03	-46.08
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CON=C1C1CCC1	REAL300018525756	0	39	-1.0	-45.53	336.68	7.32	-38.21
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C(F)(F)F)C=C1F	REAL300018525757	0	36	-1.0	-45.84	336.31	8.29	-37.55
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(OC(C)C)C(F)=C1	REAL300018525758	0	43	-1.0	-47.41	367.49	8.18	-39.23
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C)=NN1C1CCCC1	REAL300018525759	0	46	-1.0	-44.84	380.25	8.28	-36.56
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=NN1CC(F)F	REAL300018525760	0	36	-1.0	-46.05	314.78	6.21	-39.84
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300018525762	0	40	-1.0	-49.00	357.23	8.53	-40.47
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NN(C2CCC2)C=C1	REAL300018525763	0	40	-1.0	-48.55	338.10	6.82	-41.73
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NN(CC(F)F)C=C1	REAL300018525764	0	36	-1.0	-49.22	329.39	6.11	-43.11
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NN(C2CC2(F)F)C=C1	REAL300018525765	0	37	-1.0	-52.33	337.90	6.68	-45.65
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC2CCCC(C2)C1	REAL300018525766	0	43	-1.0	-47.55	327.00	8.19	-39.36
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NN(C2CCCC2)C=C1	REAL300018525767	0	43	-1.0	-47.91	357.78	7.60	-40.31
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C2OC=CC2=C(F)C=C1	REAL300018525768	0	36	-1.0	-47.95	325.76	7.65	-40.30
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C2OC=CC2=CC(Cl)=C1	REAL300018525769	0	36	-1.0	-47.28	336.06	8.09	-39.19
COC1=C(F)C=C(C(=O)[O-])C=C1NCC=CC1=CC=CC=C1	REAL300018525771	0	37	-1.0	-46.05	323.03	8.56	-37.49
COC1=CC=C2SC(CNC3=CC(C(=O)[O-])=CC(F)=C3OC)=NC2=C1	REAL300018525772	0	39	-1.0	-49.62	353.18	5.98	-43.64
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C2C=C(Br)C=CN12	REAL300018525773	0	36	-1.0	-45.95	340.15	8.30	-37.65
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(C)C=C(Br)C=C1C	REAL300018525774	0	39	-1.0	-43.77	347.90	8.90	-34.87
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NN(C)C(C2=CC=CO2)=C1	REAL300018525775	0	40	-1.0	-48.99	353.62	6.56	-42.43
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(Cl)C=CC2=C1OCO2	REAL300018525776	0	36	-1.0	-48.69	332.06	6.32	-42.37
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2CCCCC2)C=C1	REAL300018525777	0	49	-1.0	-44.72	393.84	11.07	-33.65
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C2CCC2)N=C1C	REAL300018525778	0	43	-1.0	-47.28	361.48	7.59	-39.69
COC1=CC=CC=C1C=CCNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525779	0	41	-1.0	-48.74	351.40	7.91	-40.83
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=CC=CC=N2)N=C1	REAL300018525780	0	41	-1.0	-48.32	361.17	7.60	-40.72
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C2=CC=CO2)=NN1C	REAL300018525781	0	40	-1.0	-48.12	355.30	6.50	-41.62
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300018525783	0	46	-1.0	-46.63	394.78	11.72	-34.91
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC(C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300018525784	0	44	-1.0	-46.14	381.13	8.92	-37.22
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC(C2=CC=CC=C2)=CC=N1	REAL300018525785	0	42	-1.0	-48.23	361.58	8.84	-39.39
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C(C)(C)C)N=C1C(C)(C)C	REAL300018525786	0	54	-1.0	-46.86	425.08	9.81	-37.05
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC(C2=CC=C(C)C=C2)CC1	REAL300018525787	0	49	-1.0	-46.53	387.01	11.27	-35.26
COC1=CC(C)=CC(OC)=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525788	0	44	-1.0	-51.17	369.70	6.63	-44.54
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(CF)C=C1	REAL300018525789	0	36	-1.0	-46.38	319.97	8.08	-38.30
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300018525790	0	37	-1.0	-44.06	354.01	7.60	-36.46
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C2SC=CC2=C1	REAL300018525791	0	36	-1.0	-45.54	328.91	8.62	-36.92
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=CC=NC=C2)C=C1	REAL300018525792	0	42	-1.0	-47.48	361.40	8.92	-38.56
COC1=C(F)C=C(C(=O)[O-])C=C1NC(C)CC1=CN(C)N=C1	REAL300018525793	0	39	-1.0	-50.29	335.04	6.57	-43.72
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC2CC=CCC2C1	REAL300018525794	0	41	-1.0	-45.45	329.13	8.54	-36.91
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC(C)=C1C(F)(F)F	REAL300018525795	0	39	-1.0	-48.56	338.39	9.13	-39.43
C=CCN1C=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=N1	REAL300018525796	0	37	-1.0	-47.43	329.13	6.47	-40.96
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=NNC=C2C=C1	REAL300018525797	0	36	-1.0	-52.75	318.24	5.97	-46.78
CCC(C)C1=CC=C(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1	REAL300018525798	0	45	-1.0	-44.87	370.66	9.85	-35.02
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC2(C1)CCOCC2	REAL300018525799	0	44	-1.0	-46.22	343.46	6.66	-39.56
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=NC=C(CC2=CC=CC=C2)N1C	REAL300018525800	0	46	-1.0	-48.03	391.43	9.74	-38.29
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1CCCC2	REAL300018525801	0	43	-1.0	-45.54	350.48	9.56	-35.98
COC1=C(F)C=C(C(=O)[O-])C=C1NCC(C)=CC1=CC(F)=CC(F)=C1	REAL300018525802	0	40	-1.0	-44.80	352.48	9.16	-35.64
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2C=CN=N2)C=C1	REAL300018525803	0	39	-1.0	-51.42	344.36	7.17	-44.25
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=C(C)C2=CC=CC=C2C=C1	REAL300018525804	0	42	-1.0	-46.32	351.55	9.90	-36.42
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C(C)(C)C)N=C1C(C)C	REAL300018525805	0	51	-1.0	-47.17	417.16	8.90	-38.27
COC1=C2C=CNC2=CC=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525806	0	41	-1.0	-50.95	350.93	7.06	-43.89
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2CCC(O)C2)C=C1	REAL300018525807	0	46	-1.0	-47.30	379.59	4.26	-43.04
CCCN1N=CC(CNC2=CC(C(=O)[O-])=CC(F)=C2OC)=C1C	REAL300018525808	0	42	-1.0	-47.15	356.67	7.10	-40.05
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(N2C=CC=N2)C(C)=C1	REAL300018525809	0	42	-1.0	-47.96	364.12	8.59	-39.37
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC1CC1=CC=CC=C1	REAL300018525810	0	43	-1.0	-46.15	357.18	10.25	-35.90
CCCN1N=C(C)C=C1CNC1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300018525811	0	42	-1.0	-44.89	355.27	6.99	-37.90
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN(C)N=C1C1CCC1	REAL300018525812	0	43	-1.0	-47.76	363.62	7.67	-40.09
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(C(C)(C)C)O1	REAL300018525813	0	41	-1.0	-45.67	351.19	4.75	-40.92
O=C([O-])C1=CC=CC=C1C1=CC=C(CNCC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525847	1	45	-1.0	-60.86	397.21	10.75	-50.11
CC1=C(C(=O)[O-])C=C(CNCC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525848	0	38	-1.0	-52.40	342.09	7.21	-45.19
O=C([O-])C1=C(CNCC2=CC=C(C3=CSC=C3)N=C2)C=CO1	REAL300018525849	1	35	-1.0	-52.56	320.45	6.46	-46.10
O=C([O-])C1=COC(CNCC2=CC=C(C3=CSC=C3)N=C2)=C1	REAL300018525851	0	35	-1.0	-51.99	324.11	6.48	-45.51
O=C([O-])CN1C=C(CNCC2=CC=C(C3=CSC=C3)N=C2)N=N1	REAL300018525853	0	37	-1.0	-53.73	337.78	5.06	-48.67
O=C([O-])C1=CC=C(CNCC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525854	0	35	-1.0	-52.76	323.86	6.73	-46.03
O=C([O-])C1=CC=C(CNCC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525855	0	35	-1.0	-52.76	323.86	6.73	-46.03
O=C([O-])C1=CC=C(C2=CC=C(CNCC3=CC=C(C4=CSC=C4)N=C3)O2)C=C1	REAL300018525857	1	45	-1.0	-53.32	400.98	10.08	-43.24
O=C([O-])C1=CC=C(C2=CC=C(CNCC3=CC=C(C4=CSC=C4)N=C3)O2)C=C1	REAL300018525858	1	45	-1.0	-53.32	400.98	10.08	-43.24
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1CNCC1=CC=C(C2=CSC=C2)N=C1	REAL300018525861	1	45	-1.0	-62.39	396.08	9.44	-52.95
O=C([O-])C1=NNC(CNCC2=CC=C(C3=CSC=C3)N=C2)=C1	REAL300018525862	1	35	-1.0	-55.96	322.45	4.67	-51.29
CC1=NN(CCC(=O)[O-])C(C)=C1CNCC1=CC=C(C2=CSC=C2)N=C1	REAL300018525865	1	47	-1.0	-49.04	404.41	7.94	-41.10
O=C([O-])C1=CC(CNCC2=CC=C(C3=CSC=C3)N=C2)=CS1	REAL300018525868	1	35	-1.0	-52.40	331.58	7.29	-45.11
O=C([O-])C1=NOC(CNCC2=CC=C(C3=CSC=C3)N=C2)=C1	REAL300018525870	0	34	-1.0	-53.48	318.26	5.77	-47.71
O=C([O-])C1=CC=CC(CNCC2=CC=C(C3=CSC=C3)N=C2)=N1	REAL300018525871	0	37	-1.0	-61.11	336.88	6.40	-54.71
O=C([O-])C1=NOC(CNCC2=CC=C(C3=CSC=C3)N=C2)=C1	REAL300018525872	0	34	-1.0	-53.48	318.26	5.77	-47.71
O=C([O-])C=CC1=CC=C(CNCC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525878	0	39	-1.0	-57.15	358.35	6.33	-50.82
CC1=C(CNCC2=CC=C(C3=CSC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300018525881	1	38	-1.0	-56.23	343.14	7.38	-48.85
CC1=C(C(=O)[O-])OC(CNCC2=CC=C(C3=CSC=C3)N=C2)=C1	REAL300018525882	0	38	-1.0	-53.62	341.82	7.32	-46.30
O=C([O-])C1=CC=C(CNCC2=CC=C(C3=CSC=C3)N=C2)C=C1Cl	REAL300018525883	1	38	-1.0	-52.12	353.55	8.63	-43.49
O=C([O-])C1=CC=C(CNCC2=CC=C(C3=CSC=C3)N=C2)C(C(F)(F)F)=C1	REAL300018525887	1	41	-1.0	-51.54	371.57	9.70	-41.84
CN1C=C(CNCC2=CC=C(C3=CSC=C3)N=C2)C(C(=O)[O-])=N1	REAL300018525888	1	38	-1.0	-60.48	342.30	6.04	-54.44
CCC1=C(C(=O)[O-])C=C(CNCC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525889	0	41	-1.0	-53.05	363.59	7.98	-45.07
O=C([O-])C1=CC=C(CNCC2=CC=C(C3=CSC=C3)N=C2)N=C1	REAL300018525892	0	37	-1.0	-49.63	336.19	6.39	-43.24
CN1N=C(C(=O)[O-])C=C1CNCC1=CC=C(C2=CSC=C2)N=C1	REAL300018525894	1	38	-1.0	-60.55	342.90	5.91	-54.64
O=C([O-])CCC1=CC=C(CNCC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525895	0	41	-1.0	-50.27	365.84	8.11	-42.16
O=C([O-])C1=CC(CNCC2=CC=C(C3=CSC=C3)N=C2)=CC=C1F	REAL300018525896	1	38	-1.0	-57.36	345.59	8.26	-49.10
O=C([O-])C1=C2N=CC(CNCC3=CC=C(C4=CSC=C4)N=C3)=CN2N=C1	REAL300018525899	1	40	-1.0	-65.36	363.85	7.19	-58.17
O=C([O-])C1=CC=C(CNCC2=CC=C(C3=CSC=C3)N=C2)C=N1	REAL300018525900	1	37	-1.0	-57.25	336.75	6.44	-50.81
O=C([O-])C1=CC(F)=C(CNCC2=CC=C(C3=CSC=C3)N=C2)C(F)=C1	REAL300018525901	0	38	-1.0	-45.32	351.61	8.28	-37.04
O=C([O-])C1=CN2C(CNCC3=CC=C(C4=CSC=C4)N=C3)=CN=C2C=C1	REAL300018525902	1	41	-1.0	-50.91	367.89	8.64	-42.27
CC1=CC(C(=O)[O-])=NC=C1CNCC1=CC=C(C2=CSC=C2)N=C1	REAL300018525903	1	40	-1.0	-58.46	352.15	7.04	-51.42
O=C([O-])C1=CN=C2C(CNCC3=CC=C(C4=CSC=C4)N=C3)=CC=CN12	REAL300018525905	1	41	-1.0	-61.99	366.73	7.95	-54.04
O=C([O-])[C@H]1C[C@H](N2C=CC(CNCC3=CC=C(C4=CSC=C4)N=C3)=N2)C1	REAL300018525906	0	45	-1.0	-50.01	387.63	7.82	-42.19
O=C([O-])[C@H]1C[C@H](N2N=CC=C2CNCC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300018525907	1	45	-1.0	-53.16	388.11	8.11	-45.05
O=C([O-])C1=CC(CNCC2=CC=C(C3=CSC=C3)N=C2)=CC(C(F)(F)F)=C1	REAL300018525908	1	41	-1.0	-51.68	379.75	9.21	-42.47
CC1(C)OC2(CNCC3=CN(C4=CC=C(F)C(Cl)=C4)N=N3)CC1(C(=O)[O-])C2	REAL300018525910	1	46	-1.0	-48.64	391.85	6.54	-42.10
CC1(C)OC2(CNCC3=CN(CC4=CC=CN=C4)N=N3)CC1(C(=O)[O-])C2	REAL300018525916	1	48	-1.0	-52.45	389.35	4.71	-47.74
CC(C)C1=CN=C(CNCC23CC(C(=O)[O-])(C2)C(C)(C)O3)S1	REAL300018525918	1	45	-1.0	-46.23	364.92	5.50	-40.73
CC1(C)OC2(CNCC3=C(F)C=CC=C3OC(F)(F)F)CC1(C(=O)[O-])C2	REAL300018525953	1	44	-1.0	-46.58	369.40	6.19	-40.39
COCC1=CC(CNCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=NO1	REAL300018525956	0	43	-1.0	-46.99	346.94	3.36	-43.63
CC(C)N1C=C(CNCC23CC(C(=O)[O-])(C2)C(C)(C)O3)N=N1	REAL300018525958	1	45	-1.0	-49.54	353.41	4.03	-45.51
CC1=CC=CC=C1N1C=C(CNCC23CC(C(=O)[O-])(C2)C(C)(C)O3)N=N1	REAL300018525960	1	49	-1.0	-51.54	390.88	6.82	-44.72
CC1(C)OC2(CNCC3=CSC(C4=CC=C(F)C=C4)=N3)CC1(C(=O)[O-])C2	REAL300018525997	1	46	-1.0	-45.79	387.61	7.00	-38.79
CC1=NN(C)C(Cl)=C1CNCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525998	1	43	-1.0	-47.24	357.58	4.95	-42.29
CC1(C)OC2(CNCC3=CSC(C4=CC=CC=N4)=N3)CC1(C(=O)[O-])C2	REAL300018526663	1	45	-1.0	-51.48	376.62	5.07	-46.41
CC1=CC=C(C2=NC(CNCC34CC(C(=O)[O-])(C3)C(C)(C)O4)=CS2)C=C1	REAL300018526694	1	49	-1.0	-46.89	402.61	7.62	-39.27
CC(C)C1=NC(CNCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CS1	REAL300018526695	1	45	-1.0	-45.37	364.12	5.18	-40.19
CC1(C)OC2(CNCC3=CSC(C4CC4)=N3)CC1(C(=O)[O-])C2	REAL300018526696	1	43	-1.0	-45.79	352.81	5.37	-40.42
CC1(C)OC2(CNCC3=CSC(COC4=CC=CC=C4)=N3)CC1(C(=O)[O-])C2	REAL300018526698	1	50	-1.0	-48.77	412.79	6.46	-42.31
CCC1=NC(CNCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CS1	REAL300018526699	1	42	-1.0	-45.42	344.41	4.61	-40.81
CC(C)(C)C1=NC(CNCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CS1	REAL300018526707	1	48	-1.0	-45.27	383.06	5.69	-39.58
CC1(C)OC2(CNCC3=CSC(C4=CSC=C4)=N3)CC1(C(=O)[O-])C2	REAL300018526708	1	43	-1.0	-46.08	372.24	5.88	-40.20
CC1(C)OC2(CNCC3=CN(C4=CC=CC=C4)N=N3)CC1(C(=O)[O-])C2	REAL300018526735	1	46	-1.0	-50.94	369.26	5.96	-44.98
CC1(C)OC2(CNCC3=NC(C4=CC=CC=C4)=CS3)CC1(C(=O)[O-])C2	REAL300018526736	1	46	-1.0	-48.78	379.45	6.92	-41.86
CC1(C)OC2(CNCC3=NC=CN3CC(F)(F)F)CC1(C(=O)[O-])C2	REAL300018526748	1	43	-1.0	-47.36	353.56	5.65	-41.71
CC1(C)OC2(CNCC3=COC(C4=CC=CC=C4)=N3)CC1(C(=O)[O-])C2	REAL300018526752	1	46	-1.0	-48.52	373.02	4.58	-43.94
CC1(C)OC2(CNCC3=CSC(C4=CC=CS4)=N3)CC1(C(=O)[O-])C2	REAL300018526753	1	43	-1.0	-47.09	372.83	5.98	-41.11
CC1(C)OC2(CNCC3=NC(C4=CC=CC=C4)=CN3)CC1(C(=O)[O-])C2	REAL300018526761	1	47	-1.0	-50.08	375.28	6.47	-43.61
CC1(C)OC2(CNCC3=C(Cl)C=NC=C3Cl)CC1(C(=O)[O-])C2	REAL300018526780	1	39	-1.0	-43.75	340.29	5.14	-38.61
CC1(C)OC2(CNCC3=NC4=C(CCCC4)S3)CC1(C(=O)[O-])C2	REAL300018526781	1	46	-1.0	-46.28	365.35	5.83	-40.45
CC1(C)OC2(CNCC3=CC=NC=C3Br)CC1(C(=O)[O-])C2	REAL300018526782	1	39	-1.0	-45.59	330.00	4.87	-40.72
CC1(C)OC2(CNCC3=C(Cl)C=CC=C3OC(F)F)CC1(C(=O)[O-])C2	REAL300018526804	1	44	-1.0	-47.99	371.40	6.35	-41.64
CC(C)N1C=CN=C1CNCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526841	1	46	-1.0	-46.88	357.22	5.97	-40.91
CC1(C)OC2(CNCC3=NN(C4=CC=CC=C4)C=C3)CC1(C(=O)[O-])C2	REAL300018526847	1	47	-1.0	-49.58	375.25	7.26	-42.32
CC1(C)OC2(CNCC3=NN4CCCCC4=C3)CC1(C(=O)[O-])C2	REAL300018526850	1	47	-1.0	-48.39	360.95	5.48	-42.91
CC1(C)OC2(CNCC3=CN(C4=CC=C(F)C=C4)N=N3)CC1(C(=O)[O-])C2	REAL300018526859	1	46	-1.0	-51.36	376.14	5.98	-45.38
CN1C=C(CNCC23CC(C(=O)[O-])(C2)C(C)(C)O3)C([N+](=O)[O-])=N1	REAL300018526889	1	42	-1.0	-56.75	346.21	5.50	-51.25
CC1(C)OC2(CNCC3=NC(Cl)=CS3)CC1(C(=O)[O-])C2	REAL300018526890	1	36	-1.0	-46.95	318.12	3.71	-43.24
COC1=CC=CC(Cl)=C1CNCC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526894	1	44	-1.0	-47.15	361.65	6.08	-41.07
CC1(C)OC2(CNCC3=CN=C(C4CC4)O3)CC1(C(=O)[O-])C2	REAL300018526906	1	43	-1.0	-47.15	345.08	3.45	-43.70
CC1(C)OC2(CNCC3=CC=C(S(N)(=O)=O)O3)CC1(C(=O)[O-])C2	REAL300018526924	1	42	-1.0	-52.85	353.71	-0.72	-53.57
CC1(C)OC2(CNCC3=NC=C(Br)S3)CC1(C(=O)[O-])C2	REAL300018526940	1	36	-1.0	-45.05	322.84	4.02	-41.03
CC1(C)OC2(CNCC3=NN4CCCC4=C3)CC1(C(=O)[O-])C2	REAL300018526954	1	44	-1.0	-49.82	342.89	4.66	-45.16
CC1(C)OC2(CNCC3=NC=C(C(F)(F)F)S3)CC1(C(=O)[O-])C2	REAL300018526955	1	39	-1.0	-45.30	341.99	4.46	-40.84
CN(C)CC1=NC(CNCC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CS1	REAL300018526972	1	47	-1.0	-45.46	378.71	2.86	-42.60
CC1(C)OC2(CNCC3=C(F)C=NC=C3Br)CC1(C(=O)[O-])C2	REAL300018526991	1	39	-1.0	-44.16	335.07	4.91	-39.25
COC1=CC=C([C@@H]2CN(CC3=CN(CC4=CC=CN=C4)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300018534637	1	51	-1.0	-63.20	418.01	6.84	-56.36
COC1=CC=C([C@@H]2CN(CC3=NN(C)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300018534646	0	41	-1.0	-57.55	335.34	3.86	-53.69
COCC1=CC(CN2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NO1	REAL300018534649	1	46	-1.0	-56.09	377.25	5.55	-50.54
COC1=CC=C([C@@H]2CN(CC3=CN(C(C)C)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300018534652	1	48	-1.0	-60.67	382.08	6.15	-54.52
COC1=CC=C([C@@H]2CN(CC3=CN(C4=CC=CC=C4C)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300018534654	1	52	-1.0	-61.80	413.86	8.84	-52.96
CCN1N=CC(CN2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018534668	1	45	-1.0	-53.91	363.70	5.31	-48.60
COC1=CC=C([C@@H]2CN(CC3=CSN=N3)C[C@H]2C(=O)[O-])C=C1	REAL300018534690	0	38	-1.0	-56.92	323.29	4.67	-52.25
COC1=CC=C([C@@H]2CN(CC3=CN=CC(Br)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300018534726	1	42	-1.0	-48.68	358.75	6.92	-41.76
COC1=CC=C([C@@H]2CN(CC3=NC=C(Cl)S3)C[C@H]2C(=O)[O-])C=C1	REAL300018534728	0	39	-1.0	-51.18	346.63	6.16	-45.02
COC1=CC=C([C@@H]2CN(CC3=C(Cl)C=NN3C)C[C@H]2C(=O)[O-])C=C1	REAL300018534737	1	43	-1.0	-53.70	357.15	6.17	-47.53
COC1=CC=C([C@@H]2CN(CC3=CC=C(Br)O3)C[C@H]2C(=O)[O-])C=C1	REAL300018534748	1	40	-1.0	-47.27	340.86	6.92	-40.35
COC1=CC=C([C@@H]2CN(CC3=COC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300018534750	1	39	-1.0	-55.42	320.96	3.02	-52.40
COC1=CC=C([C@@H]2CN(CC3=CN(C(C)(C)C)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300018534754	1	51	-1.0	-61.07	401.77	6.72	-54.35
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=CC(Cl)=C3[O-])C[C@H]2C(=O)[O-])C=C1	REAL300018534763	0	44	-1.0	-69.89	370.99	9.52	-60.37
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=CC(Cl)=C3[O-])C[C@H]2C(=O)[O-])C=C1	REAL300018534763	1	44	-1.0	-55.14	371.41	9.42	-45.72
COC1=CC=C([C@@H]2C[N@H+](CC3=CC(Cl)=CC(F)=C3[O-])C[C@H]2C(=O)[O-])C=C1	REAL300018534764	0	44	-1.0	-71.47	377.58	9.53	-61.94
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC(Cl)=CC(F)=C3[O-])C[C@H]2C(=O)[O-])C=C1	REAL300018534764	1	44	-1.0	-55.86	377.96	9.43	-46.43
COC1=CC=C([C@@H]2CN(CC3=NN(C(F)F)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300018534765	1	43	-1.0	-51.51	353.59	5.90	-45.61
COC1=CC=C([C@@H]2CN(CC3=C(Br)C=NN3C)C[C@H]2C(=O)[O-])C=C1	REAL300018534784	1	43	-1.0	-53.64	360.86	6.24	-47.40
COC1=CC=C([C@@H]2CN(CC3=NC=C(Cl)N3C)C[C@H]2C(=O)[O-])C=C1	REAL300018534802	0	43	-1.0	-49.13	350.76	6.36	-42.77
COC1=CC=C([C@@H]2CN(CC3=NC=CN3C)C[C@H]2C(=O)[O-])C=C1	REAL300018534811	1	43	-1.0	-57.62	345.41	6.79	-50.83
COC1=CC=C([C@@H]2CN(CC3=CN(C)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300018534816	1	42	-1.0	-59.32	342.39	4.91	-54.41
CCN1N=C(C)C(CN2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018534830	1	48	-1.0	-50.77	372.14	5.40	-45.37
COC1=CC=C([C@@H]2CN(CC3=CN(CC4CCCO4)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300018534872	1	53	-1.0	-60.20	420.61	5.99	-54.21
CCCN1C=C(CN2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300018534873	1	48	-1.0	-60.85	384.73	6.38	-54.47
COC1=CC=C([C@@H]2CN(CC3=CC(Br)=NN3C)C[C@H]2C(=O)[O-])C=C1	REAL300018534877	1	43	-1.0	-48.86	354.10	5.90	-42.96
COC1=CC=C([C@@H]2CN(CC3=NC=NN3C(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300018534881	1	48	-1.0	-48.77	366.96	7.27	-41.50
COC1=CC=C([C@@H]2CN(CC3=CC(C(F)(F)F)=NN3C)C[C@H]2C(=O)[O-])C=C1	REAL300018534883	1	46	-1.0	-49.10	373.56	6.38	-42.72
COC1=CC=C([C@@H]2CN(CC3=CC=C(S(N)(=O)=O)S3)C[C@H]2C(=O)[O-])C=C1	REAL300018534884	1	45	-1.0	-58.99	391.72	2.52	-56.47
COC1=CC=C([C@@H]2CN(CC3=C(C(F)(F)F)C=NN3C)C[C@H]2C(=O)[O-])C=C1	REAL300018534928	1	46	-1.0	-52.71	378.44	6.63	-46.08
COC1=CC=C([C@@H]2CN(CC3=NC=C(CSC)S3)C[C@H]2C(=O)[O-])C=C1	REAL300018534933	1	46	-1.0	-50.29	389.66	7.29	-43.00
COC1=CC=C([C@@H]2CN(CC3=NN(C)N=C3)C[C@H]2C(=O)[O-])C=C1	REAL300018534934	1	42	-1.0	-56.30	342.54	4.62	-51.68
COC1=CC=C([C@@H]2CN(CC3=CN(C4CCC4)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300018534987	1	49	-1.0	-60.71	387.20	6.74	-53.97
COC1=CC=C([C@@H]2CN(CC3=NN(C(C)(C)C)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300018534988	0	50	-1.0	-56.00	398.69	5.85	-50.15
C=CCCN1C=C(CN2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300018534989	1	49	-1.0	-60.30	397.57	6.93	-53.37
CC1=C(CNCC2=CC(Cl)=CC=C2[N+](=O)[O-])C=C(C(=O)[O-])S1	REAL300018536107	1	34	-1.0	-55.78	324.70	8.38	-47.40
COC1=CC=C(CNCC2=C(C)SC(C(=O)[O-])=C2)C(Cl)=C1OC	REAL300018536111	1	40	-1.0	-55.36	362.77	7.07	-48.29
CC1=C(CNCC2=CSC([N+](=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300018536118	0	31	-1.0	-52.47	308.03	7.11	-45.36
COC1=CC=C(Br)C(CNCC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536122	1	36	-1.0	-50.45	335.45	7.17	-43.28
COC1=CC=C(CNCC2=C(C)SC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300018536123	1	38	-1.0	-63.23	342.14	8.03	-55.20
CC1=C(CNCC2=CC=C(F)C=C2Br)C=C(C(=O)[O-])S1	REAL300018536130	1	32	-1.0	-51.52	310.86	7.90	-43.62
CC1=C(CNCC2=CC=C(S(C)(=O)=O)C=C2)C=C(C(=O)[O-])S1	REAL300018536134	1	38	-1.0	-59.06	348.68	4.83	-54.23
CC1=C(CNCC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)C=C(C(=O)[O-])S1	REAL300018536140	1	42	-1.0	-54.19	385.90	10.19	-44.00
CC1=C(CNCC2=NC3=CC=CC=C3N2C)C=C(C(=O)[O-])S1	REAL300018536142	0	38	-1.0	-58.49	335.33	7.61	-50.88
CC1=C(CNCC2=CSC(Br)=C2)C=C(C(=O)[O-])S1	REAL300018536144	1	29	-1.0	-51.84	297.45	6.96	-44.88
CC1=C(CNCC2=CC=CC=C2OCC2=CC=NC=C2)C=C(C(=O)[O-])S1	REAL300018536146	1	45	-1.0	-54.84	392.96	8.86	-45.98
CC1=C(CNCC2=CC=CC=C2OCC2=CC=CN=C2)C=C(C(=O)[O-])S1	REAL300018536148	1	45	-1.0	-52.78	392.91	8.85	-43.93
CC1=C(CNCC2=CC=CC(NS(C)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300018536150	1	40	-1.0	-59.02	360.20	4.00	-55.02
CC1=C(CNCC2=CC=CC3=C2OC(F)(F)O3)C=C(C(=O)[O-])S1	REAL300018536153	1	35	-1.0	-60.04	325.42	6.36	-53.68
CC1=NN(C)C(N2CCOCC2)=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536160	1	48	-1.0	-52.46	387.90	5.20	-47.26
CC1=C(CNCC2=CN(C3=CC=C(F)C=C3)N=C2)C=C(C(=O)[O-])S1	REAL300018536166	1	39	-1.0	-56.62	351.86	8.57	-48.05
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536167	1	45	-1.0	-52.59	400.06	9.89	-42.70
CC1=C(CNCC2=CN(C3=CC=C(Cl)C=C3)N=C2)C=C(C(=O)[O-])S1	REAL300018536168	1	39	-1.0	-56.19	362.18	9.02	-47.17
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536169	1	45	-1.0	-59.18	397.59	9.64	-49.54
CC1=C(CNCC2=CN(C(C)(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300018536170	1	41	-1.0	-55.93	349.38	7.11	-48.82
CC1=C(CNCC2=CC(Cl)=CC=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300018536176	1	36	-1.0	-50.99	342.81	7.43	-43.56
CC1=C(CNCC2=CN=C(N3CCCC3)N=C2)C=C(C(=O)[O-])S1	REAL300018536181	1	42	-1.0	-56.27	354.82	7.15	-49.12
CC1=C(CNCC2=CN(C)N=C2C(C)C)C=C(C(=O)[O-])S1	REAL300018536185	1	41	-1.0	-55.82	351.01	6.91	-48.91
CC1=C(CNCC2=CSC(C3=CC=CC=N3)=N2)C=C(C(=O)[O-])S1	REAL300018536192	0	37	-1.0	-56.49	346.06	6.20	-50.29
CC1=C(CNCC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C=C(C(=O)[O-])S1	REAL300018536193	0	40	-1.0	-62.04	351.99	7.18	-54.86
CC1=C(CNCC2=NC3=CC=CC=C3N2C(C)C)C=C(C(=O)[O-])S1	REAL300018536194	0	44	-1.0	-57.75	370.29	8.84	-48.91
COC1=NC=C(Br)C=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536195	0	35	-1.0	-53.51	333.19	4.62	-48.89
CC1=C(CNCC2=CC=C(Br)C=N2)C=C(C(=O)[O-])S1	REAL300018536196	1	31	-1.0	-49.69	305.21	6.03	-43.66
CC1=C(CNCC2=CN=C(N3CCOCC3)S2)C=C(C(=O)[O-])S1	REAL300018536197	1	41	-1.0	-52.81	362.61	4.57	-48.24
CC1=C(CNCC2=CC=CC3=C2OCCO3)C=C(C(=O)[O-])S1	REAL300018536200	1	38	-1.0	-55.75	329.15	6.46	-49.29
CC1=C(CNCC2=CC=CC3=C2OCCCO3)C=C(C(=O)[O-])S1	REAL300018536201	1	41	-1.0	-54.73	347.61	7.24	-47.49
CC1=C(CNCC2=CN=C(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])S1	REAL300018536205	1	40	-1.0	-54.64	357.15	8.59	-46.05
CC1=C(CNCC2=CN=C(N3CCOCC3)N=C2)C=C(C(=O)[O-])S1	REAL300018536206	1	43	-1.0	-55.83	363.95	5.65	-50.18
CCCN1C2=CC=CC=C2N=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536207	0	44	-1.0	-57.79	376.45	9.19	-48.60
CC1=C(CNCC2=CN=C3C=CC=CN23)C=C(C(=O)[O-])S1	REAL300018536217	1	35	-1.0	-56.81	315.76	7.69	-49.12
CC1=C(CNCC2=CN=C(N(C)C)S2)C=C(C(=O)[O-])S1	REAL300018536218	1	36	-1.0	-53.27	330.53	6.17	-47.10
CC1=C(CNCC2=CSC(C3=CC=C(C)C=C3)=N2)C=C(C(=O)[O-])S1	REAL300018536221	0	41	-1.0	-52.93	372.87	8.76	-44.17
CC1=C(CNCC2=CSC(C(C)C)=N2)C=C(C(=O)[O-])S1	REAL300018536222	0	37	-1.0	-50.41	335.75	6.33	-44.08
CC1=C(CNCC2=CSC(C3CC3)=N2)C=C(C(=O)[O-])S1	REAL300018536223	0	35	-1.0	-50.84	325.37	6.48	-44.36
CC1=C(CNCC2=CSC(COC3=CC=CC=C3)=N2)C=C(C(=O)[O-])S1	REAL300018536225	0	42	-1.0	-54.55	383.05	7.59	-46.96
CC1=C(CNCC2=CSC(COC3=CC=C(C)C=C3)=N2)C=C(C(=O)[O-])S1	REAL300018536234	0	45	-1.0	-53.75	405.83	8.28	-45.47
CC1=C(CNCC2=CSC(C(C)(C)C)=N2)C=C(C(=O)[O-])S1	REAL300018536236	0	40	-1.0	-51.51	353.32	6.83	-44.68
CC1=C(CNCC2=CSC(C3=CSC=C3)=N2)C=C(C(=O)[O-])S1	REAL300018536237	0	35	-1.0	-52.21	342.50	7.02	-45.19
CC1=C(CNCC2=CC=CC=C2OC2CCCC2)C=C(C(=O)[O-])S1	REAL300018536241	1	46	-1.0	-51.59	381.87	9.56	-42.03
CC1=C(CNCC2=CN3C=C(Cl)C=CC3=N2)C=C(C(=O)[O-])S1	REAL300018536242	0	35	-1.0	-53.85	330.31	8.30	-45.55
CC1=C(CNCC2=CN=C(C(C)(C)C)S2)C=C(C(=O)[O-])S1	REAL300018536243	1	40	-1.0	-51.39	355.76	7.04	-44.35
COC1=CC=C(OCC2=CC=CC=N2)C(CNCC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536245	1	49	-1.0	-55.36	418.24	8.17	-47.19
CC1=C(CNCC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300018536247	0	38	-1.0	-52.55	354.29	7.58	-44.97
COC1=C(Cl)C=C(Cl)C=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536248	1	36	-1.0	-53.65	348.43	7.69	-45.96
CC1=C(CNCC2=CC(C3=CC=CC=C3)=NN2)C=C(C(=O)[O-])S1	REAL300018536262	1	39	-1.0	-55.99	346.01	7.21	-48.78
CCOC1=CC=C([N+](=O)[O-])C=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536263	0	41	-1.0	-52.36	366.39	8.23	-44.13
CC1=NN(C)C(OCC(F)(F)F)=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536264	0	42	-1.0	-56.02	385.40	5.82	-50.20
CC1=C(CNCC2=CN(C3=CC=CC=C3)N=N2)C=C(C(=O)[O-])S1	REAL300018536266	0	38	-1.0	-56.16	338.71	7.09	-49.07
CC1=C(CNCC2=NC(C3=CC=CC=C3)=CS2)C=C(C(=O)[O-])S1	REAL300018536267	0	38	-1.0	-54.77	351.09	8.07	-46.70
CCN1N=C(C)C(CNCC2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300018536268	1	41	-1.0	-54.31	352.62	6.91	-47.40
COC1=CC(CNCC2=C(C)SC(C(=O)[O-])=C2)=C2OC(C)CC2=C1	REAL300018536274	1	44	-1.0	-53.73	374.42	7.16	-46.57
CC1=C(CNCC2=NN(C)C3=CC=CC=C23)C=C(C(=O)[O-])S1	REAL300018536275	0	38	-1.0	-54.84	336.57	7.21	-47.63
CC1=C(CNCC2=NC=CN2CC(F)(F)F)C=C(C(=O)[O-])S1	REAL300018536278	0	35	-1.0	-52.65	326.12	6.76	-45.89
CC1=C(CNCC2=CSC(C3=CC=C4OCOC4=C3)=N2)C=C(C(=O)[O-])S1	REAL300018536281	0	41	-1.0	-52.90	378.88	6.77	-46.13
CC1=C(CNCC2=COC(C3=CC=CC=C3)=N2)C=C(C(=O)[O-])S1	REAL300018536283	0	38	-1.0	-53.75	345.58	5.69	-48.06
CC1=C(CNCC2=CSC(C3=CC=CS3)=N2)C=C(C(=O)[O-])S1	REAL300018536284	0	35	-1.0	-52.78	342.27	7.10	-45.68
CC1=C(CNCC2=CC=C(Br)C=C2Cl)C=C(C(=O)[O-])S1	REAL300018536287	1	32	-1.0	-51.03	322.16	8.36	-42.67
CC1=C(CNCC2=CN=C(N(C)C)N2C)C=C(C(=O)[O-])S1	REAL300018536289	1	40	-1.0	-54.14	347.53	6.33	-47.81
CC1=C(CNCC2=NC(C3=CC=CC=C3)=CN2)C=C(C(=O)[O-])S1	REAL300018536290	0	39	-1.0	-55.32	344.72	7.59	-47.73
CC1=C(CNCC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)C=C(C(=O)[O-])S1	REAL300018536295	0	40	-1.0	-55.49	379.66	8.75	-46.74
COC1=CC2=C(C=C1CNCC1=C(C)SC(C(=O)[O-])=C1)OCO2	REAL300018536300	1	39	-1.0	-52.67	342.33	5.29	-47.38
COC1=CC(Cl)=C(CNCC2=C(C)SC(C(=O)[O-])=C2)C=C1OC	REAL300018536301	1	40	-1.0	-51.80	361.11	6.95	-44.85
CC1=C(CNCC2=CC=CC=C2OCC(C)C)C=C(C(=O)[O-])S1	REAL300018536307	1	45	-1.0	-51.55	379.78	9.07	-42.48
CC1=C(CNCC2=CC=CC3=C2OC(C)(C)C3)C=C(C(=O)[O-])S1	REAL300018536308	1	43	-1.0	-55.90	363.14	8.48	-47.42
CC1=C(CNCC2=C(Cl)C=NC=C2Cl)C=C(C(=O)[O-])S1	REAL300018536309	0	31	-1.0	-49.29	311.44	6.35	-42.94
CC1=C(CNCC2=NC3=C(CCCC3)S2)C=C(C(=O)[O-])S1	REAL300018536310	0	38	-1.0	-55.50	334.32	7.02	-48.48
CC1=C(CNCC2=CC=NC=C2Br)C=C(C(=O)[O-])S1	REAL300018536311	0	31	-1.0	-49.81	301.63	6.08	-43.73
CC1=C(CNCC2=CC(F)=CC(Br)=C2)C=C(C(=O)[O-])S1	REAL300018536313	1	32	-1.0	-49.61	315.71	7.98	-41.63
CC1=C(CNCC2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C=C(C(=O)[O-])S1	REAL300018536317	1	37	-1.0	-58.45	347.04	8.89	-49.56
CC1=C(CNCC2=CC3=CC(Br)=CC=C3O2)C=C(C(=O)[O-])S1	REAL300018536322	1	35	-1.0	-51.09	337.16	8.44	-42.65
COC1=CC(F)=CC(CNCC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536324	1	36	-1.0	-50.87	323.91	6.67	-44.20
CC1=C(CNCC2=CN=C(C(C)(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300018536325	1	42	-1.0	-54.11	357.42	7.23	-46.88
CC1=C(CNCC2=CC=C(C)C=C2Cl)C=C(C(=O)[O-])S1	REAL300018536327	1	35	-1.0	-51.56	322.28	8.41	-43.15
COC1=CC=C(OC(F)F)C(CNCC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536328	1	40	-1.0	-52.72	355.55	6.19	-46.53
CC1=C(CNCC2=C(Cl)C=CC=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300018536329	0	36	-1.0	-52.78	339.96	7.34	-45.44
CC1=C(CNCC2=CC=C([N+](=O)[O-])C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300018536330	1	34	-1.0	-57.29	327.29	8.33	-48.96
CC1=C(CNCC2=C(Cl)C=CC3=CC=CN=C32)C=C(C(=O)[O-])S1	REAL300018536338	1	37	-1.0	-55.74	340.37	8.21	-47.53
CC1=C(CNCC2=CC=C([N+](=O)[O-])C=C2Cl)C=C(C(=O)[O-])S1	REAL300018536343	0	34	-1.0	-54.31	329.09	8.42	-45.89
CC1=C(CNCC2=CC=C(C3=C(F)C=CC=C3F)O2)C=C(C(=O)[O-])S1	REAL300018536345	1	39	-1.0	-57.09	360.54	9.33	-47.76
CC1=C(CNCC2=CC=C(C3=CC=C(F)C=C3C)O2)C=C(C(=O)[O-])S1	REAL300018536346	1	42	-1.0	-50.89	375.18	9.94	-40.95
CCC1=CC=C(C2=CC=C(CNCC3=C(C)SC(C(=O)[O-])=C3)O2)C=C1	REAL300018536347	1	45	-1.0	-53.21	388.94	10.60	-42.61
COC1=CC=C(CNCC2=C(C)SC(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300018536348	1	40	-1.0	-55.02	355.53	6.21	-48.81
COC1=CC(C)=CC=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536358	1	39	-1.0	-51.70	337.72	7.32	-44.38
CC1=C(CNCC2=CC(Cl)=CC(Cl)=C2N)C=C(C(=O)[O-])S1	REAL300018536360	1	34	-1.0	-49.07	329.93	6.38	-42.69
COC1=CC=CC(C)=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536367	1	39	-1.0	-51.83	333.78	7.20	-44.63
CC1=C(CNCC2=NN(C3=CC=CC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300018536369	0	39	-1.0	-55.33	344.69	8.39	-46.94
CC1=C(CNCC2=CN=C(C(F)(F)F)S2)C=C(C(=O)[O-])S1	REAL300018536370	1	31	-1.0	-51.40	314.06	5.71	-45.69
CC1=C(CNCC2=NN3CCCCC3=C2)C=C(C(=O)[O-])S1	REAL300018536371	0	39	-1.0	-54.50	330.39	6.60	-47.90
CC1=C(CNCC2=CC3=C(C=N2)OCCO3)C=C(C(=O)[O-])S1	REAL300018536373	0	37	-1.0	-54.43	325.27	4.63	-49.80
CC1=C(CNCC2=CN=C3C=CC(Cl)=CN23)C=C(C(=O)[O-])S1	REAL300018536374	1	35	-1.0	-55.62	330.17	8.23	-47.39
CC1=C(CNCC2=CN=C3C(C)=CC=CN23)C=C(C(=O)[O-])S1	REAL300018536375	1	38	-1.0	-59.14	334.90	8.32	-50.82
CC1=C(CNCC2=CN=C(Br)N2C)C=C(C(=O)[O-])S1	REAL300018536376	1	32	-1.0	-53.94	309.54	6.15	-47.79
CC1=C(CNCC2=CN(C3=CC=C(F)C=C3)N=N2)C=C(C(=O)[O-])S1	REAL300018536377	0	38	-1.0	-54.91	345.12	7.16	-47.75
CC1=C(CNCC2=CC(C(F)(F)F)=NN2)C=C(C(=O)[O-])S1	REAL300018536378	1	32	-1.0	-52.68	309.98	4.59	-48.09
CCOC1=CC=CC(CNCC2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300018536381	1	38	-1.0	-52.19	334.86	4.86	-47.33
CC1=C(CNCC2=CN=C3C=CC=C(C)N23)C=C(C(=O)[O-])S1	REAL300018536384	1	38	-1.0	-59.68	321.61	8.02	-51.66
COC1=C(C)C=NC(CNCC2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300018536391	1	41	-1.0	-52.83	350.46	6.11	-46.72
COC1=CC2=CC=CC=C2C=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536392	1	42	-1.0	-55.34	360.04	8.88	-46.46
CC1=C(CNCC2=CC=C(S(C)(=O)=O)S2)C=C(C(=O)[O-])S1	REAL300018536394	1	35	-1.0	-58.45	342.00	3.94	-54.51
CC1=C(CNCC2=C3N=CC(Br)=CN3N=C2)C=C(C(=O)[O-])S1	REAL300018536395	1	34	-1.0	-54.58	332.82	6.80	-47.78
CC1=C(CNCC2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)C=C(C(=O)[O-])S1	REAL300018536396	1	51	-1.0	-52.87	422.16	11.48	-41.39
CCC(C)CN(C)C1=CC=C(F)C=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536398	1	52	-1.0	-51.64	412.65	10.96	-40.68
CCCCCN(C)C1=CC=C(F)C=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536399	1	52	-1.0	-52.08	428.74	10.23	-41.85
CC1=C(CNCC2=CC3=CC(Cl)=CN=C3O2)C=C(C(=O)[O-])S1	REAL300018536401	1	34	-1.0	-52.62	327.40	5.28	-47.34
CC1=C(CNCC2=CN(C)N=C2[N+](=O)[O-])C=C(C(=O)[O-])S1	REAL300018536403	0	34	-1.0	-67.98	315.65	6.63	-61.35
CC1=C(CNCC2=NC(Cl)=CS2)C=C(C(=O)[O-])S1	REAL300018536404	0	28	-1.0	-53.29	290.68	4.82	-48.47
CC1=C(CNCC2=CN=C3C=CC(Br)=CN23)C=C(C(=O)[O-])S1	REAL300018536405	1	35	-1.0	-55.56	334.73	8.33	-47.23
CC1=C(CNCC2=NC=CC3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300018536406	1	37	-1.0	-54.54	325.73	7.59	-46.95
COC1=CC=CC(Cl)=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536407	0	36	-1.0	-51.86	330.22	7.07	-44.79
CC1=NC=C(CNCC2=C(C)SC(C(=O)[O-])=C2)N1C1=CC=CC=C1	REAL300018536408	1	42	-1.0	-55.75	364.83	9.55	-46.20
CCCN1N=C(C)C(CNCC2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300018536410	1	44	-1.0	-54.05	374.12	7.65	-46.40
COC1=CC(CNCC2=C(C)SC(C(=O)[O-])=C2)=C(SC)C=C1OC	REAL300018536413	1	44	-1.0	-54.26	382.47	7.44	-46.82
CC1=C(CNCC2=CC(F)=CC=C2OC(C)C)C=C(C(=O)[O-])S1	REAL300018536418	1	42	-1.0	-50.48	362.52	8.25	-42.23
CC1=C(CNCC2=NC3=CC=C(F)C=C3S2)C=C(C(=O)[O-])S1	REAL300018536419	0	34	-1.0	-52.63	327.00	6.77	-45.86
CC1=C(CNCC2=CC(F)=CC=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300018536420	1	36	-1.0	-51.27	332.48	6.99	-44.28
CCOC1=CN=CC(CNCC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536422	1	38	-1.0	-54.21	332.08	5.68	-48.53
CCOC1=CC(F)=CC(CNCC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536423	1	39	-1.0	-50.97	345.77	7.59	-43.38
CC1=C(CNCC2=CC(C3CC3)=NN2C)C=C(C(=O)[O-])S1	REAL300018536425	1	39	-1.0	-55.98	338.93	6.95	-49.03
CC1=C(CNCC2=CC=NN2CC2CC2)C=C(C(=O)[O-])S1	REAL300018536431	1	39	-1.0	-58.67	339.10	7.21	-51.46
CC1=C(CNCC2=CC=C(S(N)(=O)=O)O2)C=C(C(=O)[O-])S1	REAL300018536434	0	34	-1.0	-58.98	323.21	0.40	-58.58
COC1=CN=CC(CNCC2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300018536437	1	38	-1.0	-53.92	326.67	5.33	-48.59
CC1=C(CNCC2=CC=CC(Cl)=C2N)C=C(C(=O)[O-])S1	REAL300018536438	1	34	-1.0	-51.79	312.05	5.78	-46.01
CC1=C(CNCC2=CC3=CN=CC=C3O2)C=C(C(=O)[O-])S1	REAL300018536440	1	34	-1.0	-52.56	310.60	6.10	-46.46
CC1=C(CNCC2=CSC(C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300018536443	1	32	-1.0	-53.00	316.42	7.42	-45.58
CC1=C(CNCC2=CC=C(C(F)F)N=C2)C=C(C(=O)[O-])S1	REAL300018536447	1	34	-1.0	-51.57	317.41	6.39	-45.18
CC1=C(CNCC2=NC=C(Br)S2)C=C(C(=O)[O-])S1	REAL300018536449	0	28	-1.0	-51.08	295.40	5.13	-45.95
CC1=C(CNCC2=CN(C)N=C2C(F)F)C=C(C(=O)[O-])S1	REAL300018536451	1	35	-1.0	-56.88	320.25	5.98	-50.90
CC1=C(CNC(C)C2=CC=C(C3=CC=CC=C3)C=N2)C=C(C(=O)[O-])S1	REAL300018536452	1	44	-1.0	-54.13	375.13	9.83	-44.30
CC1=C(CNCC2=CC=CC(S(N)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300018536457	1	37	-1.0	-62.47	340.79	2.24	-60.23
CC1=C(CNCC2=NC=C(C(F)(F)F)S2)C=C(C(=O)[O-])S1	REAL300018536459	0	31	-1.0	-51.20	313.62	5.62	-45.58
CC1=C(CNCC2=CC=CC(F)=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300018536460	1	36	-1.0	-57.37	330.42	6.96	-50.41
CC1=C(CNCC2=CC3=CC=CN=C3O2)C=C(C(=O)[O-])S1	REAL300018536463	1	34	-1.0	-55.44	310.64	4.78	-50.66
CC1=C(CNCC2=CC3=CC(F)=CC=C3O2)C=C(C(=O)[O-])S1	REAL300018536468	1	35	-1.0	-51.58	322.28	7.90	-43.68
CC1=C(CNCC2=CC3=C(C=C2OC(F)F)OCO3)C=C(C(=O)[O-])S1	REAL300018536470	1	39	-1.0	-54.68	352.04	5.58	-49.10
COC1=CC=C(CNCC2=C(C)SC(C(=O)[O-])=C2)C(Br)=C1	REAL300018536471	1	36	-1.0	-51.98	333.94	7.13	-44.85
CC1=NN(C2=CC=C(Cl)C=C2)C=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536473	1	42	-1.0	-55.92	381.76	9.53	-46.39
CC1=C(CNCC2=CSC(CN(C)C)=N2)C=C(C(=O)[O-])S1	REAL300018536474	0	39	-1.0	-51.71	349.17	3.97	-47.74
CC1=C(CNCC2=C(OC(F)F)C=C(C)C(C)=C2)C=C(C(=O)[O-])S1	REAL300018536476	1	42	-1.0	-55.05	363.07	8.12	-46.93
CC1=C(CNCC2=CC(Cl)=CC(Cl)=C2[N+](=O)[O-])C=C(C(=O)[O-])S1	REAL300018536480	0	34	-1.0	-56.36	347.22	9.21	-47.15
COC1=CC=C(N2C=C(CNCC3=C(C)SC(C(=O)[O-])=C3)C=N2)C=C1	REAL300018536488	1	43	-1.0	-55.69	376.31	7.82	-47.87
CC1=NN(C2=CC=CC=C2Cl)C=C1CNCC1=C(C)SC(C(=O)[O-])=C1	REAL300018536492	1	42	-1.0	-59.05	377.15	9.70	-49.35
CC1=C(CNCC2=C(F)C=NC=C2Br)C=C(C(=O)[O-])S1	REAL300018536494	0	31	-1.0	-50.82	304.53	6.03	-44.79
CC1=C(CNCC2=CC(C3=CC=CC=N3)=NN2)C=C(C(=O)[O-])S1	REAL300018536498	1	38	-1.0	-55.56	345.10	5.49	-50.07
CC1=C(CNCC2=C(Cl)C=CC=C2SC(C)C)C=C(C(=O)[O-])S1	REAL300018536501	1	42	-1.0	-51.04	377.21	10.00	-41.04
CC1=C(CNCC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)C=C(C(=O)[O-])S1	REAL300018536509	0	45	-1.0	-60.09	379.71	9.16	-50.93
CC1=C(CNCC2=NC3=CC(C(F)(F)F)=CC=C3N2C)C=C(C(=O)[O-])S1	REAL300018536510	0	41	-1.0	-53.62	374.76	8.63	-44.99
CC1=C(CNCC2=NC3=C(CC(C)CC3)S2)C=C(C(=O)[O-])S1	REAL300018536512	0	41	-1.0	-55.19	355.12	7.63	-47.56
CC1=C(CNCC2=NOC(C3CCC3)=C2)C=C(C(=O)[O-])S1	REAL300018536520	0	38	-1.0	-50.88	334.06	7.51	-43.37
CC1=C(CNCC2=NOC(C3(C)CC3)=C2)C=C(C(=O)[O-])S1	REAL300018536521	0	38	-1.0	-50.94	335.57	7.46	-43.48
CC1=C(CNCC2=CN=C3CCCCCN23)C=C(C(=O)[O-])S1	REAL300018536524	1	42	-1.0	-55.00	344.93	7.65	-47.35
CC1=C(CNCC2=CC(C3=CC=CC=C3)=NO2)C=C(C(=O)[O-])S1	REAL300018536526	1	38	-1.0	-53.67	343.88	8.41	-45.26
CCOC1=CC(CNCC2=C(C)SC(C(=O)[O-])=C2)=CC=N1	REAL300018536532	1	38	-1.0	-53.00	335.56	4.93	-48.07
CC1=C(CNCC2=CN=C(C3CCOCC3)O2)C=C(C(=O)[O-])S1	REAL300018536538	0	42	-1.0	-53.35	361.19	3.71	-49.64
CC1=C(CNCC2=C(C)C(C(F)(F)F)=NN2)C=C(C(=O)[O-])S1	REAL300018536542	1	35	-1.0	-52.50	326.86	5.21	-47.29
CC1=C(CNCC2=NC(C3CC3)=CS2)C=C(C(=O)[O-])S1	REAL300018536543	0	35	-1.0	-55.71	322.26	6.50	-49.21
CC1=C(CNCC2=CN(CC3CC3)N=N2)C=C(C(=O)[O-])S1	REAL300018536544	0	38	-1.0	-54.80	338.45	6.15	-48.65
CC1=C(CNCC2=NC3=C(CCCC3)N2)C=C(C(=O)[O-])S1	REAL300018536546	0	39	-1.0	-53.04	330.94	6.39	-46.65
CC1=C(CNCC2=CN(C)N=C2C2CCOCC2)C=C(C(=O)[O-])S1	REAL300018536549	1	46	-1.0	-54.35	385.77	6.44	-47.91
CC1=C(CNCC2=CC=NN2C(C)(C)C)C=C(C(=O)[O-])S1	REAL300018536553	1	41	-1.0	-52.95	334.83	7.25	-45.70
CC1=C(CNCC2=C(C(C)C)C=NN2C)C=C(C(=O)[O-])S1	REAL300018536555	1	41	-1.0	-53.61	348.77	6.78	-46.83
CC1=C(CNCC2=CC=C(OC(F)(F)F)C=C2F)C=C(C(=O)[O-])S1	REAL300018536560	1	36	-1.0	-53.16	339.54	7.11	-46.05
CC1=C(CNCC2=C(C)C3=CC(F)=CC=C3O2)C=C(C(=O)[O-])S1	REAL300018536566	1	38	-1.0	-52.86	340.49	8.49	-44.37
CC1=C(CNCC2=CC(C3=CC=CC=C3)=NN2C)C=C(C(=O)[O-])S1	REAL300018536568	1	42	-1.0	-55.42	368.99	8.39	-47.03
CC1=C(CNCC2=CN=CC(C(C)(C)C)=C2)C=C(C(=O)[O-])S1	REAL300018536569	1	43	-1.0	-53.54	357.20	7.77	-45.77
CC1=C(CNCC2=NN(CC(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300018536571	0	35	-1.0	-54.85	330.27	6.37	-48.48
CC1=C(CNCC2=NC3=C(CCCC3)N2C)C=C(C(=O)[O-])S1	REAL300018536572	0	42	-1.0	-57.33	351.64	7.93	-49.40
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CC1=C(CNCC2=CN(C3=CC=CC(F)=C3)N=C2)C=C(C(=O)[O-])S1	REAL300018536635	1	39	-1.0	-53.53	353.23	8.59	-44.94
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O=C([O-])C(CC1=CC=CS1)NCC1=NC2=CC(Br)=CC=C2O1	REAL300018536941	0	34	-1.0	-46.87	328.88	5.30	-41.57
COC1=CC=C(CN2C=C(CNC(CC3=CC=CS3)C(=O)[O-])N=N2)C=C1	REAL300018536946	0	45	-1.0	-62.55	393.18	7.28	-55.27
O=C([O-])C(CC1=CC=CS1)NCC1=NC2=C(CCC2)S1	REAL300018536947	0	35	-1.0	-48.49	315.90	6.85	-41.64
CC1=C(C)C=C2OC(CNC(CC3=CC=CS3)C(=O)[O-])=CC2=C1	REAL300018536956	1	41	-1.0	-49.71	351.60	9.36	-40.35
CCC1=C2OC(CNC(CC3=CC=CS3)C(=O)[O-])=CC2=CC=C1	REAL300018536959	1	41	-1.0	-49.46	355.95	9.65	-39.81
O=C([O-])C(CC1=CC=CS1)NCC1=CN(CC2CCCO2)N=N1	REAL300018536965	1	42	-1.0	-62.23	360.52	5.21	-57.02
O=C([O-])C(CC1=CC=CS1)NCC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300018536966	1	38	-1.0	-58.78	361.69	8.28	-50.50
O=C([O-])C(CC1=CC=CS1)NCC1=CN(C2=CC=C(Cl)C=C2Cl)N=N1	REAL300018536967	1	38	-1.0	-58.87	372.03	8.71	-50.16
CC1=CC=NC(CNC(CC2=CC=CS2)C(=O)[O-])=C1Br	REAL300018536999	0	34	-1.0	-45.35	319.03	6.86	-38.49
CC(C)(C)O[C@@H]1C[C@H](NCC2=CSC(C3=CC=CC=N3)=N2)[C@H]1CC(=O)[O-]	REAL300018555569	1	50	-1.0	-64.13	416.57	6.53	-57.60
CC(C)C1=NC(CN[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CS1	REAL300018555601	1	50	-1.0	-56.23	404.07	6.64	-49.59
CC(C)(C)O[C@@H]1C[C@H](NCC2=CSC(C3CC3)=N2)[C@H]1CC(=O)[O-]	REAL300018555602	1	48	-1.0	-56.69	392.78	6.83	-49.86
CCC1=NC(CN[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CS1	REAL300018555603	1	47	-1.0	-56.11	384.35	6.07	-50.04
CC(C)(C)O[C@@H]1C[C@H](NCC2=CSC(C(C)(C)C)=N2)[C@H]1CC(=O)[O-]	REAL300018555610	1	53	-1.0	-56.18	423.00	7.15	-49.03
CC(C)(C)O[C@@H]1C[C@H](NCC2=CN(C3=CC=CC=C3)N=N2)[C@H]1CC(=O)[O-]	REAL300018555636	1	51	-1.0	-59.76	409.53	7.43	-52.33
CC(C)(C)O[C@@H]1C[C@H](NCC2=NC=CN2CC(F)(F)F)[C@H]1CC(=O)[O-]	REAL300018555648	1	48	-1.0	-55.09	394.05	7.11	-47.98
CC(C)(C)O[C@@H]1C[C@H](NCC2=COC(C3=CC=CC=C3)=N2)[C@H]1CC(=O)[O-]	REAL300018555653	1	51	-1.0	-60.02	412.76	6.04	-53.98
CC(C)(C)O[C@@H]1C[C@H](NCC2=C(Cl)C=NC=C2Cl)[C@H]1CC(=O)[O-]	REAL300018555684	1	44	-1.0	-51.43	379.76	6.65	-44.78
CCN1N=CN=C1CN[C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555774	1	47	-1.0	-53.66	373.51	6.73	-46.93
CC(C)(C)O[C@@H]1C[C@H](NCC2=CN(C3=CC=C(F)C=C3)N=N2)[C@H]1CC(=O)[O-]	REAL300018555777	1	51	-1.0	-58.35	415.94	7.50	-50.85
CC(C)(C)O[C@@H]1C[C@H](NCC2=NC(Cl)=CS2)[C@H]1CC(=O)[O-]	REAL300018555809	1	41	-1.0	-51.67	358.08	5.16	-46.51
CC(C)(C)O[C@@H]1C[C@H](NCC2=NC=C(Br)S2)[C@H]1CC(=O)[O-]	REAL300018555861	1	41	-1.0	-49.66	363.32	5.47	-44.19
CC(C)(C)O[C@@H]1C[C@H](NCC2=NC=C(C(F)(F)F)S2)[C@H]1CC(=O)[O-]	REAL300018555876	1	44	-1.0	-49.72	382.59	5.91	-43.81
CN(C)CC1=NC(CN[C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CS1	REAL300018555893	1	52	-1.0	-57.47	417.52	4.09	-53.38
CC(C)(C)O[C@@H]1C[C@H](NCC2=C(F)C=NC=C2Br)[C@H]1CC(=O)[O-]	REAL300018555910	1	44	-1.0	-51.07	375.18	6.37	-44.70
CC(C)(C)O[C@@H]1C[C@H](NCC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)[C@H]1CC(=O)[O-]	REAL300018555924	1	58	-1.0	-57.13	458.76	9.24	-47.89
CC(C)(C)O[C@@H]1C[C@H](NCC2=NOC(C3CCC3)=C2)[C@H]1CC(=O)[O-]	REAL300018555936	1	51	-1.0	-57.05	401.51	7.86	-49.19
CC(C)(C)O[C@@H]1C[C@H](NCC2=NOC(C3(C)CC3)=C2)[C@H]1CC(=O)[O-]	REAL300018555937	1	51	-1.0	-57.33	403.89	7.76	-49.57
CC(C)(C)O[C@@H]1C[C@H](NCC2=NOC(C3CC3)=C2)[C@H]1CC(=O)[O-]	REAL300018555957	1	48	-1.0	-57.46	384.88	7.33	-50.13
CC(C)(C)O[C@@H]1C[C@H](NCC2=CN(CC3CC3)N=N2)[C@H]1CC(=O)[O-]	REAL300018555965	1	51	-1.0	-58.80	406.16	6.50	-52.30
COC1=CC=C([C@H](C)NCC2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300018556936	1	41	-1.0	-56.33	355.86	9.38	-46.95
COC1=CC=C([C@H](C)NCC2=CC=C(OC)C(OC)=C2Cl)C=C1C(=O)[O-]	REAL300018556940	1	47	-1.0	-57.61	397.11	8.18	-49.43
COC1=CC=C([C@H](C)NCC2=CSC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300018556949	0	38	-1.0	-59.20	342.76	8.19	-51.01
COC1=CC=C(Br)C(CN[C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300018556955	1	43	-1.0	-56.40	367.80	8.27	-48.13
COC1=CC=C([C@H](C)NCC2=CC=C(OC)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300018556956	1	45	-1.0	-61.17	377.88	9.14	-52.03
COC1=CC=C([C@H](C)NCC2=CC=C(F)C=C2Br)C=C1C(=O)[O-]	REAL300018556964	0	39	-1.0	-54.65	345.21	9.02	-45.63
COC1=CC=C([C@H](C)NCC2=NC3=CC=CC=C3N2C)C=C1C(=O)[O-]	REAL300018556977	1	45	-1.0	-61.41	369.96	8.77	-52.64
COC1=CC=C([C@H](C)NCC2=CSC(Br)=C2)C=C1C(=O)[O-]	REAL300018556979	1	36	-1.0	-56.66	334.00	8.07	-48.59
COC1=CC=C([C@H](C)NCC2=CC=CC=C2OCC2=CC=NC=C2)C=C1C(=O)[O-]	REAL300018556980	1	52	-1.0	-58.21	427.81	9.94	-48.27
COC1=CC=C([C@H](C)NCC2=CC=CC=C2OCC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300018556981	1	52	-1.0	-58.10	427.76	9.94	-48.16
COC1=CC=C([C@H](C)NCC2=CC(C)=NN2C)C=C1C(=O)[O-]	REAL300018556986	1	42	-1.0	-58.32	344.89	6.55	-51.77
COC1=CC=C([C@H](C)NCC2=CC=CC3=C2OC(F)(F)O3)C=C1C(=O)[O-]	REAL300018556988	1	42	-1.0	-56.79	361.88	7.49	-49.30
COC1=CC=C([C@H](C)NCC2=C(N3CCOCC3)N(C)N=C2C)C=C1C(=O)[O-]	REAL300018556996	1	55	-1.0	-59.42	424.44	6.35	-53.07
COC1=CC=C([C@H](C)NCC2=CN(C3=CC=C(F)C=C3)N=C2)C=C1C(=O)[O-]	REAL300018557000	1	46	-1.0	-56.87	387.96	9.67	-47.20
CC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1F	REAL300018562204	0	35	-1.0	-48.46	316.05	9.66	-38.80
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCCCC1(C)C	REAL300018562205	0	41	-1.0	-50.13	319.50	9.65	-40.48
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300018562207	0	34	-1.0	-52.79	327.79	10.14	-42.65
CC(C)=CCCC(C)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562208	0	41	-1.0	-49.17	341.59	10.25	-38.92
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC(C)(C)C	REAL300018562209	0	34	-1.0	-48.36	286.80	8.12	-40.24
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC(C)(C)CC(C)(C)C1	REAL300018562210	0	47	-1.0	-50.72	361.59	10.46	-40.26
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=CC=C2S1	REAL300018562211	0	35	-1.0	-49.13	326.72	10.49	-38.64
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(OC(C)C)C=C1	REAL300018562212	0	42	-1.0	-48.74	358.61	9.80	-38.94
CC1=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=CC=C1F	REAL300018562213	0	35	-1.0	-47.42	316.07	9.65	-37.77
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC(C)CCC1C	REAL300018562214	0	41	-1.0	-50.48	330.36	9.90	-40.58
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=C2NC=CC2=CC=C1	REAL300018562215	0	36	-1.0	-49.25	320.69	8.96	-40.29
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CSC([N+](=O)[O-])=C1	REAL300018562216	0	31	-1.0	-50.22	309.38	8.74	-41.48
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC(C)CC(C)C1	REAL300018562217	0	41	-1.0	-50.15	331.84	9.75	-40.40
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(CC(C)C)C=C1	REAL300018562218	0	44	-1.0	-48.04	370.47	11.64	-36.40
CC1=CC(C)=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562219	0	38	-1.0	-48.44	332.15	10.28	-38.16
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1[N+](=O)[O-]	REAL300018562220	0	38	-1.0	-54.34	344.87	9.69	-44.65
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Cl)=C1	REAL300018562221	0	32	-1.0	-46.34	322.80	9.97	-36.37
CC1=CC=CC(C)=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562222	0	38	-1.0	-48.37	323.95	10.00	-38.37
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC(OC(F)F)=C1	REAL300018562223	0	36	-1.0	-50.29	328.59	8.53	-41.76
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NC=CS1	REAL300018562224	0	28	-1.0	-49.02	274.12	6.09	-42.93
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC(C(C)C)CC1	REAL300018562225	0	44	-1.0	-49.01	341.64	10.55	-38.46
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=CN=C1	REAL300018562226	0	30	-1.0	-48.07	278.96	6.97	-41.10
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=NC2=CC=CC=C12	REAL300018562227	0	37	-1.0	-49.38	327.49	9.19	-40.19
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(S(C)(=O)=O)C=C1	REAL300018562228	0	38	-1.0	-54.94	350.02	6.48	-48.46
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCCC1C	REAL300018562229	0	35	-1.0	-49.35	288.86	8.94	-40.41
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(C)CCOCC1=CC=CC=C1	REAL300018562230	0	45	-1.0	-50.17	384.55	10.61	-39.56
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC(C2=CC=C(Cl)C=C2)C1	REAL300018562231	0	39	-1.0	-49.17	349.35	11.36	-37.81
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCOCC1	REAL300018562232	0	33	-1.0	-48.73	281.20	6.13	-42.60
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(C)CCCC(C)C	REAL300018562233	0	43	-1.0	-49.23	351.18	10.38	-38.85
CCCCC(CC)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562234	0	40	-1.0	-49.73	323.28	9.44	-40.29
CCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)S1	REAL300018562235	0	35	-1.0	-47.92	322.92	9.63	-38.29
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CCCOC1	REAL300018562236	0	34	-1.0	-48.27	296.34	6.77	-41.50
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NC2=CC=CC=C2N1C	REAL300018562237	0	38	-1.0	-51.63	336.59	9.30	-42.33
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C2OCCC2=C1	REAL300018562238	0	37	-1.0	-49.23	325.24	8.79	-40.44
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2CCCC2)N=C1	REAL300018562239	0	43	-1.0	-48.88	363.26	8.86	-40.02
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=CS1	REAL300018562240	0	28	-1.0	-48.29	274.08	6.20	-42.09
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=C2C=CNC2=CC=C1	REAL300018562241	0	36	-1.0	-51.96	320.51	8.97	-42.99
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=CN1C	REAL300018562242	0	32	-1.0	-50.22	289.47	8.08	-42.14
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C2C=CNC2=C1	REAL300018562243	0	36	-1.0	-50.81	320.69	8.98	-41.83
CC1=NN(C)C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562244	0	35	-1.0	-48.25	311.89	7.09	-41.16
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(C)CC1=CC=CS1	REAL300018562245	0	35	-1.0	-49.77	319.81	9.58	-40.19
CC1=CC(F)=CC=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562246	0	35	-1.0	-47.20	312.88	9.75	-37.45
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(C)CC(C)(C)C1=CC=CC=C1	REAL300018562247	0	47	-1.0	-50.00	371.93	12.45	-37.55
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1N(C)C	REAL300018562248	0	40	-1.0	-49.83	342.83	8.79	-41.04
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018562249	0	41	-1.0	-52.36	358.58	10.60	-41.76
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018562250	0	41	-1.0	-50.89	358.75	10.61	-40.28
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CSC=N1	REAL300018562251	0	28	-1.0	-50.08	273.94	5.94	-44.14
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCN(C2=CN=CC=N2)CC1	REAL300018562252	0	42	-1.0	-52.24	351.16	6.98	-45.26
CC1=NNC(C)=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562253	0	35	-1.0	-49.56	309.89	6.49	-43.07
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN(C(C)(C)C)N=C1	REAL300018562254	0	41	-1.0	-50.32	352.09	8.76	-41.56
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=NN1C	REAL300018562255	0	32	-1.0	-47.97	289.95	6.50	-41.47
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=C(N2CCCC2)N=C1	REAL300018562256	0	42	-1.0	-49.22	358.35	8.83	-40.39
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN(C)N=C1C(C)C	REAL300018562257	0	41	-1.0	-50.49	354.56	8.59	-41.90
COCCOC1=CC=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562258	0	43	-1.0	-52.47	374.32	8.45	-44.02
COC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1Cl	REAL300018562259	0	36	-1.0	-49.43	334.86	8.80	-40.63
COC1=NC=CC=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562260	0	35	-1.0	-51.16	315.36	5.71	-45.45
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=NC=CC=C12	REAL300018562261	0	37	-1.0	-49.66	327.25	9.18	-40.48
CC1=NC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)S1	REAL300018562262	0	31	-1.0	-48.47	296.03	6.92	-41.55
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1OCCO2	REAL300018562263	0	38	-1.0	-51.66	332.69	8.14	-43.52
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1OCCCO2	REAL300018562264	0	41	-1.0	-53.12	351.25	8.92	-44.20
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC(C2=CC=CC(Cl)=C2)C1	REAL300018562265	0	39	-1.0	-50.79	349.15	11.39	-39.40
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC(C2=CC=CC=C2Cl)C1	REAL300018562266	0	39	-1.0	-48.58	346.12	11.28	-37.30
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CCC1CCC1NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562379	0	35	-1.0	-48.55	294.64	8.94	-39.61
CC1=CC=C(C(C)CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1	REAL300018562380	0	41	-1.0	-50.48	347.83	10.97	-39.51
COCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)O1	REAL300018562381	0	36	-1.0	-50.36	325.66	6.97	-43.39
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC(OC(C)(C)C)=C1	REAL300018562382	0	45	-1.0	-50.17	369.73	10.08	-40.09
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC(C)C1CCCCC1	REAL300018562383	0	44	-1.0	-48.87	346.26	10.43	-38.44
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(S(N)(=O)=O)C=C1	REAL300018562384	0	37	-1.0	-53.68	343.51	3.92	-49.76
CCC(CC)(CC)CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562385	0	43	-1.0	-48.94	329.48	9.55	-39.39
CC1=CN=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)O1	REAL300018562386	0	31	-1.0	-49.48	286.74	4.50	-44.98
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC2=CC=CC(Cl)=C2C1	REAL300018562387	0	39	-1.0	-54.25	342.33	11.08	-43.17
CC1=CNC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=N1	REAL300018562388	0	32	-1.0	-50.93	290.68	6.26	-44.67
CCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C(C)=C1	REAL300018562389	0	42	-1.0	-48.64	357.82	9.90	-38.74
COC1=CC(C)=CC=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562390	0	39	-1.0	-51.14	339.17	8.96	-42.18
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1CCC2=CC=CC=C2C1	REAL300018562391	0	42	-1.0	-49.06	349.83	11.43	-37.63
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC(C2=CC=C(F)C=C2)C1	REAL300018562392	0	42	-1.0	-49.69	357.23	11.53	-38.16
CC1=NC(C)=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)O1	REAL300018562393	0	34	-1.0	-49.06	307.37	5.10	-43.96
COCC1=CSC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562394	0	36	-1.0	-49.30	334.86	7.77	-41.53
CCCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)S1	REAL300018562395	0	38	-1.0	-47.79	344.42	10.40	-37.39
CC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)N=C1	REAL300018562396	0	34	-1.0	-50.51	305.75	7.77	-42.74
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=NS1	REAL300018562397	0	28	-1.0	-48.07	274.13	6.78	-41.29
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NC=CN1C(C)C	REAL300018562398	0	38	-1.0	-50.34	330.20	8.73	-41.61
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC([N+](=O)[O-])=C1C	REAL300018562399	0	37	-1.0	-50.42	329.13	10.17	-40.25
COC1=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=CC=C1Cl	REAL300018562400	0	36	-1.0	-48.18	334.87	8.80	-39.38
CC1=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=CS1	REAL300018562401	0	32	-1.0	-47.70	301.20	8.69	-39.01
COC1=CC=CC(C)=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562402	0	39	-1.0	-51.41	334.50	8.83	-42.58
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=C2OC=CC2=CC=C1	REAL300018562403	0	35	-1.0	-52.00	316.68	9.28	-42.72
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NN(C2=CC=CC=C2)C=C1	REAL300018562404	0	39	-1.0	-53.21	348.22	10.06	-43.15
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=C(C(F)(F)F)S1	REAL300018562405	0	31	-1.0	-46.69	315.40	7.37	-39.32
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CSCC1C	REAL300018562406	0	33	-1.0	-48.70	293.42	8.31	-40.39
CCC1=NN(C)C=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562407	0	38	-1.0	-50.60	334.95	8.05	-42.55
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NN2CCCCC2=C1	REAL300018562408	0	39	-1.0	-52.24	333.93	8.27	-43.97
CCC1=CC=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562409	0	38	-1.0	-48.36	332.22	10.39	-37.97
COC1=NC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)S1	REAL300018562410	0	32	-1.0	-48.01	306.84	4.58	-43.43
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC2=CC=C(Cl)C=C2C1	REAL300018562411	0	36	-1.0	-48.97	328.56	10.68	-38.29
CC1=NC=CN=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562412	0	33	-1.0	-50.06	296.30	5.74	-44.32
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC2(CC2)CC1	REAL300018562413	0	39	-1.0	-49.78	321.96	9.84	-39.94
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=C(C=N1)OCCO2	REAL300018562414	0	37	-1.0	-51.32	328.76	6.30	-45.02
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=C2C=CC(Cl)=CN12	REAL300018562415	0	35	-1.0	-49.10	332.89	9.88	-39.22
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1C[C@@H]2CC[C@@H](C2)C1	REAL300018562416	0	39	-1.0	-51.31	306.88	9.30	-42.01
CC1=CC=CN2C(CNC3=CC(C(=O)[O-])=CC(Br)=C3C)=CN=C12	REAL300018562417	0	38	-1.0	-51.29	337.62	9.97	-41.32
CCN1N=CN=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562418	0	34	-1.0	-48.25	307.30	8.05	-40.20
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=C(Cl)N1C	REAL300018562419	0	32	-1.0	-47.88	305.66	7.81	-40.07
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC(C(F)(F)F)=NN1	REAL300018562420	0	32	-1.0	-47.02	310.39	6.28	-40.74
CC1=CN=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)N1C	REAL300018562421	0	35	-1.0	-51.00	309.65	7.77	-43.23
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=C(F)C=CC=C2N1	REAL300018562422	0	36	-1.0	-49.88	327.72	8.95	-40.93
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=C(F)C=C2N1	REAL300018562423	0	36	-1.0	-47.72	327.62	8.95	-38.77
CCOC1=CC=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=N1	REAL300018562424	0	38	-1.0	-50.18	338.36	6.53	-43.65
CC1=C(Cl)C=CC=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562425	0	35	-1.0	-47.60	320.52	10.11	-37.49
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=NC=C2S1	REAL300018562426	0	34	-1.0	-48.69	321.45	8.70	-39.99
CC1=CC=CC2=NC=C(CNC3=CC(C(=O)[O-])=CC(Br)=C3C)N21	REAL300018562427	0	38	-1.0	-51.09	329.29	9.86	-41.23
CCC(NC1=CC(C(=O)[O-])=CC(Br)=C1C)C1CC1(C)C	REAL300018562428	0	41	-1.0	-49.82	328.23	10.17	-39.65
C=CCCCCCC(C)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562429	0	44	-1.0	-49.51	367.93	11.21	-38.30
C=CCCCCC(C)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562430	0	41	-1.0	-49.51	346.43	10.43	-39.08
CC1=CC(Cl)=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562431	0	35	-1.0	-47.65	327.48	10.12	-37.53
COCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1	REAL300018562432	0	39	-1.0	-49.60	344.39	8.69	-40.91
COCC(CC(C)(C)C)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562433	0	44	-1.0	-47.95	352.76	8.96	-38.99
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=CC(F)=C2N=C1	REAL300018562434	0	37	-1.0	-52.39	336.75	9.39	-43.00
CC1=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=CC2=CC=CN=C12	REAL300018562435	0	40	-1.0	-50.68	350.57	10.15	-40.53
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCCC(C(C)C)C1	REAL300018562436	0	44	-1.0	-49.89	346.02	10.26	-39.63
CC1=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)SN=N1	REAL300018562437	0	30	-1.0	-47.28	288.51	6.11	-41.17
CCCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1C	REAL300018562438	0	45	-1.0	-48.55	382.28	10.73	-37.82
COC1=C(C)C=NC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1C	REAL300018562439	0	41	-1.0	-50.61	353.96	7.81	-42.80
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCCCC12CCCC2	REAL300018562440	0	45	-1.0	-50.22	343.11	11.04	-39.18
CCC1CCCC(NC2=CC(C(=O)[O-])=CC(Br)=C2C)C1	REAL300018562441	0	41	-1.0	-48.80	324.82	10.10	-38.70
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC(F)=C1N	REAL300018562442	0	34	-1.0	-47.54	306.69	6.98	-40.56
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(C(F)F)C=C1	REAL300018562443	0	35	-1.0	-48.49	321.51	9.82	-38.67
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=CC(Cl)=CN=C2O1	REAL300018562444	0	34	-1.0	-49.77	328.75	6.92	-42.85
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1CCC2	REAL300018562445	0	39	-1.0	-48.89	333.55	10.78	-38.11
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN(C)N=C1[N+](=O)[O-]	REAL300018562446	0	34	-1.0	-57.37	319.18	8.30	-49.07
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NC(Cl)=CS1	REAL300018562447	0	28	-1.0	-48.63	291.09	6.51	-42.12
COC1=NSC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562448	0	32	-1.0	-47.33	306.65	4.87	-42.46
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NC=CC2=CC=CC=C21	REAL300018562449	0	37	-1.0	-51.37	327.07	9.23	-42.14
COC1=CC=CC(Cl)=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562450	0	36	-1.0	-52.73	331.54	8.73	-44.00
CC1=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=NN1C	REAL300018562451	0	35	-1.0	-50.93	310.83	7.18	-43.75
CCCN1N=C(C)C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1C	REAL300018562452	0	44	-1.0	-50.34	373.50	9.31	-41.03
CCOC1CC(NC2=CC(C(=O)[O-])=CC(Br)=C2C)C12CCCC2	REAL300018562453	0	46	-1.0	-53.63	369.56	9.96	-43.67
CCC(NC1=CC(C(=O)[O-])=CC(Br)=C1C)C1CCC1	REAL300018562454	0	38	-1.0	-49.79	307.62	9.08	-40.71
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC2CCC(C2)C1	REAL300018562455	0	39	-1.0	-51.40	307.18	9.31	-42.09
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCCC12CCCC2	REAL300018562456	0	42	-1.0	-51.65	327.33	10.65	-41.00
CCCC(CNC1=CC(C(=O)[O-])=CC(Br)=C1C)C1=CC=CC=C1	REAL300018562457	0	44	-1.0	-50.04	367.58	11.74	-38.30
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=C(C2CC2)O1	REAL300018562458	0	35	-1.0	-48.88	318.05	6.26	-42.62
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC(F)=CC=C1OC(C)C	REAL300018562459	0	42	-1.0	-50.70	363.96	9.91	-40.79
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC(C(C)(C)C)C1	REAL300018562460	0	41	-1.0	-49.03	329.49	9.58	-39.45
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NC2=CC=C(F)C=C2S1	REAL300018562461	0	34	-1.0	-48.30	327.41	8.47	-39.83
CCOC1=CN=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562462	0	38	-1.0	-48.97	335.62	7.36	-41.61
CCOC1=CC(F)=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562463	0	39	-1.0	-48.24	347.10	9.25	-38.99
COC1=CC=C(C(C)CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1	REAL300018562464	0	42	-1.0	-51.38	355.92	9.58	-41.80
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC(C2CC2)=NN1C	REAL300018562465	0	39	-1.0	-48.19	341.66	8.60	-39.59
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC2(CCCCC2)CC1	REAL300018562467	0	48	-1.0	-50.00	358.74	11.02	-38.98
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(C)C(C)C1=CC=CC=C1	REAL300018562468	0	41	-1.0	-50.82	343.87	10.88	-39.94
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC2=C(C1)C1=CC=CC=C1N2	REAL300018562469	0	40	-1.0	-51.20	343.51	10.19	-41.01
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=NN1CC1CC1	REAL300018562470	0	39	-1.0	-47.44	343.42	8.95	-38.49
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(C)CCC1=CC=CN=C1	REAL300018562471	0	40	-1.0	-50.99	345.43	9.54	-41.45
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC(C(C)C)=C1	REAL300018562472	0	41	-1.0	-48.25	349.55	10.87	-37.38
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NC=NN1C	REAL300018562473	0	31	-1.0	-48.62	285.48	7.19	-41.43
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(S(N)(=O)=O)O1	REAL300018562474	0	34	-1.0	-54.21	326.75	2.09	-52.12
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC2(CCOCC2)CC1	REAL300018562475	0	46	-1.0	-50.80	350.29	8.67	-42.13
COC1=CN=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1C	REAL300018562476	0	38	-1.0	-48.98	330.17	7.20	-41.78
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC(Cl)=C1N	REAL300018562477	0	34	-1.0	-47.01	315.61	7.46	-39.55
CCC1=CNC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=N1	REAL300018562478	0	35	-1.0	-50.90	312.11	6.99	-43.91
CC1=C(Br)C=C(C(=O)[O-])C=C1NCCC1=CC=C(F)C=C1Cl	REAL300018562479	0	35	-1.0	-51.01	331.00	10.22	-40.79
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=CN=CC=C2O1	REAL300018562480	0	34	-1.0	-49.28	311.94	7.73	-41.55
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(C(F)(F)F)S1	REAL300018562481	0	32	-1.0	-46.97	320.19	9.25	-37.72
CC1=C2C=C(CNC3=CC(C(=O)[O-])=CC(Br)=C3C)NC2=CC=C1	REAL300018562482	0	39	-1.0	-48.53	342.17	9.52	-39.01
CCOC1CCC(NC2=CC(C(=O)[O-])=CC(Br)=C2C)CC1	REAL300018562483	0	42	-1.0	-48.97	340.06	8.80	-40.17
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CSC(C(F)(F)F)=C1	REAL300018562484	0	32	-1.0	-47.42	319.94	9.09	-38.33
CCCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C(C)=C1	REAL300018562485	0	45	-1.0	-48.42	379.30	10.69	-37.73
CC1=C(C)NC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=N1	REAL300018562486	0	35	-1.0	-50.81	310.42	6.78	-44.03
CC1=CCC(NC2=CC(C(=O)[O-])=CC(Br)=C2C)CC1	REAL300018562487	0	36	-1.0	-50.20	303.58	9.12	-41.08
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC2(CCCC2)CC1	REAL300018562488	0	45	-1.0	-50.14	348.19	10.69	-39.45
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(C(F)F)N=C1	REAL300018562489	0	34	-1.0	-49.41	317.35	8.07	-41.34
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC2=CC=CC=C2CC1	REAL300018562490	0	42	-1.0	-49.95	341.89	11.08	-38.87
CCC1(C)CCC(NC2=CC(C(=O)[O-])=CC(Br)=C2C)CC1	REAL300018562491	0	44	-1.0	-50.21	338.38	9.91	-40.30
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCCC2=CC=CC=C2C1	REAL300018562492	0	42	-1.0	-54.94	343.98	11.20	-43.74
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN(C)N=C1C(F)F	REAL300018562493	0	35	-1.0	-53.52	325.72	7.54	-45.98
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(C)C1CCCCCC1	REAL300018562494	0	44	-1.0	-48.82	337.50	10.41	-38.41
CCC1(CC)CCC(NC2=CC(C(=O)[O-])=CC(Br)=C2C)CC1	REAL300018562495	0	47	-1.0	-50.21	352.94	10.41	-39.80
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1CCOC2	REAL300018562496	0	40	-1.0	-49.03	339.12	8.87	-40.16
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1CC1C1=CC=C(F)C=C1	REAL300018562497	0	39	-1.0	-54.09	339.42	10.90	-43.19
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(C)CC1=COC2=CC=CC=C12	REAL300018562498	0	41	-1.0	-54.13	353.05	10.92	-43.21
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC(S(N)(=O)=O)=C1	REAL300018562499	0	37	-1.0	-54.53	343.56	3.90	-50.63
CCCN1N=CC=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562500	0	38	-1.0	-47.37	332.47	8.17	-39.20
CC1=CC=C2C=C(CNC3=CC(C(=O)[O-])=CC(Br)=C3C)NC2=C1	REAL300018562501	0	39	-1.0	-48.48	342.59	9.54	-38.94
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=C2CCCN2N=C1	REAL300018562502	0	36	-1.0	-52.06	315.81	7.55	-44.51
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NN2CCCC2=C1	REAL300018562503	0	36	-1.0	-53.55	315.86	7.45	-46.10
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NC=C(C(F)(F)F)S1	REAL300018562504	0	31	-1.0	-46.57	314.97	7.26	-39.31
CC1=CC=C([N+](=O)[O-])C(C)=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562505	0	40	-1.0	-50.20	348.57	10.61	-39.59
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC(C(C)C)C1	REAL300018562506	0	41	-1.0	-49.04	331.97	9.87	-39.17
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=CN=C2O1	REAL300018562507	0	34	-1.0	-53.07	311.98	6.42	-46.65
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCCC(C)CC1	REAL300018562508	0	41	-1.0	-50.52	321.62	9.56	-40.96
CCC1CCCC(NC2=CC(C(=O)[O-])=CC(Br)=C2C)CC1	REAL300018562509	0	44	-1.0	-51.09	340.74	10.23	-40.86
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCCC(C)(C)CC1	REAL300018562510	0	44	-1.0	-51.44	330.41	9.73	-41.71
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCCC(C(C)(C)C)CC1	REAL300018562511	0	50	-1.0	-50.96	370.76	11.02	-39.94
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=CC(F)=CC=C2O1	REAL300018562513	0	35	-1.0	-48.06	323.63	9.54	-38.52
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(C)C1CCCO1	REAL300018562514	0	36	-1.0	-48.11	302.05	7.35	-40.76
COCC1=CC=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562515	0	39	-1.0	-50.07	344.39	8.68	-41.39
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CSC(CN(C)C)=N1	REAL300018562516	0	39	-1.0	-50.10	350.54	5.43	-44.67
CC1=CC=C(CCNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1	REAL300018562517	0	38	-1.0	-50.57	332.24	10.41	-40.16
CCCCC(C)C(C)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562518	0	43	-1.0	-49.00	342.42	10.02	-38.98
COC1=CC(C)=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1OC	REAL300018562519	0	43	-1.0	-50.59	365.19	8.86	-41.73
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1C1CC1	REAL300018562520	0	39	-1.0	-48.86	334.71	11.00	-37.86
CC1=C(Br)C=C(C(=O)[O-])C=C1NCCC1=CC=C(F)C=C1F	REAL300018562521	0	35	-1.0	-51.70	322.72	9.85	-41.85
CC1=CC(C)=CC(CCNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562522	0	41	-1.0	-50.73	353.65	11.06	-39.67
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(C)CCC1=CSC=C1	REAL300018562523	0	38	-1.0	-49.65	340.57	10.25	-39.40
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CNN=C1C1=CSC=C1	REAL300018562524	0	36	-1.0	-51.16	334.14	8.38	-42.78
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC(C2=CC=CC=N2)=NN1	REAL300018562525	0	38	-1.0	-51.29	345.52	7.18	-44.11
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(C)CC1=CN(C)N=C1	REAL300018562526	0	38	-1.0	-53.96	332.34	8.27	-45.69
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=C2C(=C1)C=NN2C	REAL300018562527	0	37	-1.0	-51.18	333.64	8.09	-43.09
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(C)CCC1=CC=C(F)C=C1F	REAL300018562528	0	41	-1.0	-52.56	362.55	11.43	-41.13
COCC(CC1CCOCC1)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562529	0	46	-1.0	-48.28	368.31	8.02	-40.26
CC1=C(Br)C=C(C(=O)[O-])C=C1NCCCC1=CN(C)N=C1	REAL300018562530	0	38	-1.0	-52.35	335.14	8.30	-44.05
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NC2=C(CC(C)CC2)S1	REAL300018562531	0	41	-1.0	-49.15	358.65	9.30	-39.85
CCC1=CN=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)S1	REAL300018562532	0	34	-1.0	-48.84	317.52	7.67	-41.17
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(F)N=C1	REAL300018562533	0	31	-1.0	-48.73	290.59	7.11	-41.62
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC2COCCC2C1	REAL300018562534	0	43	-1.0	-49.44	338.46	8.77	-40.67
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC2(C1)COC(C)(C)C2	REAL300018562535	0	43	-1.0	-50.30	352.88	8.63	-41.67
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC2(C1)COC(C)C2	REAL300018562536	0	40	-1.0	-51.64	332.49	7.96	-43.68
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCOC2=CC=CC=C2C1	REAL300018562537	0	40	-1.0	-50.20	336.32	9.41	-40.79
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCCC2=C(C=CS2)C1	REAL300018562538	0	39	-1.0	-53.54	336.21	10.33	-43.21
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=C2C(=CC=C1)N=CN2C	REAL300018562539	0	38	-1.0	-50.43	329.80	10.40	-40.03
COC1=CC=C(C)C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562540	0	39	-1.0	-50.02	335.94	8.97	-41.05
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NOC(C2CCC2)=C1	REAL300018562541	0	38	-1.0	-49.32	334.48	9.18	-40.14
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NOC(C2(C)CC2)=C1	REAL300018562542	0	38	-1.0	-49.19	336.92	9.09	-40.10
CCC1=CC=CC=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562543	0	38	-1.0	-48.51	325.22	10.34	-38.17
CC1=CC(F)=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562544	0	35	-1.0	-48.06	317.15	9.69	-38.37
CC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C(C)=C1C	REAL300018562545	0	41	-1.0	-48.82	341.20	10.78	-38.04
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1C(C)(C)C	REAL300018562546	0	44	-1.0	-48.22	348.50	11.55	-36.67
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=C2CCCCCN12	REAL300018562547	0	42	-1.0	-49.65	345.41	9.34	-40.31
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CON=C1C1CC1	REAL300018562548	0	35	-1.0	-48.51	317.60	8.55	-39.96
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC(C2=CC=CC=C2)=NO1	REAL300018562549	0	38	-1.0	-49.47	344.30	10.11	-39.36
CCN1CCC2=CC(CNC3=CC(C(=O)[O-])=CC(Br)=C3C)=CC=C21	REAL300018562550	0	44	-1.0	-48.84	366.23	9.45	-39.39
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC2(COC(C)(C)C2)CC1	REAL300018562551	0	49	-1.0	-51.92	376.04	9.43	-42.49
CC1=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=CC=C1C1CC1	REAL300018562552	0	42	-1.0	-48.44	355.75	11.58	-36.86
CCOC1=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=CC=N1	REAL300018562553	0	38	-1.0	-49.02	338.27	6.60	-42.42
CC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1C1CC1	REAL300018562554	0	42	-1.0	-48.70	355.77	11.58	-37.12
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCCC1CC(C)C	REAL300018562555	0	44	-1.0	-49.69	352.24	10.61	-39.08
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC(C2CCC2)C1	REAL300018562556	0	39	-1.0	-48.91	325.47	10.06	-38.85
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=C(C2CCOCC2)O1	REAL300018562557	0	42	-1.0	-49.18	361.61	5.41	-43.77
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NOC(C2CC2)=C1	REAL300018562558	0	35	-1.0	-49.50	317.91	8.67	-40.83
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C2OC(C)C(C)C2=C1	REAL300018562559	0	43	-1.0	-49.07	362.72	10.06	-39.01
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC(C(C)C)=CC=C1O	REAL300018562560	0	42	-1.0	-51.08	359.59	8.05	-43.03
CC1=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)NN=C1C(F)(F)F	REAL300018562561	0	35	-1.0	-46.70	326.81	6.78	-39.92
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC2(CCC2)CC1	REAL300018562562	0	42	-1.0	-49.96	334.11	10.17	-39.79
CC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1O	REAL300018562563	0	36	-1.0	-49.37	320.43	6.85	-42.52
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NC(C2CC2)=CS1	REAL300018562564	0	35	-1.0	-49.23	324.97	8.16	-41.07
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN(CC2CC2)N=N1	REAL300018562565	0	38	-1.0	-53.50	338.87	7.85	-45.65
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C2CCOC2=C1	REAL300018562566	0	37	-1.0	-50.41	325.18	8.79	-41.62
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NC2=C(CCCC2)N1	REAL300018562567	0	39	-1.0	-50.84	332.28	8.00	-42.84
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C2COCCC2=C1	REAL300018562568	0	40	-1.0	-49.55	343.04	9.04	-40.51
CC1=CC=CC(F)=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562569	0	35	-1.0	-50.84	311.66	9.49	-41.35
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC=C1C1CCC1	REAL300018562570	0	42	-1.0	-48.95	350.84	11.45	-37.50
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=CC(C2=CC=CN=C2)=C1	REAL300018562571	0	40	-1.0	-51.53	353.62	8.80	-42.73
CSC1=CC=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562572	0	36	-1.0	-49.71	329.55	9.97	-39.74
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=NN1C(C)(C)C	REAL300018562573	0	41	-1.0	-47.32	340.23	8.84	-38.48
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC2=CC(Cl)=CC=C2C1	REAL300018562574	0	39	-1.0	-50.65	345.49	11.21	-39.44
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC2C(C1)C2(C)C	REAL300018562575	0	39	-1.0	-48.38	318.55	9.71	-38.67
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=C(C(C)C)C=NN1C	REAL300018562576	0	41	-1.0	-47.73	351.49	8.42	-39.31
CCC(NC1=CC(C(=O)[O-])=CC(Br)=C1C)C(C)CC1=CC=CC=C1	REAL300018562577	0	47	-1.0	-50.15	369.14	11.80	-38.35
CCN1C=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=N1	REAL300018562578	0	35	-1.0	-52.53	313.74	7.52	-45.01
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(CC2CC2)S1	REAL300018562579	0	39	-1.0	-47.97	354.53	11.19	-36.78
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(OC2CC2)C=C1	REAL300018562580	0	40	-1.0	-49.13	349.87	9.92	-39.21
CC1=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)OC2=CC=C(F)C=C12	REAL300018562582	0	38	-1.0	-48.10	344.04	10.16	-37.94
CCCN1C=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=N1	REAL300018562583	0	38	-1.0	-52.27	335.24	8.28	-43.99
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NN(C(C)C)C=C1	REAL300018562584	0	38	-1.0	-51.87	332.43	8.04	-43.83
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=CC(C(C)(C)C)=C1	REAL300018562585	0	43	-1.0	-48.09	360.73	9.45	-38.64
CCC(CC)C(C)NC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562586	0	40	-1.0	-49.53	318.23	9.21	-40.32
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NN(CC(F)(F)F)C=C1	REAL300018562587	0	35	-1.0	-55.91	331.62	8.01	-47.90
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NC2=C(CCCC2)N1C	REAL300018562588	0	42	-1.0	-51.76	352.91	9.61	-42.15
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN(C)N=C1C(F)(F)F	REAL300018562589	0	35	-1.0	-53.02	329.14	7.86	-45.16
CC1=CC=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=N1	REAL300018562590	0	34	-1.0	-50.94	305.90	7.73	-43.21
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=CC=CC=C2C=N1	REAL300018562591	0	37	-1.0	-52.01	330.49	9.37	-42.64
COC1=NC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=CC=C1C	REAL300018562592	0	38	-1.0	-50.34	336.64	6.33	-44.01
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC(C(F)F)=C1F	REAL300018562593	0	35	-1.0	-55.58	327.92	9.89	-45.69
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1COCC2	REAL300018562594	0	40	-1.0	-50.16	339.14	8.89	-41.27
CCOC1=CC=C(Cl)C=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562595	0	39	-1.0	-50.19	356.34	9.73	-40.46
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=C(CCCC2)O1	REAL300018562596	0	39	-1.0	-48.84	333.61	9.78	-39.06
CCC(C)N1N=CC=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562597	0	41	-1.0	-47.38	350.65	8.71	-38.67
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN(C2CCCCC2)N=C1	REAL300018562598	0	45	-1.0	-49.42	373.99	10.00	-39.42
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC2CCCCC2C1	REAL300018562599	0	42	-1.0	-49.24	334.76	10.38	-38.86
COC1=CC(C)=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=N1	REAL300018562600	0	38	-1.0	-48.50	333.93	6.35	-42.15
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NC2=CC=CC=C2S1	REAL300018562601	0	34	-1.0	-50.80	320.99	8.40	-42.40
COC1=CC=CC(C2CC(NC3=CC(C(=O)[O-])=CC(Br)=C3C)C2)=C1	REAL300018562602	0	43	-1.0	-50.44	361.91	10.17	-40.27
CC1=NOC(C2CC(NC3=CC(C(=O)[O-])=CC(Br)=C3C)C2)=N1	REAL300018562603	0	37	-1.0	-58.89	326.18	6.48	-52.41
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC(C2CCOCC2)C1	REAL300018562604	0	43	-1.0	-50.20	350.11	8.80	-41.40
CCCN1C=NC=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562605	0	38	-1.0	-49.64	331.41	9.87	-39.77
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC=CC1=CC=C2OCOC2=C1	REAL300018562606	0	39	-1.0	-52.03	346.43	8.91	-43.12
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(CC2CCC2)C=C1	REAL300018562607	0	45	-1.0	-48.21	380.44	12.47	-35.74
COC1=CC=C(CC(C)NC2=CC(C(=O)[O-])=CC(Br)=C2C)C(C)=C1	REAL300018562608	0	45	-1.0	-53.86	374.93	10.25	-43.61
CCC1=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=NN1CC	REAL300018562609	0	41	-1.0	-50.47	352.09	8.85	-41.62
CC1=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C(C(F)(F)F)=CO1	REAL300018562610	0	35	-1.0	-50.81	330.02	8.71	-42.10
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC(C(C)(F)F)=C1	REAL300018562611	0	38	-1.0	-48.81	342.54	10.48	-38.33
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CNN=C1C1=CN(C)N=C1	REAL300018562612	0	39	-1.0	-55.83	348.49	7.16	-48.67
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC2CCCCCC2C1	REAL300018562613	0	45	-1.0	-48.94	349.99	10.92	-38.02
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC(C)C2=CC=CC=C2C1	REAL300018562614	0	45	-1.0	-54.82	360.02	11.61	-43.21
C=CCC1=CC=CC=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562615	0	39	-1.0	-49.01	338.86	10.92	-38.09
COCC1=CC=CC=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562616	0	39	-1.0	-48.15	339.03	8.79	-39.36
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C2CCOCC2=C1	REAL300018562617	0	40	-1.0	-49.54	343.05	9.04	-40.50
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC(C2=CC=NC=C2)=NN1	REAL300018562618	0	38	-1.0	-49.34	343.96	7.11	-42.23
COC1=CC=C(F)C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1OC	REAL300018562619	0	40	-1.0	-52.66	353.66	8.25	-44.41
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC=CC1=CC=NC=C1	REAL300018562620	0	35	-1.0	-50.23	315.39	8.47	-41.76
CCN1C=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C(C2CC2)=N1	REAL300018562621	0	42	-1.0	-50.67	366.62	9.78	-40.89
CCC1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)N=C1	REAL300018562622	0	37	-1.0	-50.08	327.23	8.52	-41.56
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CON=C1C(C)(C)C	REAL300018562623	0	40	-1.0	-47.92	335.88	9.11	-38.81
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=CN=CC=C2C=C1	REAL300018562624	0	37	-1.0	-49.88	330.33	9.43	-40.45
CC1=CC2=CC=CC(CNC3=CC(C(=O)[O-])=CC(Br)=C3C)=C2O1	REAL300018562625	0	38	-1.0	-52.38	338.57	10.10	-42.28
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CON=C1C1CCC1	REAL300018562626	0	38	-1.0	-48.18	334.04	9.02	-39.16
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(OC(C)C)C(F)=C1	REAL300018562627	0	42	-1.0	-50.02	364.84	9.88	-40.14
CC1=NN(C2CCCC2)C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1	REAL300018562628	0	45	-1.0	-47.58	377.41	10.02	-37.56
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=NN1CC(F)F	REAL300018562629	0	35	-1.0	-48.39	323.95	7.69	-40.70
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NN(C2CCC2)C=C1	REAL300018562631	0	39	-1.0	-51.73	337.55	8.62	-43.11
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NN(CC(F)F)C=C1	REAL300018562632	0	35	-1.0	-52.51	326.73	7.81	-44.70
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NN(C2CC2(F)F)C=C1	REAL300018562633	0	36	-1.0	-55.41	335.25	8.38	-47.03
CC1=CN(C)C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=N1	REAL300018562634	0	35	-1.0	-51.28	310.91	7.88	-43.40
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC2CCCC(C2)C1	REAL300018562635	0	42	-1.0	-51.61	324.33	9.90	-41.71
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NN(C2CCCC2)C=C1	REAL300018562636	0	42	-1.0	-51.21	355.12	9.29	-41.92
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=C2OC=CC2=C(F)C=C1	REAL300018562637	0	35	-1.0	-50.56	323.10	9.35	-41.21
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=C2OC=CC2=CC(Cl)=C1	REAL300018562638	0	35	-1.0	-50.17	333.40	9.79	-40.38
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC=CC1=CC=CC=C1	REAL300018562639	0	36	-1.0	-49.26	320.37	10.25	-39.01
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=NN(C)C(C2=CC=CO2)=C1	REAL300018562640	0	39	-1.0	-52.05	350.96	8.26	-43.79
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=C(Cl)C=CC2=C1OCO2	REAL300018562641	0	35	-1.0	-51.65	329.41	8.02	-43.63
CC1=NN(C2CCC2)C=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562642	0	42	-1.0	-49.94	358.82	9.29	-40.65
COC1=CC=CC=C1C=CCNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562643	0	40	-1.0	-52.05	348.77	9.61	-42.44
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=CC=CC=N2)N=C1	REAL300018562644	0	40	-1.0	-51.23	358.54	9.30	-41.93
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC(C2=CC=CO2)=NN1C	REAL300018562645	0	39	-1.0	-50.57	352.64	8.20	-42.37
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC(C2=CC=CC=C2)=CC=N1	REAL300018562647	0	41	-1.0	-51.37	358.92	10.54	-40.83
COC1=CC(C)=CC(OC)=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562648	0	43	-1.0	-54.50	367.05	8.33	-46.17
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(CF)C=C1	REAL300018562649	0	35	-1.0	-49.56	317.31	9.77	-39.79
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C2SC=CC2=C1	REAL300018562650	0	35	-1.0	-48.40	326.26	10.32	-38.08
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(C2=CC=NC=C2)C=C1	REAL300018562651	0	41	-1.0	-50.46	358.75	10.62	-39.84
CC1=C(Br)C=C(C(=O)[O-])C=C1NC(C)CC1=CN(C)N=C1	REAL300018562652	0	38	-1.0	-53.96	332.34	8.27	-45.69
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC2CC=CCC2C1	REAL300018562653	0	40	-1.0	-48.91	326.82	10.28	-38.63
C=CCN1C=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=N1	REAL300018562654	0	36	-1.0	-50.62	326.48	8.17	-42.45
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=NNC=C2C=C1	REAL300018562655	0	35	-1.0	-55.48	315.58	7.67	-47.81
CCC(C)C1=CC=C(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)C=C1	REAL300018562656	0	44	-1.0	-47.99	368.01	11.55	-36.44
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC2(C1)CCOCC2	REAL300018562657	0	43	-1.0	-50.06	340.78	8.37	-41.69
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=CC2=C1CCCC2	REAL300018562658	0	42	-1.0	-48.68	347.83	11.27	-37.41
CC(=CC1=CC(F)=CC(F)=C1)CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562659	0	39	-1.0	-48.15	349.19	10.84	-37.31
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2C=CN=N2)C=C1	REAL300018562660	0	38	-1.0	-54.03	341.72	8.87	-45.16
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=C(C)C2=CC=CC=C2C=C1	REAL300018562661	0	41	-1.0	-49.39	348.63	11.81	-37.58
COC1=C2C=CNC2=CC=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562662	0	40	-1.0	-52.85	350.62	8.34	-44.51
CCCN1N=CC(CNC2=CC(C(=O)[O-])=CC(Br)=C2C)=C1C	REAL300018562663	0	41	-1.0	-50.40	354.14	8.80	-41.60
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC1CC1=CC=CC=C1	REAL300018562664	0	42	-1.0	-49.67	354.54	11.96	-37.71
CCCN1N=C(C)C=C1CNC1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300018562665	0	41	-1.0	-47.59	354.41	8.76	-38.83
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN(C)N=C1C1CCC1	REAL300018562666	0	42	-1.0	-50.45	360.97	9.36	-41.09
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CN=C(C(C)(C)C)O1	REAL300018562667	0	40	-1.0	-48.57	348.53	6.45	-42.12
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(Cl)=CC(F)=C1[O-]	REAL300018562758	0	39	-1.0	-47.40	314.69	7.18	-40.22
O=C([O-])C12CC(CNCC3=NC=CS3)(C1)OC21CCOCC1	REAL300018567844	1	41	-1.0	-48.42	334.14	2.84	-45.58
O=C([O-])C12CC(CNCC3=CSC=N3)(C1)OC21CCOCC1	REAL300018567874	1	41	-1.0	-49.63	332.84	2.66	-46.97
CC(C)C1=NC(CNCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CS1	REAL300018567907	1	50	-1.0	-50.08	397.11	4.73	-45.35
O=C([O-])C12CC(CNCC3=CSC(C4CC4)=N3)(C1)OC21CCOCC1	REAL300018567908	1	48	-1.0	-49.32	386.46	4.85	-44.47
CCC1=NC(CNCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CS1	REAL300018567909	1	47	-1.0	-50.03	377.39	4.16	-45.87
CC(C)(C)C1=NC(CNCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CS1	REAL300018567915	1	53	-1.0	-49.50	414.94	5.20	-44.30
CCN1C=CN=C1CNCC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567927	1	48	-1.0	-51.86	367.02	4.97	-46.89
O=C([O-])C12CC(CNCC3=CN(C4=CC=CC=C4)N=N3)(C1)OC21CCOCC1	REAL300018567930	1	51	-1.0	-55.25	402.93	5.45	-49.80
CN1C=CC(CNCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300018567936	1	45	-1.0	-52.80	352.23	3.40	-49.40
O=C([O-])C12CC(CNCC3=NC=CN3CC(F)(F)F)(C1)OC21CCOCC1	REAL300018567939	1	48	-1.0	-52.68	387.69	5.14	-47.54
O=C([O-])C12CC(CNCC3=COC(C4=CC=CC=C4)=N3)(C1)OC21CCOCC1	REAL300018567942	1	51	-1.0	-51.91	404.68	3.97	-47.94
CC1=CSC(CNCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300018567945	1	44	-1.0	-48.06	354.61	3.27	-44.79
O=C([O-])C12CC(CNCC3=NC(C4=CC=CC=C4)=CN3)(C1)OC21CCOCC1	REAL300018567950	1	52	-1.0	-54.13	408.95	5.95	-48.18
O=C([O-])C12CC(CNCC3=C(Cl)C=NC=C3Cl)(C1)OC21CCOCC1	REAL300018567971	1	44	-1.0	-47.15	373.41	4.68	-42.47
O=C([O-])C12CC(CNCC3=NC4=C(CCCC4)S3)(C1)OC21CCOCC1	REAL300018567972	1	51	-1.0	-49.08	397.87	5.44	-43.64
O=C([O-])C12CC(CNCC3=CC=NC=C3Br)(C1)OC21CCOCC1	REAL300018567973	1	44	-1.0	-48.92	361.87	4.44	-44.48
CC1=CC(CNCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=NN1C	REAL300018567977	1	48	-1.0	-52.48	370.59	3.83	-48.65
CC1=CC(CNCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=NO1	REAL300018567982	1	44	-1.0	-49.70	344.95	3.69	-46.01
CC1=NOC(CNCC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300018567995	1	44	-1.0	-49.50	344.95	3.72	-45.78
O=C([O-])C12CC(CNCC3=NOC=C3)(C1)OC21CCOCC1	REAL300018568000	1	41	-1.0	-50.20	323.78	2.92	-47.28
O=C([O-])C12CC(CNCC3=CSC(C4=CC=CC=N4)=N3)(C1)OC21CCC1	REAL300018569337	1	46	-1.0	-52.89	387.99	5.88	-47.01
CC1=CC=C(C2=NC(CNCC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=CS2)C=C1	REAL300018569369	1	50	-1.0	-48.39	413.97	8.43	-39.96
CC(C)C1=NC(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CS1	REAL300018569370	1	46	-1.0	-46.88	375.49	5.99	-40.89
O=C([O-])C12CC(CNCC3=CSC(C4CC4)=N3)(C1)OC21CCC1	REAL300018569371	1	44	-1.0	-48.23	364.65	6.13	-42.10
CCC1=NC(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CS1	REAL300018569372	1	43	-1.0	-46.98	355.77	5.42	-41.56
CC(C)(C)C1=NC(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CS1	REAL300018569380	1	49	-1.0	-47.32	394.19	6.43	-40.89
O=C([O-])C12CC(CNCC3=CSC(C4=CSC=C4)=N3)(C1)OC21CCC1	REAL300018569381	1	44	-1.0	-48.09	383.37	6.62	-41.47
CCN1C=CN=C1CNCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569405	1	44	-1.0	-48.56	349.47	6.22	-42.34
O=C([O-])C12CC(CNCC3=CN(C4=CC=CC=C4)N=N3)(C1)OC21CCC1	REAL300018569407	1	47	-1.0	-52.55	380.63	6.78	-45.77
O=C([O-])C12CC(CNCC3=NC(C4=CC=CC=C4)=CS3)(C1)OC21CCC1	REAL300018569408	1	47	-1.0	-49.21	391.29	7.68	-41.53
O=C([O-])C12CC(CNCC3=NC=CN3CC(F)(F)F)(C1)OC21CCC1	REAL300018569420	1	44	-1.0	-48.86	364.93	6.46	-42.40
O=C([O-])C12CC(CNCC3=COC(C4=CC=CC=C4)=N3)(C1)OC21CCC1	REAL300018569425	1	47	-1.0	-50.11	384.38	5.39	-44.72
O=C([O-])C12CC(CNCC3=CSC(C4=CC=CS4)=N3)(C1)OC21CCC1	REAL300018569426	1	44	-1.0	-48.61	384.20	6.78	-41.83
CC1=CSC(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569429	1	40	-1.0	-47.15	334.78	4.64	-42.51
O=C([O-])C12CC(CNCC3=NC(C4=CC=CC=C4)=CN3)(C1)OC21CCC1	REAL300018569435	1	48	-1.0	-52.76	386.41	7.22	-45.54
O=C([O-])C12CC(CNCC3=C(Cl)C=NC=C3Cl)(C1)OC21CCC1	REAL300018569457	1	40	-1.0	-45.26	351.18	6.01	-39.25
O=C([O-])C12CC(CNCC3=NC4=C(CCCC4)S3)(C1)OC21CCC1	REAL300018569458	1	47	-1.0	-48.64	376.24	6.71	-41.93
O=C([O-])C12CC(CNCC3=CC=NC=C3Br)(C1)OC21CCC1	REAL300018569459	1	40	-1.0	-47.24	341.37	5.69	-41.55
CC1=CC(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=NN1C	REAL300018569464	1	44	-1.0	-50.20	349.85	5.06	-45.14
O=C([O-])C12CC(CNCC3=C(Cl)C=CC=C3OC(F)F)(C1)OC21CCC1	REAL300018569485	1	45	-1.0	-48.25	379.70	7.00	-41.25
CC(C)N1C=CN=C1CNCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569526	1	47	-1.0	-48.42	368.58	6.78	-41.64
O=C([O-])C12CC(CNCC3=NN(C4=CC=CC=C4)C=C3)(C1)OC21CCC1	REAL300018569533	1	48	-1.0	-51.12	386.61	8.08	-43.04
O=C([O-])C12CC(CNCC3=NN4CCCCC4=C3)(C1)OC21CCC1	REAL300018569536	1	48	-1.0	-49.93	372.32	6.29	-43.64
CCN1N=CN=C1CNCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569546	1	43	-1.0	-49.31	344.82	6.08	-43.23
O=C([O-])C12CC(CNCC3=CN(C4=CC=C(F)C=C4)N=N3)(C1)OC21CCC1	REAL300018569549	1	47	-1.0	-51.35	387.04	6.85	-44.50
CC1=CN=C(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)N1C	REAL300018569551	1	44	-1.0	-50.73	348.51	5.75	-44.98
CN1C=C(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C([N+](=O)[O-])=N1	REAL300018569580	1	43	-1.0	-56.28	356.66	6.28	-50.00
O=C([O-])C12CC(CNCC3=NC(Cl)=CS3)(C1)OC21CCC1	REAL300018569581	1	37	-1.0	-47.32	329.96	4.47	-42.85
COC1=CC=CC(Cl)=C1CNCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569584	1	45	-1.0	-47.68	369.95	6.72	-40.96
O=C([O-])C12CC(CNCC3=CN=C(C4CC4)O3)(C1)OC21CCC1	REAL300018569597	1	44	-1.0	-48.74	356.44	4.26	-44.48
NS(=O)(=O)C1=CC=C(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)O1	REAL300018569616	1	43	-1.0	-54.94	364.90	0.02	-54.92
CCC1=CNC(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569621	1	44	-1.0	-49.10	350.50	5.04	-44.06
CC1=C(C)NC(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569629	1	44	-1.0	-49.44	348.81	4.83	-44.61
O=C([O-])C12CC(CNCC3=NC=C(Br)S3)(C1)OC21CCC1	REAL300018569634	1	37	-1.0	-45.83	334.68	4.78	-41.05
O=C([O-])C12CC(CNCC3=NN4CCCC4=C3)(C1)OC21CCC1	REAL300018569648	1	45	-1.0	-51.27	354.26	5.47	-45.80
O=C([O-])C12CC(CNCC3=NC=C(C(F)(F)F)S3)(C1)OC21CCC1	REAL300018569649	1	40	-1.0	-46.96	353.36	5.27	-41.69
CN(C)CC1=NC(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CS1	REAL300018569668	1	48	-1.0	-48.23	388.70	3.38	-44.85
O=C([O-])C12CC(CNCC3=C(F)C=NC=C3Br)(C1)OC21CCC1	REAL300018569685	1	40	-1.0	-45.35	346.42	5.72	-39.63
O=C([O-])C12CC(CNCC3=C(C4CC4)N(C4=CC=CC=C4)N=N3)(C1)OC21CCC1	REAL300018569700	1	54	-1.0	-53.56	431.60	8.57	-44.99
CC1CCC2=C(C1)SC(CNCC13CC(C(=O)[O-])(C1)C1(CCC1)O3)=N2	REAL300018569701	1	50	-1.0	-48.33	397.04	7.32	-41.01
CCC1=CN=C(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)S1	REAL300018569702	1	43	-1.0	-46.89	356.38	5.63	-41.26
O=C([O-])C12CC(CNCC3=NOC(C4CCC4)=C3)(C1)OC21CCC1	REAL300018569712	1	47	-1.0	-47.47	372.87	7.21	-40.26
CC1(C2=CC(CNCC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=NO2)CC1	REAL300018569713	1	47	-1.0	-47.64	375.31	7.11	-40.53
O=C([O-])C12CC(CNCC3=CN=C(C4CCOCC4)O3)(C1)OC21CCC1	REAL300018569732	1	51	-1.0	-49.48	400.47	3.36	-46.12
O=C([O-])C12CC(CNCC3=NOC(C4CC4)=C3)(C1)OC21CCC1	REAL300018569733	1	44	-1.0	-48.28	356.06	6.62	-41.66
O=C([O-])C12CC(CNCC3=NC(C4CC4)=CS3)(C1)OC21CCC1	REAL300018569740	1	44	-1.0	-47.01	363.12	6.11	-40.90
O=C([O-])C12CC(CNCC3=CN(CC4CC4)N=N3)(C1)OC21CCC1	REAL300018569741	1	47	-1.0	-52.70	377.02	5.79	-46.91
O=C([O-])C12CC(CNCC3=NC4=C(CCCC4)N3)(C1)OC21CCC1	REAL300018569743	1	48	-1.0	-49.58	370.67	6.05	-43.53
CCN1C=CC(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569756	1	44	-1.0	-49.56	352.13	5.53	-44.03
CCCN1C=CC(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569767	1	47	-1.0	-49.26	373.63	6.29	-42.97
CC(C)N1C=CC(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569768	1	47	-1.0	-49.30	370.79	6.04	-43.26
O=C([O-])C12CC(CNCC3=NN(CC(F)(F)F)C=C3)(C1)OC21CCC1	REAL300018569770	1	44	-1.0	-51.65	370.01	6.03	-45.62
CN1C(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=NC2=C1CCCC2	REAL300018569771	1	51	-1.0	-49.61	390.62	7.63	-41.98
CN1C=C(Br)N=C1CNCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569785	1	41	-1.0	-49.49	349.08	5.81	-43.68
COC1=CC=C(F)C(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1OC	REAL300018569815	1	49	-1.0	-49.49	392.03	6.24	-43.25
O=C([O-])C12CC(CNCC3=NN(C4CCC4)C=C3)(C1)OC21CCC1	REAL300018569832	1	48	-1.0	-49.20	373.83	6.53	-42.67
O=C([O-])C12CC(CNCC3=NN(CC(F)F)C=C3)(C1)OC21CCC1	REAL300018569833	1	44	-1.0	-49.24	365.12	5.82	-43.42
O=C([O-])C12CC(CNCC3=NN(C4CC4(F)F)C=C3)(C1)OC21CCC1	REAL300018569834	1	45	-1.0	-52.62	373.64	6.40	-46.22
CC1=CN(C)C(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569835	1	44	-1.0	-49.51	349.30	5.92	-43.59
O=C([O-])C12CC(CNCC3=NN(C4CCCC4)C=C3)(C1)OC21CCC1	REAL300018569837	1	51	-1.0	-48.65	391.97	7.23	-41.42
CN1N=C(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1C1=CC=CO1	REAL300018569843	1	48	-1.0	-50.76	389.35	6.28	-44.48
O=C([O-])C12CC(CNCC3=C(Cl)C=CC4=C3OCO4)(C1)OC21CCC1	REAL300018569844	1	44	-1.0	-47.50	367.56	5.95	-41.55
CN1C(CC2=CC=CC=C2)=CN=C1CNCC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569866	1	54	-1.0	-51.50	427.67	9.43	-42.07
CC(C)(C)C1=NC=C(CNCC23CC(C(=O)[O-])(C2)C2(CCC2)O3)O1	REAL300018569879	1	49	-1.0	-48.91	387.39	4.39	-44.52
CC(C)(C1=CC=C(NCC2=CC=C(C(=O)[O-])C=C2)C=C1)S(C)(=O)=O	REAL300018569880	0	44	-1.0	-59.69	362.35	6.78	-52.91
CC1=C(C(=O)[O-])C=C(CNC2=CC=C(C(C)(C)S(C)(=O)=O)C=C2)O1	REAL300018569881	0	44	-1.0	-58.94	363.41	5.74	-53.20
CC(C)(C1=CC=C(NCC2=C(C(=O)[O-])OC=C2)C=C1)S(C)(=O)=O	REAL300018569882	0	41	-1.0	-62.58	341.75	4.99	-57.59
CC(C)(C1=CC=C(NC2CCN(CC(=O)[O-])CC2)C=C1)S(C)(=O)=O	REAL300018569883	1	49	-1.0	-60.01	376.36	4.15	-55.86
CC(C)(C1=CC=C(NCC2=CC(C(=O)[O-])=CO2)C=C1)S(C)(=O)=O	REAL300018569884	0	41	-1.0	-58.55	345.42	5.01	-53.54
CC(C)(C1=CC=C(NC2CCC(C(=O)[O-])CC2)C=C1)S(C)(=O)=O	REAL300018569885	0	47	-1.0	-55.63	363.53	6.35	-49.28
CC(C)(C1=CC=C(NCC2=CN(CC(=O)[O-])N=N2)C=C1)S(C)(=O)=O	REAL300018569886	0	43	-1.0	-59.71	359.10	3.60	-56.11
CC(C)(C1=CC=C(NCC2=CC=C(C(=O)[O-])O2)C=C1)S(C)(=O)=O	REAL300018569887	0	41	-1.0	-59.13	345.16	5.28	-53.85
CC(C)(C1=CC=C(NCC2=CC=C(C(=O)[O-])O2)C=C1)S(C)(=O)=O	REAL300018569888	0	41	-1.0	-59.13	345.16	5.28	-53.85
CC(C)(CCNC1=CC=C(C(C)(C)S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300018569889	0	46	-1.0	-57.16	357.88	5.57	-51.59
CC(C)(C1=CC=C(NC2CCC(C(=O)[O-])CC2)C=C1)S(C)(=O)=O	REAL300018569890	0	47	-1.0	-55.63	363.53	6.35	-49.28
CC(C)(C1=CC=C(NCC2=CC=CC(C(=O)[O-])=C2)C=C1)S(C)(=O)=O	REAL300018569891	0	44	-1.0	-62.50	362.35	6.77	-55.73
CC(C)(C1=CC=C(NCC2=CC(C(=O)[O-])=NN2)C=C1)S(C)(=O)=O	REAL300018569892	0	41	-1.0	-61.94	343.76	3.20	-58.74
CC1=NN(CCC(=O)[O-])C(C)=C1CNC1=CC=C(C(C)(C)S(C)(=O)=O)C=C1	REAL300018569894	0	53	-1.0	-55.53	425.72	6.47	-49.06
CC(C)(C1=CC=C(NCC2=CC=C(OCC(=O)[O-])C=C2)C=C1)S(C)(=O)=O	REAL300018569895	0	48	-1.0	-57.38	393.42	7.06	-50.32
CC(C)(C1=CC=C(NCC2=CC=C(OCC(=O)[O-])C=C2)C=C1)S(C)(=O)=O	REAL300018569896	0	48	-1.0	-57.38	393.42	7.06	-50.32
CC(C)(C1=CC=C(NCC2=CSC(C(=O)[O-])=C2)C=C1)S(C)(=O)=O	REAL300018569897	0	41	-1.0	-60.40	352.89	5.82	-54.58
CC(C)(C1=CC=C(NC2CCC(CC(=O)[O-])CC2)C=C1)S(C)(=O)=O	REAL300018569898	0	50	-1.0	-56.18	380.60	6.97	-49.21
CC(C)(C1=CC=C(NCC2=CC(C(=O)[O-])=NO2)C=C1)S(C)(=O)=O	REAL300018569899	0	40	-1.0	-58.65	339.57	4.32	-54.33
CC(C)(C1=CC=C(NCC2=CC=CC(C(=O)[O-])=N2)C=C1)S(C)(=O)=O	REAL300018569900	0	43	-1.0	-64.74	358.19	4.93	-59.81
CC(C)(C1=CC=C(NCC2=CC(C(=O)[O-])=NO2)C=C1)S(C)(=O)=O	REAL300018569901	0	40	-1.0	-58.65	339.57	4.32	-54.33
CC(NC1=CC=C(C(C)(C)S(C)(=O)=O)C=C1)C1CC1C(=O)[O-]	REAL300018569902	0	44	-1.0	-64.17	339.26	5.65	-58.52
CC(C)(C1=CC=C(NC2CC(CC(=O)[O-])C2)C=C1)S(C)(=O)=O	REAL300018569903	0	44	-1.0	-58.67	349.65	5.94	-52.73
CC(OC1=CC=C(CNC2=CC=C(C(C)(C)S(C)(=O)=O)C=C2)C=C1)C(=O)[O-]	REAL300018569904	0	51	-1.0	-58.43	411.29	7.65	-50.78
CC1CC(NC2=CC=C(C(C)(C)S(C)(=O)=O)C=C2)CCC1C(=O)[O-]	REAL300018569905	0	50	-1.0	-60.40	379.06	6.80	-53.60
CC(C)(C1=CC=C(NCC2=CC=C(C=CC(=O)[O-])O2)C=C1)S(C)(=O)=O	REAL300018569906	0	45	-1.0	-63.98	379.66	4.88	-59.10
CC(C)(C1=CC=C(NC2CCCC(C(F)(F)C(=O)[O-])C2)C=C1)S(C)(=O)=O	REAL300018569907	0	50	-1.0	-51.58	385.50	7.35	-44.23
CC(C)(C1=CC=C(NC2CCC(C(F)(F)C(=O)[O-])C2)C=C1)S(C)(=O)=O	REAL300018569908	0	47	-1.0	-53.93	377.00	6.68	-47.25
CC1=C(CNC2=CC=C(C(C)(C)S(C)(=O)=O)C=C2)C=C(C(=O)[O-])O1	REAL300018569909	0	44	-1.0	-60.32	366.18	5.89	-54.43
CC1=C(C(=O)[O-])OC(CNC2=CC=C(C(C)(C)S(C)(=O)=O)C=C2)=C1	REAL300018569910	0	44	-1.0	-59.99	363.13	5.87	-54.12
CC(C)(C1=CC=C(NCC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1)S(C)(=O)=O	REAL300018569911	0	44	-1.0	-57.98	374.87	7.17	-50.81
CC(CC(C)(C)CC(=O)[O-])NC1=CC=C(C(C)(C)S(C)(=O)=O)C=C1	REAL300018569912	0	52	-1.0	-57.31	384.30	7.47	-49.84
CC1C(CC(=O)[O-])CCC1NC1=CC=C(C(C)(C)S(C)(=O)=O)C=C1	REAL300018569913	0	50	-1.0	-58.88	380.78	7.24	-51.64
CC(C)(C1=CC=C(NC2CC(C)(C(=O)[O-])C2)C=C1)S(C)(=O)=O	REAL300018569914	0	44	-1.0	-57.99	346.95	5.60	-52.39
CN1C=C(CNC2=CC=C(C(C)(C)S(C)(=O)=O)C=C2)C(C(=O)[O-])=N1	REAL300018569915	0	44	-1.0	-69.89	363.61	4.57	-65.32
CCC1=C(C(=O)[O-])C=C(CNC2=CC=C(C(C)(C)S(C)(=O)=O)C=C2)O1	REAL300018569916	0	47	-1.0	-59.54	384.89	6.52	-53.02
CC(C)(C1=CC=C(NC2CCCC(CCCC(=O)[O-])C2)C=C1)S(C)(=O)=O	REAL300018569917	0	56	-1.0	-58.68	424.52	8.52	-50.16
CC(CCCC(C)(C)C(=O)[O-])NC1=CC=C(C(C)(C)S(C)(=O)=O)C=C1	REAL300018569918	0	55	-1.0	-58.76	419.09	7.96	-50.80
CC(C)(C1=CC=C(NCC2=CC=C(C(=O)[O-])C=N2)C=C1)S(C)(=O)=O	REAL300018569919	0	43	-1.0	-57.87	357.50	4.93	-52.94
CC(C)(C1=CC=C(NC2CC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1)S(C)(=O)=O	REAL300018569920	0	51	-1.0	-60.49	398.52	8.71	-51.78
CN1N=C(C(=O)[O-])C=C1CNC1=CC=C(C(C)(C)S(C)(=O)=O)C=C1	REAL300018569921	0	44	-1.0	-64.95	364.22	4.43	-60.52
CC(C)(C1=CC=C(NCC2=CC=C(CCC(=O)[O-])O2)C=C1)S(C)(=O)=O	REAL300018569922	0	47	-1.0	-56.20	387.15	6.66	-49.54
CC(C)(C1=CC=C(NCC2=CC=C(F)C(C(=O)[O-])=C2)C=C1)S(C)(=O)=O	REAL300018569923	0	44	-1.0	-63.87	366.90	6.80	-57.07
CC(C)(C1=CC=C(NC2CC(CCC(=O)[O-])C2)C=C1)S(C)(=O)=O	REAL300018569924	0	47	-1.0	-57.61	371.64	6.69	-50.92
CC(C)(C1=CC=C(NCC2=CN3N=CC(C(=O)[O-])=C3N=C2)C=C1)S(C)(=O)=O	REAL300018569925	0	46	-1.0	-69.87	385.15	5.73	-64.14
CC(C)(C1=CC=C(NCC2=CC=C(C(=O)[O-])N=C2)C=C1)S(C)(=O)=O	REAL300018569926	0	43	-1.0	-61.81	358.06	4.98	-56.83
CC(C)(C1=CC=C(NCC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1)S(C)(=O)=O	REAL300018569927	0	44	-1.0	-52.17	372.92	6.82	-45.35
CC(C)(C1=CC=C(NCC2=CN=C3C=CC(C(=O)[O-])=CN23)C=C1)S(C)(=O)=O	REAL300018569928	0	47	-1.0	-55.64	389.20	7.18	-48.46
CC1=CC(C(=O)[O-])=NC=C1CNC1=CC=C(C(C)(C)S(C)(=O)=O)C=C1	REAL300018569929	0	46	-1.0	-62.21	375.62	5.68	-56.53
CC(C)(C1=CC=C(NC[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1)S(C)(=O)=O	REAL300018569930	0	47	-1.0	-57.15	367.78	6.44	-50.71
CC(C)(C1=CC=C(NCC2=CC=CN3C(C(=O)[O-])=CN=C23)C=C1)S(C)(=O)=O	REAL300018569931	0	47	-1.0	-65.56	388.03	6.49	-59.07
CC(C)(C1=CC=C(NCC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)C=C1)S(C)(=O)=O	REAL300018569932	0	51	-1.0	-55.40	408.99	6.35	-49.05
CC(C)(C1=CC=C(NCC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)C=C1)S(C)(=O)=O	REAL300018569933	0	51	-1.0	-60.50	410.15	6.66	-53.84
CC(C)(C1=CC=C(NCC2=CC(C(=O)[O-])=CC=C2O)C=C1)S(C)(=O)=O	REAL300018569934	0	45	-1.0	-59.14	372.34	3.96	-55.18
CN1N=C(C(F)(F)F)C=C1C1=CC=C(NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300018569935	0	42	-1.0	-52.17	370.11	9.61	-42.56
CC1=C(C(=O)[O-])C=C(CNC2=CC=C(C3=CC(C(F)(F)F)=NN3C)C=C2)O1	REAL300018569936	0	42	-1.0	-50.54	371.17	8.57	-41.97
CN1N=C(C(F)(F)F)C=C1C1=CC=C(NCC2=C(C(=O)[O-])OC=C2)C=C1	REAL300018569937	0	39	-1.0	-49.66	349.51	7.82	-41.84
CN1N=C(C(F)(F)F)C=C1C1=CC=C(NCC2=CC(C(=O)[O-])=CO2)C=C1	REAL300018569938	0	39	-1.0	-50.09	353.00	7.82	-42.27
CN1N=C(C(F)(F)F)C=C1C1=CC=C(NCC2=CN(CC(=O)[O-])N=N2)C=C1	REAL300018569939	0	41	-1.0	-50.51	366.85	6.44	-44.07
CN1N=C(C(F)(F)F)C=C1C1=CC=C(NCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018569940	0	39	-1.0	-50.50	352.92	8.11	-42.39
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CC(C)(C)C1=NC=C(CNCC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)O1	REAL300018574696	1	52	-1.0	-50.90	416.18	6.08	-44.82
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CN1C2=CC=CC=C2N=C1CN[C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577737	1	48	-1.0	-50.54	394.98	8.69	-41.85
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CC(C)N1C2=CC=CC=C2N=C1CN[C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577774	1	54	-1.0	-49.63	429.77	9.91	-39.72
COC1=NC=CC=C1CN[C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577775	1	45	-1.0	-52.56	373.33	5.06	-47.50
CCCN1C2=CC=CC=C2N=C1CN[C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577787	1	54	-1.0	-49.46	438.95	10.36	-39.10
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CC(C)C1=NC(CN[C@H](COCC2=CC=CC=C2)CC(=O)[O-])=CS1	REAL300018577804	1	47	-1.0	-48.38	395.50	7.35	-41.03
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CC(C)(C)C1=NC(CN[C@H](COCC2=CC=CC=C2)CC(=O)[O-])=CS1	REAL300018577813	1	50	-1.0	-48.22	415.08	7.89	-40.33
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C=CCN(CC1=CC=C(OC(C)C(=O)[O-])C=C1)CC1=CC=CC(OC)=C1	REAL300018579970	1	50	-1.0	-51.46	400.69	9.85	-41.61
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C=CCN(CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1)CC1=CC=CC(OC)=C1	REAL300018579980	1	53	-1.0	-59.86	428.33	11.96	-47.90
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C=CCN(CC1=CC=C(CCC(=O)[O-])O1)CC1=CC=CC(OC)=C1	REAL300018579983	0	46	-1.0	-47.44	370.88	8.50	-38.94
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C=CCN(CC1=CC2=C(S1)SC(C(=O)[O-])=C2)CC1=CC=CC(OC)=C1	REAL300018579985	1	43	-1.0	-49.20	381.40	9.65	-39.55
C=CCN(CC1=CC=CC(OC)=C1)CC1=CN2N=CC(C(=O)[O-])=C2N=C1	REAL300018579986	0	45	-1.0	-61.12	376.17	7.89	-53.23
C=CCN(CC1=CC=C(C(=O)[O-])N=C1)CC1=CC=CC(OC)=C1	REAL300018579987	0	42	-1.0	-57.78	347.49	7.13	-50.65
C=CCN(CC1=CC=CC(OC)=C1)CC1=CC(Cl)=CC=C1OC(C)C(=O)[O-]	REAL300018579988	0	50	-1.0	-46.23	417.38	10.43	-35.80
C=CCN(CC1=CC=CC(OC)=C1)CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300018579989	0	43	-1.0	-43.88	349.46	8.37	-35.51
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C=CCN(CC1=CC=CC(OC)=C1)CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018579993	0	46	-1.0	-58.21	378.99	8.70	-49.51
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C=CCN(CC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1)CC1=CC=CC(OC)=C1	REAL300018579995	0	50	-1.0	-47.76	393.44	8.13	-39.63
C=CCN(CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1)CC1=CC=CC(OC)=C1	REAL300018579996	0	50	-1.0	-54.06	401.15	8.91	-45.15
C=CCN(CC1=CC=CC(OC)=C1)CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018579997	1	46	-1.0	-47.08	390.50	9.97	-37.11
C=CCN(CC1=CC=CC(OC)=C1)CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018579999	1	43	-1.0	-47.50	374.10	9.56	-37.94
CC1=CC(Cl)=CC2=C1CN(CC1=CC=C(C(=O)[O-])C=C1)CC2	REAL300018580000	1	39	-1.0	-49.69	316.94	9.08	-40.61
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(Cl)=C1OC	REAL300018585543	1	52	-1.0	-53.87	427.71	9.98	-43.89
CC(C)(C)C1=CC=C(C(NCC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])C=C1	REAL300018585544	0	51	-1.0	-48.50	418.46	12.80	-35.70
CC(C)(C)C1=CC=C(C(NCC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300018585545	1	47	-1.0	-53.06	389.78	11.82	-41.24
CC(C)(C)C1=CC=C(C(NCC2=CSC([N+](=O)[O-])=C2)C(=O)[O-])C=C1	REAL300018585550	0	43	-1.0	-42.70	371.12	9.99	-32.71
CC(C)(C)C1=CC=C(C(NCC2=NC=CS2)C(=O)[O-])C=C1	REAL300018585560	0	40	-1.0	-50.33	336.03	7.29	-43.04
CC(C)(C)C1=CC=C(C(NCC2=CC=C(F)C=C2Br)C(=O)[O-])C=C1	REAL300018585563	1	44	-1.0	-47.01	374.52	10.75	-36.26
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300018585572	0	47	-1.0	-46.61	384.69	10.86	-35.75
CN1C2=CC=CC=C2N=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585574	0	50	-1.0	-55.39	397.65	10.50	-44.89
CC(C)(C)C1=CC=C(C(NCC2=CN=CS2)C(=O)[O-])C=C1	REAL300018585579	0	40	-1.0	-48.68	337.14	7.52	-41.16
CN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585581	0	44	-1.0	-53.90	352.58	9.40	-44.50
CC1=NN(C)C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585583	0	47	-1.0	-50.18	374.99	8.41	-41.77
CC(C)(C)C1=CC=C(C(NCC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])C=C1	REAL300018585585	1	47	-1.0	-59.17	391.99	9.35	-49.82
CC(C)(C)C1=CC=C(C(NCC2=CSC=N2)C(=O)[O-])C=C1	REAL300018585590	0	40	-1.0	-50.40	337.04	7.27	-43.13
CC(C)(C)C1=CC=C(C(NCC2=CN(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300018585597	0	53	-1.0	-53.83	415.19	10.08	-43.75
CN1N=CC=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585598	0	44	-1.0	-49.82	353.29	7.77	-42.05
CC(C)(C)C1=CC=C(C(NCC2=CSC(C3=CC=CC=N3)=N2)C(=O)[O-])C=C1	REAL300018585604	0	49	-1.0	-66.11	412.89	9.14	-56.97
COC1=NC=CC=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585605	1	47	-1.0	-52.31	378.59	6.98	-45.33
CC(C)(C)C1=CC=C(C(NCC2=CC=C(Br)C=N2)C(=O)[O-])C=C1	REAL300018585606	0	43	-1.0	-49.16	366.44	8.92	-40.24
CC(C)(C)C1=CC=C(C(NCC2=CN=C(N3CCOCC3)S2)C(=O)[O-])C=C1	REAL300018585607	0	53	-1.0	-47.36	424.91	7.47	-39.89
CC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300018585610	0	43	-1.0	-50.63	359.13	8.21	-42.42
CC(C)(C)C1=CC=C(C(NCC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1	REAL300018585611	1	50	-1.0	-55.98	395.80	9.45	-46.53
CC(C)(C)C1=CC=C(C(NCC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1	REAL300018585612	1	53	-1.0	-55.70	414.24	10.23	-45.47
CC(C)(C)C1=CC=C(C(NCC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1	REAL300018585615	1	52	-1.0	-51.17	421.79	11.51	-39.66
CC(C)(C)C1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1	REAL300018585620	0	51	-1.0	-52.31	418.47	12.84	-39.47
CC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=N1	REAL300018585623	1	45	-1.0	-45.28	362.57	8.16	-37.12
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300018585625	0	46	-1.0	-50.35	380.61	8.97	-41.38
CC(C)(C)C1=CC=C(C(NCC2=CN=C3C=CC=CN23)C(=O)[O-])C=C1	REAL300018585626	0	47	-1.0	-49.16	377.92	10.63	-38.53
CN(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300018585627	0	48	-1.0	-52.84	393.54	9.25	-43.59
CC1=CC=C(C2=NC(CNC(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)=CS2)C=C1	REAL300018585629	0	53	-1.0	-49.88	437.49	11.61	-38.27
CC(C)C1=NC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CS1	REAL300018585630	0	49	-1.0	-52.93	398.98	9.19	-43.74
CC(C)(C)C1=CC=C(C(NCC2=CSC(C3CC3)=N2)C(=O)[O-])C=C1	REAL300018585631	0	47	-1.0	-49.11	387.69	9.37	-39.74
CCC1=NC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CS1	REAL300018585632	0	46	-1.0	-52.61	379.26	8.63	-43.98
CC(C)(C)C1=NC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CS1	REAL300018585639	0	52	-1.0	-48.61	417.80	9.73	-38.88
CC(C)(C)C1=CC=C(C(NCC2=CSC(C3=CSC=C3)=N2)C(=O)[O-])C=C1	REAL300018585640	0	47	-1.0	-52.97	406.04	9.88	-43.09
CC(C)(C)C1=CC=C(C(NCC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])C=C1	REAL300018585641	0	51	-1.0	-51.07	426.94	13.05	-38.02
CC(C)(C)C1=CC=C(C(NCC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])C=C1	REAL300018585643	1	47	-1.0	-59.04	395.02	11.25	-47.79
CC(C)(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300018585644	0	52	-1.0	-50.86	419.27	10.04	-40.82
CC1=CC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C(C)S1	REAL300018585646	0	47	-1.0	-49.31	383.26	10.71	-38.60
CC1=CC=C(C2=CC=C(CNC(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)S2)C=C1	REAL300018585647	0	54	-1.0	-49.66	440.32	13.64	-36.02
COC1=C(Cl)C=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585649	1	48	-1.0	-48.63	415.06	10.67	-37.96
CC(C)(C)C1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=NN2)C(=O)[O-])C=C1	REAL300018585657	0	51	-1.0	-49.76	411.79	10.20	-39.56
CCN1C=CN=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585659	0	47	-1.0	-53.79	372.96	9.40	-44.39
CC(C)(C)C1=CC=C(C(NCC2=CN(C3=CC=CC=C3)N=N2)C(=O)[O-])C=C1	REAL300018585661	0	50	-1.0	-57.36	404.13	9.98	-47.38
CC(C)(C)C1=CC=C(C(NCC2=NC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1	REAL300018585662	0	50	-1.0	-48.73	414.32	10.92	-37.81
CC(C)(C)C1=CC=C(C(NCC2=CN=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1	REAL300018585664	0	50	-1.0	-52.12	417.70	11.23	-40.89
COC1=CC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C2OC(C)CC2=C1	REAL300018585666	1	56	-1.0	-54.45	438.81	10.17	-44.28
CN1N=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C2=CC=CC=C21	REAL300018585667	0	50	-1.0	-57.78	401.27	10.15	-47.63
CN1C=CC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300018585668	0	44	-1.0	-54.98	353.03	7.85	-47.13
CC(C)(C)C1=CC=C(C(NCC2=NNC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300018585669	0	47	-1.0	-56.01	379.71	8.85	-47.16
CC(C)(C)C1=CC=C(C(NCC2=C3C=CC=CC3=NN2)C(=O)[O-])C=C1	REAL300018585669	1	47	-1.0	-50.33	379.56	8.84	-41.49
CC(C)(C)C1=CC=C(C(NCC2=NC=CN2CC(F)(F)F)C(=O)[O-])C=C1	REAL300018585671	0	47	-1.0	-53.79	388.42	9.66	-44.13
CC1=NSC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585674	0	43	-1.0	-47.05	358.98	8.68	-38.37
CC(C)(C)C1=CC=C(C(NCC2=COC(C3=CC=CC=C3)=N2)C(=O)[O-])C=C1	REAL300018585675	0	50	-1.0	-59.90	409.05	8.71	-51.19
CC(C)(C)C1=CC=C(C(NCC2=CSC(C3=CC=CS3)=N2)C(=O)[O-])C=C1	REAL300018585676	0	47	-1.0	-55.24	407.70	9.98	-45.26
CC1=CSC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300018585678	0	43	-1.0	-48.80	358.97	8.01	-40.79
CN(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)N1C	REAL300018585682	0	52	-1.0	-51.87	411.04	9.31	-42.56
CC(C)(C)C1=CC=C(C(NCC2=NC(C3=CC=CC=C3)=CN2)C(=O)[O-])C=C1	REAL300018585683	0	51	-1.0	-60.89	410.24	10.55	-50.34
COC1=CC2=C(C=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)OCO2	REAL300018585694	1	51	-1.0	-50.08	405.44	8.18	-41.90
COC1=CC(Cl)=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1OC	REAL300018585695	1	52	-1.0	-50.87	423.09	9.93	-40.94
COC1=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)SC=C1	REAL300018585696	0	45	-1.0	-56.17	372.55	8.67	-47.50
CC(C)(C)C1=CC=C(C(NCC2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1	REAL300018585703	0	50	-1.0	-51.96	399.62	9.92	-42.04
CC(C)(C)C1=CC=C(C(NCC2=CC=NC=C2Br)C(=O)[O-])C=C1	REAL300018585704	1	43	-1.0	-48.16	363.63	9.03	-39.13
CC(C)(C)C1=CC=C(C(NCC2=CC=NC=C2Cl)C(=O)[O-])C=C1	REAL300018585705	1	43	-1.0	-48.19	360.01	8.92	-39.27
CC1=CC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=NN1C	REAL300018585707	0	47	-1.0	-59.58	374.99	8.40	-51.18
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=N1	REAL300018585709	1	48	-1.0	-45.17	384.05	8.77	-36.40
CC1=CC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=NO1	REAL300018585711	0	43	-1.0	-57.17	349.56	8.37	-48.80
CCN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585712	0	47	-1.0	-54.35	369.26	10.40	-43.95
CC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)N1C	REAL300018585713	0	47	-1.0	-54.89	373.21	9.17	-45.72
CC1=C(Br)SC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585715	0	44	-1.0	-47.11	384.17	10.64	-36.47
CC(C)(C)C1=CC=C(C(NCC2=CN=C3CCCN23)C(=O)[O-])C=C1	REAL300018585716	0	48	-1.0	-49.62	376.16	9.73	-39.89
CC(C)(C)C1=CC=C(C(NCC2=CC=C(F)C=N2)C(=O)[O-])C=C1	REAL300018585718	0	43	-1.0	-49.84	352.60	8.41	-41.43
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)SC=N1	REAL300018585719	0	43	-1.0	-49.78	356.84	7.97	-41.81
CC(C)(C)C1=CC=C(C(NCC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300018585722	1	54	-1.0	-45.49	422.72	10.14	-35.35
CC1=NOC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585723	0	43	-1.0	-52.30	349.56	8.41	-43.89
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=CO1	REAL300018585725	0	44	-1.0	-52.52	352.58	9.05	-43.47
CC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(Cl)=C1	REAL300018585726	1	47	-1.0	-48.89	384.36	11.25	-37.64
CC1=CC=C(C2=NC=C(CNC(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)S2)C=C1	REAL300018585729	0	53	-1.0	-51.89	439.10	11.90	-39.99
CC(C)(C)C1=CC=C(C(NCC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300018585731	1	49	-1.0	-61.16	406.13	11.20	-49.96
CC(C)(C)C1=CC=C(C(NCC2=CC=C([N+](=O)[O-])C=C2Cl)C(=O)[O-])C=C1	REAL300018585733	1	46	-1.0	-45.03	392.58	11.41	-33.62
CC(C)(C)C1=CC=C(C(NCC2=CC=C(C3=C(F)C=CC=C3F)O2)C(=O)[O-])C=C1	REAL300018585734	0	51	-1.0	-60.05	427.36	12.27	-47.78
CC1=CC(F)=CC=C1C1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)O1	REAL300018585735	0	54	-1.0	-48.73	437.35	12.78	-35.95
CCC1=CC=C(C2=CC=C(CNC(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)O2)C=C1	REAL300018585736	0	57	-1.0	-51.93	453.28	13.47	-38.46
COCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)O1	REAL300018585744	0	48	-1.0	-48.27	387.57	8.16	-40.11
CC1=CN=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)O1	REAL300018585748	0	43	-1.0	-53.90	349.84	5.82	-48.08
CC1=CNC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300018585750	0	44	-1.0	-57.29	352.67	7.57	-49.72
CC1=NC(C)=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)O1	REAL300018585755	0	46	-1.0	-46.64	369.15	6.32	-40.32
COCC1=CSC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585756	0	48	-1.0	-51.78	398.19	9.04	-42.74
CCCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300018585757	0	50	-1.0	-47.53	405.25	11.60	-35.93
CC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)N=C1	REAL300018585758	0	46	-1.0	-57.52	369.04	9.05	-48.47
CC(C)(C)C1=CC=C(C(NCC2=CC=NS2)C(=O)[O-])C=C1	REAL300018585759	0	40	-1.0	-49.93	337.19	8.10	-41.83
CC(C)N1C=CN=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585760	0	50	-1.0	-57.73	393.24	10.10	-47.63
CC1=CC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CS1	REAL300018585764	0	44	-1.0	-46.64	362.02	9.90	-36.74
CC(C)(C)C1=CC=C(C(NCC2=C3OC=CC3=CC=C2)C(=O)[O-])C=C1	REAL300018585765	0	47	-1.0	-58.80	380.02	10.54	-48.26
CC(C)(C)C1=CC=C(C(NCC2=NN(C3=CC=CC=C3)C=C2)C(=O)[O-])C=C1	REAL300018585766	0	51	-1.0	-61.83	411.52	11.35	-50.48
CC(C)(C)C1=CC=C(C(NCC2=CN=C(C(F)(F)F)S2)C(=O)[O-])C=C1	REAL300018585767	0	43	-1.0	-45.98	378.74	8.62	-37.36
CC(C)(C)C1=CC=C(C(NCC2=NN3CCCCC3=C2)C(=O)[O-])C=C1	REAL300018585770	0	51	-1.0	-56.17	395.82	9.49	-46.68
COC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300018585772	0	44	-1.0	-48.90	370.18	5.82	-43.08
CC1=NC=CN=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585774	0	45	-1.0	-54.76	359.40	7.07	-47.69
CC(C)(C)C1=CC=C(C(NCC2=CC3=C(C=N2)OCCO3)C(=O)[O-])C=C1	REAL300018585776	0	49	-1.0	-56.16	390.75	7.59	-48.57
CC1=CC=CN2C(CNC(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)=CN=C12	REAL300018585779	0	50	-1.0	-52.09	400.68	11.32	-40.77
CCN1N=CN=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585780	0	46	-1.0	-48.97	368.31	9.28	-39.69
CN1C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CN=C1Cl	REAL300018585781	1	44	-1.0	-49.62	369.01	9.08	-40.54
CN1C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CN=C1Br	REAL300018585782	1	44	-1.0	-49.67	373.06	9.15	-40.52
CC(C)(C)C1=CC=C(C(NCC2=CN(C3=CC=C(F)C=C3)N=N2)C(=O)[O-])C=C1	REAL300018585783	0	50	-1.0	-59.60	411.71	10.18	-49.42
CC(C)(C)C1=CC=C(C(NCC2=CC(C(F)(F)F)=NN2)C(=O)[O-])C=C1	REAL300018585784	1	44	-1.0	-44.43	373.45	7.62	-36.81
CC1=CN=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)N1C	REAL300018585785	0	47	-1.0	-58.88	372.95	9.07	-49.81
CCOC1=CC=CC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300018585788	0	50	-1.0	-47.63	400.12	7.77	-39.86
CC(C)(C)C1=CC=C(C(NCC2=CC3=CC=NC=C3S2)C(=O)[O-])C=C1	REAL300018585790	1	46	-1.0	-50.59	384.52	10.04	-40.55
CC1=CC=CC2=NC=C(CNC(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)N21	REAL300018585791	0	50	-1.0	-51.60	390.86	11.26	-40.34
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)SN=N1	REAL300018585801	0	42	-1.0	-46.59	351.84	7.37	-39.22
COC1=C(C)C=NC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1C	REAL300018585803	0	53	-1.0	-48.91	413.69	8.96	-39.95
CC(C)(C)C1=CC=C(C(NCC2=CC=C(S(C)(=O)=O)S2)C(=O)[O-])C=C1	REAL300018585806	0	47	-1.0	-54.58	404.16	6.87	-47.71
CC(C)(C)C1=CC=C(C(NCC2=CC3=CC(Cl)=CN=C3O2)C(=O)[O-])C=C1	REAL300018585810	0	46	-1.0	-50.34	389.57	8.11	-42.23
CC(C)(C)C1=CC=C(C(NCC2=NC(Cl)=CS2)C(=O)[O-])C=C1	REAL300018585812	0	40	-1.0	-46.17	354.39	7.78	-38.39
COC1=NSC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585813	0	44	-1.0	-47.74	369.94	6.13	-41.61
CC(C)(C)C1=CC=C(C(NCC2=NC=CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300018585814	0	49	-1.0	-54.39	388.82	10.48	-43.91
CC(C)(C)C1=CC=C(C(NCC2=CN=C(C3CC3)O2)C(=O)[O-])C=C1	REAL300018585820	0	47	-1.0	-52.43	380.04	7.53	-44.90
CC(C)(C)C1=CC=C(C(NCC2=NC3=CC=C(F)C=C3S2)C(=O)[O-])C=C1	REAL300018585822	0	46	-1.0	-49.04	389.32	9.67	-39.37
CN1N=C(C2CC2)C=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585827	0	51	-1.0	-45.24	403.39	9.84	-35.40
CC(C)(C)C1=CC=C(C(NCC2=CC=NN2CC2CC2)C(=O)[O-])C=C1	REAL300018585833	0	51	-1.0	-49.26	406.81	10.28	-38.98
CN1N=CN=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585836	0	43	-1.0	-42.93	345.43	8.39	-34.54
CC(C)(C)C1=CC=C(C(NCC2=CC=C(S(N)(=O)=O)O2)C(=O)[O-])C=C1	REAL300018585837	0	46	-1.0	-59.97	390.04	3.34	-56.63
CCC1=CNC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300018585841	0	47	-1.0	-57.98	375.40	8.30	-49.68
CC(C)(C)C1=CC=C(C(NCC2=CC3=CN=CC=C3O2)C(=O)[O-])C=C1	REAL300018585843	0	46	-1.0	-49.08	372.76	8.93	-40.15
CC(C)(C)C1=CC=C(C(NCC2=CC=C(C(F)(F)F)S2)C(=O)[O-])C=C1	REAL300018585844	0	44	-1.0	-44.63	381.94	10.49	-34.14
CC1=C2C=C(CNC(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)NC2=CC=C1	REAL300018585845	0	51	-1.0	-51.93	405.47	10.80	-41.13
CC1=C(C)NC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300018585849	0	47	-1.0	-53.42	371.24	8.00	-45.42
CC(C)(C)C1=CC=C(C(NCC2=NC=C(Br)S2)C(=O)[O-])C=C1	REAL300018585855	0	40	-1.0	-45.29	358.87	8.15	-37.14
CN1C=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(C(F)F)=N1	REAL300018585858	1	47	-1.0	-52.40	382.79	8.95	-43.45
CC(NC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018585860	0	56	-1.0	-50.21	433.22	12.49	-37.72
CC(C)(C)C1=CC=C(C(NCC2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])C=C1	REAL300018585865	1	49	-1.0	-55.26	406.90	5.16	-50.10
CCCN1N=CC=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585866	0	50	-1.0	-49.84	391.90	9.48	-40.36
CC1=CC=C2C=C(CNC(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)NC2=C1	REAL300018585867	0	51	-1.0	-51.84	405.93	10.81	-41.03
CC(C)(C)C1=CC=C(C(NCC2=NN3CCCC3=C2)C(=O)[O-])C=C1	REAL300018585869	0	48	-1.0	-57.27	376.71	8.65	-48.62
CC(C)(C)C1=CC=C(C(NCC2=NC=C(C(F)(F)F)S2)C(=O)[O-])C=C1	REAL300018585870	0	43	-1.0	-41.79	375.79	8.45	-33.34
CC(C)(C)C1=CC=C(C(NCC2=CC3=CC=CN=C3O2)C(=O)[O-])C=C1	REAL300018585873	0	46	-1.0	-55.34	372.80	7.61	-47.73
CC(C)(C)C1=CC=C(C(NCC2=CC3=CC(F)=CC=C3O2)C(=O)[O-])C=C1	REAL300018585880	0	47	-1.0	-47.81	385.51	10.75	-37.06
CN(C)CC1=NC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CS1	REAL300018585884	0	51	-1.0	-51.88	412.71	6.83	-45.05
CC1=C(Br)C=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300018585889	0	44	-1.0	-49.68	385.26	10.71	-38.97
CC(C)(C)C1=CC=C(C(NCC2=CC(C3=CC=CC=N3)=NN2)C(=O)[O-])C=C1	REAL300018585897	0	50	-1.0	-55.00	408.62	8.50	-46.50
CC1CCC2=C(C1)SC(CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)=N2	REAL300018585905	0	53	-1.0	-48.13	420.54	10.51	-37.62
CCC1=CN=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300018585906	0	46	-1.0	-49.44	380.82	8.94	-40.50
CC(C)(C)C1=CC=C(C(NCC2=NOC(C3CCC3)=C2)C(=O)[O-])C=C1	REAL300018585915	0	50	-1.0	-47.27	396.24	10.43	-36.84
CC(C)(C)C1=CC=C(C(NCC2=NOC(C3(C)CC3)=C2)C(=O)[O-])C=C1	REAL300018585916	0	50	-1.0	-52.37	398.80	10.30	-42.07
CC(C)(C)C1=CC=C(C(NCC2=CN=C3CCCCCN23)C(=O)[O-])C=C1	REAL300018585920	0	54	-1.0	-50.03	408.40	10.67	-39.36
COC1=CC=C2SC(CNC(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)=CC2=C1	REAL300018585921	1	51	-1.0	-52.84	419.57	11.04	-41.80
CC(C)(C)C1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=NO2)C(=O)[O-])C=C1	REAL300018585922	0	50	-1.0	-53.59	407.35	11.44	-42.15
CC(C)(C)C1=CC=C(C(NCC2=CN=C(C3CCOCC3)O2)C(=O)[O-])C=C1	REAL300018585932	0	54	-1.0	-52.03	424.66	6.74	-45.29
CC(C)(C)C1=CC=C(C(NCC2=NOC(C3CC3)=C2)C(=O)[O-])C=C1	REAL300018585933	0	47	-1.0	-52.12	378.73	9.87	-42.25
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)NN=C1C(F)(F)F	REAL300018585937	1	47	-1.0	-44.98	390.16	8.12	-36.86
CC(C)(C)C1=CC=C(C(NCC2=NC(C3CC3)=CS2)C(=O)[O-])C=C1	REAL300018585940	0	47	-1.0	-48.59	386.96	9.44	-39.15
CC(C)(C)C1=CC=C(C(NCC2=CN(CC3CC3)N=N2)C(=O)[O-])C=C1	REAL300018585941	0	50	-1.0	-48.80	400.63	9.08	-39.72
CC(C)(C)C1=CC=C(C(NCC2=NC3=C(CCCC3)N2)C(=O)[O-])C=C1	REAL300018585943	0	51	-1.0	-48.24	394.05	9.26	-38.98
CCN1C=CC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300018585950	0	47	-1.0	-55.76	375.63	8.73	-47.03
CC(C)(C)C1=CC=C(C(NCC2=CC=C(CC3CC3)S2)C(=O)[O-])C=C1	REAL300018585951	0	51	-1.0	-46.54	416.29	12.43	-34.11
CC(C)(C)C1=CC=C(C(NCC2=CC=C(OC(F)(F)F)C=C2F)C(=O)[O-])C=C1	REAL300018585953	1	48	-1.0	-51.83	404.24	10.03	-41.80
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)OC2=CC=C(F)C=C12	REAL300018585958	0	50	-1.0	-48.47	405.93	11.37	-37.10
CN1N=C(C2=CC=CC=C2)C=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585960	0	54	-1.0	-49.88	432.71	11.34	-38.54
CCCN1C=CC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300018585961	0	50	-1.0	-55.61	397.12	9.49	-46.12
CC(C)N1C=CC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300018585962	0	50	-1.0	-55.45	394.28	9.24	-46.21
CC(C)(C)C1=CC=C(C(NCC2=NN(CC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300018585964	0	47	-1.0	-58.08	393.50	9.23	-48.85
CN1C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=NC2=C1CCCC2	REAL300018585965	0	54	-1.0	-56.12	413.96	10.82	-45.30
CC1=CC=CC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300018585966	0	46	-1.0	-58.23	369.19	9.02	-49.21
CC(C)(C)C1=CC=C(C(NCC2=CC3=CC=CC=C3C=N2)C(=O)[O-])C=C1	REAL300018585967	0	49	-1.0	-55.24	393.58	10.69	-44.55
COC1=NC(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC=C1C	REAL300018585968	0	50	-1.0	-53.09	398.53	7.55	-45.54
CC(C)(C)C1=CC=C(C(NCC2=CC=CC(C(F)F)=C2F)C(=O)[O-])C=C1	REAL300018585969	1	47	-1.0	-58.34	388.27	11.14	-47.20
CCOC1=CC=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585971	1	51	-1.0	-52.64	419.44	11.04	-41.60
CC(C)(C)C1=CC=C(C(NCC2=CC3=C(CCCC3)O2)C(=O)[O-])C=C1	REAL300018585972	0	51	-1.0	-50.62	395.50	10.98	-39.64
CCC(C)N1N=CC=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585973	0	53	-1.0	-49.77	413.99	9.97	-39.80
CN1C=C(Br)N=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585977	0	44	-1.0	-46.55	373.75	9.13	-37.42
CC(C)(C)C1=CC=C(C(NCC2=NC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300018585979	0	46	-1.0	-53.55	382.90	9.60	-43.95
CCCN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585983	0	50	-1.0	-47.17	394.17	11.23	-35.94
CCC1=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=NN1CC	REAL300018585987	0	53	-1.0	-54.76	411.71	10.20	-44.56
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(C(F)(F)F)=CO1	REAL300018585988	1	47	-1.0	-46.93	391.94	9.91	-37.02
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)SC2=CC(F)=CC=C12	REAL300018585999	1	50	-1.0	-52.14	413.23	12.41	-39.73
CC(C)(C)C1=CC=C(C(NCC2=CC(C3=CC=NC=C3)=NN2)C(=O)[O-])C=C1	REAL300018586000	0	50	-1.0	-48.83	407.05	8.43	-40.40
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C(Cl)=C1OC	REAL300018586638	1	49	-1.0	-53.73	411.73	9.59	-44.14
CC(C)C1=CC=C(C(NCC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])C=C1	REAL300018586639	0	48	-1.0	-48.36	402.48	12.41	-35.95
CC(C)C1=CC=C(C(NCC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300018586640	1	44	-1.0	-52.93	373.80	11.43	-41.50
CC(C)C1=CC=C(C(NCC2=CSC([N+](=O)[O-])=C2)C(=O)[O-])C=C1	REAL300018586646	0	40	-1.0	-42.58	355.15	9.59	-32.99
COC1=CC=C(Br)C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586651	1	45	-1.0	-49.37	380.63	9.68	-39.69
CC(C)C1=CC=C(C(NCC2=CC=C(F)C=C2Br)C(=O)[O-])C=C1	REAL300018586659	1	41	-1.0	-45.28	357.66	10.35	-34.93
CCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300018586670	1	44	-1.0	-46.47	368.71	10.47	-36.00
CC(C)C1=CC=C(C(NCC2=NC3=CC=CC=C3N2C)C(=O)[O-])C=C1	REAL300018586671	0	47	-1.0	-55.26	381.68	10.11	-45.15
CC1=NN(C)C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586678	0	44	-1.0	-50.39	359.25	7.97	-42.42
CC(C)C1=CC=C(C(NCC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])C=C1	REAL300018586680	1	44	-1.0	-59.00	376.01	8.96	-50.04
CC(C)C1=CC=C(C(NCC2=CN(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300018586691	0	50	-1.0	-53.70	399.21	9.69	-44.01
CC(C)C1=CC=C(C(NCC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(=O)[O-])C=C1	REAL300018586694	0	48	-1.0	-49.98	421.03	13.15	-36.83
CC(C)C1=CC=C(C(NCC2=CSC(C3=CC=CC=N3)=N2)C(=O)[O-])C=C1	REAL300018586701	0	46	-1.0	-65.44	395.61	8.77	-56.67
COC1=NC=C(Br)C=C1CNC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586702	1	44	-1.0	-49.31	383.89	7.19	-42.12
COC1=NC=CC=C1CNC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586703	1	44	-1.0	-52.16	362.62	6.58	-45.58
CC(C)C1=CC=C(C(NCC2=CC=C(Br)C=N2)C(=O)[O-])C=C1	REAL300018586704	1	40	-1.0	-53.64	352.96	8.59	-45.05
CC(C)C1=CC=C(C(NCC2=CN=C(N3CCOCC3)S2)C(=O)[O-])C=C1	REAL300018586705	0	50	-1.0	-47.24	408.93	7.07	-40.17
CC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300018586708	0	40	-1.0	-50.89	343.39	7.77	-43.12
CC(C)C1=CC=C(C(NCC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1	REAL300018586709	1	47	-1.0	-56.67	380.06	9.00	-47.67
CC(C)C1=CC=C(C(NCC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1	REAL300018586710	1	50	-1.0	-55.57	398.27	9.84	-45.73
CC(C)C1=CC=C(C(NCC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1	REAL300018586713	1	49	-1.0	-47.56	404.42	11.04	-36.52
CC(C)C1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1	REAL300018586718	0	48	-1.0	-52.16	402.49	12.45	-39.71
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300018586722	0	43	-1.0	-49.15	364.62	8.58	-40.57
CC(C)C1=CC=C(C(NCC2=CN=C3C=CC=CN23)C(=O)[O-])C=C1	REAL300018586723	0	44	-1.0	-52.27	363.49	10.26	-42.01
CC(C)C1=CC=C(C(NCC2=CN=C(N(C)C)S2)C(=O)[O-])C=C1	REAL300018586724	0	45	-1.0	-52.69	377.57	8.86	-43.83
CC1=CC=C(C2=NC(CNC(C(=O)[O-])C3=CC=C(C(C)C)C=C3)=CS2)C=C1	REAL300018586726	0	50	-1.0	-49.27	421.36	11.26	-38.01
CC(C)C1=NC(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CS1	REAL300018586727	0	46	-1.0	-52.20	381.94	8.79	-43.41
CC(C)C1=CC=C(C(NCC2=CSC(C3CC3)=N2)C(=O)[O-])C=C1	REAL300018586728	0	44	-1.0	-48.59	371.57	9.02	-39.57
CC(C)C1=CC=C(C(NCC2=CSC(COC3=CC=CC=C3)=N2)C(=O)[O-])C=C1	REAL300018586729	0	51	-1.0	-55.15	430.61	10.05	-45.10
CCC1=NC(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CS1	REAL300018586730	0	43	-1.0	-51.92	362.22	8.23	-43.69
CC(C)C1=CC=C(C(NCC2=CSC(C(C)(C)C)=N2)C(=O)[O-])C=C1	REAL300018586738	0	49	-1.0	-48.80	401.96	9.30	-39.50
CC(C)C1=CC=C(C(NCC2=CSC(C3=CSC=C3)=N2)C(=O)[O-])C=C1	REAL300018586739	0	44	-1.0	-53.30	391.12	9.49	-43.81
CC(C)C1=CC=C(C(NCC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])C=C1	REAL300018586740	0	48	-1.0	-50.90	410.95	12.66	-38.24
CC(C)C1=CC=C(C(NCC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])C=C1	REAL300018586743	1	44	-1.0	-49.81	378.95	10.76	-39.05
CC(C)C1=CC=C(C(NCC2=CN=C(C(C)(C)C)S2)C(=O)[O-])C=C1	REAL300018586744	0	49	-1.0	-49.60	403.27	9.66	-39.94
CC1=CC(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C(C)S1	REAL300018586746	0	44	-1.0	-48.22	365.42	10.33	-37.89
CC1=CC=C(C2=CC=C(CNC(C(=O)[O-])C3=CC=C(C(C)C)C=C3)S2)C=C1	REAL300018586747	1	51	-1.0	-49.84	424.50	13.21	-36.63
COC1=C(Cl)C=C(Cl)C=C1CNC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586748	1	45	-1.0	-46.03	397.70	10.18	-35.85
CC(C)C1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=NN2)C(=O)[O-])C=C1	REAL300018586759	0	48	-1.0	-50.09	396.08	9.73	-40.36
CCN1C=CN=C1CNC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586760	0	44	-1.0	-53.24	355.92	8.99	-44.25
CC(C)C1=CC=C(C(NCC2=CN(C3=CC=CC=C3)N=N2)C(=O)[O-])C=C1	REAL300018586762	0	47	-1.0	-56.82	387.08	9.57	-47.25
CC(C)C1=CC=C(C(NCC2=NC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1	REAL300018586763	0	47	-1.0	-48.54	398.34	10.53	-38.01
CC(C)C1=CC=C(C(NCC2=CN=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1	REAL300018586766	0	47	-1.0	-51.91	401.73	10.84	-41.07
COC1=CC(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C2OC(C)CC2=C1	REAL300018586767	1	53	-1.0	-54.78	423.09	9.70	-45.08
CC(C)C1=CC=C(C(NCC2=NN(C)C3=CC=CC=C32)C(=O)[O-])C=C1	REAL300018586768	0	47	-1.0	-57.58	385.29	9.75	-47.83
CC(C)C1=CC=C(C(NCC2=NNC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300018586769	0	44	-1.0	-49.74	362.34	8.38	-41.36
CC(C)C1=CC=C(C(NCC2=C3C=CC=CC3=NN2)C(=O)[O-])C=C1	REAL300018586769	1	44	-1.0	-50.17	363.59	8.45	-41.72
CC(C)C1=CC=C(C(NCC2=NC=CN2CC(F)(F)F)C(=O)[O-])C=C1	REAL300018586771	0	44	-1.0	-53.25	371.38	9.25	-44.00
CC1=NSC(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586775	0	40	-1.0	-50.19	342.98	8.29	-41.90
CC(C)C1=CC=C(C(NCC2=COC(C3=CC=CC=C3)=N2)C(=O)[O-])C=C1	REAL300018586776	0	47	-1.0	-49.63	391.91	8.18	-41.45
CC(C)C1=CC=C(C(NCC2=CSC(C3=CC=CS3)=N2)C(=O)[O-])C=C1	REAL300018586777	0	44	-1.0	-55.02	391.72	9.58	-45.44
CC1=CSC(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=N1	REAL300018586779	0	40	-1.0	-46.94	341.83	7.49	-39.45
CC(C)C1=CC=C(C(NCC2=CC=C(Br)C=C2Cl)C(=O)[O-])C=C1	REAL300018586781	1	41	-1.0	-45.19	368.26	10.81	-34.38
CC(C)C1=CC=C(C(NCC2=CN=C(N(C)C)N2C)C(=O)[O-])C=C1	REAL300018586783	0	49	-1.0	-48.79	395.31	8.89	-39.90
CC(C)C1=CC=C(C(NCC2=NC(C3=CC=CC=C3)=CN2)C(=O)[O-])C=C1	REAL300018586784	0	48	-1.0	-60.75	394.27	10.16	-50.59
COC1=CC2=C(C=C1CNC(C(=O)[O-])C1=CC=C(C(C)C)C=C1)OCO2	REAL300018586795	1	48	-1.0	-53.95	391.00	7.82	-46.13
COC1=CC(Cl)=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1OC	REAL300018586796	1	49	-1.0	-51.09	407.36	9.48	-41.61
COC1=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)SC=C1	REAL300018586797	0	42	-1.0	-56.05	356.57	8.28	-47.77
CC(C)C1=CC=C(C(NCC2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1	REAL300018586805	0	47	-1.0	-47.73	382.70	9.49	-38.24
CC(C)C1=CC=C(C(NCC2=CC=NC=C2Br)C(=O)[O-])C=C1	REAL300018586806	1	40	-1.0	-48.21	349.45	8.58	-39.63
CC(C)C1=CC=C(C(NCC2=CC=NC=C2Cl)C(=O)[O-])C=C1	REAL300018586807	1	40	-1.0	-49.47	346.40	8.46	-41.01
CC1=CC(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=NN1C	REAL300018586809	0	44	-1.0	-59.46	359.01	8.00	-51.46
CCC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=N1	REAL300018586811	1	45	-1.0	-45.40	368.21	8.34	-37.06
CCN1C=NC=C1CNC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586813	0	44	-1.0	-47.00	356.69	10.09	-36.91
CC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)N1C	REAL300018586814	0	44	-1.0	-54.48	357.65	8.86	-45.62
CC1=C(Br)SC(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586816	0	41	-1.0	-47.02	368.19	10.24	-36.78
CC(C)C1=CC=C(C(NCC2=CN=C3CCCN23)C(=O)[O-])C=C1	REAL300018586817	0	45	-1.0	-49.51	360.18	9.34	-40.17
CC(C)C1=CC=C(C(NCC2=CC=C(F)C=N2)C(=O)[O-])C=C1	REAL300018586819	0	40	-1.0	-53.56	337.81	8.12	-45.44
CC1=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)SC=N1	REAL300018586820	0	40	-1.0	-49.11	340.62	7.64	-41.47
CC(C)C1=CC=C(C(NCC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300018586823	1	51	-1.0	-48.69	408.05	9.83	-38.86
CC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C(Cl)=C1	REAL300018586825	1	44	-1.0	-48.72	368.38	10.86	-37.86
CC1=CC=C(C2=NC=C(CNC(C(=O)[O-])C3=CC=C(C(C)C)C=C3)S2)C=C1	REAL300018586829	0	50	-1.0	-51.76	423.12	11.51	-40.25
CC(C)C1=CC=C(C(NCC2=CC=C([N+](=O)[O-])C=C2Cl)C(=O)[O-])C=C1	REAL300018586833	1	43	-1.0	-44.89	376.60	11.02	-33.87
CC(C)C1=CC=C(C(NCC2=CC=C(C3=C(F)C=CC=C3F)O2)C(=O)[O-])C=C1	REAL300018586834	0	48	-1.0	-59.94	411.39	11.88	-48.06
CC1=CC(F)=CC=C1C1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)O1	REAL300018586835	0	51	-1.0	-48.50	421.37	12.39	-36.11
CCC1=CC=C(C2=CC=C(CNC(C(=O)[O-])C3=CC=C(C(C)C)C=C3)O2)C=C1	REAL300018586836	0	54	-1.0	-51.73	437.31	13.08	-38.65
COCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)O1	REAL300018586844	0	45	-1.0	-48.14	371.57	7.76	-40.38
CC1=NC(C)=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)O1	REAL300018586853	0	43	-1.0	-49.24	353.29	5.90	-43.34
COCC1=CSC(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586854	0	45	-1.0	-48.14	380.78	8.58	-39.56
CCCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300018586855	0	47	-1.0	-47.38	389.27	11.21	-36.17
CC(C)C1=CC=C(C(NCC2=NC=CN2C(C)C)C(=O)[O-])C=C1	REAL300018586856	0	47	-1.0	-47.42	375.97	9.60	-37.82
CC1=CC(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CS1	REAL300018586860	0	41	-1.0	-50.58	348.56	9.57	-41.01
CC(C)C1=CC=C(C(NCC2=C3OC=CC3=CC=C2)C(=O)[O-])C=C1	REAL300018586861	0	44	-1.0	-58.10	363.80	10.19	-47.91
CC(C)C1=CC=C(C(NCC2=NN(C3=CC=CC=C3)C=C2)C(=O)[O-])C=C1	REAL300018586862	0	48	-1.0	-61.70	395.54	10.95	-50.75
CC(C)C1=CC=C(C(NCC2=CN=C(C(F)(F)F)S2)C(=O)[O-])C=C1	REAL300018586863	0	40	-1.0	-45.46	362.52	8.27	-37.19
CC(C)C1=CC=C(C(NCC2=NN3CCCCC3=C2)C(=O)[O-])C=C1	REAL300018586865	0	48	-1.0	-55.98	379.84	9.10	-46.88
COC1=NC=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300018586867	0	41	-1.0	-48.70	354.21	5.42	-43.28
CC(C)C1=CC=C(C(NCC2=CC3=C(C=N2)OCCO3)C(=O)[O-])C=C1	REAL300018586870	0	46	-1.0	-56.63	376.08	7.18	-49.45
CC1=CC=CN2C(CNC(C(=O)[O-])C3=CC=C(C(C)C)C=C3)=CN=C12	REAL300018586873	0	47	-1.0	-51.92	384.70	10.92	-41.00
CCN1N=CN=C1CNC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586874	0	43	-1.0	-48.42	351.27	8.88	-39.54
CC(C)C1=CC=C(C(NCC2=CN=C(Cl)N2C)C(=O)[O-])C=C1	REAL300018586875	1	41	-1.0	-49.16	352.79	8.73	-40.43
CC(C)C1=CC=C(C(NCC2=CN=C(Br)N2C)C(=O)[O-])C=C1	REAL300018586876	1	41	-1.0	-49.55	357.08	8.76	-40.79
CC(C)C1=CC=C(C(NCC2=CN(C3=CC=C(F)C=C3)N=N2)C(=O)[O-])C=C1	REAL300018586877	0	47	-1.0	-54.68	393.49	9.64	-45.04
CC(C)C1=CC=C(C(NCC2=CC(C(F)(F)F)=NN2)C(=O)[O-])C=C1	REAL300018586878	1	41	-1.0	-44.30	357.49	7.22	-37.08
CC1=CN=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)N1C	REAL300018586879	0	44	-1.0	-58.77	356.97	8.68	-50.09
CCOC1=CC=CC(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=N1	REAL300018586882	0	47	-1.0	-47.47	384.14	7.37	-40.10
CC(C)C1=CC=C(C(NCC2=CC3=CC=NC=C3S2)C(=O)[O-])C=C1	REAL300018586884	1	43	-1.0	-47.43	367.37	9.52	-37.91
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CC(C)C1=CC=C(C(NCC2=NC(Cl)=CS2)C(=O)[O-])C=C1	REAL300018586906	0	37	-1.0	-46.09	338.42	7.39	-38.70
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CC(C)C1=CC=C(C(NCC2=NC=CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300018586908	0	46	-1.0	-53.91	371.91	10.04	-43.87
CC(C)C1=CC=C(C(NCC2=CN=C(C3CC3)O2)C(=O)[O-])C=C1	REAL300018586916	0	44	-1.0	-52.33	364.06	7.14	-45.19
CC(C)C1=CC=C(C(NCC2=NC3=CC=C(F)C=C3S2)C(=O)[O-])C=C1	REAL300018586918	0	43	-1.0	-48.63	373.20	9.31	-39.32
CC(C)C1=CC=C(C(NCC2=CC(C3CC3)=NN2C)C(=O)[O-])C=C1	REAL300018586923	0	48	-1.0	-45.07	387.41	9.45	-35.62
CC(C)C1=CC=C(C(NCC2=CC=NN2CC2CC2)C(=O)[O-])C=C1	REAL300018586929	0	48	-1.0	-50.06	386.38	9.87	-40.19
CC(C)C1=CC=C(C(NCC2=CC=C(S(N)(=O)=O)O2)C(=O)[O-])C=C1	REAL300018586932	0	43	-1.0	-59.23	372.76	2.97	-56.26
CCC1=CNC(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=N1	REAL300018586936	0	44	-1.0	-57.78	359.43	7.91	-49.87
CC(C)C1=CC=C(C(NCC2=CC3=CN=CC=C3O2)C(=O)[O-])C=C1	REAL300018586938	0	43	-1.0	-48.53	359.04	8.67	-39.86
CC1=C2C=C(CNC(C(=O)[O-])C3=CC=C(C(C)C)C=C3)NC2=CC=C1	REAL300018586940	0	48	-1.0	-51.81	389.51	10.39	-41.42
CC1=C(C)NC(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=N1	REAL300018586944	0	44	-1.0	-47.75	356.20	7.65	-40.10
CC(C)C1=CC=C(C(NCC2=NC=C(Br)S2)C(=O)[O-])C=C1	REAL300018586949	0	37	-1.0	-45.11	342.89	7.76	-37.35
CC(C)C1=CC=C(C(NCC2=CN(C)N=C2C(F)F)C(=O)[O-])C=C1	REAL300018586952	1	44	-1.0	-52.21	366.83	8.53	-43.68
CC(C)C1=CC=C(C(NC(C)C2=CC=C(C3=CC=CC=C3)C=N2)C(=O)[O-])C=C1	REAL300018586954	0	53	-1.0	-51.09	419.25	12.15	-38.94
CC(C)C1=CC=C(C(NCC2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])C=C1	REAL300018586959	1	46	-1.0	-54.65	390.61	4.82	-49.83
CCCN1N=CC=C1CNC(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586960	0	47	-1.0	-45.79	380.13	9.13	-36.66
CC1=CC=C2C=C(CNC(C(=O)[O-])C3=CC=C(C(C)C)C=C3)NC2=C1	REAL300018586961	0	48	-1.0	-51.36	389.71	10.47	-40.89
CC(C)C1=CC=C(C(NCC2=NN3CCCC3=C2)C(=O)[O-])C=C1	REAL300018586963	0	45	-1.0	-57.05	360.73	8.26	-48.79
CC(C)C1=CC=C(C(NCC2=NC=C(C(F)(F)F)S2)C(=O)[O-])C=C1	REAL300018586964	0	40	-1.0	-41.62	359.82	8.06	-33.56
CC(C)C1=CC=C(C(NCC2=CC3=CC=CN=C3O2)C(=O)[O-])C=C1	REAL300018586967	0	43	-1.0	-55.19	356.83	7.22	-47.97
CC(C)C1=CC=C(C(NCC2=CC3=CC(F)=CC=C3O2)C(=O)[O-])C=C1	REAL300018586975	0	44	-1.0	-47.66	369.54	10.35	-37.31
CC(C)C1=CC=C(C(NCC2=CC3=C(C=C2OC(F)F)OCO3)C(=O)[O-])C=C1	REAL300018586977	1	48	-1.0	-53.53	400.69	8.10	-45.43
COC1=CC=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C(Br)=C1	REAL300018586978	1	45	-1.0	-50.16	381.58	9.57	-40.59
CC(C)C1=CC=C(C(NCC2=CSC(CN(C)C)=N2)C(=O)[O-])C=C1	REAL300018586981	0	48	-1.0	-53.51	396.46	6.25	-47.26
CC1=C(Br)C=C(CNC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300018586987	0	41	-1.0	-44.74	367.68	10.29	-34.45
CC(C)C1=CC=C(C(NCC2=CC(C3=CC=CC=N3)=NN2)C(=O)[O-])C=C1	REAL300018586996	0	47	-1.0	-51.07	391.43	7.99	-43.08
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CC(C)N1C2=CC=CC=C2N=C1CNCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588406	1	54	-1.0	-70.17	434.68	12.43	-57.74
COC1=NC=CC=C1CNCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588407	1	45	-1.0	-53.80	378.99	7.64	-46.16
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CCCN1C2=CC=CC=C2N=C1CNCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588416	1	54	-1.0	-58.69	443.51	12.88	-45.81
CC(C)C1=NC(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300018588430	0	47	-1.0	-55.29	400.72	9.92	-45.37
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CC(C)(C)C1=NC(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300018588438	0	50	-1.0	-55.58	419.65	10.43	-45.15
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CCN1C=CN=C1CNCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588450	1	45	-1.0	-67.10	371.11	10.14	-56.96
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CN1C=CC(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588459	1	42	-1.0	-61.59	355.90	8.59	-53.00
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CC1=CSC(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588468	1	41	-1.0	-61.73	359.54	8.63	-53.10
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COC1=CC2=C(C=C1CNCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)OCO2	REAL300018588485	1	49	-1.0	-57.11	407.47	8.83	-48.28
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CC1=CC(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=NN1C	REAL300018588500	1	45	-1.0	-58.34	375.32	9.06	-49.28
CC1=CC(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=NO1	REAL300018588505	0	41	-1.0	-60.76	348.07	8.99	-51.77
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CC1=NOC(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588518	1	41	-1.0	-64.40	349.81	9.07	-55.33
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COCC1=CC=C(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)O1	REAL300018588537	1	46	-1.0	-58.23	389.28	8.90	-49.33
CC1=CN=C(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)O1	REAL300018588542	0	41	-1.0	-56.63	348.55	6.40	-50.23
CC1=CNC(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588544	1	42	-1.0	-66.89	354.37	8.23	-58.66
CC1=NC(C)=C(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)O1	REAL300018588549	1	44	-1.0	-61.06	370.89	7.01	-54.05
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CC(C)N1C=CN=C1CNCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588554	1	48	-1.0	-62.43	392.00	10.66	-51.77
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COC1=NC=C(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)S1	REAL300018588566	1	42	-1.0	-55.28	368.66	6.45	-48.83
CC1=NC=CN=C1CNCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588568	1	43	-1.0	-58.11	358.37	7.67	-50.44
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CCN1N=CN=C1CNCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588574	0	44	-1.0	-62.14	367.88	9.99	-52.15
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CC1=CN=C(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)N1C	REAL300018588577	1	45	-1.0	-68.06	373.21	9.73	-58.33
CCOC1=CC=CC(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588580	1	48	-1.0	-57.24	400.32	8.43	-48.81
CC1=C(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)SN=N1	REAL300018588594	1	40	-1.0	-56.68	350.33	8.00	-48.68
CN1C=C(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300018588604	1	44	-1.0	-55.32	381.00	10.19	-45.13
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COC1=NSC(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588606	1	42	-1.0	-56.26	368.46	6.76	-49.50
COC1=CC=CC(Cl)=C1CNCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588608	1	46	-1.0	-56.86	395.19	10.61	-46.25
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CC(C)OC1=CC=C(F)C=C1CNCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588619	1	52	-1.0	-53.82	425.32	12.25	-41.57
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CN1N=CN=C1CNCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588635	0	41	-1.0	-56.25	347.42	9.12	-47.13
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CCC1=CNC(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588640	1	45	-1.0	-54.99	375.73	8.97	-46.02
CC1=C(C)NC(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588648	1	45	-1.0	-67.20	374.11	8.75	-58.45
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CN(C)CC1=NC(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300018588681	0	49	-1.0	-55.70	415.51	7.57	-48.13
CC1CCC2=C(C1)SC(CNCC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)=N2	REAL300018588696	1	51	-1.0	-52.88	420.59	11.20	-41.68
CCC1=CN=C(CNCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)S1	REAL300018588697	1	44	-1.0	-61.65	381.14	9.61	-52.04
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CC1(C2=CC(CNCC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)=NO2)CC1	REAL300018588707	0	48	-1.0	-54.98	400.54	11.05	-43.93
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CN(C)CC1=NC(CNC2CC3=CC=C(C(=O)[O-])C=C3C2)=CS1	REAL300018590744	1	43	-1.0	-52.55	363.80	5.36	-47.19
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CC1(C2=CC(CNC3CC4=CC=C(C(=O)[O-])C=C4C3)=NO2)CC1	REAL300018590792	1	42	-1.0	-53.53	348.83	8.84	-44.69
O=C([O-])C1=CC=C2CC(NCC3=CN(CC4CC4)N=N3)CC2=C1	REAL300018590816	1	42	-1.0	-56.88	350.28	7.58	-49.30
CS(=O)(=O)N[C@H]1CCN(CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)C1	REAL300018590960	0	44	-1.0	-62.91	372.62	4.18	-58.73
CC1=C(C(=O)[O-])C=C(CN2CC[C@H](NS(C)(=O)=O)C2)O1	REAL300018590961	0	37	-1.0	-60.69	316.92	0.59	-60.10
CS(=O)(=O)N[C@H]1CCN(CC2=CN(CC(=O)[O-])N=N2)C1	REAL300018590962	0	36	-1.0	-57.45	313.89	-1.40	-58.85
CS(=O)(=O)N[C@H]1CCN(CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018590963	0	44	-1.0	-58.38	376.39	3.52	-54.86
CS(=O)(=O)N[C@H]1CCN(CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018590964	0	44	-1.0	-58.38	376.39	3.52	-54.86
CS(=O)(=O)N[C@H]1CCN(CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])C1	REAL300018590965	0	44	-1.0	-66.88	373.28	2.77	-64.11
CC1=CC(CN2CC[C@H](NS(C)(=O)=O)C2)=CC(C)=C1OCC(=O)[O-]	REAL300018590966	1	47	-1.0	-58.52	388.16	3.30	-55.22
CC1=NN(CCC(=O)[O-])C(C)=C1CN1CC[C@H](NS(C)(=O)=O)C1	REAL300018590967	0	46	-1.0	-54.74	374.39	1.22	-53.52
CS(=O)(=O)N[C@H]1CCN(CC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018590968	0	41	-1.0	-57.06	344.10	1.76	-55.30
CS(=O)(=O)N[C@H]1CCN(CC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018590969	0	41	-1.0	-57.06	344.10	1.76	-55.30
CS(=O)(=O)N[C@H]1CCN(CC2=CSC(C(=O)[O-])=C2)C1	REAL300018590970	0	34	-1.0	-56.92	306.60	0.72	-56.20
CC(OC1=CC=C(CN2CC[C@H](NS(C)(=O)=O)C2)C=C1)C(=O)[O-]	REAL300018590971	0	44	-1.0	-58.26	361.98	2.35	-55.91
COC1=C2OC(C(=O)[O-])=CC2=C(CN2CC[C@H](NS(C)(=O)=O)C2)C=C1	REAL300018590972	0	44	-1.0	-61.98	375.21	1.63	-60.35
CS(=O)(=O)N[C@H]1CCN(CC2=CC=C(C=CC(=O)[O-])O2)C1	REAL300018590973	0	38	-1.0	-64.80	327.25	-0.57	-65.37
CC1=C(CN2CC[C@H](NS(C)(=O)=O)C2)C=C(C(=O)[O-])O1	REAL300018590974	0	37	-1.0	-61.24	320.39	0.83	-60.41
CC1=C(C(=O)[O-])OC(CN2CC[C@H](NS(C)(=O)=O)C2)=C1	REAL300018590975	0	37	-1.0	-61.87	310.78	0.43	-61.44
CS(=O)(=O)N[C@H]1CCN(CC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300018590976	0	37	-1.0	-60.27	328.98	2.05	-58.22
CS(=O)(=O)N[C@H]1CCN(CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)C1	REAL300018590977	0	40	-1.0	-57.31	345.69	3.46	-53.85
CN1C=C(CN2CC[C@H](NS(C)(=O)=O)C2)C(C(=O)[O-])=N1	REAL300018590978	0	37	-1.0	-64.58	318.08	-0.43	-65.01
CS(=O)(=O)N[C@H]1CCN(CC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300018590979	0	37	-1.0	-59.31	332.72	2.15	-57.16
CCC1=C(C(=O)[O-])C=C(CN2CC[C@H](NS(C)(=O)=O)C2)O1	REAL300018590980	0	40	-1.0	-61.23	336.79	1.32	-59.91
CS(=O)(=O)N[C@H]1CCN(CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)C1	REAL300018590981	0	47	-1.0	-65.79	393.29	4.71	-61.08
CN1N=C(C(=O)[O-])C=C1CN1CC[C@H](NS(C)(=O)=O)C1	REAL300018590982	0	37	-1.0	-68.38	317.07	-0.80	-69.18
CS(=O)(=O)N[C@H]1CCN(CC2=CC=C(CCC(=O)[O-])O2)C1	REAL300018590983	0	40	-1.0	-55.14	334.85	1.25	-53.89
CS(=O)(=O)N[C@H]1CCN(CC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300018590984	0	37	-1.0	-65.22	321.03	1.69	-63.53
CS(=O)(=O)N[C@H]1CCN(CC2=CC3=C(S2)SC(C(=O)[O-])=C3)C1	REAL300018590985	0	37	-1.0	-58.41	341.93	2.22	-56.19
CS(=O)(=O)N[C@H]1CCN(CC2=CN3N=CC(C(=O)[O-])=C3N=C2)C1	REAL300018590986	0	39	-1.0	-71.74	330.00	-0.03	-71.77
CC(OC1=CC=C(Cl)C=C1CN1CC[C@H](NS(C)(=O)=O)C1)C(=O)[O-]	REAL300018590987	0	44	-1.0	-56.34	379.80	2.95	-53.39
CS(=O)(=O)N[C@H]1CCN(CC2=C(F)C=C(C(=O)[O-])C=C2F)C1	REAL300018590988	0	37	-1.0	-50.19	314.81	1.11	-49.08
CS(=O)(=O)N[C@H]1CCN(CC2=CN=C3C=CC(C(=O)[O-])=CN23)C1	REAL300018590989	0	40	-1.0	-52.90	336.12	1.72	-51.18
CC1=CC(C(=O)[O-])=NC=C1CN1CC[C@H](NS(C)(=O)=O)C1	REAL300018590990	0	39	-1.0	-63.74	330.70	0.53	-63.21
CS(=O)(=O)N[C@H]1CCN(CC2=CC=CN3C(C(=O)[O-])=CN=C23)C1	REAL300018590991	0	40	-1.0	-65.16	340.71	0.26	-64.90
CS(=O)(=O)N[C@H]1CCN(CC2=CC=CC(C(=O)[O-])=C2Br)C1	REAL300018590992	0	37	-1.0	-54.77	329.89	2.16	-52.61
CS(=O)(=O)N[C@H]1CCN(CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)C1	REAL300018590993	0	44	-1.0	-53.41	362.30	1.30	-52.11
CS(=O)(=O)N[C@H]1CCN(CC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300018590994	0	44	-1.0	-60.44	352.35	1.02	-59.42
CS(=O)(=O)N[C@H]1CCN(CC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C1	REAL300018590995	0	40	-1.0	-57.12	345.99	2.12	-55.00
CS(=O)(=O)N[C@H]1CCN(CC2=CC(C(=O)[O-])=CC=C2O)C1	REAL300018590996	1	38	-1.0	-56.69	326.45	-1.17	-57.86
CS(=O)(=O)N[C@H]1CCN(CC2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300018590997	0	37	-1.0	-58.32	337.16	2.34	-55.98
CCOC1=CC=C(C(NCC2=CC=C(OC)C(OC)=C2Cl)C(=O)[O-])C=C1	REAL300018592420	1	47	-1.0	-46.30	401.67	7.80	-38.50
CCOC1=CC=C(C(NCC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])C=C1	REAL300018592421	0	46	-1.0	-47.43	393.59	10.70	-36.73
CCOC1=CC=C(C(NCC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300018592422	0	42	-1.0	-52.36	365.18	9.66	-42.70
CCOC1=CC=C(C(NCC2=CSC([N+](=O)[O-])=C2)C(=O)[O-])C=C1	REAL300018592428	0	38	-1.0	-42.18	346.27	7.88	-34.30
CCOC1=CC=C(C(NCC2=CC(OC)=CC=C2Br)C(=O)[O-])C=C1	REAL300018592433	1	43	-1.0	-49.40	374.09	7.95	-41.45
CCOC1=CC=C(C(NCC2=CC=C(OC)C([N+](=O)[O-])=C2)C(=O)[O-])C=C1	REAL300018592434	1	45	-1.0	-53.70	381.89	8.79	-44.91
CCOC1=CC=C(C(NCC2=CC=C(F)C=C2Br)C(=O)[O-])C=C1	REAL300018592441	1	39	-1.0	-44.58	348.77	8.63	-35.95
CCOC1=CC=C(C(NCC2=CC=C(CC)S2)C(=O)[O-])C=C1	REAL300018592452	0	42	-1.0	-50.16	361.12	8.87	-41.29
CCOC1=CC=C(C(NCC2=NC3=CC=CC=C3N2C)C(=O)[O-])C=C1	REAL300018592453	0	45	-1.0	-54.20	372.65	8.43	-45.77
CCOC1=CC=C(C(NCC2=CC(C)=NN2C)C(=O)[O-])C=C1	REAL300018592460	0	42	-1.0	-49.30	350.13	6.31	-42.99
CCOC1=CC=C(C(NCC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])C=C1	REAL300018592462	1	42	-1.0	-58.11	367.13	7.26	-50.85
CCOC1=CC=C(C(NCC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])C=C1	REAL300018592471	1	46	-1.0	-45.64	391.60	9.34	-36.30
CCOC1=CC=C(C(NCC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])C=C1	REAL300018592472	1	46	-1.0	-44.90	400.86	9.77	-35.13
CCOC1=CC=C(C(NCC2=CN(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300018592473	1	48	-1.0	-46.70	388.05	7.87	-38.83
CCOC1=CC=C(C(NCC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])C=C1	REAL300018592476	1	49	-1.0	-45.76	395.25	7.96	-37.80
CCOC1=CC=C(C(NCC2=CSC(C3=CC=CC=N3)=N2)C(=O)[O-])C=C1	REAL300018592482	0	44	-1.0	-53.25	386.50	6.99	-46.26
CCOC1=CC=C(C(NCC2=CC(Br)=CN=C2OC)C(=O)[O-])C=C1	REAL300018592483	1	42	-1.0	-47.92	374.79	5.53	-42.39
CCOC1=CC=C(C(NCC2=CC=CN=C2OC)C(=O)[O-])C=C1	REAL300018592484	1	42	-1.0	-50.68	353.52	4.93	-45.75
CCOC1=CC=C(C(NCC2=CC=C(Br)C=N2)C(=O)[O-])C=C1	REAL300018592485	1	38	-1.0	-43.82	342.53	6.86	-36.96
CCOC1=CC=C(C(NCC2=CN=C(N3CCOCC3)S2)C(=O)[O-])C=C1	REAL300018592486	0	48	-1.0	-46.49	400.06	5.35	-41.14
CCOC1=CC=C(C(NCC2=CN=C(C)S2)C(=O)[O-])C=C1	REAL300018592489	0	38	-1.0	-45.48	332.00	6.01	-39.47
CCOC1=CC=C(C(NCC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1	REAL300018592490	1	45	-1.0	-49.50	368.66	7.23	-42.27
CCOC1=CC=C(C(NCC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1	REAL300018592491	1	48	-1.0	-54.66	389.39	8.12	-46.54
CCOC1=CC=C(C(NCC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1	REAL300018592494	1	47	-1.0	-46.91	395.54	9.32	-37.59
CCOC1=CC=C(C(NCC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])C=C1	REAL300018592495	1	50	-1.0	-48.80	405.70	6.55	-42.25
CCOC1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1	REAL300018592499	0	46	-1.0	-51.20	393.62	10.74	-40.46
CCOC1=CC=C(C(NCC2=CN=C(C)N=C2)C(=O)[O-])C=C1	REAL300018592502	1	40	-1.0	-48.27	339.24	6.11	-42.16
CCOC1=CC=C(C(NCC2=CN=C(CC)S2)C(=O)[O-])C=C1	REAL300018592504	0	41	-1.0	-45.76	354.54	6.76	-39.00
CCOC1=CC=C(C(NCC2=CN=C(N(C)C)S2)C(=O)[O-])C=C1	REAL300018592506	0	43	-1.0	-48.52	368.58	7.06	-41.46
CCOC1=CC=C(C(NCC2=CSC(C3=CC=C(C)C=C3)=N2)C(=O)[O-])C=C1	REAL300018592508	0	48	-1.0	-48.36	412.47	9.55	-38.81
CCOC1=CC=C(C(NCC2=CSC(C(C)C)=N2)C(=O)[O-])C=C1	REAL300018592509	0	44	-1.0	-49.64	375.34	7.20	-42.44
CCOC1=CC=C(C(NCC2=CSC(C3CC3)=N2)C(=O)[O-])C=C1	REAL300018592510	0	42	-1.0	-55.98	364.00	7.39	-48.59
CCOC1=CC=C(C(NCC2=CSC(COC3=CC=CC=C3)=N2)C(=O)[O-])C=C1	REAL300018592511	0	49	-1.0	-51.45	424.00	8.47	-42.98
CCOC1=CC=C(C(NCC2=CSC(CC)=N2)C(=O)[O-])C=C1	REAL300018592512	0	41	-1.0	-49.64	355.61	6.64	-43.00
CCOC1=CC=C(C(NCC2=CSC(C(C)(C)C)=N2)C(=O)[O-])C=C1	REAL300018592520	0	47	-1.0	-47.58	392.93	7.63	-39.95
CCOC1=CC=C(C(NCC2=CSC(C3=CSC=C3)=N2)C(=O)[O-])C=C1	REAL300018592521	0	42	-1.0	-49.54	383.46	7.88	-41.66
CCOC1=CC=C(C(NCC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])C=C1	REAL300018592522	0	46	-1.0	-49.64	401.83	11.01	-38.63
CCOC1=CC=C(C(NCC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])C=C1	REAL300018592525	1	42	-1.0	-48.94	370.08	9.06	-39.88
CCOC1=CC=C(C(NCC2=CN=C(C(C)(C)C)S2)C(=O)[O-])C=C1	REAL300018592526	0	47	-1.0	-49.27	394.64	7.89	-41.38
CCOC1=CC=C(C(NCC2=C(C)SC(C)=C2)C(=O)[O-])C=C1	REAL300018592528	0	42	-1.0	-45.95	356.80	8.57	-37.38
CCOC1=CC=C(C(NCC2=CC=C(C3=CC=C(C)C=C3)S2)C(=O)[O-])C=C1	REAL300018592529	0	49	-1.0	-48.70	415.47	11.53	-37.17
CCOC1=CC=C(C(NCC2=CC(Cl)=CC(Cl)=C2OC)C(=O)[O-])C=C1	REAL300018592530	1	43	-1.0	-46.48	388.91	8.55	-37.93
CCOC1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=NN2)C(=O)[O-])C=C1	REAL300018592540	0	46	-1.0	-48.93	386.95	8.08	-40.85
CCOC1=CC=C(C(NCC2=NC=CN2CC)C(=O)[O-])C=C1	REAL300018592541	0	42	-1.0	-46.89	348.12	7.29	-39.60
CCOC1=CC=C(C(NCC2=CN(C3=CC=CC=C3)N=N2)C(=O)[O-])C=C1	REAL300018592543	0	45	-1.0	-56.27	379.27	7.88	-48.39
CCOC1=CC=C(C(NCC2=NC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1	REAL300018592544	0	45	-1.0	-53.07	389.48	8.80	-44.27
CCOC1=CC=C(C(NCC2=CN=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1	REAL300018592547	0	45	-1.0	-47.34	390.32	9.08	-38.26
CCOC1=CC=C(C(NCC2=CC(OC)=CC3=C2OC(C)C3)C(=O)[O-])C=C1	REAL300018592548	1	51	-1.0	-53.51	414.22	8.00	-45.51
CCOC1=CC=C(C(NCC2=NN(C)C3=CC=CC=C23)C(=O)[O-])C=C1	REAL300018592549	0	45	-1.0	-51.15	376.33	7.97	-43.18
CCOC1=CC=C(C(NCC2=NC=CN2CC(F)(F)F)C(=O)[O-])C=C1	REAL300018592552	0	42	-1.0	-46.98	363.58	7.54	-39.44
CCOC1=CC=C(C(NCC2=CC(C)=NS2)C(=O)[O-])C=C1	REAL300018592556	0	38	-1.0	-49.85	334.35	6.53	-43.32
CCOC1=CC=C(C(NCC2=COC(C3=CC=CC=C3)=N2)C(=O)[O-])C=C1	REAL300018592557	0	45	-1.0	-48.67	383.05	6.46	-42.21
CCOC1=CC=C(C(NCC2=CSC(C3=CC=CS3)=N2)C(=O)[O-])C=C1	REAL300018592558	0	42	-1.0	-57.84	384.01	7.99	-49.85
CCOC1=CC=C(C(NCC2=NC(C)=CS2)C(=O)[O-])C=C1	REAL300018592560	0	38	-1.0	-47.85	334.11	5.91	-41.94
CCOC1=CC=C(C(NCC2=CC=C(Br)C=C2Cl)C(=O)[O-])C=C1	REAL300018592562	1	39	-1.0	-44.56	359.37	9.09	-35.47
CCOC1=CC=C(C(NCC2=CN=C(N(C)C)N2C)C(=O)[O-])C=C1	REAL300018592565	0	47	-1.0	-50.91	386.19	7.20	-43.71
CCOC1=CC=C(C(NCC2=NC(C3=CC=CC=C3)=CN2)C(=O)[O-])C=C1	REAL300018592566	0	46	-1.0	-48.33	385.16	8.39	-39.94
CCOC1=CC=C(C(NCC2=CC3=C(C=C2OC)OCO3)C(=O)[O-])C=C1	REAL300018592577	1	46	-1.0	-49.70	380.73	6.03	-43.67
CCOC1=CC=C(C(NCC2=CC(OC)=C(OC)C=C2Cl)C(=O)[O-])C=C1	REAL300018592578	1	47	-1.0	-47.32	393.76	7.65	-39.67
CCOC1=CC=C(C(NCC2=C(OC)C=CS2)C(=O)[O-])C=C1	REAL300018592579	0	40	-1.0	-50.68	346.48	6.46	-44.22
CCOC1=CC=C(C(NCC2=CC=CC3=C2OC(C)(C)C3)C(=O)[O-])C=C1	REAL300018592586	1	50	-1.0	-54.11	404.85	9.39	-44.72
CCOC1=CC=C(C(NCC2=NC3=C(CCCC3)S2)C(=O)[O-])C=C1	REAL300018592587	0	45	-1.0	-46.97	373.82	7.78	-39.19
CCOC1=CC=C(C(NCC2=CC=NC=C2Br)C(=O)[O-])C=C1	REAL300018592588	0	38	-1.0	-43.40	339.87	6.85	-36.55
CCOC1=CC=C(C(NCC2=CC=NC=C2Cl)C(=O)[O-])C=C1	REAL300018592589	1	38	-1.0	-43.58	335.98	6.71	-36.87
CCOC1=CC=C(C(NCC2=NN(C)C(C)=C2)C(=O)[O-])C=C1	REAL300018592591	0	42	-1.0	-51.58	348.74	6.21	-45.37
CCOC1=CC=C(C(NCC2=CN=C(CC)N=C2)C(=O)[O-])C=C1	REAL300018592593	1	43	-1.0	-44.44	359.18	6.67	-37.77
CCOC1=CC=C(C(NCC2=CN=CN2CC)C(=O)[O-])C=C1	REAL300018592595	0	42	-1.0	-45.90	342.72	8.18	-37.72
CCOC1=CC=C(C(NCC2=CN=C(C)N2C)C(=O)[O-])C=C1	REAL300018592596	0	42	-1.0	-53.68	348.11	7.12	-46.56
CCOC1=CC=C(C(NCC2=CC(C)=C(Br)S2)C(=O)[O-])C=C1	REAL300018592598	0	39	-1.0	-46.17	359.31	8.54	-37.63
CCOC1=CC=C(C(NCC2=CN=C3CCCN23)C(=O)[O-])C=C1	REAL300018592599	0	43	-1.0	-51.43	352.25	7.67	-43.76
CCOC1=CC=C(C(NCC2=CC=C(F)C=N2)C(=O)[O-])C=C1	REAL300018592601	1	38	-1.0	-44.25	327.76	6.30	-37.95
CCOC1=CC=C(C(NCC2=C(C)N=CS2)C(=O)[O-])C=C1	REAL300018592602	0	38	-1.0	-48.37	331.75	5.93	-42.44
CCOC1=CC=C(C(NCC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300018592605	1	49	-1.0	-48.37	399.42	8.07	-40.30
CCOC1=CC=C(C(NCC2=CC=C(C)C=C2Cl)C(=O)[O-])C=C1	REAL300018592607	1	42	-1.0	-48.77	360.68	9.14	-39.63
CCOC1=CC=C(C(NCC2=CC=C([N+](=O)[O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300018592608	1	41	-1.0	-44.10	367.03	9.09	-35.01
CCOC1=CC=C(C(NCC2=CN=C(C3=CC=C(C)C=C3)S2)C(=O)[O-])C=C1	REAL300018592611	0	48	-1.0	-47.65	412.78	9.74	-37.91
CCOC1=CC=C(C(NCC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300018592613	1	44	-1.0	-55.47	380.12	8.96	-46.51
CCOC1=CC=C(C(NCC2=CC=C([N+](=O)[O-])C=C2Cl)C(=O)[O-])C=C1	REAL300018592615	1	41	-1.0	-44.33	367.73	9.30	-35.03
CCOC1=CC=C(C(NCC2=CC=C(C3=C(F)C=CC=C3F)O2)C(=O)[O-])C=C1	REAL300018592616	0	46	-1.0	-58.91	402.51	10.18	-48.73
CCOC1=CC=C(C(NCC2=CC=C(C3=CC=C(F)C=C3C)O2)C(=O)[O-])C=C1	REAL300018592617	0	49	-1.0	-48.09	415.01	10.75	-37.34
CCOC1=CC=C(C(NCC2=CC=C(C3=CC=C(CC)C=C3)O2)C(=O)[O-])C=C1	REAL300018592618	0	52	-1.0	-49.92	430.95	11.43	-38.49
CCOC1=CC=C(C(NCC2=CC=C(COC)O2)C(=O)[O-])C=C1	REAL300018592626	0	43	-1.0	-47.38	362.69	6.05	-41.33
CCOC1=CC=C(C(NCC2=CC(Cl)=CC(Cl)=C2N)C(=O)[O-])C=C1	REAL300018592633	1	41	-1.0	-46.75	369.65	7.22	-39.53
CCOC1=CC=C(C(NCC2=C(C)N=C(C)O2)C(=O)[O-])C=C1	REAL300018592635	0	41	-1.0	-48.21	343.35	4.19	-44.02
CCOC1=CC=C(C(NCC2=CC(COC)=CS2)C(=O)[O-])C=C1	REAL300018592636	0	43	-1.0	-47.33	371.90	6.87	-40.46
CCCC1=CC=C(CNC(C(=O)[O-])C2=CC=C(OCC)C=C2)S1	REAL300018592637	0	45	-1.0	-48.63	382.66	9.61	-39.02
CCOC1=CC=C(C(NCC2=CC=C(C)C=N2)C(=O)[O-])C=C1	REAL300018592638	0	41	-1.0	-48.38	342.80	6.88	-41.50
CCOC1=CC=C(C(NCC2=NC=CN2C(C)C)C(=O)[O-])C=C1	REAL300018592639	0	45	-1.0	-47.25	367.24	7.85	-39.40
CCOC1=CC=C(C(NCC2=CSC(C)=C2)C(=O)[O-])C=C1	REAL300018592643	0	39	-1.0	-45.98	338.08	7.83	-38.15
CCOC1=CC=C(C(NCC2=NN(C3=CC=CC=C3)C=C2)C(=O)[O-])C=C1	REAL300018592645	0	46	-1.0	-60.62	386.66	9.25	-51.37
CCOC1=CC=C(C(NCC2=CN=C(C(F)(F)F)S2)C(=O)[O-])C=C1	REAL300018592646	0	38	-1.0	-41.37	351.36	6.46	-34.91
CCOC1=CC=C(C(NCC2=CN(C)N=C2CC)C(=O)[O-])C=C1	REAL300018592647	1	45	-1.0	-50.08	371.73	7.29	-42.79
CCOC1=CC=C(C(NCC2=NN3CCCCC3=C2)C(=O)[O-])C=C1	REAL300018592648	0	46	-1.0	-53.91	372.17	7.50	-46.41
CCOC1=CC=C(C(NCC2=CN=C(OC)S2)C(=O)[O-])C=C1	REAL300018592650	0	39	-1.0	-44.67	342.81	3.66	-41.01
CCOC1=CC=C(C(NCC2=NC=CN=C2C)C(=O)[O-])C=C1	REAL300018592652	0	40	-1.0	-46.65	333.33	4.86	-41.79
CCOC1=CC=C(C(NCC2=CC3=C(C=N2)OCCO3)C(=O)[O-])C=C1	REAL300018592654	0	44	-1.0	-49.27	365.65	5.43	-43.84
CCOC1=CC=C(C(NCC2=NC=NN2CC)C(=O)[O-])C=C1	REAL300018592658	0	41	-1.0	-43.52	344.60	7.29	-36.23
CCOC1=CC=C(C(NCC2=CN=C(Cl)N2C)C(=O)[O-])C=C1	REAL300018592659	1	39	-1.0	-48.57	343.90	7.03	-41.54
CCOC1=CC=C(C(NCC2=CN=C(Br)N2C)C(=O)[O-])C=C1	REAL300018592660	1	39	-1.0	-48.93	348.20	7.05	-41.88
CCOC1=CC=C(C(NCC2=CN(C3=CC=C(F)C=C3)N=N2)C(=O)[O-])C=C1	REAL300018592661	0	45	-1.0	-46.77	385.70	7.94	-38.83
CCOC1=CC=C(C(NCC2=CC(C(F)(F)F)=NN2)C(=O)[O-])C=C1	REAL300018592662	1	39	-1.0	-43.85	348.62	5.50	-38.35
CCOC1=CC=C(C(NCC2=NC=C(C)N2C)C(=O)[O-])C=C1	REAL300018592663	0	42	-1.0	-47.07	346.68	6.89	-40.18
CCOC1=CC=C(C(NCC2=CC=CC(OCC)=N2)C(=O)[O-])C=C1	REAL300018592666	0	45	-1.0	-55.49	375.49	5.74	-49.75
CCOC1=CC=C(C(NCC2=CC3=CC=NC=C3S2)C(=O)[O-])C=C1	REAL300018592668	0	41	-1.0	-46.72	358.50	7.80	-38.92
CCOC1=CC=C(C(NCC2=C(C)N=NS2)C(=O)[O-])C=C1	REAL300018592679	0	37	-1.0	-45.96	326.96	5.27	-40.69
CCOC1=CC=C(C(NCC2=NC=C(C)C(OC)=C2C)C(=O)[O-])C=C1	REAL300018592681	0	48	-1.0	-54.99	390.29	6.91	-48.08
CCOC1=CC=C(C(NCC2=CC=C(S(C)(=O)=O)S2)C(=O)[O-])C=C1	REAL300018592684	0	42	-1.0	-53.63	379.31	4.76	-48.87
CCOC1=CC=C(C(NCC2=CC3=CC(Cl)=CN=C3O2)C(=O)[O-])C=C1	REAL300018592688	0	41	-1.0	-46.63	366.99	6.14	-40.49
CCOC1=CC=C(C(NCC2=NC(Cl)=CS2)C(=O)[O-])C=C1	REAL300018592690	0	35	-1.0	-44.98	329.29	5.74	-39.24
CCOC1=CC=C(C(NCC2=CC(OC)=NS2)C(=O)[O-])C=C1	REAL300018592691	0	39	-1.0	-46.96	345.11	4.03	-42.93
CCOC1=CC=C(C(NCC2=NC=CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300018592692	0	44	-1.0	-52.86	365.50	8.43	-44.43
CCOC1=CC=C(C(NCC2=CN=C(C3CC3)O2)C(=O)[O-])C=C1	REAL300018592700	0	42	-1.0	-46.08	354.95	5.39	-40.69
CCOC1=CC=C(C(NCC2=NC3=CC=C(F)C=C3S2)C(=O)[O-])C=C1	REAL300018592702	0	41	-1.0	-47.88	364.32	7.59	-40.29
CCOC1=CC=C(C(NCC2=CN=CC(OCC)=C2)C(=O)[O-])C=C1	REAL300018592704	1	45	-1.0	-47.08	372.51	6.48	-40.60
CCOC1=CC=C(C(NCC2=CC(C3CC3)=NN2C)C(=O)[O-])C=C1	REAL300018592707	0	46	-1.0	-44.44	378.55	7.73	-36.71
CCOC1=CC=C(C(NCC2=CC=NN2CC2CC2)C(=O)[O-])C=C1	REAL300018592713	0	46	-1.0	-44.84	381.32	8.11	-36.73
CCOC1=CC=C(C(NCC2=CC=C(S(N)(=O)=O)O2)C(=O)[O-])C=C1	REAL300018592716	0	41	-1.0	-58.62	364.89	1.32	-57.30
CCOC1=CC=C(C(NCC2=NC(CC)=CN2)C(=O)[O-])C=C1	REAL300018592720	0	42	-1.0	-56.66	350.30	6.27	-50.39
CCOC1=CC=C(C(NCC2=CC3=CN=CC=C3O2)C(=O)[O-])C=C1	REAL300018592722	0	41	-1.0	-45.13	348.85	6.87	-38.26
CCOC1=CC=C(C(NCC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018592726	1	39	-1.0	-42.46	356.98	8.19	-34.27
CCOC1=CC=C(C(NCC2=NC(C)=C(C)N2)C(=O)[O-])C=C1	REAL300018592728	0	42	-1.0	-47.47	347.48	5.91	-41.56
CCOC1=CC=C(C(NCC2=NC=C(Br)S2)C(=O)[O-])C=C1	REAL300018592733	0	35	-1.0	-44.88	334.26	5.99	-38.89
CCOC1=CC=C(C(NCC2=CN(C)N=C2C(F)F)C(=O)[O-])C=C1	REAL300018592736	1	42	-1.0	-51.28	357.96	6.82	-44.46
CCOC1=CC=C(C(NC(C)C2=CC=C(C3=CC=CC=C3)C=N2)C(=O)[O-])C=C1	REAL300018592738	0	51	-1.0	-53.74	415.67	10.62	-43.12
CCOC1=CC=C(C(NCC2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])C=C1	REAL300018592743	1	44	-1.0	-54.94	380.40	3.03	-51.91
CCCN1N=CC=C1CNC(C(=O)[O-])C1=CC=C(OCC)C=C1	REAL300018592744	0	45	-1.0	-45.24	371.25	7.41	-37.83
CCOC1=CC=C(C(NCC2=NN3CCCC3=C2)C(=O)[O-])C=C1	REAL300018592747	0	43	-1.0	-55.35	354.13	6.68	-48.67
CCOC1=CC=C(C(NCC2=NC=C(C(F)(F)F)S2)C(=O)[O-])C=C1	REAL300018592748	0	38	-1.0	-41.73	352.00	6.36	-35.37
CCOC1=CC=C(C(NCC2=CC3=CC=CN=C3O2)C(=O)[O-])C=C1	REAL300018592751	0	41	-1.0	-51.49	350.47	5.58	-45.91
CCOC1=CC=C(C(NCC2=CC3=CC(F)=CC=C3O2)C(=O)[O-])C=C1	REAL300018592759	0	42	-1.0	-47.72	362.11	8.71	-39.01
CCOC1=CC=C(C(NCC2=CC3=C(C=C2OC(F)F)OCO3)C(=O)[O-])C=C1	REAL300018592761	1	46	-1.0	-52.21	391.59	6.46	-45.75
CCOC1=CC=C(C(NCC2=CC=C(OC)C=C2Br)C(=O)[O-])C=C1	REAL300018592762	1	43	-1.0	-50.24	375.26	7.88	-42.36
CCOC1=CC=C(C(NCC2=CN(C3=CC=C(Cl)C=C3)N=C2C)C(=O)[O-])C=C1	REAL300018592764	1	49	-1.0	-50.24	424.70	10.40	-39.84
CCOC1=CC=C(C(NCC2=CSC(CN(C)C)=N2)C(=O)[O-])C=C1	REAL300018592765	0	46	-1.0	-50.31	389.02	4.61	-45.70
CCOC1=CC=C(C(NCC2=CC(Br)=C(C)S2)C(=O)[O-])C=C1	REAL300018592771	0	39	-1.0	-48.65	360.40	8.61	-40.04
CCOC1=CC=C(C(NCC2=CN(C3=CC=C(OC)C=C3)N=C2)C(=O)[O-])C=C1	REAL300018592775	1	50	-1.0	-53.41	416.12	8.63	-44.78
CCOC1=CC=C(C(NCC2=CN(C3=CC=CC=C3Cl)N=C2C)C(=O)[O-])C=C1	REAL300018592778	1	49	-1.0	-52.46	418.63	10.61	-41.85
CCOC1=CC=C(C(NCC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)C(=O)[O-])C=C1	REAL300018592789	0	52	-1.0	-62.19	418.60	9.70	-52.49
CCOC1=CC=C(C(NCC2=NC3=C(CC(C)CC3)S2)C(=O)[O-])C=C1	REAL300018592790	0	48	-1.0	-46.52	394.61	8.40	-38.12
CCOC1=CC=C(C(NCC2=NC=C(CC)S2)C(=O)[O-])C=C1	REAL300018592791	0	41	-1.0	-48.42	355.96	6.84	-41.58
CCOC1=CC=C(C(NCC2=NOC(C3CCC3)=C2)C(=O)[O-])C=C1	REAL300018592800	0	45	-1.0	-55.14	372.70	8.41	-46.73
CCOC1=CC=C(C(NCC2=NOC(C3(C)CC3)=C2)C(=O)[O-])C=C1	REAL300018592801	0	45	-1.0	-48.82	375.16	8.31	-40.51
CCOC1=CC=C(C(NCC2=CN=C3CCCCCN23)C(=O)[O-])C=C1	REAL300018592805	0	49	-1.0	-49.71	382.39	8.42	-41.29
CCOC1=CC=C(C(NCC2=CC3=CC(OC)=CC=C3S2)C(=O)[O-])C=C1	REAL300018592806	0	46	-1.0	-51.44	394.48	9.00	-42.44
CCOC1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=NO2)C(=O)[O-])C=C1	REAL300018592807	0	45	-1.0	-52.76	382.49	9.34	-43.42
CCOC1=CC=C(C(NCC2=CN=C(C3CCOCC3)O2)C(=O)[O-])C=C1	REAL300018592819	0	49	-1.0	-51.38	400.05	4.58	-46.80
CCOC1=CC=C(C(NCC2=NOC(C3CC3)=C2)C(=O)[O-])C=C1	REAL300018592820	0	42	-1.0	-48.75	356.15	7.89	-40.86
CCOC1=CC=C(C(NCC2=C(C)C(C(F)(F)F)=NN2)C(=O)[O-])C=C1	REAL300018592824	1	42	-1.0	-44.95	365.55	5.97	-38.98
CCOC1=CC=C(C(NCC2=NC(C3CC3)=CS2)C(=O)[O-])C=C1	REAL300018592827	0	42	-1.0	-48.33	363.42	7.32	-41.01
CCOC1=CC=C(C(NCC2=CN(CC3CC3)N=N2)C(=O)[O-])C=C1	REAL300018592828	0	45	-1.0	-60.54	377.33	7.01	-53.53
CCOC1=CC=C(C(NCC2=NC3=C(CCCC3)N2)C(=O)[O-])C=C1	REAL300018592830	0	46	-1.0	-47.70	369.32	7.12	-40.58
CCOC1=CC=C(C(NCC2=NN(CC)C=C2)C(=O)[O-])C=C1	REAL300018592837	0	42	-1.0	-51.04	350.79	6.63	-44.41
CCOC1=CC=C(C(NCC2=CC=C(CC3CC3)S2)C(=O)[O-])C=C1	REAL300018592838	0	46	-1.0	-47.18	391.56	10.29	-36.89
CCOC1=CC=C(C(NCC2=CC=C(OC(F)(F)F)C=C2F)C(=O)[O-])C=C1	REAL300018592840	1	43	-1.0	-50.86	379.38	7.93	-42.93
CCOC1=CC=C(C(NCC2=C(C)C3=CC(F)=CC=C3O2)C(=O)[O-])C=C1	REAL300018592845	0	45	-1.0	-44.34	380.67	9.29	-35.05
CCOC1=CC=C(C(NCC2=CC(C3=CC=CC=C3)=NN2C)C(=O)[O-])C=C1	REAL300018592847	0	49	-1.0	-48.36	407.63	9.29	-39.07
CCCN1C=CC(CNC(C(=O)[O-])C2=CC=C(OCC)C=C2)=N1	REAL300018592848	0	45	-1.0	-52.86	373.48	7.49	-45.37
CCOC1=CC=C(C(NCC2=NN(C(C)C)C=C2)C(=O)[O-])C=C1	REAL300018592849	0	45	-1.0	-53.14	370.89	7.19	-45.95
CCOC1=CC=C(C(NCC2=NN(CC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300018592851	0	42	-1.0	-52.50	368.67	7.12	-45.38
CCOC1=CC=C(C(NCC2=NC3=C(CCCC3)N2C)C(=O)[O-])C=C1	REAL300018592852	0	49	-1.0	-54.94	389.11	8.71	-46.23
CCOC1=CC=C(C(NCC2=CC=CC(C)=N2)C(=O)[O-])C=C1	REAL300018592853	0	41	-1.0	-48.51	342.79	6.88	-41.63
CCOC1=CC=C(C(NCC2=CC3=CC=CC=C3C=N2)C(=O)[O-])C=C1	REAL300018592854	0	44	-1.0	-53.97	367.52	8.46	-45.51
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CC1=CC(CNCC(F)C2=CC=CC=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018613899	1	45	-1.0	-49.80	378.88	10.09	-39.71
CC1=NN(CCC(=O)[O-])C(C)=C1CNCC(F)C1=CC=CC=C1	REAL300018613901	1	44	-1.0	-46.47	367.01	7.97	-38.50
O=C([O-])COC1=CC=C(CNCC(F)C2=CC=CC=C2)C=C1	REAL300018613902	1	39	-1.0	-48.07	334.79	8.54	-39.53
O=C([O-])COC1=CC=C(CNCC(F)C2=CC=CC=C2)C=C1	REAL300018613903	1	39	-1.0	-48.07	334.79	8.54	-39.53
CC(OC1=CC=C(CNCC(F)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018613904	1	42	-1.0	-48.61	352.66	9.14	-39.47
O=C([O-])C1=CC=C(CNCC(F)C2=CC=CC=C2)C=C1Cl	REAL300018613908	1	35	-1.0	-49.34	316.28	8.66	-40.68
O=C([O-])C1=CC=C(CNCC(F)C2=CC=CC=C2)C(C(F)(F)F)=C1	REAL300018613909	1	38	-1.0	-47.39	334.25	9.73	-37.66
CC1=CC(Br)=C(OCC(=O)[O-])C(CNCC(F)C2=CC=CC=C2)=C1	REAL300018613910	0	42	-1.0	-48.55	377.60	9.91	-38.64
O=C([O-])C1=CC=C(CNCC(F)C2=CC=CC=C2)C=C1Br	REAL300018613911	1	35	-1.0	-48.39	320.01	8.75	-39.64
O=C([O-])CN1C=C(CNCC(F)C2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300018613913	1	45	-1.0	-56.20	383.80	9.83	-46.37
O=C([O-])C1=C2N=CC(CNCC(F)C3=CC=CC=C3)=CN2N=C1	REAL300018613916	0	37	-1.0	-63.32	327.31	7.23	-56.09
CC(OC1=CC=C(Cl)C=C1CNCC(F)C1=CC=CC=C1)C(=O)[O-]	REAL300018613917	0	42	-1.0	-46.08	368.13	9.65	-36.43
O=C([O-])C1=CC(F)=C(CNCC(F)C2=CC=CC=C2)C(F)=C1	REAL300018613918	0	35	-1.0	-42.61	314.33	8.31	-34.30
O=C([O-])C1=CN2C(CNCC(F)C3=CC=CC=C3)=CN=C2C=C1	REAL300018613919	1	38	-1.0	-43.93	331.30	8.69	-35.24
O=C([O-])C1=CN2C(CNCC(F)C3=CC=CC=C3)=CN=C2C(Br)=C1	REAL300018613920	1	38	-1.0	-44.12	351.92	9.24	-34.88
O=C([O-])C1=CN=C2C(CNCC(F)C3=CC=CC=C3)=CC=CN12	REAL300018613921	1	38	-1.0	-60.21	330.19	7.99	-52.22
O=C([O-])C1=CC=CC(CNCC(F)C2=CC=CC=C2)=C1Br	REAL300018613922	0	35	-1.0	-53.79	317.84	8.64	-45.15
O=C([O-])[C@H]1C[C@H](N2C=CC(CNCC(F)C3=CC=CC=C3)=N2)C1	REAL300018613923	0	42	-1.0	-46.08	350.69	7.85	-38.23
O=C([O-])[C@H]1C[C@H](N2N=CC=C2CNCC(F)C2=CC=CC=C2)C1	REAL300018613924	0	42	-1.0	-51.46	350.80	8.16	-43.30
O=C([O-])C1=CC(CNCC(F)C2=CC=CC=C2)=CC(C(F)(F)F)=C1	REAL300018613925	1	38	-1.0	-47.08	342.46	9.24	-37.84
O=C([O-])C1=CC(Br)=CN2C(CNCC(F)C3=CC=CC=C3)=CN=C12	REAL300018613926	1	38	-1.0	-56.42	351.99	9.45	-46.97
O=C([O-])C1=CC(Br)=CC(CNCC(F)C2=CC=CC=C2)=C1	REAL300018613928	1	35	-1.0	-47.71	325.05	8.86	-38.85
COC1=CC=C(C(CNCC2=CN(CC(=O)[O-])N=N2)C(F)F)C=C1	REAL300018613935	1	41	-1.0	-50.12	349.08	5.00	-45.12
COC1=CC=C(C(CNCC2=CC(C(=O)[O-])=NO2)C(F)F)C=C1	REAL300018613949	1	38	-1.0	-52.55	332.24	5.72	-46.83
COC1=CC=C(C(CNCC2=CC(C(=O)[O-])=NO2)C(F)F)C=C1	REAL300018613951	1	38	-1.0	-52.55	332.24	5.72	-46.83
COC1=CC=C(C(CNCC2=C(F)C=C(C(=O)[O-])C=C2F)C(F)F)C=C1	REAL300018613978	1	42	-1.0	-44.97	363.95	8.76	-36.21
COC1=CC=C(C(CNCC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)C(F)F)C=C1	REAL300018613983	1	49	-1.0	-46.84	401.79	7.78	-39.06
CN1C=C(C2OC3(CNCC4=NC=CS4)CC2(C(=O)[O-])C3)C=N1	REAL300018632710	1	40	-1.0	-49.40	347.21	3.51	-45.89
CN1C=C(C2OC3(CNCC4=CSC=N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632733	1	40	-1.0	-51.20	347.09	3.42	-47.78
CC(C)C1=NC(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=CS1	REAL300018632756	1	49	-1.0	-49.95	410.44	5.37	-44.58
CN1C=C(C2OC3(CNCC4=CSC(C5CC5)=N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632757	1	47	-1.0	-51.03	399.49	5.58	-45.45
CCC1=NC(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=CS1	REAL300018632758	1	46	-1.0	-51.23	390.51	4.89	-46.34
CN1C=C(C2OC3(CNCC4=CSC(C(C)(C)C)=N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632764	1	52	-1.0	-51.17	429.17	5.96	-45.21
CCN1C=CN=C1CNCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632774	1	47	-1.0	-52.66	379.42	5.72	-46.94
CN1C=C(C2OC3(CNCC4=CN(C5=CC=CC=C5)N=N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632777	1	50	-1.0	-54.59	415.33	6.19	-48.40
CN1C=CC(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=N1	REAL300018632783	1	44	-1.0	-51.53	365.29	4.08	-47.45
CN1C=C(C2OC3(CNCC4=NC=CN4CC(F)(F)F)CC2(C(=O)[O-])C3)C=N1	REAL300018632786	1	47	-1.0	-52.92	400.08	5.89	-47.03
CN1C=C(C2OC3(CNCC4=COC(C5=CC=CC=C5)=N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632789	1	50	-1.0	-53.58	419.33	4.76	-48.82
CC1=CSC(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=N1	REAL300018632792	1	43	-1.0	-49.00	369.25	4.07	-44.93
CN1C=C(C2OC3(CNCC4=NC(C5=CC=CC=C5)=CN4)CC2(C(=O)[O-])C3)C=N1	REAL300018632796	1	51	-1.0	-55.40	421.59	6.66	-48.74
CN1C=C(C2OC3(CNCC4=C(Cl)C=NC=C4Cl)CC2(C(=O)[O-])C3)C=N1	REAL300018632815	1	43	-1.0	-48.59	385.78	5.48	-43.11
CN1C=C(C2OC3(CNCC4=NC5=C(CCCC5)S4)CC2(C(=O)[O-])C3)C=N1	REAL300018632816	1	50	-1.0	-50.25	410.94	6.12	-44.13
CC1=CC(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=NN1C	REAL300018632820	1	47	-1.0	-52.69	385.03	4.50	-48.19
CC1=CC(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=NO1	REAL300018632823	1	43	-1.0	-51.26	359.60	4.48	-46.78
CC1=NOC(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632836	1	43	-1.0	-50.85	359.60	4.52	-46.33
CN1C=C(C2OC3(CNCC4=NOC=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632840	1	40	-1.0	-50.14	337.41	3.69	-46.45
CC1=CN=C(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)O1	REAL300018632856	0	43	-1.0	-51.35	359.83	1.93	-49.42
CC1=CNC(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=N1	REAL300018632857	1	44	-1.0	-52.85	364.01	3.68	-49.17
CC(C)N1C=CN=C1CNCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632867	1	50	-1.0	-50.31	403.27	6.19	-44.12
CN1C=C(C2OC3(CNCC4=NN(C5=CC=CC=C5)C=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632873	1	51	-1.0	-53.06	421.31	7.49	-45.57
CN1C=C(C2OC3(CNCC4=NN5CCCCC5=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632876	1	51	-1.0	-52.74	407.27	5.66	-47.08
CCN1N=CN=C1CNCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632885	1	46	-1.0	-51.21	379.52	5.49	-45.72
CC1=CN=C(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)N1C	REAL300018632888	1	47	-1.0	-53.26	383.35	5.21	-48.05
CN1C=C(C2OC3(CNCC4=CN(C)N=C4[N+](=O)[O-])CC2(C(=O)[O-])C3)C=N1	REAL300018632912	1	46	-1.0	-57.98	391.13	5.71	-52.27
CN1C=C(C2OC3(CNCC4=NC(Cl)=CS4)CC2(C(=O)[O-])C3)C=N1	REAL300018632913	1	40	-1.0	-49.07	364.43	3.90	-45.17
COC1=CC=CC(Cl)=C1CNCC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632916	1	48	-1.0	-49.29	404.63	6.14	-43.15
CN1C=C(C2OC3(CNCC4=CN=C(C5CC5)O4)CC2(C(=O)[O-])C3)C=N1	REAL300018632924	1	47	-1.0	-51.34	391.39	3.63	-47.71
CN1C=C(C2OC3(CNCC4=NC=NN4C)CC2(C(=O)[O-])C3)C=N1	REAL300018632937	1	43	-1.0	-51.32	358.57	4.65	-46.67
CN1C=C(C2OC3(CNCC4=CC=C(S(N)(=O)=O)O4)CC2(C(=O)[O-])C3)C=N1	REAL300018632938	1	46	-1.0	-57.73	400.03	-0.53	-58.26
CCC1=CNC(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=N1	REAL300018632942	1	47	-1.0	-52.56	385.45	4.42	-48.14
CC1=C(C)NC(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=N1	REAL300018632948	1	47	-1.0	-51.35	383.52	4.24	-47.11
CN1C=C(C2OC3(CNCC4=NN5CCCC5=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632965	1	48	-1.0	-54.14	389.20	4.84	-49.30
CN(C)CC1=NC(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=CS1	REAL300018632976	1	51	-1.0	-52.22	423.68	2.91	-49.31
CCC1=CN=C(CNCC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)S1	REAL300018632990	1	46	-1.0	-51.15	391.22	5.09	-46.06
CN1C=C(C2OC3(CNCC4=NOC(C5CCC5)=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632999	1	50	-1.0	-51.46	408.19	6.61	-44.85
CN1C=C(C2OC3(CNCC4=NOC(C5(C)CC5)=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018633000	1	50	-1.0	-50.88	410.22	6.50	-44.38
CC(C)C1=NC(CNC2CC3(C2)CCC(C(=O)[O-])CC3)=CS1	REAL300018635386	1	47	-1.0	-48.89	372.40	7.72	-41.17
O=C([O-])C1CCC2(CC(NCC3=CSC(C4CC4)=N3)C2)CC1	REAL300018635387	1	45	-1.0	-50.18	361.08	7.90	-42.28
O=C([O-])C1CCC2(CC(NCC3=CSC(COC4=CC=CC=C4)=N3)C2)CC1	REAL300018635389	1	52	-1.0	-51.35	420.05	8.94	-42.41
CCC1=NC(CNC2CC3(C2)CCC(C(=O)[O-])CC3)=CS1	REAL300018635390	1	44	-1.0	-48.89	352.68	7.16	-41.73
CC(C)(C)C1=NC(CNC2CC3(C2)CCC(C(=O)[O-])CC3)=CS1	REAL300018635400	1	50	-1.0	-48.19	390.33	8.17	-40.02
O=C([O-])C1CCC2(CC(NCC3=CN(C4=CC=CC=C4)N=N3)C2)CC1	REAL300018635428	1	48	-1.0	-53.50	376.01	8.46	-45.04
O=C([O-])C1CCC2(CC(NCC3=C(Cl)C=NC=C3Cl)C2)CC1	REAL300018635473	1	41	-1.0	-47.49	348.13	7.73	-39.76
O=C([O-])C1CCC2(CC(NCC3=CN(C4=CC=C(F)C=C4)N=N3)C2)CC1	REAL300018635553	1	48	-1.0	-52.77	383.95	8.58	-44.19
O=C([O-])C1CCC2(CC(NCC3=NC(Cl)=CS3)C2)CC1	REAL300018635584	1	38	-1.0	-48.27	326.92	6.24	-42.03
O=C([O-])C1CCC2(CC(NCC3=NC=C(Br)S3)C2)CC1	REAL300018635634	1	38	-1.0	-47.52	331.63	6.55	-40.97
O=C([O-])C1CCC2(CC(NCC3=NC=C(C(F)(F)F)S3)C2)CC1	REAL300018635649	1	41	-1.0	-47.83	350.27	6.99	-40.84
CN(C)CC1=NC(CNC2CC3(C2)CCC(C(=O)[O-])CC3)=CS1	REAL300018635666	1	49	-1.0	-49.40	385.85	5.18	-44.22
O=C([O-])C1CCC2(CC(NCC3=C(F)C=NC=C3Br)C2)CC1	REAL300018635686	1	41	-1.0	-47.58	343.33	7.44	-40.14
O=C([O-])C1CCC2(CC(NCC3=C(C4CC4)N(C4=CC=CC=C4)N=N3)C2)CC1	REAL300018635703	1	55	-1.0	-53.36	423.69	10.14	-43.22
O=C([O-])C1CCC2(CC(NCC3=NOC(C4CCC4)=C3)C2)CC1	REAL300018635716	1	48	-1.0	-50.61	369.78	8.92	-41.69
CC1(C2=CC(CNC3CC4(C3)CCC(C(=O)[O-])CC4)=NO2)CC1	REAL300018635717	1	48	-1.0	-49.04	371.19	8.77	-40.27
O=C([O-])C1CCC2(CC(NCC3=NOC(C4CC4)=C3)C2)CC1	REAL300018635739	1	45	-1.0	-49.20	352.20	8.35	-40.85
O=C([O-])C1CCC2(CC(NCC3=CN(CC4CC4)N=N3)C2)CC1	REAL300018635747	1	48	-1.0	-55.30	374.17	7.57	-47.73
CN1C=C(Br)N=C1CNC1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635790	1	42	-1.0	-56.16	346.51	7.53	-48.63
O=C([O-])C1=CC(F)=C(CN2CCCC3(C=CCO3)CC2)C(F)=C1	REAL300018635916	1	41	-1.0	-44.56	312.98	7.57	-36.99
O=C([O-])C1=CN2C(CN3CCCC4(C=CCO4)CC3)=CN=C2C=C1	REAL300018635917	1	44	-1.0	-45.31	332.45	7.78	-37.53
O=C([O-])[C@H]1C[C@H](N2C=CC(CN3CCCC4(C=CCO4)CC3)=N2)C1	REAL300018635921	1	48	-1.0	-44.99	361.92	7.36	-37.63
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018635927	0	52	-1.0	-58.65	418.39	11.82	-46.83
CC1=C(C(=O)[O-])C=C(CN[C@H](C)C2=CC=CC=C2OC(C)C)O1	REAL300018635928	0	45	-1.0	-50.73	363.81	8.38	-42.35
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=C(C(=O)[O-])OC=C1	REAL300018635929	1	42	-1.0	-51.90	340.21	7.56	-44.34
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC(C(=O)[O-])=CO1	REAL300018635931	0	42	-1.0	-50.19	345.82	7.65	-42.54
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CN(CC(=O)[O-])N=N1	REAL300018635933	0	44	-1.0	-48.52	359.50	6.24	-42.28
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(C(=O)[O-])O1	REAL300018635934	0	42	-1.0	-48.79	345.57	7.90	-40.89
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(C(=O)[O-])O1	REAL300018635935	0	42	-1.0	-48.79	345.57	7.90	-40.89
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018635936	0	52	-1.0	-49.61	422.69	11.26	-38.35
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018635937	0	52	-1.0	-49.61	422.69	11.26	-38.35
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=CC(C(=O)[O-])=C1	REAL300018635939	1	45	-1.0	-51.33	362.21	9.30	-42.03
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC(C(=O)[O-])=NN1	REAL300018635940	0	42	-1.0	-54.35	344.18	5.85	-48.50
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018635943	1	49	-1.0	-47.74	393.80	9.69	-38.05
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018635944	1	49	-1.0	-47.74	393.80	9.69	-38.05
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CSC(C(=O)[O-])=C1	REAL300018635945	1	42	-1.0	-51.35	353.30	8.46	-42.89
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC(C(=O)[O-])=NO1	REAL300018635947	0	41	-1.0	-49.54	339.42	6.86	-42.68
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=CC(C(=O)[O-])=N1	REAL300018635948	0	44	-1.0	-53.12	358.58	7.58	-45.54
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC(C(=O)[O-])=NO1	REAL300018635949	0	41	-1.0	-49.54	339.42	6.86	-42.68
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(OC(C)C(=O)[O-])C=C1	REAL300018635950	1	52	-1.0	-48.57	411.71	10.29	-38.28
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(C=CC(=O)[O-])O1	REAL300018635952	0	46	-1.0	-52.91	380.06	7.50	-45.41
CC1=C(CN[C@H](C)C2=CC=CC=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300018635955	1	45	-1.0	-51.35	364.27	8.46	-42.89
CC1=C(C(=O)[O-])OC(CN[C@H](C)C2=CC=CC=C2OC(C)C)=C1	REAL300018635956	0	45	-1.0	-49.60	363.54	8.50	-41.10
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300018635957	1	45	-1.0	-49.05	375.27	9.80	-39.25
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CN(C)N=C1C(=O)[O-]	REAL300018635960	1	45	-1.0	-59.10	362.51	7.13	-51.97
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018635961	1	45	-1.0	-48.10	379.00	9.89	-38.21
CCC1=C(C(=O)[O-])C=C(CN[C@H](C)C2=CC=CC=C2OC(C)C)O1	REAL300018635962	0	48	-1.0	-50.19	384.74	9.05	-41.14
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(C(=O)[O-])C=N1	REAL300018635965	0	44	-1.0	-46.42	357.90	7.57	-38.85
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC(C(=O)[O-])=NN1C	REAL300018635967	0	45	-1.0	-57.98	364.61	7.08	-50.90
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(CCC(=O)[O-])O1	REAL300018635968	0	48	-1.0	-45.16	387.55	9.29	-35.87
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(F)C(C(=O)[O-])=C1	REAL300018635969	1	45	-1.0	-52.53	367.32	9.43	-43.10
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CN2N=CC(C(=O)[O-])=C2N=C1	REAL300018635972	0	47	-1.0	-60.95	385.56	8.37	-52.58
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=C(C(=O)[O-])N=C1	REAL300018635973	1	44	-1.0	-52.66	357.94	7.52	-45.14
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CN=C2C=CC(C(=O)[O-])=CN12	REAL300018635974	1	48	-1.0	-44.04	389.59	9.84	-34.20
CC1=CC(C(=O)[O-])=NC=C1CN[C@H](C)C1=CC=CC=C1OC(C)C	REAL300018635975	1	47	-1.0	-53.37	373.32	8.12	-45.25
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018635977	1	48	-1.0	-55.18	386.96	9.58	-45.60
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=CC(C(=O)[O-])=C1Br	REAL300018635978	0	45	-1.0	-51.54	376.14	9.77	-41.77
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300018635979	0	52	-1.0	-45.60	409.33	9.00	-36.60
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1	REAL300018635980	1	52	-1.0	-51.01	409.34	9.22	-41.79
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018635981	1	48	-1.0	-46.14	401.27	10.31	-35.83
CC(C)OC1=CC=CC=C1[C@@H](C)NCC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018635983	1	45	-1.0	-47.92	383.48	9.90	-38.02
CC(C)C1COCCN(CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)C1	REAL300018635996	1	45	-1.0	-46.00	347.72	9.37	-36.63
CC(C)C1COCCN(CC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300018635997	1	42	-1.0	-46.84	332.15	7.88	-38.96
CC(C)C1COCCN(CC2=CN3N=CC(C(=O)[O-])=C3N=C2)C1	REAL300018636000	1	44	-1.0	-60.31	338.00	6.27	-54.04
O=C([O-])C1=CC=CC=C1C1=CC=C(CNCC2=CC=CC3=C2CCCC3)O1	REAL300018642747	1	49	-1.0	-57.62	392.77	12.27	-45.35
O=C([O-])CN1C=C(CNCC2=CC=CC3=C2CCCC3)N=N1	REAL300018642749	0	41	-1.0	-48.47	330.33	6.64	-41.83
O=C([O-])C1=CC=C(C2=CC=C(CNCC3=CC=CC4=C3CCCC4)O2)C=C1	REAL300018642750	1	49	-1.0	-49.49	393.58	11.66	-37.83
O=C([O-])C1=CC=C(C2=CC=C(CNCC3=CC=CC4=C3CCCC4)O2)C=C1	REAL300018642751	1	49	-1.0	-49.49	393.58	11.66	-37.83
O=C([O-])C=CC1=CC=C(CNCC2=CC=CC3=C2CCCC3)O1	REAL300018642763	1	43	-1.0	-54.66	353.92	7.85	-46.81
CCC1=C(C(=O)[O-])C=C(CNCC2=CC=CC3=C2CCCC3)O1	REAL300018642771	1	45	-1.0	-50.13	359.16	9.50	-40.63
O=C([O-])CCC1=CC=C(CNCC2=CC=CC3=C2CCCC3)O1	REAL300018642776	1	45	-1.0	-46.07	361.42	9.63	-36.44
O=C([O-])C1=C2N=CC(CNCC3=CC=CC4=C3CCCC4)=CN2N=C1	REAL300018642779	1	44	-1.0	-61.12	356.39	8.76	-52.36
CC(OC1=CC=C(Cl)C=C1CNCC1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300018642780	1	49	-1.0	-45.38	400.92	11.14	-34.24
O=C([O-])C1=CC(F)=C(CNCC2=CC=CC3=C2CCCC3)C(F)=C1	REAL300018642781	0	42	-1.0	-41.94	347.18	9.80	-32.14
O=C([O-])C1=CC=CC(CNCC2=CC=CC3=C2CCCC3)=C1Br	REAL300018642785	1	42	-1.0	-51.07	347.04	10.18	-40.89
O=C([O-])[C@H]1C[C@H](N2C=CC(CNCC3=CC=CC4=C3CCCC4)=N2)C1	REAL300018642786	0	49	-1.0	-44.95	380.56	9.39	-35.56
O=C([O-])[C@H]1C[C@H](N2N=CC=C2CNCC2=CC=CC3=C2CCCC3)C1	REAL300018642787	1	49	-1.0	-49.68	381.46	9.69	-39.99
CN1N=C(C(F)F)C=C1CNCC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018642791	0	42	-1.0	-58.05	370.00	8.37	-49.68
CN1N=C(C(F)F)C=C1CNCC1=CN(CC(=O)[O-])N=N1	REAL300018642793	0	34	-1.0	-52.57	310.56	2.68	-49.89
CN1N=C(C(F)F)C=C1CNCC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018642794	0	42	-1.0	-54.59	374.77	7.74	-46.85
CN1N=C(C(F)F)C=C1CNCC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018642795	0	42	-1.0	-54.59	374.77	7.74	-46.85
CN1N=C(C(F)F)C=C1CNCC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-]	REAL300018642796	0	42	-1.0	-62.21	368.38	7.10	-55.11
CC1=CC(CNCC2=CC(C(F)F)=NN2C)=CC(C)=C1OCC(=O)[O-]	REAL300018642797	1	45	-1.0	-55.31	388.50	7.71	-47.60
CC1=NN(CCC(=O)[O-])C(C)=C1CNCC1=CC(C(F)F)=NN1C	REAL300018642799	0	44	-1.0	-49.96	379.19	5.62	-44.34
CN1N=C(C(F)F)C=C1CNCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018642800	1	39	-1.0	-51.79	344.88	6.14	-45.65
CN1N=C(C(F)F)C=C1CNCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018642801	1	39	-1.0	-51.79	344.88	6.14	-45.65
CN1N=C(C(F)F)C=C1CNCC1=CSC(C(=O)[O-])=C1	REAL300018642802	1	32	-1.0	-51.15	304.67	4.95	-46.20
CC(OC1=CC=C(CNCC2=CC(C(F)F)=NN2C)C=C1)C(=O)[O-]	REAL300018642804	1	42	-1.0	-52.25	362.75	6.73	-45.52
COC1=C2OC(C(=O)[O-])=CC2=C(CNCC2=CC(C(F)F)=NN2C)C=C1	REAL300018642805	1	42	-1.0	-58.48	372.39	5.86	-52.62
CN1N=C(C(F)F)C=C1CNCC1=CC=C(C=CC(=O)[O-])O1	REAL300018642807	0	36	-1.0	-58.09	332.14	3.98	-54.11
CN1N=C(C(F)F)C=C1CNCC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300018642810	1	35	-1.0	-55.68	325.86	6.28	-49.40
CN1N=C(C(F)F)C=C1CNCC1=CC=C(C(=O)[O-])C=C1C(F)(F)F	REAL300018642813	1	38	-1.0	-52.72	343.86	7.37	-45.35
CN1N=C(C(F)F)C=C1CNCC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018642814	1	35	-1.0	-54.72	329.60	6.37	-48.35
CCC1=C(C(=O)[O-])C=C(CNCC2=CC(C(F)F)=NN2C)O1	REAL300018642815	0	38	-1.0	-55.35	335.89	5.64	-49.71
CN1N=C(C(F)F)C=C1CNCC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1	REAL300018642818	1	45	-1.0	-60.02	388.31	8.41	-51.61
CN1N=C(C(F)F)C=C1CNCC1=CC=C(CCC(=O)[O-])O1	REAL300018642820	0	38	-1.0	-51.48	338.94	5.77	-45.71
CN1N=C(C(F)F)C=C1CNCC1=CC=C(F)C(C(=O)[O-])=C1	REAL300018642821	1	35	-1.0	-59.23	317.90	5.92	-53.31
CN1N=C(C(F)F)C=C1CNCC1=CC2=C(S1)SC(C(=O)[O-])=C2	REAL300018642822	1	35	-1.0	-53.46	342.38	6.57	-46.89
CN1N=C(C(F)F)C=C1CNCC1=CN2N=CC(C(=O)[O-])=C2N=C1	REAL300018642823	0	37	-1.0	-69.53	336.15	4.84	-64.69
CC(OC1=CC=C(Cl)C=C1CNCC1=CC(C(F)F)=NN1C)C(=O)[O-]	REAL300018642824	0	42	-1.0	-42.73	378.11	7.24	-35.49
CN1N=C(C(F)F)C=C1CNCC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300018642825	0	35	-1.0	-46.02	324.70	5.94	-40.08
CN1N=C(C(F)F)C=C1CNCC1=CN=C2C=CC(C(=O)[O-])=CN12	REAL300018642826	0	38	-1.0	-49.49	340.20	6.30	-43.19
CC1=CC(C(=O)[O-])=NC=C1CNCC1=CC(C(F)F)=NN1C	REAL300018642827	1	37	-1.0	-58.77	327.06	4.84	-53.93
CN1N=C(C(F)F)C=C1CNCC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018642828	1	38	-1.0	-63.47	339.50	5.57	-57.90
CN1N=C(C(F)F)C=C1CNCC1=CC=CC(C(=O)[O-])=C1Br	REAL300018642829	0	35	-1.0	-50.67	325.27	6.26	-44.41
CN1N=C(C(F)F)C=C1CNCC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300018642830	0	42	-1.0	-48.68	361.76	5.47	-43.21
CN1N=C(C(F)F)C=C1CNCC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1	REAL300018642831	0	42	-1.0	-56.54	361.12	5.78	-50.76
CN1N=C(C(F)F)C=C1CNCC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018642832	1	38	-1.0	-50.49	352.40	6.89	-43.60
CN1N=C(C(F)F)C=C1CNCC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018642834	1	35	-1.0	-51.03	334.65	6.49	-44.54
CC1=C(C(=O)[O-])C=C(CN2CCC(C)(C(F)(F)F)CC2)O1	REAL300018642837	1	38	-1.0	-49.89	305.74	6.71	-43.18
CC1(C(F)(F)F)CCN(CC2=CN(CC(=O)[O-])N=N2)CC1	REAL300018642838	0	37	-1.0	-47.65	300.91	4.54	-43.11
CC1(C(F)(F)F)CCN(CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])CC1	REAL300018642842	1	45	-1.0	-61.44	363.32	8.93	-52.51
CC1=NN(CCC(=O)[O-])C(C)=C1CN1CCC(C)(C(F)(F)F)CC1	REAL300018642844	1	47	-1.0	-46.15	364.02	7.23	-38.92
CC1(C(F)(F)F)CCN(CC2=CSC(C(=O)[O-])=C2)CC1	REAL300018642847	1	35	-1.0	-48.82	294.95	6.78	-42.04
CC1(C(F)(F)F)CCN(CC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300018642848	1	37	-1.0	-52.77	299.58	6.06	-46.71
CC1(C(F)(F)F)CCN(CC2=CC=C(C=CC(=O)[O-])O2)CC1	REAL300018642851	1	39	-1.0	-52.79	321.95	5.80	-46.99
CC1=C(CN2CCC(C)(C(F)(F)F)CC2)C=C(C(=O)[O-])O1	REAL300018642852	1	38	-1.0	-51.11	310.61	6.97	-44.14
CC1=C(C(=O)[O-])OC(CN2CCC(C)(C(F)(F)F)CC2)=C1	REAL300018642853	1	38	-1.0	-52.47	305.47	6.83	-45.64
CC1(C(F)(F)F)CCN(CC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300018642854	1	38	-1.0	-48.85	315.86	7.93	-40.92
CC1(C(F)(F)F)CCN(CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)CC1	REAL300018642855	1	41	-1.0	-48.17	336.00	9.90	-38.27
CN1C=C(CN2CCC(C)(C(F)(F)F)CC2)C(C(=O)[O-])=N1	REAL300018642856	1	38	-1.0	-59.74	305.89	5.38	-54.36
CC1(C(F)(F)F)CCN(CC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300018642857	0	38	-1.0	-47.81	319.59	8.03	-39.78
CCC1=C(C(=O)[O-])C=C(CN2CCC(C)(C(F)(F)F)CC2)O1	REAL300018642858	1	41	-1.0	-50.56	327.17	7.50	-43.06
CC1(C(F)(F)F)CCN(CC2=CC=C(C(=O)[O-])C=N2)CC1	REAL300018642860	1	37	-1.0	-48.31	299.84	5.87	-42.44
CN1N=C(C(=O)[O-])C=C1CN1CCC(C)(C(F)(F)F)CC1	REAL300018642861	0	38	-1.0	-57.27	307.04	5.40	-51.87
CC1(C(F)(F)F)CCN(CC2=CC=C(CCC(=O)[O-])O2)CC1	REAL300018642862	1	41	-1.0	-44.50	329.46	7.59	-36.91
CC1(C(F)(F)F)CCN(CC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300018642863	1	38	-1.0	-55.60	308.64	7.74	-47.86
CC1(C(F)(F)F)CCN(CC2=CN3N=CC(C(=O)[O-])=C3N=C2)CC1	REAL300018642865	0	40	-1.0	-61.59	325.26	6.38	-55.21
CC1(C(F)(F)F)CCN(CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300018642866	1	37	-1.0	-53.44	299.85	5.85	-47.59
CC(OC1=CC=C(Cl)C=C1CN1CCC(C)(C(F)(F)F)CC1)C(=O)[O-]	REAL300018642867	0	45	-1.0	-46.39	368.94	8.99	-37.40
CC1(C(F)(F)F)CCN(CC2=C(F)C=C(C(=O)[O-])C=C2F)CC1	REAL300018642868	0	38	-1.0	-42.35	312.82	7.69	-34.66
CC1(C(F)(F)F)CCN(CC2=CN=C3C=CC(C(=O)[O-])=CN23)CC1	REAL300018642869	0	41	-1.0	-46.17	332.04	8.10	-38.07
CC1=CC(C(=O)[O-])=NC=C1CN1CCC(C)(C(F)(F)F)CC1	REAL300018642870	1	40	-1.0	-54.76	319.62	6.60	-48.16
CC1(C(F)(F)F)CCN(CC2=CC=CN3C(C(=O)[O-])=CN=C23)CC1	REAL300018642871	1	41	-1.0	-59.02	331.39	6.50	-52.52
CC1(C(F)(F)F)CCN(CC2=CC=CC(C(=O)[O-])=C2Br)CC1	REAL300018642872	1	38	-1.0	-51.38	319.23	8.37	-43.01
CC1(C(F)(F)F)CCN(CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300018642873	0	45	-1.0	-45.25	350.66	7.32	-37.93
CC1(C(F)(F)F)CCN(CC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300018642874	0	45	-1.0	-49.96	342.63	7.23	-42.73
CC1(C(F)(F)F)CCN(CC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)CC1	REAL300018642875	1	41	-1.0	-46.00	343.15	8.72	-37.28
CC1(C(F)(F)F)CCN(CC2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300018642877	0	38	-1.0	-46.72	325.40	8.32	-38.40
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300018642878	0	42	-1.0	-65.36	347.13	7.88	-57.48
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC(Cl)=CC2=C1OCC2	REAL300018642879	0	41	-1.0	-54.37	331.21	7.97	-46.40
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CN(CC2=CC=CN=C2)N=N1	REAL300018642881	0	44	-1.0	-50.86	351.82	6.22	-44.64
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CN(C2=CC=C(Cl)C(Cl)=C2)N=N1	REAL300018642882	0	42	-1.0	-64.66	356.45	8.28	-56.38
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300018642883	1	43	-1.0	-49.24	353.62	8.62	-40.62
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC=CC1=CC=C(F)C=C1F	REAL300018642884	1	40	-1.0	-53.20	319.54	9.16	-44.04
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=C(Br)C=CS1	REAL300018642885	0	33	-1.0	-49.64	287.07	7.51	-42.13
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC(Br)=CC2=C1OCC2	REAL300018642886	0	41	-1.0	-54.19	335.78	8.08	-46.11
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300018642888	1	42	-1.0	-49.76	356.11	9.17	-40.59
CN(C)CC1=CN=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300018642890	0	43	-1.0	-54.16	334.86	4.21	-49.95
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018642891	1	46	-1.0	-52.69	372.31	9.79	-42.90
CC1=CC=CC=C1N1C=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])N=N1	REAL300018642892	0	45	-1.0	-50.33	351.59	8.21	-42.12
CC1=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])N2C(C3CC3)=CSC2=N1	REAL300018642895	0	46	-1.0	-54.23	354.12	9.59	-44.64
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=NN1C1CCCC1	REAL300018642896	0	46	-1.0	-50.10	334.17	7.65	-42.45
CC1=NN(C2=CC=CC(F)=C2)C=C1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642897	1	46	-1.0	-51.36	362.26	9.46	-41.90
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CN=NN1C1=CC=CC=C1	REAL300018642899	0	42	-1.0	-53.60	323.07	7.19	-46.41
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300018642900	1	46	-1.0	-49.39	369.25	8.19	-41.20
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=C2OCCOC2=C1	REAL300018642902	1	42	-1.0	-52.45	320.90	7.01	-45.44
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=CC(Br)=C1	REAL300018642903	0	36	-1.0	-52.45	295.13	8.24	-44.21
COC1=CC=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1OC	REAL300018642904	1	44	-1.0	-52.86	335.22	7.06	-45.80
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=CC=C1C(F)(F)F	REAL300018642905	1	39	-1.0	-49.80	291.70	7.45	-42.35
CCOC1=CC=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1OC	REAL300018642906	1	47	-1.0	-52.78	357.07	7.98	-44.80
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC(Br)=CS1	REAL300018642908	0	33	-1.0	-49.37	288.34	7.47	-41.90
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300018642909	0	42	-1.0	-49.39	347.95	8.84	-40.55
COC1=NC2=CC=CC=C2C=C1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642911	1	45	-1.0	-56.71	350.55	6.82	-49.89
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300018642912	0	39	-1.0	-47.21	329.12	9.26	-37.95
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300018642913	0	39	-1.0	-54.37	313.69	8.44	-45.93
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC(Cl)=CC=C1Cl	REAL300018642914	0	36	-1.0	-51.05	295.50	8.16	-42.89
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=C(F)C=C1C(F)(F)F	REAL300018642915	0	39	-1.0	-55.11	300.72	7.87	-47.24
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300018642916	0	39	-1.0	-47.93	321.55	8.91	-39.02
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC(F)=CC=C1Br	REAL300018642917	0	36	-1.0	-49.59	288.05	7.77	-41.82
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300018642918	0	42	-1.0	-47.48	351.67	9.65	-37.83
CC1=NN(C(C)(C)C)C(C)=C1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642920	1	51	-1.0	-51.51	366.98	8.15	-43.36
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300018642921	0	39	-1.0	-47.24	336.44	9.45	-37.79
CC1=CC=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C(Br)=C1	REAL300018642922	0	39	-1.0	-52.33	314.13	8.71	-43.62
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=NC=CC=C1C(F)(F)F	REAL300018642923	0	38	-1.0	-54.98	298.97	7.63	-47.35
CC1=CC=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1Br	REAL300018642925	0	39	-1.0	-53.37	315.92	9.04	-44.33
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CN=C2C=CSC2=C1	REAL300018642926	1	38	-1.0	-52.89	308.08	7.31	-45.58
CN1C2=CC(Cl)=CC=C2N=C1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642927	0	42	-1.0	-42.77	324.69	7.79	-34.98
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=C(OC(F)F)C(F)=C1	REAL300018642929	1	40	-1.0	-51.48	321.95	7.50	-43.98
CC1=NN2C(=NC(C)=C2CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300018642930	0	41	-1.0	-55.00	331.08	7.15	-47.85
CN1C2=CC=C(Cl)C=C2N=C1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642932	0	42	-1.0	-42.06	324.72	7.80	-34.26
COC1=CC(Cl)=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1Cl	REAL300018642934	0	40	-1.0	-51.02	324.47	7.49	-43.53
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300018642935	1	45	-1.0	-58.77	350.36	9.37	-49.40
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642937	1	58	-1.0	-52.19	434.08	12.05	-40.14
CC1(C)CCC2=C(C1)SC(CN1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300018642938	0	48	-1.0	-57.30	361.99	8.55	-48.75
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CN=C(C2CCCO2)S1	REAL300018642939	0	43	-1.0	-53.22	338.06	5.84	-47.38
COC1=C(Br)C=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300018642940	0	37	-1.0	-51.16	321.10	7.12	-44.04
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CN=CC(Br)=C1	REAL300018642941	0	35	-1.0	-49.00	292.65	6.65	-42.35
CCN1N=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C21	REAL300018642942	1	45	-1.0	-53.85	347.57	8.65	-45.20
COC1=C(Br)C=CC=C1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642948	0	40	-1.0	-48.39	327.26	8.68	-39.71
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300018642949	1	46	-1.0	-57.84	368.04	9.56	-48.28
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=C(Br)O1	REAL300018642953	0	33	-1.0	-46.17	278.37	6.69	-39.48
COC1=CC=C2N=C(CN3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])SC2=C1	REAL300018642955	0	42	-1.0	-56.60	339.45	6.72	-49.88
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC(Br)=C(Cl)S1	REAL300018642956	0	33	-1.0	-47.09	305.59	8.23	-38.86
CCN(C)C1=CC=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300018642957	1	46	-1.0	-52.14	346.63	8.58	-43.56
COCCN(C)C1=CC=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300018642958	1	50	-1.0	-52.11	378.01	7.76	-44.35
CC(C)N(C)C1=CC=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300018642959	1	49	-1.0	-51.95	362.85	9.11	-42.84
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=NC=CN1C1=CC=CC=C1	REAL300018642961	0	43	-1.0	-60.46	329.71	9.09	-51.37
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=C(Cl)C(Br)=C1	REAL300018642962	0	36	-1.0	-46.53	312.60	8.94	-37.59
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC(Cl)=CC(F)=C1[O-]	REAL300018642963	0	37	-1.0	-38.72	300.68	8.59	-30.13
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC(Cl)=CC(F)=C1[O-]	REAL300018642963	1	37	-1.0	-47.92	300.89	8.06	-39.86
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=C(Br)C2=CC=CN=C12	REAL300018642964	0	41	-1.0	-57.65	333.75	8.68	-48.97
COC1=CC(Br)=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1O	REAL300018642965	0	41	-1.0	-49.94	333.10	5.44	-44.50
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=C(OC2=CC=CC=C2)O1	REAL300018642966	1	44	-1.0	-49.31	342.60	9.50	-39.81
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=C(SC2=CC=CC=N2)O1	REAL300018642969	0	43	-1.0	-53.22	352.00	9.00	-44.22
CN1N=CC(Br)=C1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642972	0	36	-1.0	-45.45	294.59	5.76	-39.69
CCOC1=CC=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300018642973	1	43	-1.0	-49.26	334.05	8.16	-41.10
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CN=C(C2=CC=CO2)S1	REAL300018642974	1	39	-1.0	-51.59	322.42	6.72	-44.87
CC(C)(C)C1=CN=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300018642975	0	44	-1.0	-55.89	343.88	7.67	-48.22
CN(C)C1=CC=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C(C(F)(F)F)=C1	REAL300018642978	1	47	-1.0	-58.75	346.70	8.21	-50.54
CN(C1=CC=CC=C1)C1=CC=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300018642979	1	50	-1.0	-52.43	386.26	11.02	-41.41
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=C(Br)N2C=CC=CC2=N1	REAL300018642982	0	39	-1.0	-60.69	325.45	8.73	-51.96
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300018642985	0	46	-1.0	-51.02	377.87	9.87	-41.15
COC1=CC=CC(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1OC	REAL300018642986	1	44	-1.0	-52.39	336.73	7.86	-44.53
CC1=NN(C)C2=NC=C(CN3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C12	REAL300018642987	1	44	-1.0	-54.62	342.47	7.56	-47.06
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=C(OC(F)F)C(Br)=C1	REAL300018642990	0	40	-1.0	-51.73	336.15	8.11	-43.62
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018642992	1	49	-1.0	-57.80	400.36	10.50	-47.30
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CC=NN1CCC1=CC=CC=C1	REAL300018642994	0	49	-1.0	-51.11	381.67	10.15	-40.96
NS(=O)(=O)C1=CC(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300018642995	0	41	-1.0	-61.13	343.80	3.34	-57.79
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1CC1=CN=C(C2=CC=CC=C2F)S1	REAL300018642997	1	42	-1.0	-55.89	343.86	8.88	-47.01
CN1C=C(C2=NC(CN3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=CS2)C=N1	REAL300018642998	0	42	-1.0	-54.23	343.55	6.58	-47.65
COC1=CC(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300018643000	1	51	-1.0	-55.61	400.56	8.00	-47.61
CC1(C)OC2(CNCC3=NC=CS3)CCC1(C(=O)[O-])CC2	REAL300018644539	1	42	-1.0	-47.62	323.91	4.82	-42.80
CC1(C)OC2(CNCC3=CSC=N3)CCC1(C(=O)[O-])CC2	REAL300018644571	1	42	-1.0	-47.53	323.75	4.67	-42.86
CC1(C)OC2(CNCC3=CSC(C4=CC=CC=N4)=N3)CCC1(C(=O)[O-])CC2	REAL300018644585	1	51	-1.0	-56.38	397.82	6.24	-50.14
CC(C)C1=NC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CS1	REAL300018644613	1	51	-1.0	-47.67	386.90	6.70	-40.97
CC1(C)OC2(CNCC3=CSC(C4CC4)=N3)CCC1(C(=O)[O-])CC2	REAL300018644614	1	49	-1.0	-49.99	374.01	6.54	-43.45
CCC1=NC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CS1	REAL300018644615	1	48	-1.0	-47.62	367.18	6.14	-41.48
CC(C)(C)C1=NC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CS1	REAL300018644622	1	54	-1.0	-47.54	405.83	7.21	-40.33
CC1(C)OC2(CNCC3=CSC(C4=CSC=C4)=N3)CCC1(C(=O)[O-])CC2	REAL300018644623	1	49	-1.0	-48.47	395.01	7.40	-41.07
CCN1C=CN=C1CNCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644641	1	49	-1.0	-50.25	360.87	6.93	-43.32
CC1(C)OC2(CNCC3=CN(C4=CC=CC=C4)N=N3)CCC1(C(=O)[O-])CC2	REAL300018644643	1	52	-1.0	-54.36	392.04	7.50	-46.86
CN1C=CC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644654	1	46	-1.0	-50.45	342.00	5.38	-45.07
CC1(C)OC2(CNCC3=NC=CN3CC(F)(F)F)CCC1(C(=O)[O-])CC2	REAL300018644657	1	49	-1.0	-50.52	376.33	7.18	-43.34
CC1(C)OC2(CNCC3=COC(C4=CC=CC=C4)=N3)CCC1(C(=O)[O-])CC2	REAL300018644661	1	52	-1.0	-50.52	394.28	5.71	-44.81
CC1(C)OC2(CNCC3=CSC(C4=CC=CS4)=N3)CCC1(C(=O)[O-])CC2	REAL300018644662	1	49	-1.0	-51.60	394.04	7.14	-44.46
CC1=CSC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644665	1	45	-1.0	-47.89	344.15	5.05	-42.84
CC1(C)OC2(CNCC3=C(Cl)C=NC=C3Cl)CCC1(C(=O)[O-])CC2	REAL300018644691	1	45	-1.0	-46.43	361.10	6.38	-40.05
CC1=CC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=NN1C	REAL300018644697	1	49	-1.0	-50.56	361.49	5.84	-44.72
CC1=CC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=NO1	REAL300018644702	1	45	-1.0	-48.63	335.95	5.72	-42.91
CC1=CN=C(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)O1	REAL300018644745	0	45	-1.0	-49.91	334.83	2.85	-47.06
CC1=CNC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644747	1	46	-1.0	-52.96	338.91	4.67	-48.29
CC(C)N1C=CN=C1CNCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644758	1	52	-1.0	-50.01	379.98	7.49	-42.52
CC1(C)OC2(CNCC3=NN(C4=CC=CC=C4)C=C3)CCC1(C(=O)[O-])CC2	REAL300018644765	1	53	-1.0	-52.10	398.02	8.79	-43.31
CC1(C)OC2(CNCC3=NN4CCCCC4=C3)CCC1(C(=O)[O-])CC2	REAL300018644769	1	53	-1.0	-50.56	383.73	7.00	-43.56
CCN1N=CN=C1CNCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644779	1	48	-1.0	-51.34	356.22	6.79	-44.55
CC1(C)OC2(CNCC3=CN(C4=CC=C(F)C=C4)N=N3)CCC1(C(=O)[O-])CC2	REAL300018644782	1	52	-1.0	-53.35	398.45	7.56	-45.79
CC1=CN=C(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)N1C	REAL300018644784	1	49	-1.0	-53.41	357.95	6.18	-47.23
CC1(C)OC2(CNCC3=NC(Cl)=CS3)CCC1(C(=O)[O-])CC2	REAL300018644813	1	42	-1.0	-47.91	339.33	4.88	-43.03
CN1N=CN=C1CNCC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644847	1	45	-1.0	-51.46	334.40	5.92	-45.54
CC1(C)OC2(CNCC3=CC=C(S(N)(=O)=O)O3)CCC1(C(=O)[O-])CC2	REAL300018644848	1	48	-1.0	-58.00	374.98	0.44	-57.56
CCC1=CNC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644853	1	49	-1.0	-52.67	360.35	5.40	-47.27
CC1=C(C)NC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644861	1	49	-1.0	-50.77	360.22	5.54	-45.23
CC1(C)OC2(CNCC3=NC=C(Br)S3)CCC1(C(=O)[O-])CC2	REAL300018644867	1	42	-1.0	-47.99	344.10	5.16	-42.83
CC1(C)OC2(CNCC3=NN4CCCC4=C3)CCC1(C(=O)[O-])CC2	REAL300018644881	1	50	-1.0	-53.66	364.10	5.84	-47.82
CC1(C)OC2(CNCC3=NC=C(C(F)(F)F)S3)CCC1(C(=O)[O-])CC2	REAL300018644882	1	45	-1.0	-47.43	363.20	5.63	-41.80
CN(C)CC1=NC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CS1	REAL300018644899	1	53	-1.0	-48.52	400.34	4.16	-44.36
CCC1=CN=C(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)S1	REAL300018644918	1	48	-1.0	-47.47	367.31	6.39	-41.08
CC1(C)OC2(CNCC3=NOC(C4CCC4)=C3)CCC1(C(=O)[O-])CC2	REAL300018644928	1	52	-1.0	-50.65	382.71	7.57	-43.08
CC1(C2=CC(CNCC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)=NO2)CC1	REAL300018644929	1	52	-1.0	-50.73	385.14	7.49	-43.24
CC1(C)OC2(CNCC3=NOC(C4CC4)=C3)CCC1(C(=O)[O-])CC2	REAL300018644949	1	49	-1.0	-48.98	367.71	7.40	-41.58
CC1(C)OC2(CNCC3=NC(C4CC4)=CS3)CCC1(C(=O)[O-])CC2	REAL300018644956	1	49	-1.0	-48.11	373.20	6.53	-41.58
CC1(C)OC2(CNCC3=CN(CC4CC4)N=N3)CCC1(C(=O)[O-])CC2	REAL300018644957	1	52	-1.0	-53.22	388.67	6.56	-46.66
CC1(C)OC2(CNCC3=NC4=C(CCCC4)N3)CCC1(C(=O)[O-])CC2	REAL300018644959	1	53	-1.0	-50.91	382.08	6.76	-44.15
CCN1C=CC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644972	1	49	-1.0	-50.27	363.53	6.24	-44.03
CCCN1C=CC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644982	1	52	-1.0	-49.97	385.03	7.00	-42.97
CC(C)N1C=CC(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644983	1	52	-1.0	-49.95	382.20	6.75	-43.20
CC1(C)OC2(CNCC3=NN(CC(F)(F)F)C=C3)CCC1(C(=O)[O-])CC2	REAL300018644986	1	49	-1.0	-52.37	381.41	6.74	-45.63
CN1C(CNCC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=NC2=C1CCCC2	REAL300018644987	1	56	-1.0	-54.11	401.15	8.00	-46.11
O=C([O-])C12CCC(CNCC3=CSC(C4=CC=CC=N4)=N3)(CC1)OC2	REAL300018648636	1	45	-1.0	-55.44	371.83	5.66	-49.78
CC1=CC=C(C2=NC(CNCC34CCC(C(=O)[O-])(CC3)CO4)=CS2)C=C1	REAL300018648667	1	49	-1.0	-50.43	397.82	8.20	-42.23
CC(C)C1=NC(CNCC23CCC(C(=O)[O-])(CC2)CO3)=CS1	REAL300018648668	1	45	-1.0	-48.76	359.33	5.77	-42.99
O=C([O-])C12CCC(CNCC3=CSC(C4CC4)=N3)(CC1)OC2	REAL300018648669	1	43	-1.0	-49.17	348.02	5.96	-43.21
O=C([O-])C12CCC(CNCC3=CSC(COC4=CC=CC=C4)=N3)(CC1)OC2	REAL300018648671	1	50	-1.0	-52.80	408.00	7.05	-45.75
CCC1=NC(CNCC23CCC(C(=O)[O-])(CC2)CO3)=CS1	REAL300018648672	1	42	-1.0	-48.74	339.62	5.20	-43.54
CC(C)(C)C1=NC(CNCC23CCC(C(=O)[O-])(CC2)CO3)=CS1	REAL300018648680	1	48	-1.0	-48.63	378.28	6.28	-42.35
O=C([O-])C12CCC(CNCC3=CSC(C4=CSC=C4)=N3)(CC1)OC2	REAL300018648681	1	43	-1.0	-49.59	367.45	6.47	-43.12
O=C([O-])C12CCC(CNCC3=CN(C4=CC=CC=C4)N=N3)(CC1)OC2	REAL300018648708	1	46	-1.0	-55.76	364.48	6.56	-49.20
O=C([O-])C12CCC(CNCC3=NC=CN3CC(F)(F)F)(CC1)OC2	REAL300018648721	1	43	-1.0	-54.73	344.72	6.95	-47.78
O=C([O-])C12CCC(CNCC3=COC(C4=CC=CC=C4)=N3)(CC1)OC2	REAL300018648725	1	46	-1.0	-52.52	368.23	5.17	-47.35
O=C([O-])C12CCC(CNCC3=CSC(C4=CC=CS4)=N3)(CC1)OC2	REAL300018648726	1	43	-1.0	-50.82	368.04	6.56	-44.26
O=C([O-])C12CCC(CNCC3=C(Cl)C=NC=C3Cl)(CC1)OC2	REAL300018648753	1	39	-1.0	-47.62	333.47	5.44	-42.18
CC(C)N1C=CN=C1CNCC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648814	1	46	-1.0	-51.24	352.42	6.55	-44.69
O=C([O-])C12CCC(CNCC3=NN(C4=CC=CC=C4)C=C3)(CC1)OC2	REAL300018648820	1	47	-1.0	-53.33	370.46	7.85	-45.48
O=C([O-])C12CCC(CNCC3=NN4CCCCC4=C3)(CC1)OC2	REAL300018648823	1	47	-1.0	-51.72	356.17	6.06	-45.66
O=C([O-])C12CCC(CNCC3=CN(C4=CC=C(F)C=C4)N=N3)(CC1)OC2	REAL300018648832	1	46	-1.0	-57.71	369.32	6.28	-51.43
O=C([O-])C12CCC(CNCC3=NC(Cl)=CS3)(CC1)OC2	REAL300018648863	1	36	-1.0	-48.47	313.33	4.30	-44.17
NS(=O)(=O)C1=CC=C(CNCC23CCC(C(=O)[O-])(CC2)CO3)O1	REAL300018648897	1	42	-1.0	-57.17	348.93	-0.13	-57.30
O=C([O-])C12CCC(CNCC3=NC=C(Br)S3)(CC1)OC2	REAL300018648913	1	36	-1.0	-47.21	318.05	4.61	-42.60
O=C([O-])C12CCC(CNCC3=NN4CCCC4=C3)(CC1)OC2	REAL300018648927	1	44	-1.0	-53.17	338.11	5.24	-47.93
O=C([O-])C12CCC(CNCC3=NC=C(C(F)(F)F)S3)(CC1)OC2	REAL300018648928	1	39	-1.0	-47.73	337.20	5.05	-42.68
CN(C)CC1=NC(CNCC23CCC(C(=O)[O-])(CC2)CO3)=CS1	REAL300018648945	1	47	-1.0	-49.76	372.61	3.22	-46.54
O=C([O-])C12CCC(CNCC3=C(F)C=NC=C3Br)(CC1)OC2	REAL300018648964	1	39	-1.0	-46.64	330.28	5.43	-41.21
O=C([O-])C12CCC(CNCC3=C(C4CC4)N(C4=CC=CC=C4)N=N3)(CC1)OC2	REAL300018648980	1	53	-1.0	-54.43	413.40	8.06	-46.37
CCC1=CN=C(CNCC23CCC(C(=O)[O-])(CC2)CO3)S1	REAL300018648984	1	42	-1.0	-47.99	339.75	5.46	-42.53
O=C([O-])C12CCC(CNCC3=NOC(C4CCC4)=C3)(CC1)OC2	REAL300018648993	1	46	-1.0	-50.32	354.97	6.93	-43.39
CC1(C2=CC(CNCC34CCC(C(=O)[O-])(CC3)CO4)=NO2)CC1	REAL300018648994	1	46	-1.0	-50.05	359.15	6.89	-43.16
O=C([O-])C1=CC2=C(C=C(CNCC3=CC(Cl)=CC=C3[N+](=O)[O-])S2)S1	REAL300018650577	1	34	-1.0	-53.75	344.47	9.45	-44.30
COC1=CC=C(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(Cl)=C1OC	REAL300018650581	1	40	-1.0	-54.21	382.40	7.93	-46.28
O=C([O-])C1=CC2=C(C=C(CNCC3=CSC([N+](=O)[O-])=C3)S2)S1	REAL300018650588	1	31	-1.0	-54.34	326.07	7.98	-46.36
O=C([O-])C1=CC2=C(C=C(CNCC3=NC=CS3)S2)S1	REAL300018650600	0	28	-1.0	-50.45	290.81	5.32	-45.13
O=C([O-])C1=CC2=C(C=C(CNCC3=CN=CN=C3)S2)S1	REAL300018650602	1	30	-1.0	-52.40	295.66	6.18	-46.22
CN1C2=CC=CC=C2N=C1CNCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650614	1	38	-1.0	-56.02	352.44	8.53	-47.49
O=C([O-])C1=CC2=C(C=C(CNCC3=CN=CS3)S2)S1	REAL300018650619	1	28	-1.0	-50.72	290.78	5.42	-45.30
CC1=NN(C)C(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650623	1	35	-1.0	-53.52	328.58	6.33	-47.19
O=C([O-])C1=CC2=C(C=C(CNCC3=CC=CC4=C3OC(F)(F)O4)S2)S1	REAL300018650625	1	35	-1.0	-53.06	345.59	7.27	-45.79
O=C([O-])C1=CC2=C(C=C(CNCC3=CSC=N3)S2)S1	REAL300018650632	0	28	-1.0	-50.32	290.64	5.17	-45.15
CN1N=CC=C1CNCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650639	1	32	-1.0	-53.63	306.65	5.74	-47.89
O=C([O-])C1=CC2=C(C=C(CNCC3=CN=C(N4CCCC4)N=C3)S2)S1	REAL300018650641	1	42	-1.0	-54.35	375.05	8.05	-46.30
O=C([O-])C1=CC2=C(C=C(CNCC3=CSC(C4=CC=CC=N4)=N3)S2)S1	REAL300018650646	0	37	-1.0	-57.32	366.29	7.10	-50.22
CC(C)N1C2=CC=CC=C2N=C1CNCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650647	1	44	-1.0	-55.21	387.40	9.76	-45.45
COC1=NC=CC=C1CNCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650648	1	35	-1.0	-52.82	332.04	4.93	-47.89
O=C([O-])C1=CC2=C(C=C(CNCC3=CC=C(Br)C=N3)S2)S1	REAL300018650649	1	31	-1.0	-50.41	322.32	6.94	-43.47
O=C([O-])C1=CC2=C(C=C(CNCC3=CC=CC4=C3OCCO4)S2)S1	REAL300018650653	1	38	-1.0	-51.71	349.09	7.37	-44.34
O=C([O-])C1=CC2=C(C=C(CNCC3=CC=CC4=C3OCCCO4)S2)S1	REAL300018650654	1	41	-1.0	-54.35	367.88	8.15	-46.20
O=C([O-])C1=CC2=C(C=C(CNCC3=CN=C(C4=CC=CC=C4)N=C3)S2)S1	REAL300018650657	1	40	-1.0	-55.16	375.19	9.46	-45.70
O=C([O-])C1=CC2=C(C=C(CNCC3=CN=C(N4CCOCC4)N=C3)S2)S1	REAL300018650658	1	43	-1.0	-54.79	384.17	6.55	-48.24
CCCN1C2=CC=CC=C2N=C1CNCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650659	1	44	-1.0	-55.43	395.74	10.19	-45.24
CC1=NC=C(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=N1	REAL300018650665	1	33	-1.0	-53.11	317.49	6.16	-46.95
CC(C)C1=NC(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CS1	REAL300018650674	0	37	-1.0	-51.07	353.79	7.20	-43.87
O=C([O-])C1=CC2=C(C=C(CNCC3=CSC(C4CC4)=N3)S2)S1	REAL300018650675	0	35	-1.0	-50.71	342.48	7.39	-43.32
CCC1=NC(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CS1	REAL300018650676	0	34	-1.0	-50.29	334.07	6.64	-43.65
CC(C)(C)C1=NC(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CS1	REAL300018650683	0	40	-1.0	-50.85	372.73	7.71	-43.14
O=C([O-])C1=CC2=C(C=C(CNCC3=CSC(C4=CSC=C4)=N3)S2)S1	REAL300018650684	0	35	-1.0	-51.94	361.91	7.90	-44.04
O=C([O-])C1=CC2=C(C=C(CNCC3=CN4C=C(Cl)C=CC4=N3)S2)S1	REAL300018650687	1	35	-1.0	-53.26	349.72	9.18	-44.08
CCOC1=CC=C([N+](=O)[O-])C=C1CNCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650700	1	41	-1.0	-53.51	384.51	9.10	-44.41
CCN1C=CN=C1CNCC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650702	0	35	-1.0	-54.06	327.76	7.43	-46.63
O=C([O-])C1=CC2=C(C=C(CNCC3=CN(C4=CC=CC=C4)N=N3)S2)S1	REAL300018650704	0	38	-1.0	-58.18	358.93	7.99	-50.19
O=C([O-])C1=CC2=C(C=C(CNCC3=NC(C4=CC=CC=C4)=CS3)S2)S1	REAL300018650705	1	38	-1.0	-54.09	369.12	8.94	-45.15
COC1=CC(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C2OC(C)CC2=C1	REAL300018650713	1	44	-1.0	-52.65	392.47	8.04	-44.61
CN1N=C(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C2=CC=CC=C21	REAL300018650714	1	38	-1.0	-54.23	355.97	8.09	-46.14
CN1C=CC(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)=N1	REAL300018650715	0	32	-1.0	-53.08	308.90	5.88	-47.20
O=C([O-])C1=CC2=C(C=C(CNCC3=NC=CN3CC(F)(F)F)S2)S1	REAL300018650718	0	35	-1.0	-54.99	343.22	7.68	-47.31
CC1=NSC(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650721	1	31	-1.0	-51.86	312.58	6.59	-45.27
O=C([O-])C1=CC2=C(C=C(CNCC3=COC(C4=CC=CC=C4)=N3)S2)S1	REAL300018650722	0	38	-1.0	-54.80	362.69	6.60	-48.20
O=C([O-])C1=CC2=C(C=C(CNCC3=CSC(C4=CC=CS4)=N3)S2)S1	REAL300018650723	0	35	-1.0	-53.03	362.50	8.00	-45.03
CC1=CSC(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)=N1	REAL300018650726	0	31	-1.0	-51.94	312.61	5.91	-46.03
O=C([O-])C1=CC2=C(C=C(CNCC3=NC(C4=CC=CC=C4)=CN3)S2)S1	REAL300018650731	1	39	-1.0	-57.05	364.95	8.50	-48.55
COC1=CC2=C(C=C1CNCC1=CC3=C(C=C(C(=O)[O-])S3)S1)OCO2	REAL300018650742	1	39	-1.0	-52.17	360.36	6.17	-46.00
COC1=CC(Cl)=C(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1OC	REAL300018650743	1	40	-1.0	-52.39	376.73	7.84	-44.55
O=C([O-])C1=CC2=C(C=C(CNCC3=C(Cl)C=NC=C3Cl)S2)S1	REAL300018650752	0	31	-1.0	-49.00	329.48	7.22	-41.78
O=C([O-])C1=CC2=C(C=C(CNCC3=NC4=C(CCCC4)S3)S2)S1	REAL300018650753	1	38	-1.0	-51.01	354.54	7.92	-43.09
O=C([O-])C1=CC2=C(C=C(CNCC3=CC=NC=C3Br)S2)S1	REAL300018650754	1	31	-1.0	-51.17	319.66	6.95	-44.22
O=C([O-])C1=CC2=C(C=C(CNCC3=CC=NC=C3Cl)S2)S1	REAL300018650755	1	31	-1.0	-51.24	315.77	6.82	-44.42
CC1=CC(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)=NN1C	REAL300018650758	0	35	-1.0	-53.74	328.39	6.34	-47.40
CCC1=NC=C(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=N1	REAL300018650761	1	36	-1.0	-53.00	338.98	6.76	-46.24
CC1=CC(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)=NO1	REAL300018650763	0	31	-1.0	-52.71	302.95	6.32	-46.39
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CC(C)(C)C1=NC=C(CNCC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=N1	REAL300018650775	1	42	-1.0	-52.47	377.65	8.13	-44.34
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CN(C)CC1=NC(CNCCCCC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300018669498	1	47	-1.0	-48.38	400.47	5.07	-43.31
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CC1(C2=CC(CNCCCCC(CC(F)(F)F)C(=O)[O-])=NO2)CC1	REAL300018669528	1	46	-1.0	-48.39	386.85	8.74	-39.65
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CC1=CN2C=C(CNC(C(=O)[O-])C3CCCCO3)N=C2C=C1	REAL300018669698	0	42	-1.0	-58.01	337.84	6.91	-51.10
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CN(C)CC1=CN=C(CNC(C(=O)[O-])C2CCCCO2)S1	REAL300018669701	0	43	-1.0	-48.16	350.22	2.45	-45.71
CC1=CC=CC=C1N1C=C(CNC(C(=O)[O-])C2CCCCO2)N=N1	REAL300018669703	0	45	-1.0	-64.87	362.91	6.66	-58.21
CC1=C(CNC(C(=O)[O-])C2CCCCO2)N2C(C3CC3)=CSC2=N1	REAL300018669708	0	46	-1.0	-51.72	372.05	8.11	-43.61
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CC1=NN(C)C(Cl)=C1CNC(C(=O)[O-])C1CCCCO1	REAL300018669722	1	39	-1.0	-48.04	328.15	4.84	-43.20
COC1=CC=C2OC(CNC(C(=O)[O-])C3CCCCO3)=CC2=C1	REAL300018669739	0	43	-1.0	-50.70	346.02	5.50	-45.20
CC1=C(CNC(C(=O)[O-])C2CCCCO2)C2=CC=CC=C2O1	REAL300018669740	1	42	-1.0	-59.41	337.07	7.06	-52.35
O=C([O-])C(NCC1=CN=C2C=CSC2=C1)C1CCCCO1	REAL300018669743	1	38	-1.0	-53.84	319.59	5.25	-48.59
CN1C2=CC(Cl)=CC=C2N=C1CNC(C(=O)[O-])C1CCCCO1	REAL300018669744	0	42	-1.0	-59.42	352.81	6.88	-52.54
CC1=NN2C(=NC(C)=C2CNC(C(=O)[O-])C2CCCCO2)S1	REAL300018669747	0	41	-1.0	-57.24	342.16	5.14	-52.10
CN1C2=CC=C(Cl)C=C2N=C1CNC(C(=O)[O-])C1CCCCO1	REAL300018669749	0	42	-1.0	-48.51	352.05	6.87	-41.64
CC1(C)CCC2=C(C1)SC(CNC(C(=O)[O-])C1CCCCO1)=N2	REAL300018669755	0	48	-1.0	-48.80	374.28	6.83	-41.97
O=C([O-])C(NCC1=CN=C(C2CCCO2)S1)C1CCCCO1	REAL300018669756	0	43	-1.0	-51.11	351.05	3.91	-47.20
CCN1N=C(CNC(C(=O)[O-])C2CCCCO2)C2=CC=CC=C21	REAL300018669759	0	45	-1.0	-52.60	358.76	6.47	-46.13
O=C([O-])C(NCC1=CC=C(Br)O1)C1CCCCO1	REAL300018669772	0	33	-1.0	-45.26	291.12	4.55	-40.71
COC1=CC=C2N=C(CNC(C(=O)[O-])C3CCCCO3)SC2=C1	REAL300018669774	0	42	-1.0	-54.24	350.45	4.75	-49.49
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COC1=CC(Br)=C(CNC(C(=O)[O-])C2CCCCO2)C=C1O	REAL300018669784	1	41	-1.0	-54.83	345.29	3.46	-51.37
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CC(O)C1=NC=C(CNC(C(=O)[O-])C2CCCCO2)S1	REAL300018669790	0	39	-1.0	-51.58	326.74	1.37	-50.21
CN1N=CC(Br)=C1CNC(C(=O)[O-])C1CCCCO1	REAL300018669792	0	36	-1.0	-47.37	310.59	4.15	-43.22
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CC(C)(C)C1=CN=C(CNC(C(=O)[O-])C2CCCCO2)S1	REAL300018669795	0	44	-1.0	-51.43	355.44	5.74	-45.69
CSC1=CC=C(CNC(C(=O)[O-])C2CCCCO2)S1	REAL300018669796	1	37	-1.0	-51.40	321.24	6.09	-45.31
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CN1C=C(C2=CC=C(CNC(C(=O)[O-])C3CCCCO3)S2)C=N1	REAL300018669804	1	43	-1.0	-51.54	360.96	6.37	-45.17
O=C([O-])C(NCC1=C(Cl)N(CC2=CC=CC=C2)N=C1)C1CCCCO1	REAL300018669806	1	46	-1.0	-53.32	388.44	7.92	-45.40
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O=C([O-])C(NCC1=CN=C(C2=CC=CC=C2F)S1)C1CCCCO1	REAL300018669819	0	42	-1.0	-51.95	359.54	7.46	-44.49
CN1C=C(C2=NC(CNC(C(=O)[O-])C3CCCCO3)=CS2)C=N1	REAL300018669820	0	42	-1.0	-52.94	356.51	4.27	-48.67
CC(C)(C)C1=CSC(CNC(C(=O)[O-])C2CCCCO2)=N1	REAL300018669825	0	44	-1.0	-50.51	353.39	5.69	-44.82
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O=C([O-])C(NCC1=CN=C(C2CCCCC2)S1)C1CCCCO1	REAL300018669830	0	48	-1.0	-53.62	380.08	6.96	-46.66
CC(C)CC1=NC=C(CNC(C(=O)[O-])C2CCCCO2)S1	REAL300018669831	0	44	-1.0	-48.41	353.41	5.64	-42.77
O=C([O-])C(NCC1=CN=C(C2=CC=CS2)S1)C1CCCCO1	REAL300018669832	0	39	-1.0	-54.82	346.00	6.04	-48.78
O=C([O-])C(NCC1=CN=C(C2=CC=CC(Cl)=C2)S1)C1CCCCO1	REAL300018669833	0	42	-1.0	-54.10	370.56	7.48	-46.62
O=C([O-])C(NCC1=CN=C(C2=CSC=C2)S1)C1CCCCO1	REAL300018669834	0	39	-1.0	-53.31	345.00	5.96	-47.35
CC1=CC=C(C2=NC=C(CNC(C(=O)[O-])C3CCCCO3)S2)C=C1C	REAL300018669835	1	48	-1.0	-54.72	392.24	8.23	-46.49
CC1=CC=C(C2=NC=C(CNC(C(=O)[O-])C3CCCCO3)S2)O1	REAL300018669836	0	42	-1.0	-49.26	356.72	5.61	-43.65
O=C([O-])C(NCC1=CN=C(CCC2=CC=CC=C2)S1)C1CCCCO1	REAL300018669839	0	48	-1.0	-48.84	396.60	8.20	-40.64
COCCC1=NC=C(CNC(C(=O)[O-])C2CCCCO2)S1	REAL300018669840	0	42	-1.0	-51.53	349.67	3.75	-47.78
O=C([O-])C(NCC1=NC2=CC(Br)=CC=C2O1)C1CCCCO1	REAL300018669842	0	38	-1.0	-52.06	332.72	3.55	-48.51
COC1=CC=C(CN2C=C(CNC(C(=O)[O-])C3CCCCO3)N=N2)C=C1	REAL300018669847	0	49	-1.0	-68.24	396.77	5.58	-62.66
O=C([O-])C(NCC1=CN=C(C2=CC=CN=C2)S1)C1CCCCO1	REAL300018669850	0	41	-1.0	-54.92	348.86	5.23	-49.69
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O=C([O-])C1=CC(CNCC2=CSC=N2)=CC=C1C(F)(F)F	REAL300018682797	0	31	-1.0	-51.39	292.86	5.25	-46.14
O=C([O-])C1=CC(CNCC2=CN(C3=CC=C(F)C=C3)N=C2)=CC=C1C(F)(F)F	REAL300018682800	1	42	-1.0	-52.41	373.50	9.53	-42.88
CC1=NNC(C)=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682801	1	38	-1.0	-53.49	328.74	5.78	-47.71
CC(C)(C)N1C=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300018682802	1	44	-1.0	-51.49	371.02	8.07	-43.42
CN1N=CC=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682803	1	35	-1.0	-52.33	308.88	5.82	-46.51
O=C([O-])C1=CC(CNCC2=CN=C(N3CCCC3)N=C2)=CC=C1C(F)(F)F	REAL300018682804	1	45	-1.0	-54.11	377.28	8.13	-45.98
CC(C)C1=NN(C)C=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682806	1	44	-1.0	-54.47	373.46	7.88	-46.59
O=C([O-])C1=CC(CNCC2=CSC(C3=CC=CC=N3)=N2)=CC=C1C(F)(F)F	REAL300018682809	0	40	-1.0	-60.10	368.52	7.17	-52.93
CC(C)N1C2=CC=CC=C2N=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682810	0	47	-1.0	-61.90	389.64	9.83	-52.07
COC1=NC=CC=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682811	1	38	-1.0	-51.05	334.27	5.01	-46.04
O=C([O-])C1=CC(CNCC2=CC=C(Br)C=N2)=CC=C1C(F)(F)F	REAL300018682812	1	34	-1.0	-49.31	324.55	7.02	-42.29
CC1=NC=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300018682814	1	34	-1.0	-53.83	314.95	6.20	-47.63
O=C([O-])C1=CC(CNCC2=CC=CC3=C2OCCO3)=CC=C1C(F)(F)F	REAL300018682815	1	41	-1.0	-51.74	351.60	7.43	-44.31
O=C([O-])C1=CC(CNCC2=CC=CC3=C2OCCCO3)=CC=C1C(F)(F)F	REAL300018682816	1	44	-1.0	-54.85	370.07	8.21	-46.64
O=C([O-])C1=CC(CNCC2=CN=C(C3=CC=CC=C3)N=C2)=CC=C1C(F)(F)F	REAL300018682819	1	43	-1.0	-54.58	377.42	9.53	-45.05
O=C([O-])C1=CC(CNCC2=CN=C(N3CCOCC3)N=C2)=CC=C1C(F)(F)F	REAL300018682820	1	46	-1.0	-54.09	386.40	6.63	-47.46
CCCN1C2=CC=CC=C2N=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682821	0	47	-1.0	-57.70	398.82	10.28	-47.42
CC1=NC=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300018682827	1	36	-1.0	-54.79	319.72	6.23	-48.56
CCC1=NC=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300018682829	1	37	-1.0	-53.63	336.44	6.95	-46.68
O=C([O-])C1=CC(CNCC2=CN=C3C=CC=CN23)=CC=C1C(F)(F)F	REAL300018682833	1	38	-1.0	-56.85	335.10	8.68	-48.17
CN(C)C1=NC=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300018682834	1	39	-1.0	-54.81	349.87	7.16	-47.65
CC(C)C1=NC(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CS1	REAL300018682836	0	40	-1.0	-55.95	356.02	7.28	-48.67
O=C([O-])C1=CC(CNCC2=CSC(C3CC3)=N2)=CC=C1C(F)(F)F	REAL300018682837	0	38	-1.0	-51.76	344.70	7.47	-44.29
CCC1=NC(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CS1	REAL300018682838	0	37	-1.0	-52.57	336.30	6.71	-45.86
CC(C)(C)C1=NC(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CS1	REAL300018682845	0	43	-1.0	-52.45	374.96	7.78	-44.67
O=C([O-])C1=CC(CNCC2=CSC(C3=CSC=C3)=N2)=CC=C1C(F)(F)F	REAL300018682846	0	38	-1.0	-56.95	364.13	7.97	-48.98
O=C([O-])C1=CC(CNCC2=CC=CC=C2OC2CCCC2)=CC=C1C(F)(F)F	REAL300018682848	1	49	-1.0	-54.31	402.24	10.50	-43.81
O=C([O-])C1=CC(CNCC2=CN3C=C(Cl)C=CC3=N2)=CC=C1C(F)(F)F	REAL300018682849	0	38	-1.0	-55.97	351.95	9.26	-46.71
CC(C)(C)C1=NC=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300018682850	1	43	-1.0	-53.67	375.09	8.03	-45.64
O=C([O-])C1=CC(CNCC2=CC(C3=CC=CC=C3)=NN2)=CC=C1C(F)(F)F	REAL300018682860	1	42	-1.0	-53.76	367.65	8.17	-45.59
CCOC1=CC=C([N+](=O)[O-])C=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682861	0	44	-1.0	-54.09	386.74	9.18	-44.91
CCN1C=CN=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682863	0	38	-1.0	-51.87	325.26	7.59	-44.28
O=C([O-])C1=CC(CNCC2=CN(C3=CC=CC=C3)N=N2)=CC=C1C(F)(F)F	REAL300018682866	0	41	-1.0	-55.37	361.16	8.08	-47.29
O=C([O-])C1=CC(CNCC2=NC(C3=CC=CC=C3)=CS2)=CC=C1C(F)(F)F	REAL300018682867	0	41	-1.0	-52.09	371.35	9.01	-43.08
CCN1N=C(C)C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1C	REAL300018682868	1	44	-1.0	-54.19	370.93	7.85	-46.34
O=C([O-])C1=CC(CNCC2=CN=C(C3=CC=CC=C3)S2)=CC=C1C(F)(F)F	REAL300018682870	1	41	-1.0	-55.05	373.28	9.27	-45.78
COC1=CC(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C2OC(C)CC2=C1	REAL300018682875	1	47	-1.0	-56.75	394.69	8.12	-48.63
CN1N=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300018682876	0	41	-1.0	-55.86	358.20	8.17	-47.69
CN1C=CC(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300018682877	0	35	-1.0	-58.40	311.12	5.95	-52.45
O=C([O-])C1=CC(CNCC2=NC=CN2CC(F)(F)F)=CC=C1C(F)(F)F	REAL300018682880	0	38	-1.0	-52.21	345.79	7.75	-44.46
CC1=NSC(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682883	1	34	-1.0	-50.53	314.80	6.67	-43.86
O=C([O-])C1=CC(CNCC2=COC(C3=CC=CC=C3)=N2)=CC=C1C(F)(F)F	REAL300018682884	0	41	-1.0	-60.20	364.91	6.68	-53.52
O=C([O-])C1=CC(CNCC2=CSC(C3=CC=CS3)=N2)=CC=C1C(F)(F)F	REAL300018682885	0	38	-1.0	-51.73	364.73	8.07	-43.66
CC1=CSC(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300018682888	0	34	-1.0	-50.21	314.84	5.98	-44.23
CN(C)C1=NC=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)N1C	REAL300018682892	1	43	-1.0	-57.01	366.90	7.32	-49.69
O=C([O-])C1=CC(CNCC2=NC(C3=CC=CC=C3)=CN2)=CC=C1C(F)(F)F	REAL300018682893	0	42	-1.0	-59.07	367.18	8.57	-50.50
COC1=CC2=C(C=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)OCO2	REAL300018682905	1	42	-1.0	-53.05	362.73	6.24	-46.81
COC1=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)SC=C1	REAL300018682906	1	36	-1.0	-51.05	328.37	6.65	-44.40
CC(C)COC1=CC=CC=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682911	1	48	-1.0	-49.46	400.15	10.02	-39.44
CC1(C)CC2=CC=CC(CNCC3=CC=C(C(F)(F)F)C(C(=O)[O-])=C3)=C2O1	REAL300018682913	1	46	-1.0	-52.94	385.55	9.46	-43.48
O=C([O-])C1=CC(CNCC2=C(Cl)C=NC=C2Cl)=CC=C1C(F)(F)F	REAL300018682914	0	34	-1.0	-51.23	331.72	7.29	-43.94
O=C([O-])C1=CC(CNCC2=NC3=C(CCCC3)S2)=CC=C1C(F)(F)F	REAL300018682915	0	41	-1.0	-50.87	356.77	7.99	-42.88
O=C([O-])C1=CC(CNCC2=CC=NC=C2Br)=CC=C1C(F)(F)F	REAL300018682916	0	34	-1.0	-51.06	319.25	7.06	-44.00
O=C([O-])C1=CC(CNCC2=CC=NC=C2Cl)=CC=C1C(F)(F)F	REAL300018682917	0	34	-1.0	-51.09	315.63	6.95	-44.14
CC1=CC(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=NN1C	REAL300018682920	0	38	-1.0	-55.46	330.61	6.41	-49.05
CCC1=NC=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300018682923	1	39	-1.0	-52.26	341.21	6.83	-45.43
CC1=CC(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=NO1	REAL300018682925	0	34	-1.0	-54.46	305.18	6.39	-48.07
CCN1C=NC=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682926	1	38	-1.0	-51.88	325.09	8.38	-43.50
CC1=NC=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)N1C	REAL300018682927	1	38	-1.0	-58.62	327.93	7.17	-51.45
O=C([O-])C1=CC(CNCC2=CN=C3CCCN23)=CC=C1C(F)(F)F	REAL300018682931	1	39	-1.0	-56.15	334.26	7.84	-48.31
O=C([O-])C1=CC(CNCC2=CC=C(F)C=N2)=CC=C1C(F)(F)F	REAL300018682933	1	34	-1.0	-49.76	309.63	6.50	-43.26
CC1=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)SC=N1	REAL300018682934	1	34	-1.0	-53.32	312.55	5.99	-47.33
COC1=CC(F)=CC(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682935	1	39	-1.0	-53.64	344.17	7.62	-46.02
CC(C)(C)C1=NC=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300018682937	1	45	-1.0	-52.30	379.88	8.20	-44.10
CC1=NOC(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682938	0	34	-1.0	-53.87	305.18	6.42	-47.45
CC1=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=CO1	REAL300018682939	1	35	-1.0	-53.85	308.41	7.03	-46.82
CC1=CC=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300018682940	1	38	-1.0	-48.57	344.06	9.34	-39.23
O=C([O-])C1=CC(CNCC2=CC=C([N+](=O)[O-])C(Cl)=C2)=CC=C1C(F)(F)F	REAL300018682941	1	37	-1.0	-55.37	348.92	9.30	-46.07
O=C([O-])C1=CC(CNCC2=NOC=C2)=CC=C1C(F)(F)F	REAL300018682943	0	31	-1.0	-54.56	283.24	5.58	-48.98
O=C([O-])C1=CC(CNCC2=C(Cl)C=CC3=CC=CN=C32)=CC=C1C(F)(F)F	REAL300018682946	1	40	-1.0	-53.75	362.00	9.17	-44.58
O=C([O-])C1=CC(CNCC2=CC=C([N+](=O)[O-])C=C2Cl)=CC=C1C(F)(F)F	REAL300018682951	0	37	-1.0	-57.82	350.87	9.34	-48.48
COCC1=CC=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300018682961	1	39	-1.0	-53.15	344.58	6.26	-46.89
CC1=CN=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300018682966	0	34	-1.0	-56.75	305.66	3.80	-52.95
CC1=CNC(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300018682968	0	35	-1.0	-59.70	309.60	5.59	-54.11
COC1=CC(C)=CC=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682970	1	42	-1.0	-50.24	358.09	8.26	-41.98
NC1=C(Cl)C=C(Cl)C=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682972	1	37	-1.0	-50.63	351.27	7.25	-43.38
CC1=NC(C)=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300018682974	0	37	-1.0	-53.92	326.30	4.39	-49.53
CC1=CC=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)N=C1	REAL300018682977	1	37	-1.0	-50.40	324.67	7.08	-43.32
O=C([O-])C1=CC(CNCC2=CC=NS2)=CC=C1C(F)(F)F	REAL300018682978	1	31	-1.0	-55.16	293.05	6.07	-49.09
CC(C)N1C=CN=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682979	0	41	-1.0	-55.55	349.11	8.07	-47.48
CC1=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=CC=C1[N+](=O)[O-]	REAL300018682980	1	40	-1.0	-59.93	348.23	9.27	-50.66
COC1=CC=CC(C)=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682983	1	42	-1.0	-51.64	353.42	8.13	-43.51
O=C([O-])C1=CC(CNCC2=NN(C3=CC=CC=C3)C=C2)=CC=C1C(F)(F)F	REAL300018682985	0	42	-1.0	-60.97	367.14	9.36	-51.61
O=C([O-])C1=CC(CNCC2=CN=C(C(F)(F)F)S2)=CC=C1C(F)(F)F	REAL300018682986	0	34	-1.0	-53.80	334.32	6.65	-47.15
CCC1=NN(C)C=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682988	1	41	-1.0	-52.78	353.87	7.35	-45.43
O=C([O-])C1=CC(CNCC2=NN3CCCCC3=C2)=CC=C1C(F)(F)F	REAL300018682989	0	42	-1.0	-52.97	352.85	7.58	-45.39
COC1=NC=C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300018682991	1	35	-1.0	-53.62	325.76	3.85	-49.77
CC1=NC=CN=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682993	0	36	-1.0	-53.21	315.22	5.06	-48.15
O=C([O-])C1=CC(CNCC2=CC3=C(C=N2)OCCO3)=CC=C1C(F)(F)F	REAL300018682995	0	40	-1.0	-54.79	347.68	5.61	-49.18
O=C([O-])C1=CC(CNCC2=CN=C3C=CC(Cl)=CN23)=CC=C1C(F)(F)F	REAL300018682996	1	38	-1.0	-53.49	351.82	9.18	-44.31
CCN1N=CN=C1CNCC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682999	0	37	-1.0	-53.87	325.34	7.36	-46.51
CN1C(CNCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300018683000	1	35	-1.0	-56.77	324.59	7.11	-49.66
O=C([O-])C12CCC(CNCC3=CSC(C4=CC=CC=N4)=N3)(C1)OC2	REAL300018692387	1	42	-1.0	-52.61	360.33	4.68	-47.93
CC1=CC=C(C2=NC(CNCC34CCC(C(=O)[O-])(CO3)C4)=CS2)C=C1	REAL300018692416	1	46	-1.0	-48.14	386.48	7.23	-40.91
CC(C)C1=NC(CNCC23CCC(C(=O)[O-])(CO2)C3)=CS1	REAL300018692417	1	42	-1.0	-46.77	346.84	4.72	-42.05
O=C([O-])C12CCC(CNCC3=CSC(C4CC4)=N3)(C1)OC2	REAL300018692418	1	40	-1.0	-47.13	336.68	4.98	-42.15
O=C([O-])C12CCC(CNCC3=CSC(COC4=CC=CC=C4)=N3)(C1)OC2	REAL300018692420	1	47	-1.0	-49.58	396.50	6.06	-43.52
CC1=CC=C(OCC2=NC(CNCC34CCC(C(=O)[O-])(CO3)C4)=CS2)C=C1	REAL300018692429	1	50	-1.0	-49.53	417.91	6.73	-42.80
CC(C)(C)C1=NC(CNCC23CCC(C(=O)[O-])(CO2)C3)=CS1	REAL300018692431	1	45	-1.0	-46.56	366.93	5.30	-41.26
O=C([O-])C12CCC(CNCC3=CSC(C4=CSC=C4)=N3)(C1)OC2	REAL300018692432	1	40	-1.0	-47.41	356.11	5.49	-41.92
O=C([O-])C12CCC(CNCC3=CN(C4=CC=CC=C4)N=N3)(C1)OC2	REAL300018692461	1	43	-1.0	-52.32	352.97	5.57	-46.75
O=C([O-])C12CCC(CNCC3=NC=CN3CC(F)(F)F)(C1)OC2	REAL300018692473	1	40	-1.0	-51.23	333.64	6.26	-44.97
O=C([O-])C12CCC(CNCC3=CSC(C4=CC=C5OCOC5=C4)=N3)(C1)OC2	REAL300018692476	1	46	-1.0	-48.24	390.96	5.21	-43.03
O=C([O-])C12CCC(CNCC3=COC(C4=CC=CC=C4)=N3)(C1)OC2	REAL300018692478	1	43	-1.0	-52.13	355.61	4.11	-48.02
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CC1(C2=CC(CNCC34CC(C(=O)[O-])(CO3)CCC4)=NO2)CC1	REAL300018693991	1	46	-1.0	-47.40	356.12	6.45	-40.95
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COC1=CC=C(CNC(C(=O)[O-])C2=CC=CC(O)=C2)C=C1[N+](=O)[O-]	REAL300018695762	1	39	-1.0	-48.88	342.77	5.81	-43.07
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CCOC1=CC=C(CNC(C(=O)[O-])C2=CC=CC(O)=C2)C=C1OCC	REAL300018695766	1	47	-1.0	-52.32	389.70	6.11	-46.21
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COC1=CC(CNC(C(=O)[O-])C2=CC=CC(O)=C2)=CC=C1OCC(F)(F)F	REAL300018695802	1	44	-1.0	-52.86	387.41	5.65	-47.21
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COC1=CC=C(CNC(C(=O)[O-])C2=CC=CC(O)=C2)C=C1Cl	REAL300018695810	1	37	-1.0	-52.00	333.02	4.87	-47.13
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COC1=NC=C(Br)C=C1CNC(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695814	0	36	-1.0	-47.03	333.14	2.35	-44.68
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CC1=C2C=C(CNC(C(=O)[O-])C3=CC=CC(O)=C3)C=NC2=NN1	REAL300018695830	1	38	-1.0	-60.66	330.53	3.55	-57.11
CN(C)C1=NC=C(CNC(C(=O)[O-])C2=CC=CC(O)=C2)S1	REAL300018695832	0	37	-1.0	-49.25	327.67	3.87	-45.38
CC1=CC=C(C2=NC(CNC(C(=O)[O-])C3=CC=CC(O)=C3)=CS2)C=C1	REAL300018695834	0	42	-1.0	-49.29	372.29	6.42	-42.87
CC(C)C1=NC(CNC(C(=O)[O-])C2=CC=CC(O)=C2)=CS1	REAL300018695835	0	38	-1.0	-57.19	333.91	4.08	-53.11
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COC1=CC(C(=O)[O-])=CC=C1CNCC1=CN=C(C2=CC=CC=C2)S1	REAL300018708991	1	42	-1.0	-52.69	371.37	7.82	-44.87
COC1=CC(CNCC2=CC=C(C(=O)[O-])C=C2OC)=C2OC(C)CC2=C1	REAL300018708995	0	48	-1.0	-52.37	392.91	6.64	-45.73
COC1=CC(C(=O)[O-])=CC=C1CNCC1=NN(C)C2=CC=CC=C21	REAL300018708996	0	42	-1.0	-54.64	356.28	6.72	-47.92
COC1=CC(C(=O)[O-])=CC=C1CNCC1=NNC2=CC=CC=C21	REAL300018708997	1	39	-1.0	-53.28	333.58	5.41	-47.87
COC1=CC(C(=O)[O-])=CC=C1CNCC1=C2C=CC=CC2=NN1	REAL300018708997	1	39	-1.0	-54.65	333.23	5.42	-49.23
COC1=CC(C(=O)[O-])=CC=C1CNCC1=CC=C(N(C)C)C(F)=C1	REAL300018708998	1	44	-1.0	-51.57	367.56	6.33	-45.24
COC1=CC(C(=O)[O-])=CC=C1CNCC1=NC=CN1CC(F)(F)F	REAL300018708999	0	39	-1.0	-53.94	343.63	6.34	-47.60
COC(=O)C(C)OC1=CC=CC=C1CN(CCC#N)CC(=O)[O-]	REAL300019186846	0	42	-1.0	-56.81	349.40	8.13	-48.68
COC(=O)COC1=CC=CC=C1CN(CCC#N)CC(=O)[O-]	REAL300019186847	0	39	-1.0	-56.60	330.86	7.36	-49.24
CC1=CC=CC(CN(CCC#N)CC(=O)[O-])=C1Br	REAL300019186848	0	32	-1.0	-43.71	281.79	6.78	-36.93
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CC(=O)NC1=CC(Br)=CC=C1CN(CCC#N)CC(=O)[O-]	REAL300019186852	0	36	-1.0	-45.76	319.68	5.55	-40.21
N#CCCN(CC(=O)[O-])CC1=CC=CC=C1N1CCCCC1	REAL300019186853	0	44	-1.0	-45.05	341.16	7.59	-37.46
N#CCCN(CC(=O)[O-])CC1=C(C2=CC=C(F)C=C2)N=C2C=CC(F)=CN21	REAL300019186854	0	42	-1.0	-42.77	356.31	9.39	-33.38
CN(C)C1=NC(C(F)(F)F)=CC=C1CN(CCC#N)CC(=O)[O-]	REAL300019186855	0	39	-1.0	-42.47	339.71	6.64	-35.83
N#CCCN(CC(=O)[O-])CC1=CC(Cl)=CC(Br)=C1	REAL300019186856	0	29	-1.0	-42.15	281.81	6.81	-35.34
CC(C)(C)OC(=O)N1CCN(C2=CC=C(CN(CCC#N)CC(=O)[O-])O2)CC1	REAL300019186857	0	55	-1.0	-52.87	427.36	5.80	-47.07
CC(C)(C)OC(=O)NCC1=CC=C(CN(CCC#N)CC(=O)[O-])C=C1	REAL300019186858	0	49	-1.0	-50.51	398.25	6.75	-43.76
CC1=CC=C(C2=CC=CC=C2CN(CCC#N)CC(=O)[O-])C(C)=C1	REAL300019186859	1	45	-1.0	-47.14	362.59	11.68	-35.46
N#CCCN(CC(=O)[O-])CC1=CN=C(CC(F)(F)F)S1	REAL300019186860	0	31	-1.0	-44.04	291.25	4.83	-39.21
CC1=CN2C(=NC(C3=CC=C(F)C=C3)=C2CN(CCC#N)CC(=O)[O-])C=C1	REAL300019186861	0	45	-1.0	-46.13	371.10	9.98	-36.15
CC(C)(C)OC(=O)C1CCN(C2=CC=C(CN(CCC#N)CC(=O)[O-])O2)CC1	REAL300019186862	0	56	-1.0	-49.99	434.19	7.74	-42.25
N#CCCN(CC(=O)[O-])CC1=NC=C(Br)C=C1O	REAL300019186863	1	29	-1.0	-50.02	274.21	2.39	-47.63
COC1=CC=CC(C2=CSC(CN(CCC#N)CC(=O)[O-])=N2)=C1	REAL300019186864	0	39	-1.0	-44.18	336.40	5.77	-38.41
COC(=O)C1=CC2=C(C=C(CN(CCC#N)CC(=O)[O-])O2)N1	REAL300019186866	0	36	-1.0	-50.60	314.14	4.61	-45.99
CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCC#N)CC(=O)[O-]	REAL300019186867	0	46	-1.0	-57.16	355.07	6.35	-50.81
N#CCCN(CC(=O)[O-])CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300019186868	0	38	-1.0	-51.04	335.47	5.49	-45.55
N#CCCN(CC(=O)[O-])CC1=CSC(C2=CC=CS2)=N1	REAL300019186869	0	32	-1.0	-50.33	307.80	6.18	-44.15
N#CCCN(CC(=O)[O-])CC1=CC=CC=C1N1CCOCC1	REAL300019186870	0	42	-1.0	-42.28	326.58	5.90	-36.38
CS(=O)(=O)NC1=CC=CC(CN(CCC#N)CC(=O)[O-])=C1	REAL300019186871	0	37	-1.0	-54.37	323.57	2.96	-51.41
N#CCCN(CC(=O)[O-])CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300019186873	0	33	-1.0	-50.63	305.64	6.42	-44.21
COC1=CC=C(CN(CCC#N)CC(=O)[O-])C(Cl)=C1OC	REAL300019186874	0	37	-1.0	-42.87	321.50	5.46	-37.41
CC1=CC=CC=C1C1=CC=CC(CN(CCC#N)CC(=O)[O-])=C1	REAL300019186875	0	42	-1.0	-50.62	346.41	10.37	-40.25
N#CCCN(CC(=O)[O-])CC1=C(Cl)N=C2C=CSC2=C1	REAL300019186876	0	31	-1.0	-43.24	292.02	5.73	-37.51
CC1(C)CCC2=CC(CN(CCC#N)CC(=O)[O-])=CC=C2O1	REAL300019186877	0	43	-1.0	-46.58	334.38	7.51	-39.07
N#CCCN(CC(=O)[O-])CC1=CC(C(F)(F)F)=CC=C1F	REAL300019186878	0	32	-1.0	-45.59	284.20	6.69	-38.90
CC1=CC(CN(CCC#N)CC(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300019186879	0	42	-1.0	-51.40	351.92	7.88	-43.52
N#CCCN(CC(=O)[O-])CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1	REAL300019186880	0	44	-1.0	-52.28	379.09	9.99	-42.29
CC(C)(C)N1C=C(CN(CCC#N)CC(=O)[O-])C(C2=CC=CC=C2Cl)=N1	REAL300019186881	0	48	-1.0	-56.94	406.91	10.09	-46.85
CC(C)N1C2=CC=CC=C2N=C1CN(CCC#N)CC(=O)[O-]	REAL300019186882	0	41	-1.0	-42.69	320.10	7.04	-35.65
CC(=O)N(C1=NC(CN(CCC#N)CC(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300019186883	0	42	-1.0	-64.07	369.11	8.24	-55.83
N#CCCN(CC(=O)[O-])CC1=CSC(COC2=CC=CC=C2)=N1	REAL300019186885	0	39	-1.0	-53.58	341.15	6.25	-47.33
N#CCCN(CC(=O)[O-])CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300019186886	0	38	-1.0	-50.35	348.25	7.73	-42.62
N#CCCN(CC(=O)[O-])CC1=CSC(COC2=CC=C(Cl)C=C2)=N1	REAL300019186887	0	39	-1.0	-51.73	357.89	6.77	-44.96
CC1=CC=C(OCC2=NC(CN(CCC#N)CC(=O)[O-])=CS2)C=C1	REAL300019186888	0	42	-1.0	-54.08	362.42	7.00	-47.08
COC1=CC=C(OCC2=NC(CN(CCC#N)CC(=O)[O-])=CS2)C=C1	REAL300019186889	0	43	-1.0	-54.43	370.55	5.60	-48.83
CS(=O)(=O)C1=C(CN(CCC#N)CC(=O)[O-])C=CS1	REAL300019186890	0	32	-1.0	-44.52	283.54	4.60	-39.92
COC(=O)C1=CC2=C(N1)SC(CN(CCC#N)CC(=O)[O-])=C2	REAL300019186891	1	36	-1.0	-46.46	323.15	5.50	-40.96
N#CCCN(CC(=O)[O-])CC1=CC=C(F)C(Br)=C1F	REAL300019186892	0	29	-1.0	-49.02	271.76	6.34	-42.68
N#CCCN(CC(=O)[O-])CC1=CC=C(S(N)(=O)=O)C=C1Br	REAL300019186893	0	34	-1.0	-46.26	317.97	1.49	-44.77
CC(C)(C)OC(=O)C1CCCN(C2=CC=C(CN(CCC#N)CC(=O)[O-])O2)C1	REAL300019186894	0	56	-1.0	-58.32	434.23	7.71	-50.61
CC(C)(C)OC(=O)C1=NN(C2CCOCC2)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019186895	0	55	-1.0	-45.93	428.99	6.98	-38.95
CCOC(=O)C1=NN(C2CCOCC2)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019186896	0	49	-1.0	-45.76	396.01	5.86	-39.90
COC1=CC=C2SC(CN(CCC#N)CC(=O)[O-])=CC2=C1	REAL300019186897	0	36	-1.0	-51.21	317.47	7.18	-44.03
CNS(=O)(=O)C1=CC(CN(CCC#N)CC(=O)[O-])=CC=C1F	REAL300019186898	0	37	-1.0	-50.70	324.70	2.25	-48.45
CC1=NN(C2=CC=C(CN(CCC#N)CC(=O)[O-])C=C2)C=C1Cl	REAL300019186899	0	39	-1.0	-44.48	340.69	7.97	-36.51
CCN(CC)C(=O)C1=CC=C(CN(CCC#N)CC(=O)[O-])C=C1	REAL300019186900	0	45	-1.0	-55.80	361.54	7.97	-47.83
CCN(C)C(=O)C1=CC=C(CN(CCC#N)CC(=O)[O-])C=C1	REAL300019186901	0	42	-1.0	-51.08	342.70	7.10	-43.98
CC1=NN(C2=CC=C(CN(CCC#N)CC(=O)[O-])C(C)=C2)C=C1	REAL300019186902	0	42	-1.0	-47.24	343.31	8.48	-38.76
N#CCCN(CC(=O)[O-])CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300019186903	0	35	-1.0	-46.98	321.56	8.17	-38.81
CC1=CC(N2C=C(Cl)C=N2)=CC=C1CN(CCC#N)CC(=O)[O-]	REAL300019186904	0	39	-1.0	-43.83	338.12	9.35	-34.48
N#CCCN(CC(=O)[O-])CC1=CC=CC=C1C1=CC=CC=C1Cl	REAL300019186905	1	39	-1.0	-46.90	338.13	10.92	-35.98
N#CCCN(CC(=O)[O-])CC1=CC=CC=C1OC1=CC=CC(F)=C1	REAL300019186906	0	40	-1.0	-48.72	343.45	9.69	-39.03
COC1=CC=C(C)C(CN(CCC#N)CC(=O)[O-])=C1Br	REAL300019186907	0	36	-1.0	-42.80	306.02	6.39	-36.41
CCC1=CC(Br)=C(CN(CCC#N)CC(=O)[O-])S1	REAL300019186908	0	32	-1.0	-42.99	296.95	6.95	-36.04
COC(=O)C1=C2COCCN2C(CN(CCC#N)CC(=O)[O-])=C1	REAL300019186909	0	41	-1.0	-52.41	345.69	5.67	-46.74
N#CCCN(CC(=O)[O-])CC1=C(Cl)C=CC=C1Br	REAL300019186910	0	29	-1.0	-44.20	266.97	6.33	-37.87
CC1=CC(Br)=CN=C1CN(CCC#N)CC(=O)[O-]	REAL300019186911	0	31	-1.0	-48.90	285.43	5.83	-43.07
N#CCCN(CC(=O)[O-])CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300019186912	0	46	-1.0	-52.26	356.99	7.54	-44.72
N#CCCN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl	REAL300019186913	0	32	-1.0	-37.89	310.96	7.67	-30.22
N#CCCN(CC(=O)[O-])CC1=CNN=C1C1=CC=C(Cl)O1	REAL300019186914	0	33	-1.0	-49.19	309.54	5.50	-43.69
N#CCCN(CC(=O)[O-])CC1=CC=C(OC(F)(F)F)C=C1F	REAL300019186915	0	33	-1.0	-40.05	296.74	5.53	-34.52
N#CCCN(CC(=O)[O-])CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300019186916	0	35	-1.0	-48.75	321.54	8.17	-40.58
CC1=NC=CN1C1=CC=C(CN(CCC#N)CC(=O)[O-])C(C)=C1	REAL300019186917	0	42	-1.0	-43.00	342.82	9.17	-33.83
CC1=C(C)N(C2=CC=C(CN(CCC#N)CC(=O)[O-])C=C2)C=N1	REAL300019186918	0	42	-1.0	-46.61	341.52	9.29	-37.32
CN1C=C(CN(CCC#N)CC(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300019186919	0	39	-1.0	-51.71	335.36	7.81	-43.90
COC(=O)C1=CC=C(COC2=CC=C(CN(CCC#N)CC(=O)[O-])C=C2)O1	REAL300019186920	0	46	-1.0	-54.30	399.24	8.50	-45.80
CC1=C(Br)C(CN(CCC#N)CC(=O)[O-])=C(C)S1	REAL300019186921	0	32	-1.0	-43.80	283.86	6.38	-37.42
C=CCC1=CC(CN(CCC#N)CC(=O)[O-])=CC(OC)=C1O	REAL300019186922	0	41	-1.0	-46.00	338.66	4.83	-41.17
CCC(C)CN(C)C1=CC=C(F)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019186923	0	49	-1.0	-45.64	370.71	9.25	-36.39
COC1=CC=C(OC(F)F)C(CN(CCC#N)CC(=O)[O-])=C1	REAL300019186924	0	37	-1.0	-49.38	312.87	4.61	-44.77
CC1=CC=C(C)C(OC2=CC=CC(Cl)=C2CN(CCC#N)CC(=O)[O-])=C1C	REAL300019186925	0	49	-1.0	-47.16	393.62	10.67	-36.49
CC1=CC=CC(COC2=C(C)C=C(CN(CCC#N)CC(=O)[O-])C=C2C)=C1	REAL300019186926	0	52	-1.0	-51.21	427.09	11.89	-39.32
CC1=CC(CN(CCC#N)CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300019186927	0	49	-1.0	-50.07	418.84	11.81	-38.26
CC1=CC=CC=C1COC1=C(C)C=C(CN(CCC#N)CC(=O)[O-])C=C1C	REAL300019186928	0	52	-1.0	-51.02	421.86	11.91	-39.11
N#CCCN(CC(=O)[O-])CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300019186929	0	37	-1.0	-47.85	337.76	7.40	-40.45
N#CCCN(CC(=O)[O-])CC1=CC=CC=C1OCC(=O)NCC1CC1	REAL300019186930	0	47	-1.0	-61.69	388.01	7.90	-53.79
N#CCCN(CC(=O)[O-])CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300019186931	0	36	-1.0	-48.74	319.76	7.81	-40.93
N#CCCN(CC(=O)[O-])CC1=C(Cl)C=CC=C1OC(F)F	REAL300019186932	0	33	-1.0	-42.28	291.05	5.96	-36.32
CC(=O)N(C1=NC(CN(CCC#N)CC(=O)[O-])=CS1)C1CC1	REAL300019186933	0	39	-1.0	-69.94	329.88	6.14	-63.80
CC1=CC(F)=CC=C1C1=CC=C(CN(CCC#N)CC(=O)[O-])O1	REAL300019186934	0	39	-1.0	-47.39	332.74	8.46	-38.93
CCN(C1=CC=CC=C1)C1=CC=C(CN(CCC#N)CC(=O)[O-])C=C1	REAL300019186936	0	47	-1.0	-48.07	383.31	10.99	-37.08
COC1=CC=C(CN(CCC#N)CC(=O)[O-])C(OC(F)F)=C1	REAL300019186937	0	37	-1.0	-46.07	317.63	5.55	-40.52
N#CCCN(CC(=O)[O-])CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300019186938	0	49	-1.0	-51.82	404.61	11.12	-40.70
CCN(CC)C1=CC=C(CN(CCC#N)CC(=O)[O-])C=C1F	REAL300019186939	0	43	-1.0	-50.18	349.62	7.35	-42.83
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1CN(CCC#N)CC(=O)[O-]	REAL300019186940	0	45	-1.0	-42.93	379.84	8.93	-34.00
N#CCCN(CC(=O)[O-])CC1=CN=C2C=CC(Br)=CN12	REAL300019186941	0	32	-1.0	-43.08	284.91	6.53	-36.55
COC1=CC(CN(CCC#N)CC(=O)[O-])=C(SC)C=C1OC	REAL300019186942	0	41	-1.0	-47.39	341.48	5.83	-41.56
CCCCCN(C)C1=CC=C(F)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019186943	0	49	-1.0	-45.98	388.13	8.67	-37.31
N#CCCN(CC(=O)[O-])CC1=CC(Cl)=CC=C1Br	REAL300019186944	0	29	-1.0	-42.87	280.35	6.73	-36.14
N#CCCN(CC(=O)[O-])CC1=CC(Cl)=CC=C1OCC1CCCO1	REAL300019186945	0	44	-1.0	-50.53	374.01	8.00	-42.53
N#CCCN(CC(=O)[O-])CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300019186946	0	38	-1.0	-51.15	331.46	4.73	-46.42
CC(C)(C)C1=CC=C(C2=CC=C(CN(CCC#N)CC(=O)[O-])O2)C=C1	REAL300019186947	0	48	-1.0	-50.21	387.38	10.57	-39.64
CCOC1=CC(Br)=CC(F)=C1CN(CCC#N)CC(=O)[O-]	REAL300019186948	0	36	-1.0	-47.58	316.21	6.50	-41.08
N#CCCN(CC(=O)[O-])CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300019186949	0	36	-1.0	-43.54	312.94	5.07	-38.47
CCC1=CC=C(C2=CC=C(CN(CCC#N)CC(=O)[O-])O2)C=C1	REAL300019186950	0	42	-1.0	-50.53	354.15	9.68	-40.85
COC1=CC=CC=C1C1=CC=C(CN(CCC#N)CC(=O)[O-])C=C1	REAL300019186951	0	43	-1.0	-49.81	351.85	8.78	-41.03
CC1=CC(CN(CCC#N)CC(=O)[O-])=C(OC(F)F)C=C1C	REAL300019186952	0	39	-1.0	-47.05	322.42	6.55	-40.50
CC1=CC(C2=CC=C(CN(CCC#N)CC(=O)[O-])C=C2)=CC(C)=C1	REAL300019186953	0	45	-1.0	-47.31	360.83	10.42	-36.89
N#CCCN(CC(=O)[O-])CC1=CC=C(Br)C=C1Cl	REAL300019186954	0	29	-1.0	-41.71	281.23	7.15	-34.56
CC1=NN(C2=CC=C(Cl)C=C2)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019186955	0	39	-1.0	-43.48	341.45	7.98	-35.50
N#CCCN(CC(=O)[O-])CC1=CN=C(C2=CSC=C2)S1	REAL300019186956	0	32	-1.0	-44.98	300.16	5.70	-39.28
N#CCCN(CC(=O)[O-])CC1=CN=C(C2=CC=CN=C2)S1	REAL300019186957	0	34	-1.0	-47.00	304.06	4.99	-42.01
N#CCCN(CC(=O)[O-])CC1=CN=C(C2CCCCC2)S1	REAL300019186958	0	41	-1.0	-44.70	335.52	6.92	-37.78
CC1=CC(CN(CCC#N)CC(=O)[O-])=CC=C1Br	REAL300019186959	0	32	-1.0	-46.89	289.86	7.49	-39.40
N#CCCN(CC(=O)[O-])CC1=CN=C(C2=CC=CS2)S1	REAL300019186960	0	32	-1.0	-45.10	301.81	5.79	-39.31
COC(=O)C1=CC2=C(CN(CCC#N)CC(=O)[O-])C=CC(OC)=C2O1	REAL300019186961	0	42	-1.0	-52.41	360.20	6.59	-45.82
N#CCCN(CC(=O)[O-])CC1=CC=C(Cl)C2=CC=CN=C12	REAL300019186962	0	34	-1.0	-47.64	304.00	7.50	-40.14
CN1C2=CC=C(C(F)(F)F)C=C2N=C1CN(CCC#N)CC(=O)[O-]	REAL300019186963	0	38	-1.0	-53.41	330.77	7.13	-46.28
COC1=CC(Br)=C(CN(CCC#N)CC(=O)[O-])C(OC)=C1	REAL300019186964	0	37	-1.0	-44.97	314.47	4.75	-40.22
COC1=CC=C(C2=CC=CC=C2)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019186965	0	43	-1.0	-51.13	347.66	8.46	-42.67
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019186966	0	48	-1.0	-48.10	382.25	10.06	-38.04
N#CCCN(CC(=O)[O-])CC1=CC=C(F)C=C1Br	REAL300019186967	0	29	-1.0	-40.91	268.80	6.71	-34.20
N#CCCN(CC(=O)[O-])CC1=CC(Br)=CC=C1Cl	REAL300019186968	0	29	-1.0	-42.85	280.87	6.75	-36.10
CC(C)(C)OC(=O)NC1=CC=C(CN(CCC#N)CC(=O)[O-])C=N1	REAL300019186970	0	45	-1.0	-57.17	360.84	5.45	-51.72
CC1=CC(Br)=CC=C1CN(CCC#N)CC(=O)[O-]	REAL300019186971	0	32	-1.0	-39.47	283.18	7.90	-31.57
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2CN(CCC#N)CC(=O)[O-])=C1	REAL300019186972	0	52	-1.0	-49.73	420.06	9.20	-40.53
CC1=CC=C(N2C=C(CN(CCC#N)CC(=O)[O-])C(C(C)(C)C)=N2)C=C1	REAL300019186973	0	51	-1.0	-48.17	402.06	10.63	-37.54
N#CCCN(CC(=O)[O-])CC1=CC=C(OCCN2CCOCC2)C(Cl)=C1	REAL300019186974	0	49	-1.0	-50.18	406.37	5.72	-44.46
CC(C)(C)OC(=O)N1CCC(CN(CCC#N)CC(=O)[O-])CC1	REAL300019186975	1	49	-1.0	-44.86	372.23	7.66	-37.20
CN1CCN(C2=NC=C(CN(CCC#N)CC(=O)[O-])C=N2)CC1	REAL300019186976	0	44	-1.0	-45.37	347.26	3.92	-41.45
N#CCCN(CC(=O)[O-])CC1=CNN=C1C1=C(F)C=CC=C1F	REAL300019186977	0	36	-1.0	-52.41	318.29	6.65	-45.76
N#CCCN(CC(=O)[O-])CC1=CC=C(Br)C(Br)=C1	REAL300019186978	0	29	-1.0	-47.80	290.61	7.47	-40.33
CC(C)(C)OC(=O)N1CCC2=CC=CC(CN(CCC#N)CC(=O)[O-])=C21	REAL300019186980	0	50	-1.0	-52.59	374.74	9.00	-43.59
N#CCCN(CC(=O)[O-])CC1=CC=C(Cl)C=C1Br	REAL300019186981	0	29	-1.0	-40.71	279.14	7.15	-33.56
N#CCCN(CC(=O)[O-])CC1=CC=C(OCCN2C=CN=C2)C(Cl)=C1	REAL300019186982	0	43	-1.0	-52.85	379.62	9.69	-43.16
N#CCCN(CC(=O)[O-])CC1=CC(Cl)=CC2=CC=CN=C21	REAL300019186983	0	34	-1.0	-50.47	308.48	7.37	-43.10
N#CCCN(CC(=O)[O-])CC1=CNN=C1C1=CC=CC=C1F	REAL300019186984	0	36	-1.0	-45.63	309.17	5.67	-39.96
N#CCCN(CC(=O)[O-])CC1=CNN=C1C1=CC=CC(Cl)=C1	REAL300019186985	0	36	-1.0	-42.00	315.81	7.65	-34.35
N#CCCN(CC(=O)[O-])CC1=CC=C(Br)C(F)=C1	REAL300019186986	0	29	-1.0	-48.53	277.36	6.96	-41.57
CSC1=CC(Br)=CC=C1CN(CCC#N)CC(=O)[O-]	REAL300019186987	0	33	-1.0	-41.43	303.87	7.67	-33.76
CC1=C(Br)SC(CN(CCC#N)CC(=O)[O-])=C1	REAL300019186988	0	29	-1.0	-48.06	282.14	6.79	-41.27
CC1=CC=C(C2=NC=C(CN(CCC#N)CC(=O)[O-])S2)O1	REAL300019186989	0	35	-1.0	-45.73	314.67	5.63	-40.10
N#CCCN(CC(=O)[O-])CC1=CC(F)=CC=C1Br	REAL300019186990	0	29	-1.0	-43.82	270.03	6.27	-37.55
COC1=CC=C(Br)C(CN(CCC#N)CC(=O)[O-])=C1	REAL300019186991	0	33	-1.0	-47.25	293.40	5.57	-41.68
N#CCCN(CC(=O)[O-])CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300019186992	0	35	-1.0	-41.50	322.45	7.71	-33.79
N#CCCN(CC(=O)[O-])CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300019186993	0	32	-1.0	-41.34	303.87	7.29	-34.05
N#CCCN(CC(=O)[O-])CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300019186994	0	43	-1.0	-51.14	368.04	9.65	-41.49
N#CCCN(CC(=O)[O-])CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300019186995	0	40	-1.0	-48.30	350.58	10.37	-37.93
CN1C2=CC=C(Cl)C=C2N=C1CN(CCC#N)CC(=O)[O-]	REAL300019186996	0	35	-1.0	-53.48	308.59	6.65	-46.83
COC1=CC(Cl)=C(CN(CCC#N)CC(=O)[O-])C=C1Cl	REAL300019186997	0	33	-1.0	-43.84	305.03	5.99	-37.85
N#CCCN(CC(=O)[O-])CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300019186998	0	38	-1.0	-44.04	320.14	7.40	-36.64
CC1=NN(C2=CC=C(Br)C=C2)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019186999	0	39	-1.0	-43.44	346.01	8.08	-35.36
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019187000	0	51	-1.0	-47.69	407.01	10.44	-37.25
N#CCCN(CC(=O)[O-])CC1=NC=CC2=CC(Cl)=CC=C21	REAL300019187125	0	34	-1.0	-43.65	293.06	6.30	-37.35
N#CCCN(CC(=O)[O-])CC1=CC=C(Br)C=C1OC1CC1	REAL300019187126	0	37	-1.0	-45.63	329.41	8.44	-37.19
CN(C)C1=CC=C([N+](=O)[O-])C=C1CN(CCC#N)CC(=O)[O-]	REAL300019187127	0	39	-1.0	-51.42	326.83	6.22	-45.20
N#CCCN(CC(=O)[O-])CC1=CC=CC(Cl)=C1C(F)(F)F	REAL300019187128	0	32	-1.0	-40.76	288.13	8.20	-32.56
N#CCCN(CC(=O)[O-])CC1=C(F)C=CC(Br)=C1Cl	REAL300019187129	0	29	-1.0	-45.03	281.53	6.67	-38.36
N#CCCN(CC(=O)[O-])CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300019187130	0	36	-1.0	-46.48	309.63	6.93	-39.55
COC1=NC(C)=C(CN(CCC#N)CC(=O)[O-])C(C)=C1Cl	REAL300019187131	0	38	-1.0	-49.46	320.12	4.22	-45.24
CC(C)N(C)C1=CC=C(CN(CCC#N)CC(=O)[O-])C(O)=C1	REAL300019187132	1	44	-1.0	-45.67	347.82	5.90	-39.77
CC1=NN(C2CCCCC2)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019187133	0	45	-1.0	-44.57	354.75	7.83	-36.74
CC1=NN(C2CCOCC2)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019187134	0	43	-1.0	-45.51	342.26	4.90	-40.61
N#CCCN(CC(=O)[O-])CC1=CC(Br)=CC2=CC=CN=C21	REAL300019187135	0	34	-1.0	-50.51	313.04	7.47	-43.04
N#CCCN(CC(=O)[O-])CC1=CC(S(N)(=O)=O)=CS1	REAL300019187136	0	31	-1.0	-52.38	290.73	-0.26	-52.64
N#CCCN(CC(=O)[O-])CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019187137	0	44	-1.0	-45.50	347.75	5.10	-40.40
CC1=CC(Br)=C(F)C(CN(CCC#N)CC(=O)[O-])=C1	REAL300019187138	0	32	-1.0	-41.44	293.43	7.04	-34.40
N#CCCN(CC(=O)[O-])CC1=CC=C(Br)C(Cl)=C1F	REAL300019187139	0	29	-1.0	-48.57	281.03	6.77	-41.80
COC1=CC=CC(CN(CCC#N)CC(=O)[O-])=C1Br	REAL300019187140	0	33	-1.0	-44.14	292.22	5.55	-38.59
COC1=CC(F)=C(CN(CCC#N)CC(=O)[O-])C=C1Br	REAL300019187141	0	33	-1.0	-43.73	300.61	5.71	-38.02
N#CCCN(CC(=O)[O-])CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1	REAL300019187142	0	39	-1.0	-44.15	329.63	8.06	-36.09
CC1=CC=C(Br)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019187143	0	32	-1.0	-46.22	283.71	6.85	-39.37
COC1=NC2=CC=C(CN(CCC#N)CC(=O)[O-])C=C2S1	REAL300019187144	0	35	-1.0	-46.05	308.91	3.53	-42.52
N#CCCN(CC(=O)[O-])CC1=CC(F)=CC(Cl)=C1Cl	REAL300019187145	0	29	-1.0	-40.16	281.90	6.73	-33.43
CC(C)(C)COC1=CC=CC(CN(CCC#N)CC(=O)[O-])=C1	REAL300019187146	0	45	-1.0	-50.34	362.14	8.63	-41.71
N#CCCN(CC(=O)[O-])CC1=CC(Br)=CC(Cl)=C1F	REAL300019187147	0	29	-1.0	-45.86	281.72	6.75	-39.11
N#CCCN(CC(=O)[O-])CC1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300019187148	0	32	-1.0	-37.73	298.44	7.02	-30.71
COC1=CC=C2SC(CN(CCC#N)CC(=O)[O-])=NC2=C1	REAL300019187149	0	35	-1.0	-45.32	304.92	4.43	-40.89
N#CCCN(CC(=O)[O-])CC1=CN=C2C=C(Br)C=CN12	REAL300019187150	0	32	-1.0	-47.25	292.61	6.60	-40.65
CC1=C(CN(CCC#N)CC(=O)[O-])N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300019187151	0	41	-1.0	-51.45	359.39	6.14	-45.31
CC(C)(C)OC(=O)N1CCC2=CC(CN(CCC#N)CC(=O)[O-])=CC=C2C1	REAL300019187152	0	53	-1.0	-48.12	409.67	8.88	-39.24
CC1=CC(Br)=CC(C)=C1CN(CCC#N)CC(=O)[O-]	REAL300019187153	0	35	-1.0	-39.91	296.98	7.94	-31.97
N#CCCN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1O	REAL300019187154	0	33	-1.0	-42.14	297.56	5.02	-37.12
N#CCCN(CC(=O)[O-])CC1=CC=C(C2CCCCC2)C=C1	REAL300019187155	0	45	-1.0	-47.48	352.20	10.10	-37.38
CC1=C(CN(CCC#N)CC(=O)[O-])SC(Br)=C1	REAL300019187156	0	29	-1.0	-44.40	274.98	6.14	-38.26
CC(C)N1C2=CC=C(Cl)C=C2N=C1CN(CCC#N)CC(=O)[O-]	REAL300019187157	0	41	-1.0	-52.73	343.56	7.85	-44.88
N#CCCN(CC(=O)[O-])CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300019187158	0	42	-1.0	-48.53	353.15	10.75	-37.78
N#CCCN(CC(=O)[O-])CC1=CC(Cl)=CC(Cl)=C1Br	REAL300019187159	0	29	-1.0	-39.66	295.83	7.28	-32.38
CCCCC(=O)NC1=CC=C(CN(CCC#N)CC(=O)[O-])C=C1	REAL300019187160	0	45	-1.0	-58.21	368.59	7.46	-50.75
COC(=O)C1=CC=CC(CN(CCC#N)CC(=O)[O-])=C1Br	REAL300019187161	0	35	-1.0	-43.46	313.35	6.72	-36.74
N#CCCN(CC(=O)[O-])CC1=CSC(Br)=C1Br	REAL300019187162	0	26	-1.0	-39.22	275.22	5.92	-33.30
N#CCCN(CC(=O)[O-])CC1=CC=CC(Br)=C1Br	REAL300019187163	0	29	-1.0	-40.77	282.54	6.75	-34.02
COC(=O)[C@H]1C[C@H](N2C=CC(CN(CCC#N)CC(=O)[O-])=N2)C1	REAL300019187164	0	42	-1.0	-57.49	352.93	6.78	-50.71
COC(=O)[C@H]1C[C@H](N2N=CC=C2CN(CCC#N)CC(=O)[O-])C1	REAL300019187165	0	42	-1.0	-45.23	346.53	6.21	-39.02
CC1=C(CN(CCC#N)CC(=O)[O-])SC(Br)=C1Br	REAL300019187166	0	29	-1.0	-39.30	285.75	6.39	-32.91
N#CCCN(CC(=O)[O-])CC1=CC(Cl)=CN=C1Br	REAL300019187167	0	28	-1.0	-39.91	276.33	5.10	-34.81
N#CCCN(CC(=O)[O-])CC1=CC(Cl)=C(Br)C=C1O	REAL300019187168	0	30	-1.0	-43.64	291.21	3.98	-39.66
CC(C)(C)C1=NN(C(C)(C)C)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019187169	0	50	-1.0	-47.21	384.74	8.51	-38.70
N#CCCN(CC(=O)[O-])CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300019187170	0	33	-1.0	-47.67	312.37	6.65	-41.02
N#CCCN(CC(=O)[O-])CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300019187171	0	39	-1.0	-48.04	332.34	8.53	-39.51
CC(C)(C)[Si](C)(C)OC1=CC=CC(CN(CCC#N)CC(=O)[O-])=C1	REAL300019187172	0	51	-1.0	-50.81	409.29	11.21	-39.60
COC(=O)C1=CC(CN(CCC#N)CC(=O)[O-])=CC(C(F)(F)F)=C1	REAL300019187173	0	38	-1.0	-49.21	337.28	7.32	-41.89
COC1=CC(C)=C2C=C(CN(CCC#N)CC(=O)[O-])NC2=C1	REAL300019187174	0	40	-1.0	-45.91	327.23	5.56	-40.35
CC1=CC=CC(CN(CCC#N)CC(=O)[O-])=C1C(F)(F)F	REAL300019187175	0	35	-1.0	-44.04	291.50	8.38	-35.66
N#CCCN(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1Br	REAL300019187176	0	32	-1.0	-39.35	302.37	7.20	-32.15
N#CCCN(CC(=O)[O-])CC1=CC2=NC=C(Br)C=C2O1	REAL300019187177	0	31	-1.0	-50.28	294.90	5.65	-44.63
N#CCCN(CC(=O)[O-])CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300019187178	0	34	-1.0	-43.75	310.19	6.08	-37.67
N#CCCN(CC(=O)[O-])CC1=CC2=C(CCOC2)N=C1Cl	REAL300019187179	0	36	-1.0	-42.22	309.73	4.46	-37.76
COC1=CC(OC)=C2C=C(CN(CCC#N)CC(=O)[O-])NC2=C1	REAL300019187180	0	41	-1.0	-46.09	335.29	4.49	-41.60
N#CCCN(CC(=O)[O-])CC1=CC2=CC(Br)=CC=C2S1	REAL300019187181	0	32	-1.0	-48.58	309.19	8.50	-40.08
CN1C(CC2=CC=CC=C2)=CN=C1CN(CCC#N)CC(=O)[O-]	REAL300019187182	0	42	-1.0	-42.30	339.78	8.10	-34.20
N#CCCN(CC(=O)[O-])CC1=CC=C(Br)C=C1Br	REAL300019187183	0	29	-1.0	-40.62	283.71	7.25	-33.37
N#CCCN(CC(=O)[O-])CC1=CC(Br)=CC(F)=C1F	REAL300019187184	0	29	-1.0	-47.26	271.83	6.31	-40.95
N#CCCN(CC(=O)[O-])CC1=CC(Cl)=C(Br)C=C1F	REAL300019187185	0	29	-1.0	-39.98	286.82	6.82	-33.16
N#CCCN(CC(=O)[O-])CC1=CC(Br)=CC([N+](=O)[O-])=C1	REAL300019187186	0	31	-1.0	-47.04	293.72	6.94	-40.10
COC1=C(CN(CCC#N)CC(=O)[O-])C=CC(Br)=C1F	REAL300019187187	0	33	-1.0	-40.00	301.83	5.76	-34.24
N#CCCN(CC(=O)[O-])CC1=CC=CC(C(F)(F)F)=C1F	REAL300019187188	0	32	-1.0	-40.78	288.61	6.73	-34.05
CC(C)C1=NN(C(C)(C)C)C=C1CN(CCC#N)CC(=O)[O-]	REAL300019187189	0	47	-1.0	-44.69	370.68	7.35	-37.34
N#CCCN(CC(=O)[O-])CC1=CC2=CC=CC=C2C(Br)=C1	REAL300019187190	0	35	-1.0	-48.58	314.86	9.08	-39.50
N#CCCN(CC(=O)[O-])CC1=CC=C(N2CCC(O)C2)C=C1	REAL300019187191	0	42	-1.0	-49.07	331.37	2.70	-46.37
N#CCCN(CC(=O)[O-])CC1=CC=C(CN2C=C(Br)C=N2)C=C1	REAL300019187192	0	39	-1.0	-50.41	355.83	8.56	-41.85
N#CCCN(CC(=O)[O-])CC1=C(F)C=C(I)C=C1F	REAL300019187193	0	29	-1.0	-44.36	280.02	6.77	-37.59
COC1=CC=C(OC)C(OC)=C1CN(CCC#N)CC(=O)[O-]	REAL300019187194	0	41	-1.0	-49.42	328.15	5.46	-43.96
N#CCCN(CC(=O)[O-])CC1=NC=CC(Br)=C1F	REAL300019187195	0	28	-1.0	-45.74	266.69	4.68	-41.06
N#CCCN(CC(=O)[O-])CC1=CC=CC=C1C(=O)N1CCCCC1	REAL300019187196	0	46	-1.0	-49.89	357.91	8.43	-41.46
N#CCCN(CC(=O)[O-])CC1=CC=CC=C1OCC1=CC=CC=C1F	REAL300019187197	0	43	-1.0	-46.00	353.12	9.51	-36.49
N#CCCN(CC(=O)[O-])CC1=C(Br)C(C2CC2)=NN1	REAL300019187198	0	33	-1.0	-41.65	302.98	5.35	-36.30
CC1=CC(OCC2=CC=CC=C2)=CC(O)=C1CN(CCC#N)CC(=O)[O-]	REAL300019187199	1	47	-1.0	-46.46	373.49	7.23	-39.23
COC1=CC2=C(C(C)N(CCC#N)CC(=O)[O-])N=CC=C2C=C1	REAL300019187200	0	41	-1.0	-50.25	328.18	6.84	-43.41
COC(=O)C1=CC(Br)=CC(CN(CCC#N)CC(=O)[O-])=C1	REAL300019187201	0	35	-1.0	-43.64	319.88	6.95	-36.69
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(Br)O1	REAL300019187208	1	33	-1.0	-45.41	292.00	6.65	-38.76
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(Br)=CS1	REAL300019187209	1	33	-1.0	-46.87	292.79	7.03	-39.84
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300019187212	1	39	-1.0	-44.56	342.31	9.17	-35.39
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300019187213	1	39	-1.0	-43.08	333.56	8.84	-34.24
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(F)C=C1C(F)(F)F	REAL300019187214	1	39	-1.0	-43.95	319.26	9.36	-34.59
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300019187215	1	39	-1.0	-43.54	334.37	8.85	-34.69
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300019187220	1	39	-1.0	-43.58	344.70	9.28	-34.30
CN1N=CC(Br)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187223	0	36	-1.0	-44.59	306.08	5.63	-38.96
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(Br)N2C=CC=CC2=N1	REAL300019187227	0	39	-1.0	-53.19	332.13	8.49	-44.70
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=NC(Cl)=C1Cl	REAL300019187233	0	35	-1.0	-43.61	305.42	6.49	-37.12
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(C(F)(F)F)=NN1	REAL300019187236	0	36	-1.0	-43.89	311.18	5.17	-38.72
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=NC=CN1C1=CC=CC=C1	REAL300019187238	1	43	-1.0	-45.91	346.39	9.45	-36.46
CN1C2=CC(Cl)=CC=C2N=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187240	1	42	-1.0	-58.49	341.89	8.11	-50.38
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(C(F)(F)F)S1	REAL300019187242	1	36	-1.0	-43.67	318.15	7.94	-35.73
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CSC(C(F)(F)F)=C1	REAL300019187244	1	36	-1.0	-44.88	320.17	7.95	-36.93
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=NC=C(Br)S1	REAL300019187246	0	32	-1.0	-42.00	296.55	5.70	-36.30
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=NC=C(C(F)(F)F)S1	REAL300019187248	0	35	-1.0	-41.59	315.27	6.13	-35.46
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300019187255	1	49	-1.0	-53.94	386.23	9.14	-44.80
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300019187266	1	42	-1.0	-45.42	358.19	7.82	-37.60
CC1=CC=CC=C1N1C=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])N=N1	REAL300019187267	1	45	-1.0	-48.17	351.37	7.95	-40.22
CN1N=CC(I)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187271	0	36	-1.0	-44.05	312.27	6.09	-37.96
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(Br)=C(Cl)S1	REAL300019187279	0	33	-1.0	-42.05	317.14	8.05	-34.00
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300019187280	1	46	-1.0	-46.24	381.99	9.48	-36.76
CN(C)CC1=CN=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187281	1	43	-1.0	-44.22	351.60	4.60	-39.62
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(C(F)(F)F)SC=C1	REAL300019187282	1	36	-1.0	-48.87	315.46	8.28	-40.59
CN1C=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])C(I)=N1	REAL300019187284	0	36	-1.0	-49.83	320.22	6.55	-43.28
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C([O-])C=CC(Cl)=C1F	REAL300019187296	0	37	-1.0	-49.43	308.41	8.12	-41.31
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C([O-])C=CC(Cl)=C1F	REAL300019187296	1	37	-1.0	-44.32	315.74	8.74	-35.58
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(Br)C(Cl)=C1	REAL300019187299	1	36	-1.0	-44.66	325.37	8.86	-35.80
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CN=C(C2OCCO2)S1	REAL300019187300	1	41	-1.0	-47.56	343.90	4.78	-42.78
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(F)C(Cl)=C1Cl	REAL300019187302	0	36	-1.0	-42.86	315.74	8.37	-34.49
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CSC(Cl)=C1Cl	REAL300019187303	0	33	-1.0	-42.76	302.54	7.45	-35.31
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CN=C(C(F)(F)F)S1	REAL300019187308	0	35	-1.0	-42.49	313.52	6.02	-36.47
COC1=C([N+](=O)[O-])C=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1[O-]	REAL300019187310	0	43	-1.0	-63.62	348.39	9.29	-54.33
COC1=C([N+](=O)[O-])C=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1[O-]	REAL300019187310	1	43	-1.0	-59.61	347.59	9.07	-50.54
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=NC=C(C2OCCO2)S1	REAL300019187311	0	41	-1.0	-45.84	342.39	4.65	-41.19
CN1N=C(Br)C=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187313	0	36	-1.0	-43.07	313.25	5.91	-37.16
CC(C)(C)C1=CN=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187319	1	44	-1.0	-44.21	356.25	7.61	-36.60
CC1=NN(C)C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Br	REAL300019187320	0	39	-1.0	-46.29	326.51	6.27	-40.02
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(F)C=CC=C1Br	REAL300019187326	1	36	-1.0	-52.18	301.46	7.83	-44.35
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(Br)C=C1C(F)(F)F	REAL300019187327	1	39	-1.0	-43.48	334.15	9.90	-33.58
CCOC1=CC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(Br)=C1OC	REAL300019187339	1	47	-1.0	-46.22	394.11	8.67	-37.55
CCCOC1=CC=C(Br)C=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187340	1	46	-1.0	-46.59	376.53	9.60	-36.99
COC1=CC=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Br	REAL300019187344	1	40	-1.0	-44.75	339.15	7.75	-37.00
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(F)C=CC(Br)=C1F	REAL300019187368	0	36	-1.0	-47.76	315.44	8.22	-39.54
CN(C)C1=NC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C(Cl)N1C1=CC=CC=C1	REAL300019187375	0	51	-1.0	-55.60	408.87	10.52	-45.08
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(F)C=CC=C1OC(F)(F)F	REAL300019187383	0	40	-1.0	-48.01	336.03	7.62	-40.39
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=CC(I)=C1	REAL300019187384	1	36	-1.0	-45.57	317.02	8.88	-36.69
CC1=NN(C2=CC=CC=N2)C(Cl)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187387	1	45	-1.0	-52.77	377.12	9.28	-43.49
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CSC=C1Br	REAL300019187390	1	33	-1.0	-44.26	289.56	6.95	-37.31
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=NC=C(I)S1	REAL300019187393	0	32	-1.0	-42.00	303.10	6.16	-35.84
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(Br)=C2OCOC2=C1	REAL300019187402	1	39	-1.0	-45.62	336.59	7.07	-38.55
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(Br)=CC=C1F	REAL300019187404	1	36	-1.0	-46.22	316.88	8.47	-37.75
COC1=CC(Br)=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187405	1	44	-1.0	-47.69	366.87	7.65	-40.04
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(F)C(Br)=C1	REAL300019187413	1	36	-1.0	-45.20	316.24	8.45	-36.75
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(Br)=CC=C1OC(F)F	REAL300019187418	0	40	-1.0	-49.96	343.24	7.69	-42.27
CN(C)C1=CC(Cl)=CC(Cl)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187438	1	44	-1.0	-45.59	365.69	8.90	-36.69
COC(=O)C1=CC=C([N+](=O)[O-])C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187439	1	44	-1.0	-55.77	358.08	9.45	-46.32
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(O)=CC(C(F)(F)F)=C1	REAL300019187440	1	40	-1.0	-44.98	338.98	5.93	-39.05
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(C(F)(F)F)=CC=C1Br	REAL300019187442	1	39	-1.0	-44.40	346.14	9.35	-35.05
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-]	REAL300019187443	0	38	-1.0	-52.08	352.13	9.67	-42.41
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(F)C=CC(C2OCCO2)=C1Cl	REAL300019187445	1	45	-1.0	-49.43	372.46	7.72	-41.71
CCOC(=O)C1=NOC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187447	1	41	-1.0	-45.57	343.59	6.87	-38.70
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=C(F)C=C1[O-]	REAL300019187458	0	37	-1.0	-45.18	306.79	8.43	-36.75
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=C(F)C=C1[O-]	REAL300019187458	1	37	-1.0	-45.87	313.66	8.79	-37.08
CSCC1=CN=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187459	0	39	-1.0	-45.13	341.48	6.99	-38.14
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(I)S1	REAL300019187464	1	33	-1.0	-43.83	307.86	8.06	-35.77
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=CC(F)=C1Br	REAL300019187468	1	36	-1.0	-46.01	300.97	7.80	-38.21
COC(=O)CN1C=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])N=N1	REAL300019187471	1	41	-1.0	-61.90	341.44	5.27	-56.63
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(Cl)C(Cl)=C1	REAL300019187487	1	36	-1.0	-44.75	321.15	8.76	-35.99
COC1=CC=C(Br)C=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187499	1	40	-1.0	-50.64	328.88	7.77	-42.87
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(Cl)C=CC=C1Cl	REAL300019187502	1	36	-1.0	-47.32	311.26	8.37	-38.95
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187504	1	52	-1.0	-49.53	421.37	11.30	-38.23
CCCCN1N=C(C)C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Cl	REAL300019187506	1	48	-1.0	-46.56	389.94	8.74	-37.82
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(I)C=C1	REAL300019187509	1	36	-1.0	-46.67	307.80	8.31	-38.36
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(Cl)N=C(N2CCOCC2)S1	REAL300019187514	1	45	-1.0	-53.57	363.86	4.66	-48.91
CC1=CC(Br)=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187517	1	39	-1.0	-46.68	337.88	9.43	-37.25
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=CC(Br)=C1F	REAL300019187522	1	36	-1.0	-46.89	303.93	7.93	-38.96
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(F)=CC(Br)=C1	REAL300019187526	1	36	-1.0	-43.25	316.95	8.47	-34.78
CS(=O)(=O)C1=CC=CC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187529	1	42	-1.0	-55.41	349.95	5.30	-50.11
NS(=O)(=O)C1=CC=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187535	0	38	-1.0	-53.45	326.92	0.92	-52.53
CC1=CC(F)=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])C(Cl)=C1	REAL300019187538	1	39	-1.0	-47.15	327.97	8.82	-38.33
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=NC=C1Br	REAL300019187540	1	35	-1.0	-45.63	297.81	6.50	-39.13
CC1=CC([O-])=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Cl)=C1	REAL300019187541	1	40	-1.0	-55.04	326.91	8.93	-46.11
CC1=CC([O-])=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Cl)=C1	REAL300019187541	1	40	-1.0	-68.13	319.78	8.58	-59.55
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=CC2=C1OC(F)(F)O2	REAL300019187542	1	39	-1.0	-45.49	324.46	6.84	-38.65
CS(=O)(=O)C1=CC=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187544	0	39	-1.0	-52.82	342.50	4.45	-48.37
CS(=O)(=O)C1=CC=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187546	0	39	-1.0	-55.65	333.60	3.50	-52.15
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=NC2=CC([N+](=O)[O-])=CC=C2O1	REAL300019187548	1	40	-1.0	-44.70	340.39	5.49	-39.21
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(F)C=C1I	REAL300019187549	1	36	-1.0	-45.08	320.52	9.09	-35.99
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=NN(C2=CC=CC=C2)N=C1	REAL300019187554	1	42	-1.0	-50.79	344.16	7.58	-43.21
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(Cl)C=C1Cl	REAL300019187557	1	36	-1.0	-45.59	321.40	8.80	-36.79
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=CC(Cl)=C1Cl	REAL300019187558	1	36	-1.0	-46.13	306.85	8.16	-37.97
CC1=NN(C2=CC=C(Cl)C=C2)C(Cl)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187560	1	46	-1.0	-51.10	379.48	9.19	-41.91
CC1=NN(C2=CC=CC=C2)C(Cl)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187561	1	46	-1.0	-47.12	381.62	9.70	-37.42
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187578	1	49	-1.0	-47.56	405.78	10.17	-37.39
CCOC(=O)C1=NNC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187582	1	42	-1.0	-48.21	348.04	5.78	-42.43
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(Br)=CN=C1Cl	REAL300019187583	0	35	-1.0	-45.50	321.06	7.03	-38.47
NS(=O)(=O)C1=CC=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187586	1	41	-1.0	-49.98	356.60	3.28	-46.70
CN(C)CC1=NC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1	REAL300019187588	1	43	-1.0	-46.23	343.14	4.09	-42.14
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(Br)=C([N+](=O)[O-])S1	REAL300019187589	0	35	-1.0	-43.85	327.08	8.20	-35.65
CN1N=CC(C(=O)OC(C)(C)C)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187594	0	51	-1.0	-52.71	389.47	7.69	-45.02
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187615	1	46	-1.0	-46.29	397.08	10.16	-36.13
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187618	1	49	-1.0	-47.39	412.19	10.24	-37.15
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=CC(F)=C1OC(F)F	REAL300019187641	1	40	-1.0	-47.38	328.08	7.62	-39.76
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(F)=CC=C1OC(F)F	REAL300019187642	1	40	-1.0	-51.15	328.35	7.15	-44.00
CC1=C(Br)C=NC=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187644	1	38	-1.0	-42.72	319.60	6.92	-35.80
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(F)C=NC=C1Br	REAL300019187645	0	35	-1.0	-44.35	306.32	6.48	-37.87
COC1=NSC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Br	REAL300019187646	0	36	-1.0	-42.62	321.02	4.16	-38.46
CN1N=CC(C(F)(F)F)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187650	0	39	-1.0	-43.30	316.39	5.76	-37.54
CC1=CC([O-])=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187652	1	40	-1.0	-54.16	332.83	9.26	-44.90
CC1=CC([O-])=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187652	1	40	-1.0	-48.17	319.64	8.97	-39.20
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(C(F)(F)F)O1	REAL300019187654	1	36	-1.0	-43.34	304.64	6.82	-36.52
CN1C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=CN=C1Br	REAL300019187655	0	36	-1.0	-43.63	310.55	6.72	-36.91
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(C(F)(F)F)N=C2CCCCN12	REAL300019187656	1	46	-1.0	-53.03	364.00	8.53	-44.50
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(Br)C=C1[O-]	REAL300019187660	1	37	-1.0	-47.31	305.46	8.51	-38.80
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(Br)C=C1[O-]	REAL300019187660	1	37	-1.0	-47.21	313.44	8.92	-38.29
CN1N=C(C(F)(F)F)C=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187662	0	39	-1.0	-42.88	332.93	6.40	-36.48
CCOC1=C(Br)C=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187679	1	47	-1.0	-46.57	394.18	8.70	-37.87
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187681	1	52	-1.0	-47.68	427.22	10.85	-36.83
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(Br)C=C1F	REAL300019187683	0	36	-1.0	-47.21	316.89	8.48	-38.73
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(Br)S1	REAL300019187686	1	33	-1.0	-43.92	301.31	7.59	-36.33
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC2=C(C=C1Br)OCO2	REAL300019187687	1	39	-1.0	-46.07	334.20	7.12	-38.95
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(Cl)C=CC(Cl)=C1Cl	REAL300019187700	0	36	-1.0	-48.12	322.41	8.64	-39.48
CC(C)OC1=CC(Cl)=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187730	0	46	-1.0	-45.11	389.50	9.67	-35.44
CC(C)OC1=CC(Cl)=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187730	1	46	-1.0	-45.11	389.50	9.67	-35.44
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(Br)SC=C1	REAL300019187737	0	33	-1.0	-46.30	300.58	7.43	-38.87
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(Br)SC=C1	REAL300019187737	1	33	-1.0	-46.30	300.58	7.43	-38.87
CN1C=C(C2=NC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CS2)C=N1	REAL300019187739	0	42	-1.0	-49.16	351.69	6.27	-42.89
CN1C=C(C2=NC(CN3CC4(CC4)C[C@H]3CC(=O)[O-])=CS2)C=N1	REAL300019187739	1	42	-1.0	-49.16	351.69	6.27	-42.89
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=NC=C(Br)C=C1F	REAL300019187740	0	35	-1.0	-44.78	311.25	6.61	-38.17
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300019187743	0	42	-1.0	-44.85	342.01	7.32	-37.53
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300019187743	1	42	-1.0	-44.85	342.01	7.32	-37.53
CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Br)=N1	REAL300019187744	0	36	-1.0	-50.90	314.08	6.14	-44.76
CN1C=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])C(Br)=N1	REAL300019187744	1	36	-1.0	-50.90	314.08	6.14	-44.76
CC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=NC=C1Br	REAL300019187748	0	38	-1.0	-47.31	324.22	7.11	-40.20
CC1=CC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=NC=C1Br	REAL300019187748	1	38	-1.0	-47.31	324.22	7.11	-40.20
CC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(Br)C=C1F	REAL300019187749	0	39	-1.0	-45.44	334.89	9.15	-36.29
CC1=CC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C(Br)C=C1F	REAL300019187749	1	39	-1.0	-45.44	334.89	9.15	-36.29
CCOC(=O)C1=NC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187750	0	41	-1.0	-45.65	352.98	6.61	-39.04
CCOC(=O)C1=NC=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187750	1	41	-1.0	-45.65	352.98	6.61	-39.04
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(Br)=C1Cl	REAL300019187753	0	36	-1.0	-45.99	311.06	8.26	-37.73
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=CC(Br)=C1Cl	REAL300019187753	1	36	-1.0	-45.99	311.06	8.26	-37.73
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CN=C1Br	REAL300019187758	0	35	-1.0	-49.22	303.28	6.57	-42.65
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=CN=C1Br	REAL300019187758	1	35	-1.0	-49.22	303.28	6.57	-42.65
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=NC(Br)=CN1	REAL300019187762	0	33	-1.0	-42.85	284.52	4.73	-38.12
NS(=O)(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(F)=C1	REAL300019187765	0	41	-1.0	-54.25	349.83	2.81	-51.44
NS(=O)(=O)C1=CC=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])C(F)=C1	REAL300019187765	1	41	-1.0	-54.25	349.83	2.81	-51.44
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=CC=C1OC(F)F	REAL300019187776	0	40	-1.0	-50.06	338.68	7.59	-42.47
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(Cl)=CC=C1OC(F)F	REAL300019187776	1	40	-1.0	-50.06	338.68	7.59	-42.47
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CSC(C2=CC=CC=N2)=N1	REAL300019187782	0	41	-1.0	-49.73	342.43	6.61	-43.12
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CSC(C2=CC=CC=N2)=N1	REAL300019187782	1	41	-1.0	-49.73	342.43	6.61	-43.12
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=CC(Cl)=C1	REAL300019187805	0	36	-1.0	-42.94	322.70	8.80	-34.14
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(Cl)=CC(Cl)=C1	REAL300019187805	1	36	-1.0	-42.94	322.70	8.80	-34.14
CCCN1C2=CC=CC=C2N=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187809	0	48	-1.0	-45.89	379.66	9.75	-36.14
CCCN1C2=CC=CC=C2N=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187809	1	48	-1.0	-45.89	379.66	9.75	-36.14
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Br)=C2OCCOC2=C1	REAL300019187810	0	42	-1.0	-46.85	354.08	7.61	-39.24
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(Br)=C2OCCOC2=C1	REAL300019187810	1	42	-1.0	-46.85	354.08	7.61	-39.24
CN1N=C(C(=O)OC(C)(C)C)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187822	0	51	-1.0	-45.59	401.46	8.15	-37.44
CN1N=C(C(=O)OC(C)(C)C)C=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187822	1	51	-1.0	-45.59	401.46	8.15	-37.44
NC1=C(Cl)C=C(Cl)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187829	0	38	-1.0	-47.81	326.79	6.87	-40.94
NC1=C(Cl)C=C(Cl)C=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187829	1	38	-1.0	-47.81	326.79	6.87	-40.94
CC1=CC=NC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Br	REAL300019187832	0	38	-1.0	-48.81	313.32	6.73	-42.08
CC1=CC=NC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Br	REAL300019187832	1	38	-1.0	-48.81	313.32	6.73	-42.08
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(F)=C1OC(F)(F)F	REAL300019187834	0	40	-1.0	-51.17	341.29	7.68	-43.49
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=CC(F)=C1OC(F)(F)F	REAL300019187834	1	40	-1.0	-51.17	341.29	7.68	-43.49
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(CC2CCCO2)N=N1	REAL300019187842	0	46	-1.0	-47.44	357.85	5.03	-42.41
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CN(CC2CCCO2)N=N1	REAL300019187842	1	46	-1.0	-47.44	357.85	5.03	-42.41
COC(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Br	REAL300019187843	0	42	-1.0	-45.18	360.29	8.92	-36.26
COC(=O)C1=CC=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Br	REAL300019187843	1	42	-1.0	-45.18	360.29	8.92	-36.26
CC(C)(C)C1=CSC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=N1	REAL300019187847	0	44	-1.0	-44.58	354.63	7.54	-37.04
CC(C)(C)C1=CSC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=N1	REAL300019187847	1	44	-1.0	-44.58	354.63	7.54	-37.04
CC(C)(C)[Si](C)(C)OCC1=CSC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=N1	REAL300019187850	0	57	-1.0	-44.42	455.69	10.49	-33.93
CC(C)(C)[Si](C)(C)OCC1=CSC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=N1	REAL300019187850	1	57	-1.0	-44.42	455.69	10.49	-33.93
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(F)=C1I	REAL300019187854	0	36	-1.0	-46.52	311.89	8.52	-38.00
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=CC(F)=C1I	REAL300019187854	1	36	-1.0	-46.52	311.89	8.52	-38.00
CC1=CC=C(Br)C(F)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187859	0	39	-1.0	-48.16	322.51	8.47	-39.69
CC1=CC=C(Br)C(F)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187859	1	39	-1.0	-48.16	322.51	8.47	-39.69
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CSC(C2=CSC=C2)=N1	REAL300019187870	0	39	-1.0	-46.37	338.06	7.43	-38.94
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CSC(C2=CSC=C2)=N1	REAL300019187870	1	39	-1.0	-46.37	338.06	7.43	-38.94
CC(C)(C)C1=NC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1	REAL300019187872	0	44	-1.0	-46.08	348.94	7.23	-38.85
CC(C)(C)C1=NC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1	REAL300019187872	1	44	-1.0	-46.08	348.94	7.23	-38.85
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300019187876	0	42	-1.0	-49.70	349.84	8.20	-41.50
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300019187876	1	42	-1.0	-49.70	349.84	8.20	-41.50
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Br)=C2OCCCOC2=C1	REAL300019187884	0	45	-1.0	-46.53	372.51	8.38	-38.15
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC(Br)=C2OCCCOC2=C1	REAL300019187884	1	45	-1.0	-46.53	372.51	8.38	-38.15
COC1=C(Cl)C=C(Cl)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187885	0	40	-1.0	-47.62	346.56	7.88	-39.74
COC1=C(Cl)C=C(Cl)C=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187885	1	40	-1.0	-47.62	346.56	7.88	-39.74
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Br)=CC=C1O	REAL300019187892	0	37	-1.0	-52.53	312.06	8.29	-44.24
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Br)=CC=C1O	REAL300019187892	1	37	-1.0	-53.55	317.76	8.73	-44.82
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Br)=CC=C1[O-]	REAL300019187892	1	37	-1.0	-52.53	312.06	8.29	-44.24
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Br)=CC=C1[O-]	REAL300019187892	1	37	-1.0	-53.55	317.76	8.73	-44.82
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C([N+](=O)[O-])C=C1OC	REAL300019187895	0	46	-1.0	-53.46	365.49	7.88	-45.58
COC1=CC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C([N+](=O)[O-])C=C1OC	REAL300019187895	1	46	-1.0	-53.46	365.49	7.88	-45.58
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300019187900	0	44	-1.0	-53.84	351.05	7.91	-45.93
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300019187900	1	44	-1.0	-53.84	351.05	7.91	-45.93
NS(=O)(=O)C1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187909	0	41	-1.0	-53.47	343.42	2.74	-50.73
NS(=O)(=O)C1=CC=CC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187909	1	41	-1.0	-53.47	343.42	2.74	-50.73
COC1=CC=C(CN2C=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])N=N2)C=C1	REAL300019187910	0	49	-1.0	-56.77	397.55	7.42	-49.35
COC1=CC=C(CN2C=C(CN3CC4(CC4)C[C@H]3CC(=O)[O-])N=N2)C=C1	REAL300019187910	1	49	-1.0	-56.77	397.55	7.42	-49.35
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=CC(Br)=C1[O-]	REAL300019187927	0	37	-1.0	-44.46	321.17	9.07	-35.39
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=CC(Br)=C1[O-]	REAL300019187927	1	37	-1.0	-56.79	328.55	9.10	-47.69
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=C(Br)C=C(F)C=C2N1	REAL300019187942	0	40	-1.0	-42.78	349.41	8.43	-34.35
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC2=C(Br)C=C(F)C=C2N1	REAL300019187942	1	40	-1.0	-42.78	349.41	8.43	-34.35
CC1=C(Br)SC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=N1	REAL300019187946	0	35	-1.0	-42.44	315.25	6.22	-36.22
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019187950	0	39	-1.0	-59.59	333.44	9.97	-49.62
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019187950	1	39	-1.0	-52.24	334.01	10.37	-41.87
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019187953	0	37	-1.0	-44.92	316.78	8.96	-35.96
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019187953	1	37	-1.0	-57.27	324.16	8.98	-48.29
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC([N+](=O)[O-])=CC2=C1OCOC2	REAL300019187954	0	44	-1.0	-50.32	354.99	7.56	-42.76
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC([N+](=O)[O-])=CC2=C1OCOC2	REAL300019187954	1	44	-1.0	-50.32	354.99	7.56	-42.76
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019187955	0	39	-1.0	-65.53	316.69	9.47	-56.06
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300019187955	1	39	-1.0	-56.10	317.84	9.88	-46.22
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300019187977	0	39	-1.0	-42.72	341.13	9.20	-33.52
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300019187977	1	39	-1.0	-42.72	341.13	9.20	-33.52
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=NC=CN1CC(F)(F)F	REAL300019187984	0	39	-1.0	-47.99	325.77	8.42	-39.57
COC(=O)C1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=CS1	REAL300019187988	0	39	-1.0	-53.86	329.81	7.61	-46.25
COC(=O)C1=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])C=CS1	REAL300019187988	1	39	-1.0	-53.86	329.81	7.61	-46.25
CN1C=CC(C2=NC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CS2)=N1	REAL300019187989	0	42	-1.0	-51.87	351.50	6.06	-45.81
CN1C=CC(C2=NC(CN3CC4(CC4)C[C@H]3CC(=O)[O-])=CS2)=N1	REAL300019187989	1	42	-1.0	-51.87	351.50	6.06	-45.81
N#CC1=CC=C(Br)C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187992	0	37	-1.0	-46.75	329.36	8.88	-37.87
N#CC1=CC=C(Br)C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187992	1	37	-1.0	-46.75	329.36	8.88	-37.87
CS(=O)(=O)CC1(CN2C(=O)C[C@@H](C(=O)[O-])NC2=O)CCC1	REAL300019382951	0	38	-1.0	-60.60	300.12	1.85	-58.75
CS(=O)(=O)CC1(CN2C(=O)C[C@H](C(=O)[O-])NC2=O)CCC1	REAL300019382952	0	38	-1.0	-51.51	303.74	1.84	-49.67
CS(=O)(=O)CC1(CN2C(=O)C[C@H](CC(=O)[O-])NC2=O)CCC1	REAL300019382953	0	41	-1.0	-57.98	322.32	2.63	-55.35
CCS(=O)(=O)C1=CC(Cl)=CC(CN2C(=O)C[C@@H](C(=O)[O-])NC2=O)=C1	REAL300019382954	0	38	-1.0	-50.21	350.99	3.78	-46.43
CCS(=O)(=O)C1=CC(Cl)=CC(CN2C(=O)C[C@H](C(=O)[O-])NC2=O)=C1	REAL300019382955	0	38	-1.0	-41.46	351.74	3.81	-37.65
CCS(=O)(=O)C1=CC(Cl)=CC(CN2C(=O)C[C@H](CC(=O)[O-])NC2=O)=C1	REAL300019382956	0	41	-1.0	-51.38	371.64	4.63	-46.75
O=C([O-])[C@@H]1CC(=O)N(CC2=NC=CC(C(F)(F)F)=N2)C(=O)N1	REAL300019382957	0	30	-1.0	-50.19	285.00	3.26	-46.93
O=C([O-])[C@H]1CC(=O)N(CC2=NC=CC(C(F)(F)F)=N2)C(=O)N1	REAL300019382958	0	30	-1.0	-42.32	285.24	3.20	-39.12
O=C([O-])C[C@H]1CC(=O)N(CC2=NC=CC(C(F)(F)F)=N2)C(=O)N1	REAL300019382959	0	33	-1.0	-48.71	304.50	4.01	-44.70
O=C([O-])[C@@H]1CC(=O)N(CC2=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3O2)C(=O)N1	REAL300019382960	0	42	-1.0	-51.83	378.69	9.58	-42.25
O=C([O-])[C@H]1CC(=O)N(CC2=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3O2)C(=O)N1	REAL300019382961	0	42	-1.0	-40.12	372.38	9.42	-30.70
CC1(C)CCC(C)(CN2C(=O)C[C@H](CC(=O)[O-])NC2=O)CC1	REAL300019382962	0	47	-1.0	-43.14	332.49	6.70	-36.44
CC(C)(CN1C(=O)C[C@H](CC(=O)[O-])NC1=O)C1=CC=CN=C1	REAL300019382963	0	40	-1.0	-44.36	311.32	5.00	-39.36
O=C([O-])[C@@H]1CC(=O)N(CC2=NC3=C(COCC3)C(=O)N2)C(=O)N1	REAL300019382964	0	36	-1.0	-47.06	306.19	1.62	-45.44
O=C([O-])[C@H]1CC(=O)N(CC2=NC3=C(COCC3)C(=O)N2)C(=O)N1	REAL300019382965	0	36	-1.0	-42.03	307.22	1.59	-40.44
O=C([O-])C[C@H]1CC(=O)N(CC2=NC3=C(COCC3)C(=O)N2)C(=O)N1	REAL300019382966	0	39	-1.0	-47.30	326.58	2.38	-44.92
CO[C@H]1C[C@@H](CN2C(=O)C[C@@H](C(=O)[O-])NC2=O)N(C2=CC(C)=NC=N2)C1	REAL300019382967	0	46	-1.0	-47.91	365.29	4.87	-43.04
CO[C@H]1C[C@@H](CN2C(=O)C[C@H](C(=O)[O-])NC2=O)N(C2=CC(C)=NC=N2)C1	REAL300019382968	0	46	-1.0	-42.82	366.10	4.88	-37.94
CO[C@H]1C[C@@H](CN2C(=O)C[C@H](CC(=O)[O-])NC2=O)N(C2=CC(C)=NC=N2)C1	REAL300019382969	0	49	-1.0	-46.04	384.50	5.70	-40.34
CN1N=CC(I)=C1CN1C(=O)C[C@@H](C(=O)[O-])NC1=O	REAL300019382970	0	29	-1.0	-41.08	267.28	3.36	-37.72
CN1N=CC(I)=C1CN1C(=O)C[C@H](C(=O)[O-])NC1=O	REAL300019382971	0	29	-1.0	-37.10	268.06	3.40	-33.70
CN1N=CC(I)=C1CN1C(=O)C[C@H](CC(=O)[O-])NC1=O	REAL300019382972	0	32	-1.0	-41.81	288.53	4.20	-37.61
O=C([O-])C[C@H]1CC(=O)N(CC2=C3C=CNC3=CC=C2)C(=O)N1	REAL300019382973	0	36	-1.0	-48.88	301.68	6.15	-42.73
O=C([O-])[C@@H]1CC(=O)N(CC2=NOC3=CC(F)=CC=C32)C(=O)N1	REAL300019382974	0	31	-1.0	-43.49	279.86	4.30	-39.19
O=C([O-])[C@H]1CC(=O)N(CC2=NOC3=CC(F)=CC=C32)C(=O)N1	REAL300019382975	0	31	-1.0	-40.55	282.25	4.35	-36.20
O=C([O-])C[C@H]1CC(=O)N(CC2=NOC3=CC(F)=CC=C32)C(=O)N1	REAL300019382976	0	34	-1.0	-41.83	299.08	5.13	-36.70
O=C([O-])[C@@H]1CC(=O)N(CCC2=CNC3=C(F)C=C(Cl)C=C23)C(=O)N1	REAL300019382977	0	36	-1.0	-46.28	331.71	6.37	-39.91
O=C([O-])[C@H]1CC(=O)N(CCC2=CNC3=C(F)C=C(Cl)C=C23)C(=O)N1	REAL300019382978	0	36	-1.0	-38.54	332.78	6.32	-32.22
O=C([O-])C[C@H]1CC(=O)N(CCC2=CNC3=C(F)C=C(Cl)C=C23)C(=O)N1	REAL300019382979	0	39	-1.0	-43.70	351.30	7.11	-36.59
O=C([O-])C[C@H]1CC(=O)N(CCC2CCCC2(F)F)C(=O)N1	REAL300019382980	0	38	-1.0	-44.25	308.56	6.12	-38.13
O=C([O-])[C@@H]1CC(=O)N(CC(F)(F)C2=CC(F)=CC(F)=C2)C(=O)N1	REAL300019382981	0	32	-1.0	-48.50	296.32	5.78	-42.72
O=C([O-])[C@H]1CC(=O)N(CC(F)(F)C2=CC(F)=CC(F)=C2)C(=O)N1	REAL300019382982	0	32	-1.0	-37.55	296.48	5.73	-31.82
O=C([O-])C[C@H]1CC(=O)N(CC(F)(F)C2=CC(F)=CC(F)=C2)C(=O)N1	REAL300019382983	0	35	-1.0	-43.06	314.62	6.58	-36.48
O=C([O-])[C@@H]1CC(=O)N(CC2=CC=C(N3CCNC3=O)C=C2)C(=O)N1	REAL300019382984	0	39	-1.0	-55.82	325.87	3.68	-52.14
O=C([O-])[C@H]1CC(=O)N(CC2=CC=C(N3CCNC3=O)C=C2)C(=O)N1	REAL300019382985	0	39	-1.0	-47.32	326.14	3.62	-43.70
O=C([O-])C[C@H]1CC(=O)N(CC2=CC=C(N3CCNC3=O)C=C2)C(=O)N1	REAL300019382986	0	42	-1.0	-50.55	343.82	4.41	-46.14
CN1C=CN2C(CN3C(=O)C[C@@H](C(=O)[O-])NC3=O)=NN=C2C1=O	REAL300019382987	0	34	-1.0	-54.92	298.35	4.05	-50.87
CN1C=CN2C(CN3C(=O)C[C@H](C(=O)[O-])NC3=O)=NN=C2C1=O	REAL300019382988	0	34	-1.0	-50.07	297.74	4.05	-46.02
CN1C=CN2C(CN3C(=O)C[C@H](CC(=O)[O-])NC3=O)=NN=C2C1=O	REAL300019382989	0	37	-1.0	-51.65	315.89	4.84	-46.81
O=C([O-])[C@@H]1CC(=O)N(CCC2=CC(Cl)=CC(Br)=C2)C(=O)N1	REAL300019382990	0	32	-1.0	-42.65	314.60	6.86	-35.79
O=C([O-])[C@H]1CC(=O)N(CCC2=CC(Cl)=CC(Br)=C2)C(=O)N1	REAL300019382991	0	32	-1.0	-35.51	314.84	6.80	-28.71
O=C([O-])C[C@H]1CC(=O)N(CCC2=CC(Cl)=CC(Br)=C2)C(=O)N1	REAL300019382992	0	35	-1.0	-41.53	334.19	7.60	-33.93
CC1(CN2C(=O)C[C@@H](C(=O)[O-])NC2=O)OCCC2=CC=CC=C21	REAL300019382993	0	40	-1.0	-48.20	311.85	5.55	-42.65
CC1(CN2C(=O)C[C@H](C(=O)[O-])NC2=O)OCCC2=CC=CC=C21	REAL300019382994	0	40	-1.0	-40.94	312.47	6.46	-34.48
CC1(CN2C(=O)C[C@H](CC(=O)[O-])NC2=O)OCCC2=CC=CC=C21	REAL300019382995	0	43	-1.0	-46.31	330.98	7.25	-39.06
COC1=CC=C(CN2C(=O)C[C@@H](C(=O)[O-])NC2=O)C=C1C#N	REAL300019382996	0	34	-1.0	-46.21	301.55	4.65	-41.56
COC1=CC=C(CN2C(=O)C[C@H](C(=O)[O-])NC2=O)C=C1C#N	REAL300019382997	0	34	-1.0	-39.87	301.82	4.59	-35.28
COC1=CC=C(CN2C(=O)C[C@H](CC(=O)[O-])NC2=O)C=C1C#N	REAL300019382998	0	37	-1.0	-47.42	320.99	5.39	-42.03
CCSC1=CC=C(CN2C(=O)C[C@@H](C(=O)[O-])NC2=O)C=C1	REAL300019382999	0	36	-1.0	-46.24	315.00	6.82	-39.42
CCSC1=CC=C(CN2C(=O)C[C@H](C(=O)[O-])NC2=O)C=C1	REAL300019383000	0	36	-1.0	-37.25	315.31	6.76	-30.49