C=C(C)CC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017045412	1	35	-2.0	-133.06	326.42	3.54	-129.52
C=C(C)CC([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017045427	1	31	-2.0	-136.21	300.21	4.07	-132.14
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C)C(=O)[O-]	REAL300017045444	0	37	-2.0	-111.95	327.70	5.93	-106.02
C=C(C)CC(NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045445	0	34	-2.0	-112.90	331.65	5.38	-107.52
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017045446	0	41	-2.0	-95.77	371.66	3.51	-92.26
C=C(C)CC(NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017045447	0	42	-2.0	-103.31	374.48	6.02	-97.29
C=C(C)CC(NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017045448	0	41	-2.0	-117.37	366.74	5.46	-111.91
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017045449	0	41	-2.0	-115.07	366.64	4.91	-110.16
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017045450	0	40	-2.0	-99.25	342.62	5.97	-93.28
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C)C(=O)[O-]	REAL300017045451	0	38	-2.0	-119.58	333.13	3.52	-116.06
C=C(C)CC(NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045452	0	42	-2.0	-116.21	375.43	4.61	-111.60
C=C(C)CC(NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)[O-]	REAL300017045453	0	45	-2.0	-93.92	393.36	5.81	-88.11
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045454	0	41	-2.0	-105.07	364.49	5.78	-99.29
C=C(C)CC(NS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045455	0	31	-2.0	-102.33	328.84	4.68	-97.65
C=C(C)CC(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045456	0	31	-2.0	-105.81	308.34	3.81	-102.00
C=C(C)CC(NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045457	0	34	-2.0	-108.19	321.52	3.94	-104.25
C=C(C)CC(NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045458	0	40	-2.0	-114.85	359.27	4.57	-110.28
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017045459	0	44	-2.0	-97.59	394.86	6.07	-91.52
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017045460	0	38	-2.0	-95.67	363.50	5.56	-90.11
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017045461	0	41	-2.0	-97.58	367.64	5.73	-91.85
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017045462	0	47	-2.0	-99.51	410.00	6.67	-92.84
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045463	0	34	-2.0	-105.74	344.77	5.64	-100.10
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017045464	0	34	-2.0	-98.60	343.47	5.84	-92.76
C=C(C)CC(NS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017045465	0	31	-2.0	-96.09	316.06	4.29	-91.80
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017045466	0	40	-2.0	-101.14	341.74	6.13	-95.01
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)C(=O)[O-]	REAL300017045467	0	37	-2.0	-98.30	324.72	5.48	-92.82
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045468	0	34	-2.0	-102.52	338.41	5.40	-97.12
C=C(C)CC(NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045469	0	34	-2.0	-102.25	325.76	4.90	-97.35
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017045470	0	34	-2.0	-100.92	331.77	5.49	-95.43
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017045471	0	34	-2.0	-96.59	320.98	4.80	-91.79
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C(=O)[O-]	REAL300017045472	0	37	-2.0	-112.11	336.96	5.88	-106.23
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045473	0	34	-2.0	-107.73	337.80	5.33	-102.40
C=C(C)CC(NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045474	0	34	-2.0	-106.84	337.45	5.25	-101.59
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C(=O)[O-]	REAL300017045475	0	37	-2.0	-111.88	337.16	5.44	-106.44
C=C(C)CC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017045499	1	34	-2.0	-132.82	310.53	5.09	-127.73
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017045546	0	34	-2.0	-100.78	341.92	5.96	-94.82
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017045547	0	38	-2.0	-110.86	346.95	4.68	-106.18
C=C(C)CC(NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045548	0	35	-2.0	-117.97	325.18	2.80	-115.17
C=C(C)CC(NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017045549	0	38	-2.0	-100.98	346.89	6.19	-94.79
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017045550	0	34	-2.0	-109.16	326.10	5.34	-103.82
C=C(C)CC(NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017045551	0	40	-2.0	-98.20	359.95	6.37	-91.83
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017045552	0	34	-2.0	-102.84	319.72	5.01	-97.83
C=C(C)CC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017045553	0	37	-2.0	-100.52	338.80	5.54	-94.98
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045554	0	38	-2.0	-122.72	343.42	4.84	-117.88
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017045555	0	38	-2.0	-97.79	347.56	5.05	-92.74
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017045556	0	38	-2.0	-96.49	353.46	5.12	-91.37
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)[O-]	REAL300017045557	0	34	-2.0	-102.41	321.81	5.06	-97.35
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017045558	0	34	-2.0	-94.23	328.71	5.17	-89.06
C=C(C)CC(NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017045559	0	37	-2.0	-118.89	343.71	5.59	-113.30
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017045560	0	42	-2.0	-98.58	380.22	6.16	-92.42
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017045561	0	34	-2.0	-97.89	328.34	4.98	-92.91
C=C(C)CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017045561	1	33	-3.0	-192.63	323.60	5.24	-187.39
C=C(C)CC(NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045562	0	40	-2.0	-112.19	356.59	6.01	-106.18
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017045563	0	36	-2.0	-98.40	347.54	5.49	-92.91
C=C(C)CC(NS(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017045564	0	38	-2.0	-97.33	349.75	5.25	-92.08
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017045565	0	34	-2.0	-93.64	332.47	5.27	-88.37
C=C(C)CC(NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045566	0	37	-2.0	-109.03	341.94	5.44	-103.59
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F)C(=O)[O-]	REAL300017045567	0	37	-2.0	-110.81	335.38	5.38	-105.43
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl)C(=O)[O-]	REAL300017045568	0	37	-2.0	-112.95	340.36	6.10	-106.85
C=C(C)CC(NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045569	0	37	-2.0	-106.92	350.59	5.79	-101.13
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017045570	0	37	-2.0	-104.53	336.04	5.84	-98.69
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl)C(=O)[O-]	REAL300017045571	0	38	-2.0	-108.95	355.79	5.46	-103.49
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F)C(=O)[O-]	REAL300017045572	0	38	-2.0	-102.06	363.41	5.22	-96.84
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017045573	0	36	-2.0	-96.13	326.21	5.85	-90.28
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017045574	0	31	-2.0	-105.90	311.36	3.95	-101.95
C=C(C)CC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017045575	0	37	-2.0	-102.10	337.45	5.61	-96.49
C=C(C)CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045576	0	36	-2.0	-118.72	342.70	5.85	-112.87
C=C(C)CC(NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C)C(=O)[O-]	REAL300017045577	0	46	-2.0	-122.73	380.61	7.58	-115.15
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(=O)[O-]	REAL300017045578	0	36	-2.0	-104.65	333.02	6.97	-97.68
C=C(C)CC(NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045579	0	43	-2.0	-108.15	359.13	6.29	-101.86
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045580	0	37	-2.0	-110.44	350.83	5.86	-104.58
C=C(C)CC(NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045581	0	37	-2.0	-111.16	344.08	5.50	-105.66
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045582	0	40	-2.0	-126.43	360.39	6.96	-119.47
C=C(C)CC([N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017045589	1	34	-2.0	-129.77	323.23	3.30	-126.47
C=C(C)CC([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017045621	0	33	-2.0	-140.81	317.80	2.94	-137.87
C=C(C)CC([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017045631	1	31	-2.0	-139.88	299.39	5.33	-134.55
C=C(C)CC([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017045636	1	30	-2.0	-124.35	299.76	4.08	-120.27
C=C(C)CC([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017045668	1	34	-2.0	-143.16	324.18	4.12	-139.04
C=C(C)CC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017045689	0	33	-2.0	-143.28	316.81	2.88	-140.40
C=C(C)CC([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300017045694	1	35	-2.0	-139.60	337.42	4.19	-135.41
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017045699	0	34	-2.0	-97.42	330.46	5.10	-92.32
C=C(C)CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017045699	1	33	-3.0	-187.34	328.00	5.26	-182.08
C=C(C)CC(NS(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC)C(=O)[O-]	REAL300017045701	0	45	-2.0	-120.74	396.57	5.48	-115.26
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)C(=O)[O-]	REAL300017045702	0	38	-2.0	-100.65	337.68	4.93	-95.72
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017045703	0	34	-2.0	-118.17	322.38	4.91	-113.26
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045718	0	36	-3.0	-174.60	344.66	5.32	-169.28
C=C(C)CC(NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O)C(=O)[O-]	REAL300017045719	0	38	-2.0	-117.48	346.11	4.03	-113.45
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300017045720	0	34	-3.0	-197.44	322.41	3.50	-193.94
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(=O)[O-]	REAL300017045720	1	35	-2.0	-119.01	321.38	2.90	-116.11
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(=O)[O-]	REAL300017045721	0	33	-2.0	-105.23	313.32	2.88	-102.35
C=C(C)CC(NS(=O)(=O)C1=C(C)NN=C1C(=O)[O-])C(=O)[O-]	REAL300017045722	0	34	-2.0	-137.25	303.94	2.47	-134.78
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300017045723	0	37	-2.0	-114.92	329.08	5.51	-109.41
C=C(C)CC(NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045724	0	31	-2.0	-100.04	302.11	3.30	-96.74
C=C(C)CC([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017045727	0	28	-2.0	-127.24	282.55	3.34	-123.90
C=C(C)CC([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300017045739	1	35	-2.0	-131.73	327.85	4.65	-127.08
C=C(C)CC([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300017045762	0	34	-2.0	-118.78	339.41	4.08	-114.70
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045765	0	38	-2.0	-112.39	359.91	5.32	-107.07
C=C(C)CC([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017045770	1	34	-2.0	-141.59	312.14	3.68	-137.91
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300017045772	0	32	-2.0	-95.09	321.05	4.30	-90.79
C=C(C)CC(NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017045832	0	34	-2.0	-99.78	319.39	4.79	-94.99
C=C(C)CC(NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045833	0	34	-2.0	-107.11	327.92	4.88	-102.23
C=C(C)CC([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300017045842	0	31	-2.0	-132.60	313.15	5.43	-127.17
C=C(C)CC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017045843	1	33	-2.0	-120.04	321.79	3.96	-116.08
C=C(C)CC([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300017045847	1	35	-2.0	-141.11	340.35	4.96	-136.15
C=C(C)CC([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017045850	1	31	-2.0	-128.04	310.86	5.16	-122.88
C=C(C)CC(NS(=O)(=O)C1=CC(C(=O)OCC)=N[N-]1)C(=O)[O-]	REAL300017045863	1	37	-2.0	-98.93	344.71	2.06	-96.87
C=C(C)CC(NS(=O)(=O)C1=N[N-]C(C(=O)OCC)=C1)C(=O)[O-]	REAL300017045863	1	37	-2.0	-99.04	344.90	2.04	-97.00
C=C(C)CC([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300017045874	1	35	-2.0	-130.33	342.01	5.24	-125.09
C=C(C)CC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017045881	1	28	-2.0	-118.88	305.84	4.79	-114.09
C=C(C)CC(NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C(=O)[O-]	REAL300017045940	0	41	-2.0	-99.38	362.00	6.65	-92.73
C=C(C)CC([N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017045944	1	38	-2.0	-130.67	355.77	5.03	-125.64
C=C(C)CC(NS(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017045952	0	37	-2.0	-108.59	342.79	4.74	-103.85
O=C([O-])C1=CSC(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3)CC2)=N1	REAL300017045980	0	40	-2.0	-108.11	368.09	6.20	-101.91
O=C([O-])C1=CSC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)=N1	REAL300017045981	0	40	-2.0	-104.69	368.55	6.19	-98.50
CN1C=C(S(=O)(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C=C1C(=O)[O-]	REAL300017045982	0	41	-2.0	-107.73	375.19	5.53	-102.20
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017048863	1	34	-2.0	-122.16	325.03	5.49	-116.67
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017048869	1	39	-2.0	-132.75	354.18	5.70	-127.05
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017048892	1	39	-2.0	-125.06	336.50	3.92	-121.14
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017048910	1	39	-2.0	-132.40	343.86	5.26	-127.14
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017048981	1	36	-2.0	-123.81	318.61	3.33	-120.48
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017048983	0	35	-2.0	-151.59	304.17	6.13	-145.46
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017048986	1	33	-2.0	-136.41	301.07	5.35	-131.06
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017048994	0	35	-2.0	-130.19	325.86	7.20	-122.99
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017049165	1	37	-2.0	-137.98	317.04	4.10	-133.88
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017049181	1	33	-2.0	-135.80	293.25	4.57	-131.23
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C)C(=O)[O-]	REAL300017049198	0	39	-2.0	-108.80	335.52	5.64	-103.16
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049199	0	36	-2.0	-97.48	330.09	5.14	-92.34
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017049200	0	43	-2.0	-95.05	370.99	3.23	-91.82
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017049201	0	44	-2.0	-104.98	375.05	5.81	-99.17
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017049202	0	43	-2.0	-118.11	362.41	5.31	-112.80
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017049203	0	43	-2.0	-103.97	365.02	4.78	-99.19
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017049204	0	42	-2.0	-120.30	346.38	6.15	-114.15
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C)C(=O)[O-]	REAL300017049205	0	40	-2.0	-119.25	338.38	3.65	-115.60
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049206	0	44	-2.0	-101.52	372.87	4.45	-97.07
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)[O-]	REAL300017049207	0	47	-2.0	-95.29	391.45	5.71	-89.58
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C1C(=O)[O-]	REAL300017049208	0	43	-2.0	-125.19	363.68	5.62	-119.57
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049209	0	33	-2.0	-112.88	306.50	3.69	-109.19
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049210	0	36	-2.0	-109.14	319.68	3.79	-105.35
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049211	0	42	-2.0	-120.02	355.97	4.43	-115.59
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017049212	0	46	-2.0	-102.97	394.30	5.90	-97.07
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017049213	0	40	-2.0	-99.32	360.94	5.47	-93.85
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017049214	0	43	-2.0	-98.92	365.67	5.63	-93.29
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017049215	0	49	-2.0	-100.67	408.12	6.56	-94.11
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049216	0	36	-2.0	-93.93	342.24	5.49	-88.44
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017049217	0	36	-2.0	-102.52	343.19	5.74	-96.78
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017049218	0	42	-2.0	-102.95	348.89	6.21	-96.74
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)C(=O)[O-]	REAL300017049219	0	39	-2.0	-100.78	330.32	5.61	-95.17
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049220	0	36	-2.0	-109.62	335.85	5.26	-104.36
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049221	0	36	-2.0	-107.43	320.24	4.72	-102.71
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017049222	0	36	-2.0	-95.19	328.75	5.27	-89.92
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017049223	0	36	-2.0	-101.03	319.06	4.68	-96.35
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C(=O)[O-]	REAL300017049224	0	39	-2.0	-109.27	343.72	6.02	-103.25
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049225	0	36	-2.0	-95.60	335.27	5.17	-90.43
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049226	0	36	-2.0	-93.02	332.21	5.10	-87.92
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C(=O)[O-]	REAL300017049227	0	39	-2.0	-109.60	340.79	5.40	-104.20
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017049251	1	36	-2.0	-134.98	308.83	4.94	-130.04
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017049299	0	36	-2.0	-101.59	340.23	5.69	-95.90
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017049300	0	40	-2.0	-110.80	340.14	4.54	-106.26
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049301	0	37	-2.0	-102.02	322.63	2.70	-99.32
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017049302	0	40	-2.0	-99.42	345.26	5.95	-93.47
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017049303	0	36	-2.0	-109.39	331.44	5.45	-103.94
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017049304	0	42	-2.0	-98.98	357.40	6.24	-92.74
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017049305	0	36	-2.0	-103.78	317.69	4.73	-99.05
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017049306	0	39	-2.0	-100.65	336.72	5.43	-95.22
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049307	0	40	-2.0	-106.65	341.12	4.72	-101.93
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017049308	0	40	-2.0	-98.81	344.89	4.94	-93.87
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017049309	0	40	-2.0	-101.14	351.14	5.00	-96.14
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)[O-]	REAL300017049310	0	36	-2.0	-94.94	321.17	4.76	-90.18
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017049311	0	36	-2.0	-97.91	327.03	5.04	-92.87
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017049312	0	39	-2.0	-103.21	340.07	5.40	-97.81
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017049313	0	44	-2.0	-97.98	377.55	6.06	-91.92
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017049314	0	36	-2.0	-100.82	327.50	4.82	-96.00
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017049314	1	35	-3.0	-199.02	321.65	5.14	-193.88
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049315	0	42	-2.0	-119.87	347.40	5.71	-114.16
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017049316	0	38	-2.0	-92.16	342.75	5.31	-86.85
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017049317	0	40	-2.0	-107.95	355.22	5.38	-102.57
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017049318	0	36	-2.0	-97.20	330.77	5.13	-92.07
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049319	0	39	-2.0	-117.06	338.64	5.30	-111.76
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F)C(=O)[O-]	REAL300017049320	0	39	-2.0	-104.32	334.49	5.31	-99.01
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl)C(=O)[O-]	REAL300017049321	0	39	-2.0	-110.51	346.75	5.86	-104.65
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049322	0	39	-2.0	-115.83	345.76	5.60	-110.23
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017049323	0	39	-2.0	-94.36	342.38	5.87	-88.49
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl)C(=O)[O-]	REAL300017049324	0	40	-2.0	-109.31	351.20	5.28	-104.03
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F)C(=O)[O-]	REAL300017049325	0	40	-2.0	-94.71	359.74	5.00	-89.71
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017049326	0	38	-2.0	-92.33	332.93	6.19	-86.14
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017049327	0	33	-2.0	-101.70	306.56	3.80	-97.90
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017049328	0	39	-2.0	-104.11	336.74	5.42	-98.69
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049329	0	38	-2.0	-102.59	341.11	5.74	-96.85
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C)C(=O)[O-]	REAL300017049330	0	48	-2.0	-101.11	378.36	7.51	-93.60
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(=O)[O-]	REAL300017049331	0	38	-2.0	-105.35	339.43	6.57	-98.78
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049332	0	45	-2.0	-105.59	365.69	6.40	-99.19
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049333	0	39	-2.0	-95.81	343.71	5.61	-90.20
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049334	0	39	-2.0	-94.91	335.00	5.23	-89.68
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049335	0	42	-2.0	-126.25	355.47	6.77	-119.48
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017049342	1	36	-2.0	-130.85	318.95	3.29	-127.56
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017049374	0	35	-2.0	-136.45	319.21	2.28	-134.17
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017049384	1	33	-2.0	-138.34	297.49	5.22	-133.12
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017049389	1	32	-2.0	-127.99	300.40	3.86	-124.13
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017049421	1	36	-2.0	-143.67	319.66	4.01	-139.66
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017049442	0	35	-2.0	-147.52	308.53	3.48	-144.04
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300017049447	1	37	-2.0	-143.70	330.38	4.67	-139.03
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017049453	0	36	-2.0	-99.76	331.48	4.89	-94.87
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017049453	1	35	-3.0	-193.35	326.08	5.15	-188.20
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC)C(=O)[O-]	REAL300017049455	0	47	-2.0	-115.05	389.67	5.43	-109.62
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)C(=O)[O-]	REAL300017049456	0	40	-2.0	-100.44	343.24	4.50	-95.94
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017049457	0	36	-2.0	-118.28	315.91	4.71	-113.57
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049472	0	38	-3.0	-176.98	342.23	5.21	-171.77
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O)C(=O)[O-]	REAL300017049473	0	40	-2.0	-101.44	344.14	3.79	-97.65
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300017049474	0	36	-3.0	-199.59	318.13	3.37	-196.22
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(=O)[O-]	REAL300017049474	1	37	-2.0	-114.71	325.06	2.46	-112.25
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(=O)[O-]	REAL300017049475	0	35	-2.0	-103.60	309.15	3.05	-100.55
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)NN=C1C(=O)[O-])C(=O)[O-]	REAL300017049476	0	36	-2.0	-111.90	304.60	2.49	-109.41
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300017049477	0	39	-2.0	-117.37	336.06	5.55	-111.82
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049478	0	33	-2.0	-100.53	315.89	3.66	-96.87
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017049481	0	30	-2.0	-130.31	283.16	3.14	-127.17
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300017049492	1	37	-2.0	-135.17	315.54	4.96	-130.21
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300017049515	0	36	-2.0	-120.43	337.69	3.93	-116.50
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049518	0	40	-2.0	-98.66	358.33	5.19	-93.47
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017049523	1	36	-2.0	-144.32	310.90	3.56	-140.76
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300017049525	0	34	-2.0	-98.61	326.21	3.74	-94.87
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017049584	0	36	-2.0	-119.58	323.54	4.80	-114.78
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017049585	0	36	-2.0	-95.16	325.38	4.74	-90.42
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300017049594	0	33	-2.0	-134.05	311.27	5.34	-128.71
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017049595	1	35	-2.0	-123.64	322.46	3.73	-119.91
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300017049599	1	37	-2.0	-145.51	333.29	5.45	-140.06
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017049602	1	33	-2.0	-125.90	308.98	5.07	-120.83
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=C1	REAL300017049615	1	39	-2.0	-101.93	341.09	1.88	-100.05
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)=N[N-]1	REAL300017049615	1	39	-2.0	-102.01	341.14	1.88	-100.13
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300017049627	1	37	-2.0	-133.87	329.72	5.53	-128.34
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017049635	1	30	-2.0	-120.28	304.10	4.65	-115.63
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C(=O)[O-]	REAL300017049695	0	43	-2.0	-109.13	359.28	6.54	-102.59
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017049699	1	40	-2.0	-132.23	346.99	5.60	-126.63
CCC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C(C(=O)[O-])O1	REAL300017049708	0	39	-2.0	-108.99	340.21	4.59	-104.40
CCN1C=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1C(=O)[O-]	REAL300017049715	0	45	-2.0	-103.61	393.67	4.44	-99.17
O=C([O-])C1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049718	0	41	-2.0	-108.65	375.20	4.28	-104.37
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1C(=O)[O-]	REAL300017049719	0	44	-2.0	-115.37	380.44	4.72	-110.65
O=C([O-])C1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1	REAL300017049720	0	41	-2.0	-98.77	369.12	4.31	-94.46
O=C([O-])CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])S1	REAL300017049721	0	41	-2.0	-103.77	389.79	4.22	-99.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049722	0	44	-2.0	-106.73	389.23	5.18	-101.55
O=C([O-])C1=CSC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049723	0	38	-2.0	-108.39	357.59	3.21	-105.18
CN1C=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C1C(=O)[O-]	REAL300017049724	0	42	-2.0	-118.68	381.25	3.63	-115.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1	REAL300017049725	0	41	-2.0	-106.31	383.72	3.97	-102.34
CC1=C(C(=O)[O-])C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=C(C)O1	REAL300017049726	0	44	-2.0	-110.34	378.81	4.55	-105.79
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049727	0	44	-2.0	-104.82	384.35	5.03	-99.79
CC1=CC(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])=CC=C1C(=O)[O-]	REAL300017049728	0	44	-2.0	-100.27	391.21	4.82	-95.45
CN1C=C(S(=O)(=O)[N-]CC(CC2=CC=CC(O)=C2)C(=O)[O-])C(=O)N(C)C1=O	REAL300017049733	1	44	-2.0	-138.27	391.10	2.36	-135.91
O=C([O-])C(C[N-]S(=O)(=O)C1=C(F)C=CS1)CC1=CC=CC(O)=C1	REAL300017049759	1	35	-2.0	-128.75	342.80	2.41	-126.34
O=C([O-])C(C[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)CC1=CC=CC(O)=C1	REAL300017049776	1	38	-2.0	-121.97	362.58	3.53	-118.44
O=C([O-])C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)CC1=CC=CC(O)=C1	REAL300017049778	0	38	-2.0	-136.51	343.86	3.60	-132.91
O=C([O-])C(C[N-]S(=O)(=O)C1=CC(F)=CC=C1F)CC1=CC=CC(O)=C1	REAL300017049793	1	38	-2.0	-128.83	356.43	3.48	-125.35
O=C([O-])C(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)CC1=CC=CC(O)=C1	REAL300017049805	1	41	-2.0	-125.39	380.70	3.82	-121.57
O=C([O-])C(C[N-]S(=O)(=O)C1=C(Cl)C=CS1)CC1=CC=CC(O)=C1	REAL300017049811	1	35	-2.0	-126.60	352.50	2.81	-123.79
CC1=CC(F)=C(S(=O)(=O)[N-]CC(CC2=CC=CC(O)=C2)C(=O)[O-])C(F)=C1	REAL300017049819	1	41	-2.0	-135.94	365.24	4.27	-131.67
O=C([O-])C(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)CC1=CC=CC(O)=C1	REAL300017049824	1	38	-2.0	-123.39	357.56	3.89	-119.50
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])S1	REAL300017049827	1	41	-2.0	-94.15	378.83	0.04	-94.11
CC1=C(S(=O)(=O)NCC(CC2=CC=CC(O)=C2)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017049831	0	41	-2.0	-105.03	374.57	4.19	-100.84
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(CC1=CC=CC(O)=C1)C(=O)[O-]	REAL300017049843	1	44	-2.0	-149.05	398.65	1.86	-147.19
CC1=C(S(=O)(=O)[N-]CC(CC2=CC=CC(O)=C2)C(=O)[O-])C(N)=NO1	REAL300017049873	1	39	-2.0	-113.04	341.77	0.72	-112.32
O=C([O-])C(C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)CC1=CC=CC(O)=C1	REAL300017049912	1	38	-2.0	-113.97	353.53	3.49	-110.48
O=C([O-])C(C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)CC1=CC=CC(O)=C1	REAL300017049920	0	38	-2.0	-124.96	350.24	3.67	-121.29
CN1C=NC(S(=O)(=O)[N-]CC(CC2=CC=CC(O)=C2)C(=O)[O-])=C1Cl	REAL300017049933	1	38	-2.0	-138.56	361.99	2.92	-135.64
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC(CC2=CC=CC(O)=C2)C(=O)[O-])O1	REAL300017049963	1	44	-2.0	-122.64	401.96	2.72	-119.92
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC(CC2=CC=CC(O)=C2)C(=O)[O-])O1	REAL300017049993	1	41	-2.0	-115.87	374.88	2.11	-113.76
O=C([O-])C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])CC1=CC=CC(O)=C1	REAL300017049996	0	40	-2.0	-153.09	370.51	5.08	-148.01
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC(O)C(=O)[O-])C=C1Br	REAL300017058245	1	26	-2.0	-102.16	290.20	0.30	-101.86
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC(O)C(=O)[O-])=C1F	REAL300017058247	1	31	-2.0	-113.10	319.35	0.50	-112.60
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300017058255	1	25	-2.0	-101.28	292.62	1.06	-100.22
NC(=O)C1=CC(S(=O)(=O)[N-]CC(O)C(=O)[O-])=C(F)C=C1Br	REAL300017058262	1	29	-2.0	-104.68	300.47	-3.19	-107.87
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC(O)C(=O)[O-])O1	REAL300017058267	1	31	-2.0	-105.86	301.66	-1.28	-107.14
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC(O)C(=O)[O-])=C1F	REAL300017058282	1	31	-2.0	-112.61	309.03	0.06	-112.55
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(OC)=C1	REAL300017058289	1	43	-2.0	-93.67	380.22	-1.95	-95.62
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017058325	1	25	-2.0	-103.17	277.81	0.86	-102.31
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017058353	0	27	-2.0	-127.22	266.93	1.06	-126.16
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017058356	1	25	-2.0	-115.91	263.86	0.29	-115.62
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017058364	0	27	-2.0	-113.43	291.03	2.10	-111.33
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC(O)C(=O)[O-])O1	REAL300017058377	1	31	-2.0	-105.15	305.63	-0.97	-106.12
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017058381	1	28	-2.0	-115.47	282.68	1.50	-113.97
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017058382	1	27	-2.0	-113.65	284.07	1.54	-112.11
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017058385	1	22	-2.0	-108.96	256.53	-1.08	-110.04
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017058389	1	24	-2.0	-103.32	273.84	-1.37	-104.69
CCN1C=C(S(=O)(=O)[N-]CC(O)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017058393	1	30	-2.0	-117.12	294.55	0.23	-116.89
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017058394	1	27	-2.0	-120.05	277.64	0.75	-119.30
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017058397	1	27	-2.0	-117.44	284.06	1.56	-115.88
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(F)=C1	REAL300017058399	1	33	-2.0	-99.51	315.01	-3.72	-103.23
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017058417	1	27	-2.0	-123.30	274.29	1.59	-121.71
CCCCCCN1C=C(S(=O)(=O)[N-]CC(O)C(=O)[O-])C(=O)NC1=O	REAL300017058435	1	43	-2.0	-113.44	380.44	0.08	-113.36
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017058440	1	22	-2.0	-104.80	248.60	-1.96	-106.76
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017058442	1	22	-2.0	-103.36	271.70	-0.40	-103.76
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC(O)C(=O)[O-])C(F)=C1	REAL300017058458	0	26	-2.0	-108.53	273.52	0.02	-108.51
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058474	0	40	-2.0	-106.59	357.85	-2.98	-109.57
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017058477	1	24	-2.0	-100.62	269.66	-1.46	-102.08
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300017058492	1	25	-2.0	-102.23	293.47	0.99	-101.24
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017058499	1	25	-2.0	-104.58	285.85	0.48	-104.10
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017058502	1	25	-2.0	-104.00	279.39	0.47	-103.53
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300017058516	1	25	-2.0	-104.02	291.93	0.95	-103.07
COC1=CC(F)=C(S(=O)(=O)[N-]CC(O)C(=O)[O-])C(F)=C1	REAL300017058528	1	29	-2.0	-114.84	282.22	-1.07	-115.91
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058560	0	31	-2.0	-99.06	294.69	1.23	-97.83
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1Br	REAL300017058561	0	28	-2.0	-104.96	291.19	0.77	-104.19
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058562	0	35	-2.0	-92.36	331.16	-1.13	-93.49
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058563	0	36	-2.0	-96.59	326.55	1.40	-95.19
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058564	0	35	-2.0	-97.76	317.38	0.89	-96.87
COC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1CC(=O)[O-]	REAL300017058565	0	35	-2.0	-102.67	325.40	0.41	-102.26
CC1=CC(C)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(=O)[O-]	REAL300017058566	0	34	-2.0	-106.80	305.16	1.74	-105.06
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058567	0	32	-2.0	-107.18	298.15	-0.76	-107.94
COC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017058568	0	36	-2.0	-109.67	333.26	0.09	-109.58
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017058569	0	39	-2.0	-91.07	351.78	1.34	-89.73
CCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(=O)[O-]	REAL300017058570	0	35	-2.0	-103.73	324.08	1.26	-102.47
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C(Br)S1	REAL300017058571	0	25	-2.0	-90.33	272.69	-0.42	-90.75
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC2=C1OCCO2	REAL300017058572	0	34	-2.0	-102.81	317.11	0.05	-102.76
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1F	REAL300017058573	0	38	-2.0	-95.05	354.68	1.53	-93.52
O=C([O-])COC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Cl	REAL300017058574	0	32	-2.0	-93.82	322.05	1.11	-92.71
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Cl	REAL300017058575	0	38	-2.0	-94.24	364.48	2.02	-92.22
CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017058576	0	35	-2.0	-94.67	326.09	1.27	-93.40
CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017058577	0	41	-2.0	-94.66	368.54	2.20	-92.46
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC(Cl)=C1Cl	REAL300017058578	0	28	-2.0	-99.74	302.61	1.13	-98.61
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058579	0	28	-2.0	-88.71	291.68	0.81	-87.90
O=C([O-])C1=CC(Br)=C(S(=O)(=O)NCC(O)C(=O)[O-])S1	REAL300017058580	0	25	-2.0	-92.83	283.19	-0.17	-93.00
CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017058581	0	34	-2.0	-100.50	307.92	1.79	-98.71
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058582	0	31	-2.0	-97.03	289.53	1.20	-95.83
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058583	0	28	-2.0	-92.73	296.22	0.89	-91.84
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058584	0	28	-2.0	-92.36	281.34	0.35	-92.01
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058585	0	31	-2.0	-92.88	305.33	1.67	-91.21
O=C([O-])C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(Cl)=C1	REAL300017058586	0	28	-2.0	-93.93	276.51	0.34	-93.59
O=C([O-])C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1F	REAL300017058587	0	28	-2.0	-96.67	279.45	0.32	-96.35
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058588	0	31	-2.0	-99.99	303.39	1.62	-98.37
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC(Cl)=C1F	REAL300017058589	0	28	-2.0	-102.11	295.64	0.81	-101.30
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC(F)=C1Cl	REAL300017058590	0	28	-2.0	-99.17	293.29	0.72	-98.45
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1F	REAL300017058591	0	31	-2.0	-93.37	293.43	0.67	-92.70
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1Br	REAL300017058592	0	31	-2.0	-99.81	309.49	1.60	-98.21
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C(Cl)C=C1Cl	REAL300017058658	0	28	-2.0	-89.67	288.87	0.73	-88.94
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058659	0	32	-2.0	-96.91	295.08	0.12	-96.79
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1O	REAL300017058660	0	29	-2.0	-99.18	283.74	-1.67	-100.85
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058661	0	32	-2.0	-96.81	306.15	1.58	-95.23
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058662	0	28	-2.0	-99.07	291.07	1.04	-98.03
O=C([O-])CCC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058663	0	34	-2.0	-93.69	318.51	1.87	-91.82
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058664	0	28	-2.0	-93.24	272.90	0.04	-93.20
O=C([O-])CC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058665	0	31	-2.0	-94.72	297.11	1.07	-93.65
COC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(=O)[O-]	REAL300017058666	0	32	-2.0	-114.64	302.22	0.35	-114.29
O=C([O-])COC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058667	0	32	-2.0	-94.36	305.78	0.57	-93.79
O=C([O-])COC1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1F	REAL300017058668	0	32	-2.0	-95.40	312.24	0.63	-94.77
O=C([O-])C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(F)=C1	REAL300017058669	0	28	-2.0	-95.20	273.12	0.05	-95.15
O=C([O-])C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Cl	REAL300017058670	0	28	-2.0	-93.87	287.43	0.68	-93.19
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058671	0	31	-2.0	-115.65	292.72	0.67	-114.98
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1	REAL300017058672	0	36	-2.0	-94.65	338.43	1.69	-92.96
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058673	0	28	-2.0	-89.07	279.42	0.10	-88.97
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC(O)C(=O)[O-])=C1	REAL300017058673	1	27	-3.0	-169.22	284.44	0.00	-169.22
CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017058674	0	34	-2.0	-100.05	312.42	1.48	-98.57
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058675	0	30	-2.0	-96.32	303.12	0.95	-95.37
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C(Br)C=C1F	REAL300017058676	0	28	-2.0	-98.52	295.60	1.06	-97.46
COC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017058677	0	32	-2.0	-98.26	303.51	0.40	-97.86
O=C([O-])C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1Br	REAL300017058678	0	28	-2.0	-93.11	291.16	0.78	-92.33
CC1=C(Br)C=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(=O)[O-]	REAL300017058679	0	31	-2.0	-103.22	312.77	1.44	-101.78
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058680	0	31	-2.0	-100.17	307.42	1.72	-98.45
CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017058681	0	31	-2.0	-98.69	299.78	0.93	-97.76
COC1=CC(Br)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(=O)[O-]	REAL300017058682	0	32	-2.0	-104.97	318.32	1.10	-103.87
CC1=CC(F)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(=O)[O-]	REAL300017058683	0	31	-2.0	-93.04	288.98	0.58	-92.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1Cl	REAL300017058684	0	31	-2.0	-92.84	295.22	0.92	-91.92
CC1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017058685	0	31	-2.0	-96.05	306.17	1.24	-94.81
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058686	0	31	-2.0	-92.78	300.77	1.56	-91.22
COC1=CC(Cl)=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(=O)[O-]	REAL300017058687	0	32	-2.0	-97.40	303.59	0.41	-96.99
O=C([O-])C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(OC(F)(F)F)=C1	REAL300017058688	0	32	-2.0	-94.52	311.82	0.61	-93.91
CC1=C(Br)C=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017058689	0	34	-2.0	-97.36	326.98	2.22	-95.14
O=C([O-])C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300017058690	0	30	-2.0	-90.81	292.36	1.79	-89.02
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058691	0	31	-2.0	-96.11	297.11	1.06	-95.05
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017058692	0	30	-2.0	-102.59	301.50	1.38	-101.21
CC1=CC(C)=C(S(=O)(=O)NCC(O)C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017058693	0	40	-2.0	-112.52	332.33	2.80	-109.72
O=C([O-])C1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1[N+](=O)[O-]	REAL300017058694	0	30	-2.0	-103.69	298.15	2.08	-101.61
CC(C)(C)C1=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017058695	0	37	-2.0	-104.05	324.15	2.09	-101.96
CC1=C(Cl)C=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(=O)[O-]	REAL300017058696	0	31	-2.0	-103.00	308.67	1.35	-101.65
CC1=C(F)C=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C1C(=O)[O-]	REAL300017058697	0	31	-2.0	-101.96	299.87	0.96	-101.00
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC2=CC=CC=C21	REAL300017058698	0	34	-2.0	-115.84	315.97	2.41	-113.43
COC(=O)C1=C(S(=O)(=O)[N-]CC(O)C(=O)[O-])SC=N1	REAL300017058724	0	27	-2.0	-115.75	284.41	-2.93	-118.68
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017058734	1	24	-2.0	-108.85	263.20	-1.24	-110.09
CC1=NC(S(=O)(=O)[N-]CC(O)C(=O)[O-])=C(Br)N1C	REAL300017058762	1	28	-2.0	-119.51	284.84	-1.21	-120.72
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CC(O)C(=O)[O-])S1	REAL300017058764	0	28	-2.0	-102.73	312.42	-0.32	-103.05
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC(O)C(=O)[O-])=C1F	REAL300017058786	1	29	-2.0	-117.92	293.18	-0.44	-118.36
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C(F)C(F)=C1F	REAL300017058789	0	28	-2.0	-89.17	283.87	0.12	-89.05
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(O)C(=O)[O-])=C(F)C(F)=C1F	REAL300017058789	1	27	-3.0	-165.20	288.84	0.02	-165.18
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1OC	REAL300017058790	0	39	-2.0	-98.39	354.47	0.88	-97.51
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058791	0	32	-2.0	-94.74	295.36	0.12	-94.62
O=C([O-])C1=CC=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1F	REAL300017058792	0	28	-2.0	-114.64	271.03	-0.00	-114.64
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017058803	0	30	-3.0	-172.79	303.33	0.85	-171.94
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058804	0	32	-2.0	-111.76	296.09	-0.72	-112.48
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058805	0	28	-3.0	-173.91	273.09	-1.10	-175.01
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058805	1	29	-2.0	-103.63	284.02	-1.98	-105.61
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCC(O)C(=O)[O-]	REAL300017058806	0	31	-2.0	-106.66	293.91	1.23	-105.43
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C(Cl)O1	REAL300017058807	0	25	-2.0	-90.84	266.41	-1.12	-91.96
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017058810	0	22	-2.0	-108.76	245.99	-2.00	-110.76
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC(O)C(=O)[O-]	REAL300017058820	1	29	-2.0	-114.85	280.65	0.00	-114.85
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300017058837	1	41	-2.0	-84.76	387.86	-0.89	-85.65
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC(O)C(=O)[O-])=C1	REAL300017058839	0	28	-2.0	-101.82	302.86	-1.28	-103.10
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC=C1OC(F)(F)F	REAL300017058843	0	32	-2.0	-105.89	318.72	0.83	-105.06
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017058846	1	28	-2.0	-119.23	273.66	-1.46	-120.69
O=C([O-])C(O)CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017058848	0	26	-2.0	-96.79	277.69	-0.62	-97.41
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NCC(O)C(=O)[O-])=C1F	REAL300017058893	0	28	-2.0	-115.03	275.59	0.04	-114.99
O=C([O-])C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=CC(F)=C1F	REAL300017058894	0	28	-2.0	-101.83	285.75	0.37	-101.46
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017058901	0	25	-2.0	-110.09	274.03	0.23	-109.86
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017058902	1	27	-2.0	-105.02	285.24	-1.38	-106.40
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC(O)C(=O)[O-]	REAL300017058906	1	29	-2.0	-119.47	296.08	0.33	-119.14
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017058909	1	25	-2.0	-106.15	271.76	-0.05	-106.20
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC(O)C(=O)[O-])=C1	REAL300017058920	1	31	-2.0	-93.41	300.99	-2.56	-95.97
CCOC(=O)C1=CC(S(=O)(=O)NCC(O)C(=O)[O-])=N[N-]1	REAL300017058920	1	31	-2.0	-93.34	301.04	-2.56	-95.90
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC(O)C(=O)[O-]	REAL300017058927	1	29	-2.0	-114.17	294.86	0.56	-113.61
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017058932	1	22	-2.0	-100.14	269.30	-0.57	-100.71
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300017058937	1	22	-2.0	-107.60	262.73	-0.62	-108.22
O=C([O-])C(O)CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017058969	0	35	-2.0	-101.46	320.37	2.17	-99.29
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017058973	1	32	-2.0	-111.51	312.17	0.40	-111.11
CCC1=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017058980	0	31	-2.0	-101.69	299.27	0.20	-101.49
CCN1C=C(S(=O)(=O)NC(C(C)C)C(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017058984	0	46	-2.0	-99.14	366.66	6.38	-92.76
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(C)C)C(C)(C)C(=O)[O-]	REAL300017058985	0	51	-2.0	-116.82	384.73	7.93	-108.89
CC(C)C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C(C)(C)C(=O)[O-]	REAL300017058986	0	52	-2.0	-118.65	390.65	8.37	-110.28
CC(C)C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C(C)(C)C(=O)[O-]	REAL300017058987	0	49	-2.0	-120.34	378.24	7.78	-112.56
CC(C)C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(C)(C)C(=O)[O-]	REAL300017058990	0	42	-2.0	-93.80	339.45	5.79	-88.01
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(C)(C)C(=O)[O-]	REAL300017058991	0	42	-2.0	-116.23	353.03	6.30	-109.93
CC(C)C(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(C)(C)C(=O)[O-]	REAL300017058992	0	42	-2.0	-97.31	339.87	5.96	-91.35
CC1=CC=C(S(=O)(=O)NC(C(C)C)C(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017058993	0	45	-2.0	-121.78	357.18	6.39	-115.39
CC(C)C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(C)(C)C(=O)[O-]	REAL300017058994	0	42	-2.0	-103.35	339.66	5.78	-97.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C(C)C)C(C)(C)C(=O)[O-])=C1C	REAL300017058995	0	48	-2.0	-117.18	363.68	7.04	-110.14
CC(C)C(NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(C)(C)C(=O)[O-]	REAL300017058996	0	42	-2.0	-101.11	351.98	5.58	-95.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(C)C)C(C)(C)C(=O)[O-]	REAL300017058997	0	45	-2.0	-115.10	349.76	6.62	-108.48
CC(C)C(NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(C)(C)C(=O)[O-]	REAL300017058998	0	39	-2.0	-94.39	330.59	4.72	-89.67
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(C)C)C(C)(C)C(=O)[O-]	REAL300017058999	0	48	-2.0	-102.70	367.42	7.32	-95.38
CC(C)C(NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C(C)(C)C(=O)[O-]	REAL300017059000	0	43	-2.0	-100.02	345.98	5.00	-95.02
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)C=C1Br	REAL300017085792	1	32	-2.0	-103.20	325.09	4.89	-98.31
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)=C1F	REAL300017085798	1	37	-2.0	-117.46	354.24	5.11	-112.35
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)O1	REAL300017085821	1	37	-2.0	-103.33	338.39	3.24	-100.09
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)=C1F	REAL300017085839	1	37	-2.0	-116.68	343.92	4.67	-112.01
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)O1	REAL300017085911	1	34	-2.0	-108.16	318.63	2.73	-105.43
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300017085913	0	33	-2.0	-132.01	303.56	5.92	-126.09
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300017085916	1	31	-2.0	-114.15	298.74	4.88	-109.27
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300017085924	0	33	-2.0	-106.11	327.75	6.60	-99.51
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)O1	REAL300017085937	1	37	-2.0	-108.53	340.50	3.65	-104.88
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300017085942	1	34	-2.0	-115.63	317.55	6.07	-109.56
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300017085943	1	33	-2.0	-115.81	320.58	6.11	-109.70
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300017085946	1	28	-2.0	-109.71	291.40	3.51	-106.20
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300017085951	1	30	-2.0	-104.34	308.71	3.24	-101.10
CCN1C=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300017085955	1	36	-2.0	-121.30	329.40	4.80	-116.50
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300017085956	1	33	-2.0	-125.03	312.47	5.32	-119.71
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300017085959	1	33	-2.0	-113.77	318.93	6.13	-107.64
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(F)=C1	REAL300017085961	1	39	-2.0	-97.02	351.40	0.75	-96.27
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300017085979	1	33	-2.0	-118.95	313.08	6.16	-112.79
COC1=CC(F)=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)C(F)=C1	REAL300017086097	1	35	-2.0	-111.05	318.92	3.45	-107.60
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C1	REAL300017086112	1	31	-2.0	-117.88	290.89	4.05	-113.83
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086129	0	37	-2.0	-98.15	332.08	5.60	-92.55
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C1	REAL300017086130	0	34	-2.0	-110.49	327.97	5.24	-105.25
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086131	0	41	-2.0	-98.02	368.17	3.34	-94.68
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086132	0	42	-2.0	-102.03	371.36	5.82	-96.21
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086133	0	41	-2.0	-105.16	353.91	5.39	-99.77
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1CC(=O)[O-]	REAL300017086134	0	41	-2.0	-105.17	362.18	4.88	-100.29
CC1=CC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017086135	0	40	-2.0	-101.47	342.79	6.08	-95.39
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086136	0	38	-2.0	-102.89	335.09	3.69	-99.20
COC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC(C(=O)[O-])=C1OC	REAL300017086137	0	42	-2.0	-108.09	370.33	4.55	-103.54
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C1	REAL300017086138	0	45	-2.0	-98.80	388.55	5.81	-92.99
CCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017086139	0	41	-2.0	-110.76	360.85	5.73	-105.03
O=C([O-])CC1CC(NS(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C1	REAL300017086140	0	31	-2.0	-96.31	322.35	4.52	-91.79
O=C([O-])CC1CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1	REAL300017086141	0	31	-2.0	-105.14	303.65	3.77	-101.37
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017086142	0	34	-2.0	-105.52	317.16	3.82	-101.70
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C1	REAL300017086143	0	40	-2.0	-118.07	354.18	4.51	-113.56
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1F	REAL300017086144	0	44	-2.0	-103.99	391.46	6.00	-97.99
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1Cl	REAL300017086145	0	38	-2.0	-101.32	358.82	5.58	-95.74
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1OCC(=O)[O-]	REAL300017086146	0	41	-2.0	-102.46	362.86	5.74	-96.72
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1OCCCC(=O)[O-]	REAL300017086147	0	47	-2.0	-101.42	405.31	6.67	-94.75
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017086148	0	34	-2.0	-100.34	339.69	5.59	-94.75
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C1	REAL300017086149	0	34	-2.0	-93.88	340.29	5.78	-88.10
O=C([O-])CC1CC(NS(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C1	REAL300017086150	0	31	-2.0	-94.73	322.55	4.28	-90.45
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1C(=O)[O-]	REAL300017086151	0	40	-2.0	-118.49	345.05	6.26	-112.23
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086152	0	37	-2.0	-102.91	326.31	5.65	-97.26
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300017086153	0	34	-2.0	-107.38	333.30	5.36	-102.02
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C1	REAL300017086154	0	34	-2.0	-106.93	318.42	4.81	-102.12
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300017086155	0	34	-2.0	-101.11	324.80	5.33	-95.78
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300017086156	0	34	-2.0	-106.66	316.24	4.79	-101.87
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086157	0	37	-2.0	-98.12	341.06	5.98	-92.14
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C1	REAL300017086158	0	34	-2.0	-103.18	332.71	5.27	-97.91
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017086159	0	34	-2.0	-100.41	330.37	5.18	-95.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1F	REAL300017086160	0	37	-2.0	-103.19	329.82	5.15	-98.04
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300017086184	1	34	-2.0	-110.74	310.71	4.26	-106.48
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C1	REAL300017086231	0	34	-2.0	-95.24	337.24	5.71	-89.53
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086232	0	38	-2.0	-102.44	339.89	4.52	-97.92
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)C1	REAL300017086233	0	35	-2.0	-106.36	320.51	2.80	-103.56
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086234	0	38	-2.0	-102.74	343.16	6.05	-96.69
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C1	REAL300017086235	0	34	-2.0	-102.28	328.85	5.49	-96.79
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086236	0	40	-2.0	-100.23	355.28	6.34	-93.89
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300017086237	0	34	-2.0	-102.37	317.58	4.80	-97.57
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086238	0	37	-2.0	-100.63	333.88	5.54	-95.09
COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017086239	0	38	-2.0	-119.82	339.00	4.82	-115.00
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086240	0	38	-2.0	-101.83	342.78	5.04	-96.79
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1F	REAL300017086241	0	38	-2.0	-103.05	349.02	5.10	-97.95
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300017086242	0	34	-2.0	-99.89	309.52	4.51	-95.38
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300017086243	0	34	-2.0	-102.95	324.21	5.15	-97.80
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086244	0	37	-2.0	-112.62	337.14	5.44	-107.18
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300017086245	0	42	-2.0	-100.52	375.45	6.16	-94.36
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300017086246	0	34	-2.0	-97.09	315.81	4.57	-92.52
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300017086246	1	33	-3.0	-171.73	319.31	4.61	-167.12
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC(C(=O)[O-])=C1C	REAL300017086247	0	40	-2.0	-114.21	344.90	5.81	-108.40
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300017086248	0	36	-2.0	-99.18	340.19	5.41	-93.77
COC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C(Cl)C=C1C(=O)[O-]	REAL300017086249	0	38	-2.0	-98.27	352.38	5.39	-92.88
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300017086250	0	34	-2.0	-102.11	327.95	5.25	-96.86
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC(C(=O)[O-])=C1F	REAL300017086251	0	37	-2.0	-115.70	336.84	5.39	-110.31
CC1=CC(F)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017086252	0	37	-2.0	-102.14	333.50	5.33	-96.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1Cl	REAL300017086253	0	37	-2.0	-98.26	343.43	5.90	-92.36
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC(C(=O)[O-])=C1Cl	REAL300017086254	0	37	-2.0	-112.39	343.22	5.71	-106.68
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086255	0	37	-2.0	-107.05	338.38	5.91	-101.14
COC1=CC(Cl)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017086256	0	38	-2.0	-108.48	352.36	5.40	-103.08
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C1	REAL300017086257	0	38	-2.0	-102.47	356.45	5.05	-97.42
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C1	REAL300017086258	0	36	-2.0	-92.16	329.74	6.22	-85.94
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300017086259	0	31	-2.0	-99.44	304.62	3.85	-95.59
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086260	0	37	-2.0	-101.21	333.89	5.53	-95.68
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C1	REAL300017086261	0	36	-2.0	-111.24	338.28	5.84	-105.40
CC1=CC(C)=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C)=C1CC(=O)[O-]	REAL300017086262	0	46	-2.0	-107.44	373.36	7.50	-99.94
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C1	REAL300017086263	0	36	-2.0	-125.18	334.08	6.56	-118.62
CC(C)(C)C1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017086264	0	43	-2.0	-116.29	359.65	6.44	-109.85
CC1=C(Cl)C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017086265	0	37	-2.0	-100.71	341.87	5.71	-95.00
CC1=C(F)C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017086266	0	37	-2.0	-100.43	333.17	5.31	-95.12
O=C([O-])CC1CC(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C1	REAL300017086267	0	40	-2.0	-110.50	352.74	6.88	-103.62
COC(=O)C1=COC(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)=C1	REAL300017086274	1	34	-2.0	-105.76	320.83	2.60	-103.16
COC(=O)C1=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)SC=N1	REAL300017086306	0	33	-2.0	-112.83	319.27	1.69	-111.14
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300017086316	1	31	-2.0	-115.50	295.16	4.74	-110.76
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300017086321	1	30	-2.0	-104.12	299.91	3.32	-100.80
CC1=NC(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)=C(Br)N1C	REAL300017086353	1	34	-2.0	-122.55	320.82	3.32	-119.23
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)=N1	REAL300017086374	0	33	-2.0	-121.13	309.31	2.78	-118.35
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)=C1F	REAL300017086379	1	35	-2.0	-114.46	329.87	4.10	-110.36
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C1	REAL300017086384	0	34	-2.0	-97.75	320.24	4.59	-93.16
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C1	REAL300017086384	1	33	-3.0	-167.70	323.71	4.63	-163.07
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1OC	REAL300017086386	0	45	-2.0	-100.42	389.95	5.31	-95.11
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086387	0	38	-2.0	-103.03	339.95	4.55	-98.48
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C1	REAL300017086388	0	34	-2.0	-109.91	307.71	4.48	-105.43
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C1	REAL300017086403	0	36	-3.0	-183.41	340.40	5.31	-178.10
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086404	0	38	-2.0	-102.63	341.05	3.81	-98.82
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300017086405	0	34	-3.0	-177.90	318.26	3.30	-174.60
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C1	REAL300017086405	1	35	-2.0	-101.91	321.07	2.51	-99.40
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300017086406	0	33	-2.0	-98.17	305.43	3.05	-95.12
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C(C(=O)[O-])=NN1	REAL300017086407	0	34	-2.0	-123.18	303.38	2.62	-120.56
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017086408	0	37	-2.0	-102.77	330.91	5.68	-97.09
O=C([O-])CC1CC(NS(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C1	REAL300017086409	0	31	-2.0	-102.09	312.18	3.71	-98.38
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300017086412	0	28	-2.0	-105.26	282.71	2.55	-102.71
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1CC(CC(=O)[O-])C1	REAL300017086424	1	35	-2.0	-114.73	319.07	4.60	-110.13
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)=C1	REAL300017086447	0	34	-2.0	-99.43	339.58	3.24	-96.19
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300017086450	0	38	-2.0	-111.65	355.49	5.30	-106.35
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300017086455	1	34	-2.0	-119.99	308.52	3.14	-116.85
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300017086457	0	32	-2.0	-91.16	313.99	3.87	-87.29
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)C1	REAL300017086517	0	34	-2.0	-113.68	320.22	4.79	-108.89
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C1	REAL300017086518	0	34	-2.0	-103.44	322.84	4.84	-98.60
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300017086527	0	31	-2.0	-106.17	310.74	4.77	-101.40
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300017086528	1	33	-2.0	-108.74	320.10	3.21	-105.53
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C1CC(CC(=O)[O-])C1	REAL300017086532	1	35	-2.0	-116.77	330.95	4.93	-111.84
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300017086535	1	31	-2.0	-109.03	306.63	4.54	-104.49
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017086548	1	37	-2.0	-98.65	339.44	1.86	-96.79
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=N[N-]1	REAL300017086548	1	37	-2.0	-98.65	339.49	1.86	-96.79
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C1CC(CC(=O)[O-])C1	REAL300017086559	1	35	-2.0	-114.53	333.28	5.18	-109.35
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300017086566	1	28	-2.0	-100.55	304.17	4.04	-96.51
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C1	REAL300017086625	0	41	-2.0	-112.76	357.44	6.63	-106.13
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C1	REAL300017086629	1	38	-2.0	-113.48	347.03	5.00	-108.48
CCC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017086637	0	37	-2.0	-105.01	336.61	4.63	-100.38
CCN1C=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017086643	0	44	-2.0	-115.17	388.05	4.67	-110.50
CC(C)COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C)C(=O)[O-]	REAL300017086644	0	49	-2.0	-115.34	409.05	6.41	-108.93
CC(C)COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C(=O)[O-]	REAL300017086645	0	50	-2.0	-114.87	410.06	6.97	-107.90
CC(C)COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C(=O)[O-]	REAL300017086646	0	47	-2.0	-115.08	399.26	6.28	-108.80
CC(C)COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(=O)[O-]	REAL300017086649	0	40	-2.0	-112.03	373.37	5.00	-107.03
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017086650	0	40	-2.0	-116.14	372.55	4.84	-111.30
CC(C)COC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017086651	0	40	-2.0	-119.54	360.03	4.45	-115.09
CC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017086652	0	43	-2.0	-119.96	376.04	4.98	-114.98
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(=O)[O-]	REAL300017086653	0	40	-2.0	-108.51	358.10	4.42	-104.09
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1C	REAL300017086654	0	46	-2.0	-113.89	390.04	5.84	-108.05
CC(C)COC[C@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(=O)[O-]	REAL300017086655	0	40	-2.0	-102.88	374.60	4.40	-98.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086656	0	43	-2.0	-110.62	369.32	5.20	-105.42
CC(C)COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(=O)[O-]	REAL300017086657	0	37	-2.0	-109.72	353.21	3.49	-106.23
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086658	0	46	-2.0	-111.68	388.73	6.17	-105.51
CC(C)COC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017086659	0	41	-2.0	-113.66	364.76	3.77	-109.89
CC1=C(C(=O)[O-])SC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C1	REAL300017086660	0	40	-2.0	-110.78	369.13	4.14	-106.64
CC1=C(C(=O)[O-])C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=C(C)O1	REAL300017086661	0	43	-2.0	-124.13	370.66	4.72	-119.41
CC(C)COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C(=O)[O-]	REAL300017086662	0	40	-2.0	-101.71	378.10	5.02	-96.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-]	REAL300017086663	0	43	-2.0	-116.43	366.96	5.16	-111.27
CCC1=CC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017086664	0	46	-2.0	-120.90	394.25	5.64	-115.26
CC1=CC(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])=CC=C1C(=O)[O-]	REAL300017086665	0	43	-2.0	-108.60	376.03	5.00	-103.60
CC(C)COC[C@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300017086673	1	43	-2.0	-135.27	369.18	3.18	-132.09
CC(C)COC[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300017086704	1	40	-2.0	-131.83	368.15	2.36	-129.47
CC(C)COC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017086706	1	39	-2.0	-124.47	371.03	5.75	-118.72
CC(C)COC[C@H]([N-]S(=O)(=O)C1=C(F)C=CS1)C(=O)[O-]	REAL300017086708	1	34	-2.0	-141.39	322.70	3.18	-138.21
CC(C)COC[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300017086733	1	37	-2.0	-133.52	342.50	4.31	-129.21
CC(C)COC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017086737	0	37	-2.0	-140.88	337.87	3.79	-137.09
CC(C)COC[C@H]([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300017086762	1	37	-2.0	-138.82	336.34	4.25	-134.57
CC(C)COC[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017086779	1	40	-2.0	-134.98	360.60	4.58	-130.40
CC(C)COC[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300017086780	1	40	-2.0	-142.04	375.73	6.19	-135.85
CC(C)COC[C@H]([N-]S(=O)(=O)C1=CNN=C1Cl)C(=O)[O-]	REAL300017086785	1	34	-2.0	-131.02	322.70	0.93	-130.09
CC(C)COC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300017086787	1	34	-2.0	-129.48	337.49	2.98	-126.50
CC1=CC(F)=C(S(=O)(=O)[N-][C@@H](COCC(C)C)C(=O)[O-])C(F)=C1	REAL300017086808	1	40	-2.0	-140.96	359.43	4.47	-136.49
CC(C)COC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017086814	1	37	-2.0	-138.04	344.84	4.75	-133.29
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])S1	REAL300017086819	1	40	-2.0	-109.78	373.22	0.27	-109.51
CC1=C(S(=O)(=O)N[C@@H](COCC(C)C)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017086822	0	40	-2.0	-110.07	366.62	4.40	-105.67
CC(C)COC[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017086840	1	34	-2.0	-121.57	352.20	3.65	-117.92
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](COCC(C)C)C(=O)[O-]	REAL300017086848	1	43	-2.0	-156.11	378.57	2.64	-153.47
CC(C)COC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017086873	1	39	-2.0	-140.86	358.85	6.05	-134.81
CC(C)COC[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300017086880	0	37	-2.0	-123.91	351.67	4.58	-119.33
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H](COCC(C)C)C(=O)[O-]	REAL300017086887	1	41	-2.0	-139.67	362.07	4.38	-135.29
CC1=C(S(=O)(=O)[N-][C@@H](COCC(C)C)C(=O)[O-])C(N)=NO1	REAL300017086906	1	38	-2.0	-122.04	329.04	1.54	-120.50
CC(C)COC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017086911	0	37	-2.0	-141.68	346.80	4.96	-136.72
CC(C)COC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017086920	1	37	-2.0	-122.28	359.52	4.89	-117.39
CC(C)COC[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017086926	0	37	-2.0	-127.91	350.44	3.92	-123.99
CC(C)COC[C@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017086966	1	37	-2.0	-128.72	342.60	4.30	-124.42
CC(C)COC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017086978	0	37	-2.0	-136.10	339.35	4.44	-131.66
CC(C)COC[C@H]([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300017086997	1	37	-2.0	-143.94	341.90	3.67	-140.27
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017101074	1	32	-2.0	-125.23	325.70	3.47	-121.76
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC)=C1F	REAL300017101080	1	37	-2.0	-139.18	354.90	3.70	-135.48
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC)O1	REAL300017101101	1	37	-2.0	-128.06	342.40	1.27	-126.79
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC)=C1F	REAL300017101119	1	37	-2.0	-137.20	342.76	3.30	-133.90
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC)O1	REAL300017101191	1	34	-2.0	-126.81	324.50	0.69	-126.12
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101193	0	33	-2.0	-150.12	305.78	4.21	-145.91
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017101196	1	31	-2.0	-136.83	299.41	3.40	-133.43
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101204	0	33	-2.0	-126.77	332.74	4.57	-122.20
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC)O1	REAL300017101217	1	37	-2.0	-129.91	341.15	2.24	-127.67
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017101222	1	34	-2.0	-132.09	322.91	3.99	-128.10
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101223	1	33	-2.0	-131.68	323.22	4.27	-127.41
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017101226	1	28	-2.0	-133.72	292.06	2.10	-131.62
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017101231	1	30	-2.0	-119.08	314.43	1.23	-117.85
CCN1C=C(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC)C([N+](=O)[O-])=N1	REAL300017101235	1	36	-2.0	-140.11	328.39	3.21	-136.90
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101236	1	33	-2.0	-145.06	313.14	3.77	-141.29
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101239	1	33	-2.0	-133.75	321.13	4.23	-129.52
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017101241	1	39	-2.0	-106.65	349.93	-1.26	-107.91
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101261	1	33	-2.0	-142.86	313.49	4.70	-138.16
CCCCCCN1C=C(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC)C(=O)NC1=O	REAL300017101282	1	49	-2.0	-139.70	415.99	3.14	-136.56
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017101288	1	28	-2.0	-129.87	284.13	1.25	-128.62
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017101290	1	28	-2.0	-121.72	312.27	2.16	-119.56
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017101304	0	32	-2.0	-132.56	309.05	3.17	-129.39
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017101321	1	30	-2.0	-120.28	305.18	1.70	-118.58
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017101346	1	31	-2.0	-123.64	313.10	3.68	-119.96
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC)C(F)=C1	REAL300017101374	1	35	-2.0	-140.05	317.75	2.08	-137.97
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017101386	1	30	-2.0	-122.77	303.09	1.69	-121.08
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017101390	1	31	-2.0	-137.97	296.48	2.03	-135.94
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C)C(=O)[O-]	REAL300017101407	0	37	-2.0	-103.39	330.50	3.64	-99.75
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101408	0	34	-2.0	-114.31	331.43	3.33	-110.98
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017101409	0	41	-2.0	-97.34	371.64	1.43	-95.91
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101410	0	42	-2.0	-101.37	358.61	3.92	-97.45
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101411	0	41	-2.0	-112.47	349.48	3.40	-109.07
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1CC(=O)[O-]	REAL300017101412	0	41	-2.0	-110.40	363.75	2.93	-107.47
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017101413	0	40	-2.0	-110.67	343.15	4.22	-106.45
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C)C(=O)[O-]	REAL300017101414	0	38	-2.0	-108.26	331.68	1.45	-106.81
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=CC(C(=O)[O-])=C1OC	REAL300017101415	0	42	-2.0	-115.94	373.24	2.67	-113.27
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C(=O)[O-]	REAL300017101416	0	41	-2.0	-125.66	364.33	3.81	-121.85
CO[C@H](C)[C@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101417	0	31	-2.0	-109.51	306.83	1.87	-107.64
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101418	0	34	-2.0	-109.74	317.66	1.94	-107.80
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101419	0	40	-2.0	-118.80	357.34	2.62	-116.18
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017101420	0	44	-2.0	-99.58	393.01	4.06	-95.52
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017101421	0	38	-2.0	-100.51	360.37	3.62	-96.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017101422	0	41	-2.0	-102.40	366.33	3.83	-98.57
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017101423	0	47	-2.0	-98.55	406.87	4.72	-93.83
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101424	0	34	-2.0	-104.31	342.61	3.71	-100.60
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017101425	0	34	-2.0	-101.23	343.03	3.88	-97.35
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017101426	0	40	-2.0	-118.94	341.62	4.01	-114.93
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)C(=O)[O-]	REAL300017101427	0	37	-2.0	-106.70	326.28	3.64	-103.06
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101428	0	34	-2.0	-111.63	336.47	3.45	-108.18
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101429	0	34	-2.0	-110.43	321.58	2.90	-107.53
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017101430	0	34	-2.0	-101.58	328.86	3.40	-98.18
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017101431	0	34	-2.0	-106.98	317.79	2.84	-104.14
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C(=O)[O-]	REAL300017101432	0	37	-2.0	-103.98	339.32	4.04	-99.94
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101433	0	34	-2.0	-106.28	335.88	3.38	-102.90
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101434	0	34	-2.0	-103.78	333.29	3.30	-100.48
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C(=O)[O-]	REAL300017101435	0	37	-2.0	-103.99	327.26	3.11	-100.88
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017101458	1	34	-2.0	-137.02	314.48	2.31	-134.71
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017101503	0	34	-2.0	-100.79	336.17	3.68	-97.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101504	0	38	-2.0	-105.96	325.13	2.92	-103.04
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101505	0	35	-2.0	-117.81	322.08	0.85	-116.96
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017101506	0	38	-2.0	-103.01	346.63	4.14	-98.87
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017101507	0	34	-2.0	-100.10	330.31	3.56	-96.54
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017101508	0	40	-2.0	-99.44	358.50	4.44	-95.00
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017101509	0	34	-2.0	-102.40	308.06	2.49	-99.91
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017101510	0	37	-2.0	-101.82	337.10	3.63	-98.19
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C(=O)[O-]	REAL300017101511	0	38	-2.0	-117.65	342.47	2.91	-114.74
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017101512	0	38	-2.0	-101.87	346.24	3.12	-98.75
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017101513	0	38	-2.0	-102.52	350.56	3.16	-99.36
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)[O-]	REAL300017101514	0	34	-2.0	-106.28	306.95	2.49	-103.79
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017101515	0	34	-2.0	-104.11	325.77	3.20	-100.91
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017101516	0	37	-2.0	-128.35	326.54	3.10	-125.25
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017101517	0	42	-2.0	-98.29	378.67	4.27	-94.02
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017101518	0	34	-2.0	-99.37	314.35	2.57	-96.80
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017101518	1	33	-3.0	-195.00	318.12	3.25	-191.75
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101519	0	40	-2.0	-115.79	352.01	4.01	-111.78
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017101520	0	36	-2.0	-101.62	343.36	3.52	-98.10
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C(Cl)C=C1C(=O)[O-]	REAL300017101521	0	38	-2.0	-99.94	352.03	3.33	-96.61
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017101522	0	34	-2.0	-103.52	329.50	3.30	-100.22
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101523	0	37	-2.0	-119.50	340.02	3.49	-116.01
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F)C(=O)[O-]	REAL300017101524	0	37	-2.0	-104.61	326.79	3.10	-101.51
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl)C(=O)[O-]	REAL300017101525	0	37	-2.0	-106.94	346.47	3.99	-102.95
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101526	0	37	-2.0	-116.92	346.41	3.80	-113.12
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017101527	0	37	-2.0	-108.84	339.45	3.94	-104.90
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C1C(=O)[O-]	REAL300017101528	0	38	-2.0	-115.92	352.05	3.34	-112.58
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101529	0	36	-2.0	-104.32	332.64	4.35	-99.97
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017101530	0	31	-2.0	-108.24	307.43	1.97	-106.27
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017101531	0	37	-2.0	-104.08	335.43	3.57	-100.51
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101532	0	36	-2.0	-119.60	339.84	3.90	-115.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C)C(=O)[O-]	REAL300017101533	0	46	-2.0	-122.94	373.66	5.46	-117.48
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101534	0	36	-2.0	-120.39	333.95	4.97	-115.42
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101535	0	43	-2.0	-122.80	359.56	4.91	-117.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101536	0	37	-2.0	-106.35	345.05	3.80	-102.55
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101537	0	37	-2.0	-105.20	334.43	3.37	-101.83
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101538	0	40	-2.0	-124.95	354.30	4.93	-120.02
COC(=O)C1=COC(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101545	1	34	-2.0	-128.75	324.84	0.64	-128.11
COC(=O)C1=C(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC)SC=N1	REAL300017101577	0	33	-2.0	-135.32	319.93	0.28	-135.04
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017101587	1	31	-2.0	-138.89	295.83	3.27	-135.62
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017101592	1	30	-2.0	-128.05	303.94	1.34	-126.71
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017101624	1	34	-2.0	-139.88	318.54	1.99	-137.89
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017101646	0	33	-2.0	-143.57	311.82	0.91	-142.66
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017101655	0	34	-2.0	-98.78	317.66	2.56	-96.22
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017101655	1	33	-3.0	-186.39	329.58	2.60	-183.79
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1OC	REAL300017101657	0	45	-2.0	-118.14	377.96	3.34	-114.80
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101658	0	38	-2.0	-106.73	327.21	2.63	-104.10
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017101659	0	34	-2.0	-127.32	305.08	2.43	-124.89
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101674	0	36	-3.0	-196.81	343.34	3.42	-193.39
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O)C(=O)[O-]	REAL300017101675	0	38	-2.0	-120.05	344.04	1.98	-118.07
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300017101676	0	34	-3.0	-200.86	308.05	2.17	-198.69
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(=O)[O-]	REAL300017101676	1	35	-2.0	-110.64	323.49	0.59	-110.05
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(=O)[O-]	REAL300017101677	0	33	-2.0	-100.32	304.90	1.56	-98.76
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(C)NN=C1C(=O)[O-])C(=O)[O-]	REAL300017101678	0	34	-2.0	-122.19	307.86	0.76	-121.43
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300017101679	0	37	-2.0	-108.09	327.43	3.43	-104.66
CO[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101680	0	31	-2.0	-102.71	298.98	1.32	-101.39
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017101683	0	28	-2.0	-129.44	289.06	0.48	-128.96
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC	REAL300017101693	1	35	-2.0	-138.74	316.22	3.16	-135.58
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017101721	1	34	-2.0	-144.90	309.19	1.72	-143.18
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300017101723	0	32	-2.0	-109.39	311.54	1.94	-107.45
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017101784	0	34	-2.0	-127.24	309.73	2.48	-124.76
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017101785	0	34	-2.0	-105.95	325.75	2.95	-103.00
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300017101794	0	31	-2.0	-134.84	309.55	3.41	-131.43
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017101795	1	33	-2.0	-126.92	325.97	1.18	-125.74
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017101801	1	31	-2.0	-128.95	305.44	3.17	-125.78
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=C1	REAL300017101814	1	37	-2.0	-113.88	334.84	0.29	-113.59
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)=N[N-]1	REAL300017101814	1	37	-2.0	-113.86	335.00	0.28	-113.58
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017101833	1	28	-2.0	-122.32	304.84	2.62	-119.70
CO[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C(=O)[O-]	REAL300017101893	0	41	-2.0	-122.46	357.35	4.67	-117.79
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017101897	1	38	-2.0	-136.20	347.69	3.59	-132.61
CCC1=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC)C=C(C(=O)[O-])O1	REAL300017101906	0	37	-2.0	-110.28	338.13	2.74	-107.54
CCN1C=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1C(=O)[O-]	REAL300017101913	0	42	-2.0	-115.13	369.15	7.94	-107.19
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)CCC2=C1	REAL300017101916	0	38	-2.0	-104.38	343.23	7.88	-96.50
O=C([O-])C1=CC=C2CN(S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)CCC2=C1	REAL300017101917	0	38	-2.0	-110.68	353.76	8.13	-102.55
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=C1	REAL300017101918	0	38	-2.0	-114.21	341.24	7.74	-106.47
CC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1C(=O)[O-]	REAL300017101919	0	41	-2.0	-113.63	357.25	8.27	-105.36
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300017101920	0	38	-2.0	-110.65	341.18	7.73	-102.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=C1C	REAL300017101921	0	44	-2.0	-110.12	365.42	8.67	-101.45
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)S1	REAL300017101922	0	38	-2.0	-103.87	355.81	7.68	-96.19
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300017101923	0	41	-2.0	-127.35	354.59	8.44	-118.91
O=C([O-])C1=CSC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=C1	REAL300017101924	0	35	-2.0	-109.23	334.43	6.75	-102.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300017101925	0	44	-2.0	-126.96	370.38	9.35	-117.61
CN1C=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1C(=O)[O-]	REAL300017101926	0	39	-2.0	-105.01	347.48	7.09	-97.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=C1	REAL300017101927	0	38	-2.0	-109.32	350.31	7.41	-101.91
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=C(C)O1	REAL300017101928	0	41	-2.0	-111.81	351.09	7.95	-103.86
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300017101929	0	41	-2.0	-102.37	348.81	8.28	-94.09
CCC1=CC=C(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1C(=O)[O-]	REAL300017101930	0	44	-2.0	-111.42	375.56	8.93	-102.49
CC1=CC(S(=O)(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)=CC=C1C(=O)[O-]	REAL300017101931	0	41	-2.0	-110.11	357.27	8.28	-101.83
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017130214	1	41	-2.0	-97.70	368.82	2.46	-95.24
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300017130381	0	39	-2.0	-99.91	334.18	6.60	-93.31
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017130382	0	36	-2.0	-99.42	340.74	6.72	-92.70
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017130383	0	43	-2.0	-103.65	381.02	4.83	-98.82
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300017130384	0	44	-2.0	-113.87	380.55	7.50	-106.37
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300017130385	0	43	-2.0	-128.36	371.39	6.98	-121.38
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300017130386	0	43	-2.0	-103.08	374.95	6.36	-96.72
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300017130387	0	42	-2.0	-102.97	353.97	7.61	-95.36
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300017130388	0	40	-2.0	-122.62	341.37	4.74	-117.88
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300017130389	0	44	-2.0	-106.57	382.80	6.05	-100.52
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017130390	0	47	-2.0	-94.41	401.31	7.29	-87.12
CCOC1=CC=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017130391	0	43	-2.0	-108.65	373.61	7.22	-101.43
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017130392	0	33	-2.0	-100.70	316.37	5.28	-95.42
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300017130393	0	36	-2.0	-102.13	323.10	5.25	-96.88
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017130394	0	42	-2.0	-113.54	364.10	5.87	-107.67
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017130395	0	46	-2.0	-100.19	404.22	7.48	-92.71
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017130396	0	40	-2.0	-98.72	371.58	7.06	-91.66
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300017130397	0	43	-2.0	-98.42	375.63	7.22	-91.20
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300017130398	0	49	-2.0	-99.50	418.08	8.15	-91.35
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017130399	0	36	-2.0	-95.76	349.61	6.94	-88.82
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017130400	0	36	-2.0	-95.21	342.79	6.86	-88.35
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300017130401	0	42	-2.0	-115.62	351.66	7.32	-108.30
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300017130402	0	39	-2.0	-109.76	341.72	7.13	-102.63
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017130403	0	36	-2.0	-103.27	343.23	6.71	-96.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017130404	0	36	-2.0	-102.42	328.34	6.16	-96.26
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017130405	0	36	-2.0	-93.38	329.56	6.48	-86.90
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017130406	0	36	-2.0	-98.99	328.99	6.28	-92.71
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300017130407	0	39	-2.0	-100.78	342.88	6.98	-93.80
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017130408	0	36	-2.0	-98.02	342.64	6.63	-91.39
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017130409	0	36	-2.0	-95.37	340.29	6.54	-88.83
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300017130410	0	39	-2.0	-100.84	342.45	6.63	-94.21
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017130482	0	36	-2.0	-94.55	342.07	6.88	-87.67
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300017130483	0	40	-2.0	-120.15	349.08	6.20	-113.95
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017130484	0	37	-2.0	-103.60	333.27	4.29	-99.31
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017130485	0	40	-2.0	-108.53	356.01	7.54	-100.99
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017130486	0	36	-2.0	-111.45	331.79	6.54	-104.91
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017130487	0	42	-2.0	-103.02	368.14	7.83	-95.19
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017130488	0	36	-2.0	-111.62	326.94	6.23	-105.39
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017130489	0	39	-2.0	-104.22	346.74	7.02	-97.20
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300017130490	0	40	-2.0	-114.87	351.76	6.31	-108.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017130491	0	40	-2.0	-105.28	355.64	6.53	-98.75
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017130492	0	40	-2.0	-100.45	361.78	6.58	-93.87
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017130493	0	36	-2.0	-96.09	326.91	6.24	-89.85
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017130494	0	36	-2.0	-96.16	336.96	6.63	-89.53
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300017130495	0	39	-2.0	-110.75	341.78	6.63	-104.12
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017130496	0	44	-2.0	-98.98	388.21	7.65	-91.33
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017130497	0	36	-2.0	-94.54	328.48	6.05	-88.49
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300017130498	0	42	-2.0	-104.94	358.74	7.26	-97.68
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017130499	0	38	-2.0	-98.13	350.13	6.76	-91.37
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300017130500	0	40	-2.0	-109.80	365.00	7.02	-102.78
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017130501	0	36	-2.0	-95.49	340.70	6.73	-88.76
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300017130502	0	39	-2.0	-111.09	346.77	6.75	-104.34
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300017130503	0	39	-2.0	-112.01	342.99	6.76	-105.25
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300017130504	0	39	-2.0	-98.98	353.92	7.49	-91.49
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300017130505	0	39	-2.0	-108.37	353.16	7.05	-101.32
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300017130506	0	39	-2.0	-96.66	344.95	7.13	-89.53
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300017130507	0	40	-2.0	-118.92	356.86	6.58	-112.34
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017130508	0	40	-2.0	-96.12	365.61	6.71	-89.41
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017130509	0	38	-2.0	-99.68	344.57	7.95	-91.73
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017130510	0	33	-2.0	-105.25	317.17	5.37	-99.88
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017130511	0	39	-2.0	-112.87	346.66	7.01	-105.86
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017130512	0	38	-2.0	-106.93	351.05	7.32	-99.61
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300017130513	0	48	-2.0	-112.01	379.81	8.72	-103.29
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017130514	0	38	-2.0	-119.73	348.66	8.11	-111.62
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017130515	0	45	-2.0	-121.64	377.83	8.29	-113.35
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300017130516	0	39	-2.0	-98.22	355.68	7.16	-91.06
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300017130517	0	39	-2.0	-97.30	346.87	6.77	-90.53
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017130518	0	42	-2.0	-109.51	365.43	8.36	-101.15
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017130636	0	36	-2.0	-93.75	337.64	6.31	-87.44
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC	REAL300017130638	0	47	-2.0	-106.43	396.76	6.71	-99.72
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300017130639	0	40	-2.0	-98.79	349.11	6.21	-92.58
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017130640	0	36	-2.0	-109.97	325.11	6.20	-103.77
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017130655	0	38	-3.0	-170.50	352.88	6.80	-163.70
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300017130656	0	40	-2.0	-110.15	343.19	5.35	-104.80
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017130657	0	36	-3.0	-191.53	327.08	5.00	-186.53
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017130657	1	37	-2.0	-117.34	328.65	4.26	-113.08
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017130658	0	35	-2.0	-99.65	318.15	4.23	-95.42
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(C)NN=C1C(=O)[O-]	REAL300017130659	0	36	-2.0	-108.01	310.81	3.87	-104.14
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300017130660	0	39	-2.0	-121.29	337.12	6.73	-114.56
CCN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017130661	0	33	-2.0	-95.48	320.78	5.10	-90.38
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017130701	0	40	-2.0	-106.23	368.25	6.79	-99.44
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017130708	0	34	-2.0	-96.42	326.74	5.26	-91.16
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017130767	0	36	-2.0	-111.57	329.63	6.23	-105.34
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017130768	0	36	-2.0	-97.75	332.75	6.19	-91.56
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CC)CCCC(=O)[O-])=C1	REAL300017130798	1	39	-2.0	-106.81	355.09	3.43	-103.38
CCOC(=O)C1=CC(S(=O)(=O)N(CC)CCCC(=O)[O-])=N[N-]1	REAL300017130798	1	39	-2.0	-106.81	355.19	3.42	-103.39
CCN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017130878	0	43	-2.0	-101.03	367.38	7.98	-93.05
CCC1=C(S(=O)(=O)N(CC)CCCC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017130891	0	39	-2.0	-101.64	339.19	5.83	-95.81
CCN1C=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017130897	0	40	-2.0	-102.42	358.90	7.25	-95.17
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C#CC(=O)[O-])C1	REAL300017130898	0	45	-2.0	-111.08	378.77	8.96	-102.12
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C1	REAL300017130899	0	46	-2.0	-102.42	378.56	9.20	-93.22
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C1	REAL300017130900	0	43	-2.0	-117.42	366.85	8.54	-108.88
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C1	REAL300017130903	0	36	-2.0	-108.79	334.86	7.17	-101.62
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017130904	0	36	-2.0	-99.38	343.38	7.42	-91.96
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300017130905	0	36	-2.0	-101.40	330.88	7.02	-94.38
CC1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017130906	0	39	-2.0	-115.37	346.87	7.57	-107.80
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300017130907	0	36	-2.0	-102.46	330.82	7.03	-95.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)=C1C	REAL300017130908	0	42	-2.0	-102.94	354.94	7.94	-95.00
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])S2)C1	REAL300017130909	0	36	-2.0	-99.14	345.45	6.97	-92.17
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C#CC(=O)[O-])C1	REAL300017130910	0	39	-2.0	-118.05	334.69	7.28	-110.77
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300017130911	0	33	-2.0	-108.65	324.08	6.05	-102.60
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C#CC(=O)[O-])C1	REAL300017130912	0	42	-2.0	-107.45	364.26	8.89	-98.56
CN1C=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017130913	0	37	-2.0	-101.91	337.51	6.38	-95.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)=C1	REAL300017130914	0	36	-2.0	-104.70	340.00	6.71	-97.99
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)=C(C)O1	REAL300017130915	0	39	-2.0	-102.89	342.27	7.34	-95.55
O=C([O-])C#CC1CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C1	REAL300017130916	0	36	-2.0	-97.35	339.36	7.19	-90.16
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCCC(C#CC(=O)[O-])C1	REAL300017130917	0	39	-2.0	-110.46	333.93	7.32	-103.14
CCC1=CC=C(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017130918	0	42	-2.0	-100.88	364.81	8.22	-92.66
CC1=CC(S(=O)(=O)N2CCCC(C#CC(=O)[O-])C2)=CC=C1C(=O)[O-]	REAL300017130919	0	39	-2.0	-102.16	346.88	7.56	-94.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145172	0	37	-2.0	-120.06	306.98	5.81	-114.25
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017145173	0	34	-2.0	-116.56	312.15	6.41	-110.15
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017145174	0	41	-2.0	-101.23	352.34	4.51	-96.72
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145175	0	42	-2.0	-116.58	351.95	6.53	-110.05
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145176	0	41	-2.0	-117.55	342.92	5.99	-111.56
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1CC(=O)[O-]	REAL300017145177	0	41	-2.0	-112.82	346.34	6.05	-106.77
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017145178	0	40	-2.0	-106.91	332.20	7.43	-99.48
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145179	0	38	-2.0	-107.36	324.54	4.93	-102.43
COC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017145180	0	42	-2.0	-120.17	354.09	5.74	-114.43
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017145181	0	45	-2.0	-101.66	372.81	7.01	-94.65
CCOC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017145182	0	41	-2.0	-112.70	345.03	6.90	-105.80
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017145183	0	31	-2.0	-115.99	298.59	4.86	-111.13
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017145184	0	31	-2.0	-104.43	288.24	5.03	-99.40
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017145185	0	34	-2.0	-104.33	306.36	5.20	-99.13
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017145186	0	40	-2.0	-111.79	338.01	5.70	-106.09
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017145187	0	44	-2.0	-106.91	375.67	7.17	-99.74
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017145188	0	38	-2.0	-103.71	343.03	6.73	-96.98
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017145189	0	41	-2.0	-103.93	347.07	6.92	-97.01
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017145190	0	47	-2.0	-105.39	389.52	7.85	-97.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017145191	0	34	-2.0	-109.93	323.54	6.78	-103.15
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017145192	0	34	-2.0	-112.03	316.05	6.08	-105.95
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017145193	0	31	-2.0	-100.86	308.59	5.75	-95.11
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017145194	0	40	-2.0	-122.24	334.38	7.49	-114.75
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145195	0	37	-2.0	-110.53	303.57	5.78	-104.75
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017145196	0	34	-2.0	-101.19	317.16	6.53	-94.66
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017145197	0	34	-2.0	-100.15	302.28	6.00	-94.15
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017145198	0	34	-2.0	-102.88	301.53	5.61	-97.27
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017145199	0	34	-2.0	-104.36	300.40	5.97	-98.39
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145200	0	37	-2.0	-121.52	315.72	6.21	-115.31
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017145201	0	34	-2.0	-111.60	316.57	6.46	-105.14
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017145202	0	34	-2.0	-108.65	314.22	6.37	-102.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1F	REAL300017145203	0	37	-2.0	-120.15	318.76	5.96	-114.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017145274	0	34	-2.0	-115.88	313.93	6.00	-109.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145275	0	38	-2.0	-128.35	320.61	5.23	-123.12
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017145276	0	35	-2.0	-121.31	304.73	3.98	-117.33
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017145277	0	38	-2.0	-104.19	327.28	7.21	-96.98
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017145278	0	34	-2.0	-120.05	303.63	5.67	-114.38
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017145279	0	40	-2.0	-104.36	339.65	7.54	-96.82
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017145280	0	34	-2.0	-118.38	298.47	5.32	-113.06
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017145281	0	37	-2.0	-107.60	318.25	6.73	-100.87
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017145282	0	38	-2.0	-112.25	323.17	6.00	-106.25
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017145283	0	38	-2.0	-103.98	330.45	6.30	-97.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017145284	0	38	-2.0	-105.31	333.22	6.27	-99.04
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017145285	0	34	-2.0	-102.26	298.44	5.34	-96.92
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017145286	0	34	-2.0	-101.54	308.32	6.31	-95.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145287	0	37	-2.0	-108.67	318.05	5.96	-102.71
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017145288	0	42	-2.0	-103.89	359.67	7.34	-96.55
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017145289	0	34	-2.0	-108.98	304.16	5.43	-103.55
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017145290	0	40	-2.0	-108.36	328.74	7.00	-101.36
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017145291	0	36	-2.0	-96.21	324.13	6.60	-89.61
COC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017145292	0	38	-2.0	-107.79	328.89	5.68	-102.11
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017145293	0	34	-2.0	-100.79	312.06	6.41	-94.38
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017145294	0	37	-2.0	-106.14	320.64	6.58	-99.56
CC1=CC(F)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017145295	0	37	-2.0	-120.27	317.93	5.96	-114.31
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1Cl	REAL300017145296	0	37	-2.0	-121.69	320.26	6.18	-115.51
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017145297	0	37	-2.0	-104.40	327.04	6.89	-97.51
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145298	0	37	-2.0	-101.19	314.83	6.15	-95.04
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017145299	0	38	-2.0	-126.36	328.72	5.68	-120.68
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017145300	0	38	-2.0	-103.44	336.36	5.70	-97.74
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017145301	0	36	-2.0	-109.05	319.69	7.58	-101.47
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017145302	0	31	-2.0	-105.92	289.74	5.13	-100.79
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017145303	0	37	-2.0	-119.84	318.00	6.69	-113.15
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017145304	0	36	-2.0	-122.27	322.41	7.02	-115.25
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017145305	0	46	-2.0	-105.59	352.96	8.03	-97.56
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017145306	0	36	-2.0	-109.14	308.45	6.99	-102.15
CC(C)(C)C1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017145307	0	43	-2.0	-119.98	345.82	7.32	-112.66
CC1=C(Cl)C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017145308	0	37	-2.0	-101.21	325.68	6.89	-94.32
CC1=C(F)C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017145309	0	37	-2.0	-100.24	316.98	6.50	-93.74
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017145310	0	40	-2.0	-112.26	336.79	8.05	-104.21
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017145427	0	34	-2.0	-108.45	309.15	5.41	-103.04
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1OC	REAL300017145429	0	45	-2.0	-115.94	375.03	6.77	-109.17
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145430	0	38	-2.0	-109.97	319.87	5.21	-104.76
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017145431	0	34	-2.0	-107.33	296.53	5.29	-102.04
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017145446	0	36	-3.0	-179.75	327.75	6.56	-173.19
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145447	0	38	-2.0	-107.45	318.64	4.73	-102.72
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017145448	0	34	-3.0	-207.46	298.49	4.01	-203.45
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017145448	1	35	-2.0	-124.56	299.27	3.39	-121.17
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017145449	0	33	-2.0	-111.00	292.13	4.76	-106.24
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C(=O)[O-])=NN1	REAL300017145450	0	34	-2.0	-145.94	278.12	3.05	-142.89
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017145451	0	37	-2.0	-105.37	320.30	6.91	-98.46
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017145452	0	31	-2.0	-112.36	292.29	4.21	-108.15
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017145493	0	38	-2.0	-103.56	339.67	6.48	-97.08
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017145500	0	32	-2.0	-103.02	302.87	4.45	-98.57
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017145560	0	34	-2.0	-106.09	301.24	5.33	-100.76
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017145561	0	34	-2.0	-110.52	306.68	6.02	-104.50
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017145591	1	37	-2.0	-106.67	326.05	3.14	-103.53
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=N[N-]1	REAL300017145591	1	37	-2.0	-106.71	326.15	3.14	-103.57
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017145668	0	41	-2.0	-115.69	341.34	7.83	-107.86
CCC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017145680	0	37	-2.0	-104.52	326.72	6.00	-98.52
CCN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017145685	0	38	-2.0	-128.94	319.46	5.51	-123.43
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145686	0	43	-2.0	-130.68	339.74	6.96	-123.72
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017145687	0	44	-2.0	-134.11	343.01	7.65	-126.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017145688	0	41	-2.0	-128.34	336.40	7.78	-120.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017145690	0	34	-2.0	-117.16	304.72	6.34	-110.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017145691	0	34	-2.0	-117.07	311.45	6.40	-110.67
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017145692	0	34	-2.0	-120.95	298.60	5.98	-114.97
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017145693	0	37	-2.0	-121.08	314.96	6.55	-114.53
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017145694	0	34	-2.0	-103.14	298.49	5.99	-97.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300017145695	0	40	-2.0	-129.17	323.07	7.04	-122.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017145696	0	34	-2.0	-105.94	311.79	5.93	-100.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145697	0	37	-2.0	-127.49	306.11	6.51	-120.98
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017145698	0	31	-2.0	-112.42	293.04	5.06	-107.36
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145699	0	40	-2.0	-130.94	321.41	6.68	-124.26
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017145700	0	35	-2.0	-104.33	298.08	4.52	-99.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017145701	0	34	-2.0	-101.80	308.87	5.73	-96.07
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(C)O1	REAL300017145702	0	37	-2.0	-113.43	304.09	6.08	-107.35
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017145703	0	34	-2.0	-114.81	309.28	6.37	-108.44
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017145704	0	37	-2.0	-102.88	301.54	6.42	-96.46
CCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017145705	0	40	-2.0	-121.87	333.26	7.20	-114.67
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1C(=O)[O-]	REAL300017145706	0	37	-2.0	-104.87	318.14	6.64	-98.23
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017145707	0	34	-2.0	-99.38	306.80	6.44	-92.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017145708	0	37	-2.0	-101.79	329.06	6.81	-94.98
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300017145860	1	34	-2.0	-107.96	304.01	1.14	-106.82
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017145862	0	34	-2.0	-122.04	301.93	5.73	-116.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017146251	1	39	-2.0	-104.28	344.03	2.26	-102.02
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146419	0	37	-2.0	-120.16	307.61	5.85	-114.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017146420	0	34	-2.0	-116.38	315.19	6.50	-109.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017146421	0	41	-2.0	-99.80	355.00	4.57	-95.23
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146422	0	42	-2.0	-120.71	355.62	7.24	-113.47
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146423	0	41	-2.0	-124.03	346.47	6.70	-117.33
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1CC(=O)[O-]	REAL300017146424	0	41	-2.0	-121.44	349.02	6.11	-115.33
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017146425	0	40	-2.0	-130.53	317.45	6.33	-124.20
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146426	0	38	-2.0	-128.01	314.95	4.56	-123.45
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017146427	0	42	-2.0	-106.68	354.15	5.75	-100.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017146428	0	45	-2.0	-100.53	375.88	7.09	-93.44
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017146429	0	41	-2.0	-127.37	348.06	6.98	-120.39
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017146430	0	31	-2.0	-111.80	302.16	5.60	-106.20
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017146431	0	31	-2.0	-102.20	282.75	4.39	-97.81
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017146432	0	34	-2.0	-115.94	299.62	5.12	-110.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017146433	0	40	-2.0	-111.80	338.08	5.70	-106.10
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017146434	0	44	-2.0	-104.34	378.69	7.25	-97.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017146435	0	38	-2.0	-101.91	346.05	6.82	-95.09
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017146436	0	41	-2.0	-103.78	350.11	7.00	-96.78
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017146437	0	47	-2.0	-105.84	392.56	7.93	-97.91
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017146438	0	34	-2.0	-98.63	323.61	6.77	-91.86
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017146439	0	34	-2.0	-109.59	320.03	6.78	-102.81
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017146440	0	31	-2.0	-106.09	303.07	5.27	-100.82
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017146441	0	40	-2.0	-107.04	324.64	7.12	-99.92
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146442	0	37	-2.0	-106.04	306.24	6.51	-99.53
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017146443	0	34	-2.0	-101.50	320.25	6.61	-94.89
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017146444	0	34	-2.0	-100.46	305.37	6.06	-94.40
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017146445	0	34	-2.0	-99.31	304.75	6.34	-92.97
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017146446	0	34	-2.0	-102.14	303.44	6.04	-96.10
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146447	0	37	-2.0	-121.70	316.37	6.25	-115.45
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017146448	0	34	-2.0	-100.07	316.63	6.45	-93.62
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017146449	0	34	-2.0	-97.80	314.28	6.37	-91.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1F	REAL300017146450	0	37	-2.0	-116.30	322.48	6.65	-109.65
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017146521	0	34	-2.0	-112.95	317.31	6.71	-106.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146522	0	38	-2.0	-126.79	324.15	5.96	-120.83
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017146523	0	35	-2.0	-121.14	307.73	4.06	-117.08
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017146524	0	38	-2.0	-104.76	329.99	7.28	-97.48
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017146525	0	34	-2.0	-117.08	306.78	6.40	-110.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017146526	0	40	-2.0	-104.87	342.68	7.60	-97.27
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017146527	0	34	-2.0	-115.79	302.33	6.03	-109.76
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017146528	0	37	-2.0	-107.95	321.29	6.79	-101.16
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017146529	0	38	-2.0	-126.85	326.21	6.08	-120.77
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017146530	0	38	-2.0	-103.88	330.17	6.29	-97.59
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017146531	0	38	-2.0	-102.88	336.24	6.35	-96.53
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017146532	0	34	-2.0	-99.19	302.14	6.03	-93.16
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017146533	0	34	-2.0	-100.18	311.41	6.40	-93.78
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146534	0	37	-2.0	-107.85	321.66	6.64	-101.21
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017146535	0	42	-2.0	-103.31	362.81	7.42	-95.89
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017146536	0	34	-2.0	-105.78	308.10	6.07	-99.71
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017146537	0	40	-2.0	-110.13	335.72	7.18	-102.95
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017146538	0	36	-2.0	-96.46	327.15	6.67	-89.79
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017146539	0	38	-2.0	-103.04	332.03	6.40	-96.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017146540	0	34	-2.0	-99.53	315.14	6.50	-93.03
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017146541	0	37	-2.0	-106.16	320.77	6.58	-99.58
CC1=CC(F)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017146542	0	37	-2.0	-115.62	317.59	6.57	-109.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1Cl	REAL300017146543	0	37	-2.0	-118.28	323.55	6.90	-111.38
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017146544	0	37	-2.0	-104.40	327.17	6.89	-97.51
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146545	0	37	-2.0	-98.21	317.74	6.89	-91.32
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017146546	0	38	-2.0	-123.03	332.00	6.41	-116.62
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017146547	0	38	-2.0	-99.34	340.81	6.45	-92.89
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017146548	0	36	-2.0	-102.27	311.75	6.94	-95.33
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017146549	0	31	-2.0	-101.31	289.31	5.11	-96.20
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017146550	0	37	-2.0	-111.45	320.80	6.76	-104.69
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017146551	0	36	-2.0	-122.11	325.12	7.08	-115.03
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017146552	0	46	-2.0	-106.65	355.40	8.60	-98.05
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017146553	0	36	-2.0	-107.67	312.25	7.63	-100.04
CC(C)(C)C1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017146554	0	43	-2.0	-121.98	345.21	7.25	-114.73
CC1=C(Cl)C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017146555	0	37	-2.0	-102.54	332.81	7.07	-95.47
CC1=C(F)C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017146556	0	37	-2.0	-101.42	324.08	6.67	-94.75
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017146557	0	40	-2.0	-112.91	339.56	8.14	-104.77
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017146674	0	34	-2.0	-104.10	312.83	6.09	-98.01
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1OC	REAL300017146676	0	45	-2.0	-117.08	374.36	6.75	-110.33
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146677	0	38	-2.0	-105.76	324.29	5.94	-99.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017146678	0	34	-2.0	-107.92	300.22	5.97	-101.95
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017146693	0	36	-3.0	-180.70	324.22	6.48	-174.22
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146694	0	38	-2.0	-107.85	323.21	5.28	-102.57
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017146695	0	34	-3.0	-192.00	302.57	4.77	-187.23
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017146695	1	35	-2.0	-120.54	306.07	3.92	-116.62
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017146696	0	33	-2.0	-114.25	298.58	4.23	-110.02
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C(=O)[O-])=NN1	REAL300017146697	0	34	-2.0	-118.31	284.47	3.54	-114.77
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017146698	0	37	-2.0	-126.07	310.73	6.54	-119.53
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017146699	0	31	-2.0	-105.02	296.38	4.93	-100.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017146740	0	38	-2.0	-116.43	342.70	6.56	-109.87
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017146747	0	32	-2.0	-103.50	306.95	5.21	-98.29
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017146807	0	34	-2.0	-106.42	304.47	5.99	-100.43
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017146808	0	34	-2.0	-99.40	306.75	6.02	-93.38
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300017146838	1	37	-2.0	-106.53	329.80	3.20	-103.33
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=N[N-]1	REAL300017146838	1	37	-2.0	-106.68	329.90	3.20	-103.48
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017146915	0	41	-2.0	-103.38	343.40	7.87	-95.51
CCC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017146927	0	37	-2.0	-123.36	313.65	5.01	-118.35
CCN1C=C(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017146932	0	39	-2.0	-106.86	342.69	3.83	-103.03
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)C1	REAL300017146933	0	44	-2.0	-127.47	361.93	5.35	-122.12
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C1	REAL300017146934	0	45	-2.0	-108.33	372.93	7.07	-101.26
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C1	REAL300017146935	0	42	-2.0	-127.90	354.47	6.25	-121.65
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C1	REAL300017146937	0	35	-2.0	-115.98	323.56	4.85	-111.13
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017146938	0	35	-2.0	-100.46	322.99	3.97	-96.49
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300017146939	0	35	-2.0	-104.18	314.17	3.68	-100.50
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C1	REAL300017146940	0	38	-2.0	-131.03	326.50	4.11	-126.92
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300017146941	0	35	-2.0	-102.39	317.10	4.52	-97.87
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C1	REAL300017146942	0	41	-2.0	-127.40	341.37	5.58	-121.82
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(CC(=O)[O-])S2)C1	REAL300017146943	0	35	-2.0	-104.96	331.65	4.48	-100.48
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C1	REAL300017146944	0	38	-2.0	-126.03	324.63	5.03	-121.00
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300017146945	0	32	-2.0	-112.01	310.27	3.56	-108.45
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](OC)C[C@H]1C(=O)[O-]	REAL300017146946	0	41	-2.0	-106.58	349.25	6.15	-100.43
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C1	REAL300017146947	0	36	-2.0	-127.00	317.67	2.94	-124.06
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)C1	REAL300017146948	0	35	-2.0	-100.71	326.23	4.21	-96.50
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])C1	REAL300017146949	0	38	-2.0	-144.06	323.42	4.00	-140.06
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C1	REAL300017146950	0	35	-2.0	-113.60	328.12	4.87	-108.73
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C1	REAL300017146951	0	38	-2.0	-102.30	320.05	4.89	-97.41
CCC1=CC=C(S(=O)(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017146952	0	41	-2.0	-131.51	344.73	4.76	-126.75
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C1	REAL300017146953	0	38	-2.0	-111.07	333.99	4.32	-106.75
CO[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C1	REAL300017146954	0	38	-2.0	-103.04	344.31	4.50	-98.54
C[C@@H]1CN(S(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)C[C@H]1C(=O)[O-]	REAL300017157987	1	39	-2.0	-91.37	350.04	1.40	-89.97
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C(F)=C1	REAL300017179818	1	39	-2.0	-97.39	346.05	1.80	-95.59
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179986	0	37	-2.0	-111.56	317.21	6.25	-105.31
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017179987	0	34	-2.0	-113.25	318.59	6.06	-107.19
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1	REAL300017179988	0	41	-2.0	-93.95	358.75	4.16	-89.79
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179989	0	42	-2.0	-112.53	358.19	6.78	-105.75
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179990	0	41	-2.0	-112.25	349.09	6.23	-106.02
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1CC(=O)[O-]	REAL300017179991	0	41	-2.0	-102.62	352.14	5.44	-97.18
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017179992	0	40	-2.0	-121.55	328.56	6.73	-114.82
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179993	0	38	-2.0	-121.06	320.51	4.23	-116.83
COC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017179994	0	42	-2.0	-99.51	360.64	5.38	-94.13
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017179995	0	45	-2.0	-95.81	379.00	6.63	-89.18
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017179996	0	41	-2.0	-124.06	351.48	6.53	-117.53
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017179997	0	31	-2.0	-105.90	305.52	5.19	-100.71
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017179998	0	31	-2.0	-118.09	293.70	4.38	-113.71
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017179999	0	34	-2.0	-111.15	300.96	4.62	-106.53
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017180000	0	40	-2.0	-104.19	344.48	5.34	-98.85
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)C1	REAL300017190916	1	39	-2.0	-98.52	348.79	1.32	-97.20
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191084	0	37	-2.0	-93.46	317.91	5.66	-87.80
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C1	REAL300017191085	0	34	-2.0	-104.90	323.31	5.65	-99.25
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300017191086	0	41	-2.0	-96.62	361.19	3.67	-92.95
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191087	0	42	-2.0	-104.54	362.04	6.36	-98.18
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191088	0	41	-2.0	-103.43	352.88	5.82	-97.61
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1CC(=O)[O-]	REAL300017191089	0	41	-2.0	-104.04	357.01	5.30	-98.74
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017191090	0	40	-2.0	-111.39	328.25	6.15	-105.24
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191091	0	38	-2.0	-109.87	322.84	3.71	-106.16
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC(C(=O)[O-])=C1OC	REAL300017191092	0	42	-2.0	-118.03	363.06	4.89	-113.14
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C1	REAL300017191093	0	45	-2.0	-91.37	384.37	6.19	-85.18
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017191094	0	41	-2.0	-104.61	355.69	6.15	-98.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C1	REAL300017191095	0	31	-2.0	-97.98	310.26	4.74	-93.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1	REAL300017191096	0	31	-2.0	-97.01	298.20	4.21	-92.80
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017191097	0	34	-2.0	-102.30	304.53	4.14	-98.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C1	REAL300017191098	0	40	-2.0	-112.34	347.38	4.91	-107.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C1	REAL300017191099	0	44	-2.0	-96.23	386.29	6.42	-89.81
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300017191100	0	38	-2.0	-94.71	353.65	6.00	-88.71
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1OCC(=O)[O-]	REAL300017191101	0	41	-2.0	-96.19	357.70	6.16	-90.03
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1OCCCC(=O)[O-]	REAL300017191102	0	47	-2.0	-96.26	400.14	7.09	-89.17
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017191103	0	34	-2.0	-94.65	332.41	5.93	-88.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C1	REAL300017191104	0	34	-2.0	-90.94	326.80	5.90	-85.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C1	REAL300017191105	0	31	-2.0	-89.85	314.88	5.01	-84.84
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1C(=O)[O-]	REAL300017191106	0	40	-2.0	-112.04	335.46	6.24	-105.80
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191107	0	37	-2.0	-95.26	314.65	5.68	-89.58
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300017191108	0	34	-2.0	-108.66	326.03	5.69	-102.97
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C1	REAL300017191109	0	34	-2.0	-107.69	311.14	5.15	-102.54
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300017191110	0	34	-2.0	-93.68	311.69	5.44	-88.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300017191111	0	34	-2.0	-97.14	311.07	5.21	-91.93
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191112	0	37	-2.0	-94.34	326.67	6.04	-88.30
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C1	REAL300017191113	0	34	-2.0	-96.80	325.44	5.61	-91.19
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017191114	0	34	-2.0	-94.42	323.09	5.52	-88.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1F	REAL300017191115	0	37	-2.0	-96.35	327.23	5.72	-90.63
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C1	REAL300017191186	0	34	-2.0	-97.61	325.74	5.87	-91.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191187	0	38	-2.0	-108.11	330.55	5.05	-103.06
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)C1	REAL300017191188	0	35	-2.0	-110.87	315.35	3.22	-107.65
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300017191189	0	38	-2.0	-101.39	336.19	6.37	-95.02
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C1	REAL300017191190	0	34	-2.0	-93.82	314.74	5.56	-88.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300017191191	0	40	-2.0	-97.55	348.30	6.67	-90.88
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300017191192	0	34	-2.0	-103.55	306.89	5.04	-98.51
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300017191193	0	37	-2.0	-98.74	326.90	5.86	-92.88
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017191194	0	38	-2.0	-115.62	333.83	5.24	-110.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300017191195	0	38	-2.0	-99.00	335.81	5.36	-93.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C1	REAL300017191196	0	38	-2.0	-96.20	343.84	5.52	-90.68
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300017191197	0	34	-2.0	-95.12	306.92	5.09	-90.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300017191198	0	34	-2.0	-94.27	319.04	5.57	-88.70
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191199	0	37	-2.0	-113.04	326.47	5.70	-107.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C1	REAL300017191200	0	42	-2.0	-98.50	368.47	6.49	-92.01
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300017191201	0	34	-2.0	-90.72	313.17	5.13	-85.59
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC(C(=O)[O-])=C1C	REAL300017191202	0	40	-2.0	-117.37	338.22	6.17	-111.20
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300017191203	0	36	-2.0	-102.88	332.92	5.75	-97.13
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(Cl)C=C1C(=O)[O-]	REAL300017191204	0	38	-2.0	-98.09	340.40	5.55	-92.54
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300017191205	0	34	-2.0	-93.65	322.78	5.67	-87.98
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC(C(=O)[O-])=C1F	REAL300017191206	0	37	-2.0	-101.76	329.57	5.73	-96.03
CC1=CC(F)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017191207	0	37	-2.0	-100.11	324.43	5.64	-94.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Cl	REAL300017191208	0	37	-2.0	-96.14	330.42	6.02	-90.12
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC(C(=O)[O-])=C1Cl	REAL300017191209	0	37	-2.0	-99.29	335.97	6.04	-93.25
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191210	0	37	-2.0	-108.11	323.51	5.98	-102.13
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017191211	0	38	-2.0	-106.41	340.41	5.56	-100.85
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C1	REAL300017191212	0	38	-2.0	-94.89	345.55	5.51	-89.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C1	REAL300017191213	0	36	-2.0	-94.62	325.70	7.06	-87.56
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300017191214	0	31	-2.0	-92.67	299.33	4.29	-88.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300017191215	0	37	-2.0	-103.36	328.72	5.95	-97.41
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C1	REAL300017191216	0	36	-2.0	-114.83	333.11	6.26	-108.57
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1CC(=O)[O-]	REAL300017191217	0	46	-2.0	-105.88	365.90	7.74	-98.14
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C1	REAL300017191218	0	36	-2.0	-103.13	330.73	7.08	-96.05
CC(C)(C)C1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017191219	0	43	-2.0	-108.92	359.81	7.35	-101.57
CC1=C(Cl)C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017191220	0	37	-2.0	-101.61	335.07	6.09	-95.52
CC1=C(F)C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017191221	0	37	-2.0	-100.52	326.38	5.70	-94.82
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C1	REAL300017191222	0	40	-2.0	-124.76	346.75	7.24	-117.52
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C1	REAL300017191339	0	34	-2.0	-90.40	317.61	5.16	-85.24
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1OC	REAL300017191341	0	45	-2.0	-104.53	378.10	5.74	-98.79
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191342	0	38	-2.0	-96.44	329.05	5.01	-91.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C1	REAL300017191343	0	34	-2.0	-102.71	306.65	5.07	-97.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C1	REAL300017191358	0	36	-3.0	-169.45	335.45	5.73	-163.72
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191359	0	38	-2.0	-98.33	332.27	4.20	-94.13
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300017191360	0	34	-3.0	-181.18	307.04	3.79	-177.39
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C1	REAL300017191360	1	35	-2.0	-97.46	314.48	2.90	-94.56
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300017191361	0	33	-2.0	-97.60	304.51	3.23	-94.37
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C(=O)[O-])=NN1	REAL300017191362	0	34	-2.0	-106.78	297.96	2.92	-103.86
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017191363	0	37	-2.0	-96.66	321.18	5.66	-91.00
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C1	REAL300017191364	0	31	-2.0	-93.53	302.12	3.96	-89.57
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300017191405	0	38	-2.0	-106.73	350.33	5.72	-101.01
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300017191412	0	32	-2.0	-99.21	311.36	4.25	-94.96
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)C1	REAL300017191472	0	34	-2.0	-106.47	309.59	5.04	-101.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C1	REAL300017191473	0	34	-2.0	-96.81	315.55	5.17	-91.64
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017191503	1	37	-2.0	-94.90	333.43	2.25	-92.65
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=N[N-]1	REAL300017191503	1	37	-2.0	-94.78	333.53	2.25	-92.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C1	REAL300017191580	0	41	-2.0	-103.46	350.18	6.97	-96.49
CCC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017191592	0	37	-2.0	-102.58	325.88	4.82	-97.76
CCN1C=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1C(=O)[O-]	REAL300017191598	0	39	-2.0	-101.33	349.53	4.87	-96.46
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191599	0	44	-2.0	-100.27	367.44	6.21	-94.06
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC4=C3CCC4)CCN2N=C1	REAL300017191600	0	42	-2.0	-121.85	356.84	6.25	-115.60
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3Cl)CCN2N=C1	REAL300017191603	0	35	-2.0	-109.32	326.98	4.86	-104.46
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(Cl)C(C(=O)[O-])=C3)CCN2N=C1	REAL300017191604	0	35	-2.0	-118.12	334.13	5.04	-113.08
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3)CCN2N=C1	REAL300017191605	0	35	-2.0	-100.04	321.62	4.64	-95.40
CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1C(=O)[O-]	REAL300017191606	0	38	-2.0	-99.73	337.65	5.18	-94.55
O=C([O-])C1=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CCN2N=C1	REAL300017191607	0	35	-2.0	-106.21	322.09	4.66	-101.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1C	REAL300017191608	0	41	-2.0	-122.34	346.18	5.59	-116.75
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)S1	REAL300017191609	0	35	-2.0	-99.43	336.18	4.60	-94.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191610	0	38	-2.0	-120.84	328.86	5.05	-115.79
O=C([O-])C1=CSC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191611	0	32	-2.0	-112.06	314.79	3.68	-108.38
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191612	0	41	-2.0	-108.85	354.97	6.53	-102.32
CN1C=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1C(=O)[O-]	REAL300017191613	0	36	-2.0	-100.92	328.23	4.02	-96.90
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C1	REAL300017191614	0	35	-2.0	-98.52	330.78	4.34	-94.18
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=C(C)O1	REAL300017191615	0	38	-2.0	-134.32	333.54	4.93	-129.39
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCN2N=CC(C(=O)[O-])=C2C1	REAL300017191616	0	38	-2.0	-100.15	324.58	4.96	-95.19
CCC1=CC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C1C(=O)[O-]	REAL300017191617	0	41	-2.0	-121.34	355.93	5.83	-115.51
CC1=CC(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)=CC=C1C(=O)[O-]	REAL300017191618	0	38	-2.0	-101.54	337.65	5.19	-96.35
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)S1	REAL300017191766	1	35	-2.0	-98.74	334.79	0.46	-98.28
CC1=C(S(=O)(=O)N2CCN3N=CC(C(=O)[O-])=C3C2)C=C(C(=O)[O-])S1	REAL300017191769	0	35	-2.0	-117.05	322.67	4.22	-112.83
COC[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017195101	1	29	-2.0	-123.31	305.11	2.67	-120.64
COC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017195105	1	34	-2.0	-138.50	336.10	2.83	-135.67
COC[C@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300017195121	1	32	-2.0	-127.52	317.21	-0.88	-128.40
COC[C@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017195128	1	34	-2.0	-124.21	323.49	0.41	-123.80
COC[C@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017195145	1	34	-2.0	-137.68	325.78	2.39	-135.29
COC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300017195191	1	28	-2.0	-118.34	299.63	2.56	-115.78
COC[C@H]([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017195221	1	31	-2.0	-123.06	305.59	-0.16	-123.22
COC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195222	0	30	-2.0	-148.54	282.42	3.15	-145.39
COC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017195225	1	28	-2.0	-140.96	280.60	2.58	-138.38
COC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195233	0	30	-2.0	-131.30	311.37	4.34	-126.96
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](COC)C(=O)[O-])O1	REAL300017195246	1	34	-2.0	-123.42	327.46	0.76	-122.66
COC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017195250	1	31	-2.0	-137.16	296.72	3.63	-133.53
COC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195251	1	30	-2.0	-133.98	303.35	3.88	-130.10
COC[C@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017195254	1	25	-2.0	-133.06	273.27	1.24	-131.82
COC[C@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017195259	1	27	-2.0	-118.40	295.66	0.37	-118.03
CCN1C=C(S(=O)(=O)[N-][C@@H](COC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017195263	1	33	-2.0	-138.53	307.87	2.36	-136.17
COC[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195264	1	30	-2.0	-136.92	299.04	2.44	-134.48
COC[C@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195267	1	30	-2.0	-139.41	300.80	3.84	-135.57
COC[C@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017195269	1	36	-2.0	-106.61	331.31	-2.12	-108.73
COC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195288	1	30	-2.0	-144.34	290.50	3.66	-140.68
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H](COC)C(=O)[O-])C(=O)NC1=O	REAL300017195310	1	46	-2.0	-134.99	402.27	1.80	-133.19
COC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017195316	1	25	-2.0	-129.03	265.34	0.39	-128.64
COC[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017195318	1	25	-2.0	-124.07	288.45	1.90	-122.17
COC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017195333	0	29	-2.0	-131.72	290.27	2.31	-129.41
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300017195349	0	43	-2.0	-122.06	386.75	-1.45	-123.51
COC[C@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017195351	1	27	-2.0	-119.83	286.42	0.83	-119.00
COC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300017195375	1	28	-2.0	-121.79	307.68	2.18	-119.61
COC[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017195378	1	28	-2.0	-123.34	294.32	2.80	-120.54
COC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017195409	1	32	-2.0	-138.09	297.12	1.26	-136.83
COC[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017195420	1	27	-2.0	-119.03	291.19	0.20	-118.83
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C)C(=O)[O-]	REAL300017195441	0	34	-2.0	-103.85	310.89	2.76	-101.09
COC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195442	0	31	-2.0	-112.99	312.57	2.49	-110.50
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017195443	0	38	-2.0	-96.99	353.04	0.56	-96.43
COC[C@H](NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017195444	0	39	-2.0	-100.86	338.00	3.35	-97.51
COC[C@H](NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017195445	0	38	-2.0	-112.53	330.92	2.55	-109.98
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017195446	0	38	-2.0	-112.20	347.03	2.10	-110.10
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017195447	0	37	-2.0	-110.81	324.37	3.35	-107.46
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C)C(=O)[O-]	REAL300017195448	0	35	-2.0	-112.81	317.96	0.87	-111.94
COC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195449	0	39	-2.0	-116.06	354.89	1.79	-114.27
COC[C@H](NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)[O-]	REAL300017195450	0	42	-2.0	-95.39	371.49	3.02	-92.37
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C1C(=O)[O-]	REAL300017195451	0	38	-2.0	-123.20	343.80	2.94	-120.26
COC[C@H](NS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195452	0	28	-2.0	-105.56	307.11	1.75	-103.81
COC[C@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195453	0	28	-2.0	-112.81	286.30	0.99	-111.82
COC[C@H](NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195454	0	31	-2.0	-105.28	299.71	1.09	-104.19
COC[C@H](NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195455	0	37	-2.0	-118.99	338.73	1.76	-117.23
COC[C@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017195456	0	41	-2.0	-101.37	376.31	3.23	-98.14
COC[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017195457	0	35	-2.0	-100.95	341.76	2.77	-98.18
COC[C@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017195458	0	41	-2.0	-99.81	386.12	3.71	-96.10
COC[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017195459	0	38	-2.0	-102.01	345.82	2.94	-99.07
COC[C@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017195460	0	44	-2.0	-98.96	388.26	3.87	-95.09
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195461	0	31	-2.0	-104.57	324.24	2.83	-101.74
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017195462	0	31	-2.0	-102.88	324.93	3.02	-99.86
COC[C@H](NS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017195463	0	28	-2.0	-105.68	296.48	1.30	-104.38
COC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017195464	0	37	-2.0	-119.88	327.96	3.43	-116.45
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)C(=O)[O-]	REAL300017195465	0	34	-2.0	-106.19	306.30	2.75	-103.44
COC[C@H](NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195466	0	31	-2.0	-111.62	317.86	2.59	-109.03
COC[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195467	0	31	-2.0	-110.49	302.97	2.04	-108.45
COC[C@H](NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017195468	0	34	-2.0	-109.32	325.29	3.18	-106.14
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017195469	0	31	-2.0	-96.50	309.77	2.56	-93.94
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017195470	0	31	-2.0	-107.49	299.18	1.99	-105.50
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C(=O)[O-]	REAL300017195471	0	34	-2.0	-104.43	319.62	3.15	-101.28
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195472	0	31	-2.0	-106.58	317.27	2.51	-104.07
COC[C@H](NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195473	0	31	-2.0	-104.13	314.92	2.42	-101.71
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C(=O)[O-]	REAL300017195474	0	34	-2.0	-103.76	309.74	2.28	-101.48
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br)C(=O)[O-]	REAL300017195475	0	34	-2.0	-102.65	331.63	3.26	-99.39
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017195541	0	31	-2.0	-106.53	322.58	2.91	-103.62
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017195542	0	35	-2.0	-106.91	308.57	1.77	-105.14
COC[C@H](NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195543	0	32	-2.0	-117.92	303.46	0.01	-117.91
COC[C@H](NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017195544	0	35	-2.0	-102.31	328.03	3.27	-99.04
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017195545	0	31	-2.0	-100.27	311.52	2.71	-97.56
COC[C@H](NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017195546	0	37	-2.0	-100.38	340.14	3.56	-96.82
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017195547	0	31	-2.0	-102.52	288.35	1.63	-100.89
COC[C@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017195548	0	34	-2.0	-102.53	318.74	2.76	-99.77
COC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195549	0	35	-2.0	-117.74	321.94	2.02	-115.72
COC[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017195550	0	35	-2.0	-101.41	325.73	2.24	-99.17
COC[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017195551	0	35	-2.0	-102.97	331.95	2.31	-100.66
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)[O-]	REAL300017195552	0	31	-2.0	-107.01	289.43	1.65	-105.36
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017195553	0	31	-2.0	-105.19	309.07	2.38	-102.81
COC[C@H](NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017195554	0	34	-2.0	-128.80	309.77	2.30	-126.50
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017195555	0	39	-2.0	-99.28	360.31	3.38	-95.90
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017195556	0	31	-2.0	-99.34	294.70	1.70	-97.64
COC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017195556	1	30	-3.0	-194.58	301.18	2.34	-192.24
COC[C@H](NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195557	0	37	-2.0	-123.17	333.37	3.14	-120.03
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017195558	0	33	-2.0	-101.79	324.52	2.66	-99.13
COC[C@H](NS(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017195559	0	35	-2.0	-100.41	337.02	2.62	-97.79
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017195560	0	31	-2.0	-104.61	312.81	2.47	-102.14
COC[C@H](NS(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195561	0	34	-2.0	-106.86	330.20	3.06	-103.80
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C)C(=O)[O-]	REAL300017195562	0	34	-2.0	-104.74	323.67	3.24	-101.50
COC[C@H](NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195563	0	34	-2.0	-119.43	321.40	2.63	-116.80
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F)C(=O)[O-]	REAL300017195564	0	34	-2.0	-104.48	309.32	2.27	-102.21
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl)C(=O)[O-]	REAL300017195565	0	34	-2.0	-111.27	328.77	3.10	-108.17
COC[C@H](NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195566	0	34	-2.0	-114.61	325.88	2.91	-111.70
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017195567	0	34	-2.0	-109.05	320.72	3.07	-105.98
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl)C(=O)[O-]	REAL300017195568	0	35	-2.0	-115.48	337.03	2.63	-112.85
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F)C(=O)[O-]	REAL300017195569	0	35	-2.0	-103.82	322.24	2.20	-101.62
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195570	0	33	-2.0	-103.53	308.54	3.36	-100.17
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017195571	0	28	-2.0	-108.32	288.81	1.12	-107.20
COC[C@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017195572	0	34	-2.0	-104.72	318.49	2.77	-101.95
COC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195573	0	33	-2.0	-122.75	323.12	3.07	-119.68
COC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C)C(=O)[O-]	REAL300017195574	0	43	-2.0	-122.70	355.03	4.61	-118.09
COC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195575	0	33	-2.0	-119.97	315.73	4.15	-115.82
COC[C@H](NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195576	0	40	-2.0	-128.60	343.69	3.57	-125.03
COC[C@H](NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195577	0	34	-2.0	-106.61	326.18	2.97	-103.64
COC[C@H](NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195578	0	34	-2.0	-105.90	317.49	2.58	-103.32
COC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195579	0	37	-2.0	-127.67	337.61	4.10	-123.57
COC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017195586	1	31	-2.0	-125.38	305.94	-0.22	-125.60
COC[C@H]([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017195612	0	30	-2.0	-129.78	306.11	-1.19	-130.97
COC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017195620	1	28	-2.0	-141.73	277.02	2.44	-139.29
COC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017195624	1	27	-2.0	-125.26	285.05	0.48	-124.78
COC[C@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017195657	1	31	-2.0	-140.15	307.76	0.43	-139.72
COC[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017195677	0	30	-2.0	-151.05	289.32	0.58	-150.47
COC[C@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300017195681	1	32	-2.0	-136.54	308.07	1.89	-134.65
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017195685	0	31	-2.0	-99.04	300.14	1.72	-97.32
COC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017195685	1	30	-3.0	-182.50	310.67	1.74	-180.76
COC[C@H](NS(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC)C(=O)[O-]	REAL300017195687	0	42	-2.0	-121.29	374.62	2.56	-118.73
COC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)C(=O)[O-]	REAL300017195688	0	35	-2.0	-106.95	308.57	1.79	-105.16
COC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017195689	0	31	-2.0	-128.05	287.64	1.60	-126.45
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195705	0	33	-3.0	-196.54	324.73	2.57	-193.97
COC[C@H](NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O)C(=O)[O-]	REAL300017195706	0	35	-2.0	-125.94	311.29	0.94	-125.00
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300017195707	0	31	-3.0	-199.67	288.50	0.61	-199.06
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(=O)[O-]	REAL300017195707	1	32	-2.0	-106.59	305.96	-0.28	-106.87
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(=O)[O-]	REAL300017195708	0	30	-2.0	-100.20	283.32	0.92	-99.28
COC[C@H](NS(=O)(=O)C1=C(C)NN=C1C(=O)[O-])C(=O)[O-]	REAL300017195709	0	31	-2.0	-127.90	287.00	-0.29	-128.19
COC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300017195710	0	34	-2.0	-108.23	308.78	2.60	-105.63
COC[C@H](NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195711	0	28	-2.0	-102.81	280.39	0.43	-102.38
COC[C@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017195714	0	25	-2.0	-125.81	267.81	-0.28	-126.09
COC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300017195725	1	32	-2.0	-132.35	302.47	1.72	-130.63
COC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300017195745	0	31	-2.0	-124.85	319.61	1.04	-123.81
COC[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195749	0	35	-2.0	-109.23	338.44	2.51	-106.72
COC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017195754	1	31	-2.0	-137.42	295.48	0.28	-137.14
COC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300017195756	0	29	-2.0	-109.01	292.86	1.09	-107.92
COC[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017195812	0	31	-2.0	-128.07	292.24	1.64	-126.43
COC[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017195813	0	31	-2.0	-106.32	307.38	2.08	-104.24
COC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300017195821	0	28	-2.0	-134.05	290.76	2.54	-131.51
COC[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017195822	1	30	-2.0	-128.13	301.98	0.92	-127.21
COC[C@H]([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300017195826	1	32	-2.0	-142.07	312.79	2.46	-139.61
COC[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017195829	1	28	-2.0	-129.80	288.48	2.26	-127.54
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=C1	REAL300017195842	1	34	-2.0	-113.73	316.23	-0.55	-114.28
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)C(=O)[O-])=N[N-]1	REAL300017195842	1	34	-2.0	-113.74	316.40	-0.57	-114.31
COC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300017195850	1	32	-2.0	-131.05	316.66	2.29	-128.76
COC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017195857	1	25	-2.0	-115.92	291.12	1.14	-114.78
COC[C@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300017195863	1	25	-2.0	-130.97	279.46	1.71	-129.26
COC[C@H](NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C(=O)[O-]	REAL300017195907	0	38	-2.0	-120.39	341.76	3.88	-116.51
COC[C@H]([N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017195911	1	35	-2.0	-135.52	328.87	2.73	-132.79
CCC1=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017195919	0	34	-2.0	-110.41	319.87	1.90	-108.51
CC1(C)OCC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)O1	REAL300017195986	1	39	-2.0	-95.70	355.78	2.97	-92.73
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206819	0	35	-2.0	-125.12	300.66	6.17	-118.95
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1Br	REAL300017206820	0	32	-2.0	-99.29	299.76	6.07	-93.22
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300017206821	0	39	-2.0	-99.63	344.22	4.31	-95.32
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206822	0	40	-2.0	-124.82	346.82	6.96	-117.86
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206823	0	39	-2.0	-127.46	337.79	6.46	-121.00
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1CC(=O)[O-]	REAL300017206824	0	39	-2.0	-129.66	333.95	5.70	-123.96
CC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017206825	0	38	-2.0	-138.44	314.94	6.87	-131.57
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206826	0	36	-2.0	-135.60	304.63	4.32	-131.28
COC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC(C(=O)[O-])=C1OC	REAL300017206827	0	40	-2.0	-105.22	346.08	5.55	-99.67
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)C1	REAL300017206828	0	43	-2.0	-102.01	359.70	6.63	-95.38
CCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017206829	0	39	-2.0	-108.86	332.81	6.54	-102.32
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C(Br)S1	REAL300017206830	0	29	-2.0	-119.55	291.79	5.26	-114.29
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CS1	REAL300017206831	0	29	-2.0	-105.06	283.78	4.86	-100.20
CC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C(C(=O)[O-])O1	REAL300017206832	0	32	-2.0	-125.44	288.56	4.78	-120.66
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC2=C1OCCO2	REAL300017206833	0	38	-2.0	-113.97	334.49	5.58	-108.39
O=C([O-])CCCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1F	REAL300017206834	0	42	-2.0	-99.22	363.26	6.83	-92.39
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Cl	REAL300017206835	0	36	-2.0	-104.79	330.77	6.39	-98.40
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1OCC(=O)[O-]	REAL300017206836	0	39	-2.0	-104.50	334.66	6.57	-97.93
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1OCCCC(=O)[O-]	REAL300017206837	0	45	-2.0	-102.97	377.26	7.49	-95.48
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC(Cl)=C1Cl	REAL300017206838	0	32	-2.0	-97.99	315.45	6.58	-91.41
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206839	0	32	-2.0	-120.30	315.31	6.54	-113.76
O=C([O-])C1=CC(Br)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300017206840	0	29	-2.0	-105.45	301.99	5.54	-99.91
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C)=C1C(=O)[O-]	REAL300017206841	0	38	-2.0	-108.75	314.42	6.89	-101.86
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206842	0	35	-2.0	-111.83	307.80	6.08	-105.75
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206843	0	32	-2.0	-123.90	309.08	6.34	-117.56
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206844	0	32	-2.0	-122.13	294.19	5.79	-116.34
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(Cl)=C1	REAL300017206845	0	32	-2.0	-103.42	297.09	5.97	-97.45
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1F	REAL300017206846	0	32	-2.0	-104.23	288.03	5.63	-98.60
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206847	0	35	-2.0	-126.99	309.48	6.57	-120.42
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC(Cl)=C1F	REAL300017206848	0	32	-2.0	-99.15	308.48	6.27	-92.88
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC(F)=C1Cl	REAL300017206849	0	32	-2.0	-97.68	306.13	6.19	-91.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1F	REAL300017206850	0	35	-2.0	-128.29	316.94	6.37	-121.92
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C(Cl)C=C1Cl	REAL300017206919	0	32	-2.0	-121.71	309.62	6.38	-115.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206920	0	36	-2.0	-135.50	315.49	5.69	-129.81
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1O	REAL300017206921	0	33	-2.0	-103.72	292.31	3.63	-100.09
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300017206922	0	36	-2.0	-104.66	319.21	7.02	-97.64
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206923	0	32	-2.0	-124.56	296.05	6.14	-118.42
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300017206924	0	38	-2.0	-105.73	331.36	7.31	-98.42
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206925	0	32	-2.0	-124.55	293.40	5.79	-118.76
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300017206926	0	35	-2.0	-109.99	309.96	6.50	-103.49
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017206927	0	36	-2.0	-140.16	310.81	5.66	-134.50
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300017206928	0	36	-2.0	-105.35	318.88	5.99	-99.36
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1F	REAL300017206929	0	36	-2.0	-107.63	320.97	5.92	-101.71
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(F)=C1	REAL300017206930	0	32	-2.0	-102.57	294.15	5.69	-96.88
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Cl	REAL300017206931	0	32	-2.0	-102.69	296.00	5.99	-96.70
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206932	0	35	-2.0	-107.09	313.72	6.29	-100.80
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300017206933	0	40	-2.0	-103.05	351.49	7.14	-95.91
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206934	0	32	-2.0	-116.55	302.97	5.79	-110.76
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC(C(=O)[O-])=C1C	REAL300017206935	0	38	-2.0	-107.67	323.57	6.80	-100.87
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206936	0	34	-2.0	-97.69	315.15	6.33	-91.36
COC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C(Cl)C=C1C(=O)[O-]	REAL300017206937	0	36	-2.0	-107.25	324.31	6.04	-101.21
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Br	REAL300017206938	0	32	-2.0	-102.34	299.74	6.09	-96.25
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC(C(=O)[O-])=C1F	REAL300017206939	0	35	-2.0	-133.29	312.62	6.40	-126.89
CC1=CC(F)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017206940	0	35	-2.0	-126.91	313.66	6.28	-120.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1Cl	REAL300017206941	0	35	-2.0	-129.82	318.81	6.64	-123.18
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC(C(=O)[O-])=C1Cl	REAL300017206942	0	35	-2.0	-131.01	319.01	6.69	-124.32
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206943	0	35	-2.0	-100.15	306.94	6.58	-93.57
COC1=CC(Cl)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017206944	0	36	-2.0	-132.53	324.26	6.06	-126.47
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(OC(F)(F)F)=C1	REAL300017206945	0	36	-2.0	-102.84	332.79	6.01	-96.83
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C([N+](=O)[O-])=C1	REAL300017206946	0	34	-2.0	-98.20	297.44	6.56	-91.64
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300017206947	0	29	-2.0	-102.89	276.10	4.70	-98.19
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206948	0	35	-2.0	-108.54	309.44	6.42	-102.12
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1[N+](=O)[O-]	REAL300017206949	0	34	-2.0	-129.89	307.62	6.67	-123.22
CC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C)=C1CC(=O)[O-]	REAL300017206950	0	44	-2.0	-117.64	341.66	8.18	-109.46
O=C([O-])C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1[N+](=O)[O-]	REAL300017206951	0	34	-2.0	-104.86	302.40	7.23	-97.63
CC(C)(C)C1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C(C(=O)[O-])S1	REAL300017206952	0	41	-2.0	-119.90	339.62	7.77	-112.13
CC1=C(Cl)C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017206953	0	35	-2.0	-101.55	320.72	6.70	-94.85
CC1=C(F)C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017206954	0	35	-2.0	-101.20	312.07	6.31	-94.89
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC2=CC=CC=C21	REAL300017206955	0	38	-2.0	-144.47	324.72	7.72	-136.75
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209256	0	36	-2.0	-98.35	297.74	5.45	-92.90
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017209257	0	33	-2.0	-112.68	302.20	5.89	-106.79
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017209258	0	40	-2.0	-97.29	341.41	4.02	-93.27
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209259	0	41	-2.0	-101.24	342.18	6.03	-95.21
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209260	0	40	-2.0	-112.14	333.04	5.50	-106.64
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1CC(=O)[O-]	REAL300017209261	0	40	-2.0	-119.13	336.41	5.52	-113.61
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017209262	0	39	-2.0	-103.23	307.81	5.89	-97.34
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209263	0	37	-2.0	-107.55	301.61	3.50	-104.05
COC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017209264	0	41	-2.0	-106.10	344.24	5.24	-100.86
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017209265	0	44	-2.0	-98.55	361.28	6.49	-92.06
CCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017209266	0	40	-2.0	-111.66	335.07	6.37	-105.29
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017209267	0	30	-2.0	-98.68	289.99	4.57	-94.11
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017209268	0	30	-2.0	-103.77	277.00	4.45	-99.32
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017209269	0	33	-2.0	-104.82	286.43	4.09	-100.73
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017209270	0	39	-2.0	-119.52	328.63	5.21	-114.31
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017209271	0	43	-2.0	-102.62	365.67	6.64	-95.98
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017209272	0	37	-2.0	-100.07	333.05	6.21	-93.86
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300017209273	0	43	-2.0	-102.17	375.49	7.12	-95.05
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017209274	0	40	-2.0	-97.91	336.70	5.99	-91.92
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017209275	0	46	-2.0	-103.83	379.53	7.31	-96.52
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017209276	0	33	-2.0	-97.47	313.62	6.26	-91.21
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017209277	0	33	-2.0	-96.25	308.09	5.77	-90.48
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017209278	0	30	-2.0	-98.20	298.76	5.29	-92.91
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017209279	0	39	-2.0	-115.12	313.22	6.04	-109.08
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209280	0	36	-2.0	-100.08	292.37	5.41	-94.67
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017209281	0	33	-2.0	-108.72	307.24	6.02	-102.70
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017209282	0	33	-2.0	-107.30	292.33	5.47	-101.83
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209283	0	36	-2.0	-104.19	311.75	5.94	-98.25
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017209284	0	33	-2.0	-97.96	293.01	5.31	-92.65
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017209285	0	33	-2.0	-102.38	290.60	5.46	-96.92
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209286	0	36	-2.0	-98.93	306.41	5.82	-93.11
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017209287	0	33	-2.0	-99.06	306.63	5.94	-93.12
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017209288	0	33	-2.0	-96.62	304.28	5.85	-90.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1F	REAL300017209289	0	36	-2.0	-100.93	308.91	5.58	-95.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1Br	REAL300017209290	0	36	-2.0	-101.09	313.85	5.99	-95.10
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017209358	0	33	-2.0	-96.05	302.92	5.57	-90.48
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209359	0	37	-2.0	-105.96	310.71	4.74	-101.22
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017209360	0	34	-2.0	-117.36	294.74	3.45	-113.91
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017209361	0	37	-2.0	-102.31	316.40	6.73	-95.58
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017209362	0	33	-2.0	-98.88	295.63	5.41	-93.47
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017209363	0	39	-2.0	-102.13	328.55	7.01	-95.12
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017209364	0	33	-2.0	-101.34	288.84	4.87	-96.47
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017209365	0	36	-2.0	-105.01	307.15	6.21	-98.80
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017209366	0	37	-2.0	-122.90	313.21	5.46	-117.44
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017209367	0	37	-2.0	-101.27	316.05	5.71	-95.56
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017209368	0	37	-2.0	-101.12	323.23	5.73	-95.39
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017209369	0	33	-2.0	-91.25	288.80	4.86	-86.39
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017209370	0	33	-2.0	-99.64	298.56	5.83	-93.81
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209371	0	36	-2.0	-102.05	308.48	5.49	-96.56
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017209372	0	41	-2.0	-101.32	349.65	6.82	-94.50
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017209373	0	33	-2.0	-96.05	295.23	5.07	-90.98
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017209374	0	39	-2.0	-108.37	323.52	6.61	-101.76
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017209375	0	35	-2.0	-94.81	314.15	6.07	-88.74
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300017209376	0	33	-2.0	-98.59	300.20	5.47	-93.12
COC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017209377	0	37	-2.0	-103.67	320.21	5.39	-98.28
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017209378	0	33	-2.0	-98.91	302.31	5.92	-92.99
CC1=C(Br)C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017209379	0	36	-2.0	-100.05	320.71	6.49	-93.56
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209380	0	36	-2.0	-99.13	310.43	5.90	-93.23
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017209381	0	36	-2.0	-116.43	311.33	6.09	-110.34
CC1=CC(F)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017209382	0	36	-2.0	-98.84	303.54	5.40	-93.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1Cl	REAL300017209383	0	36	-2.0	-101.91	311.67	5.89	-96.02
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017209384	0	36	-2.0	-114.25	317.72	6.40	-107.85
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209385	0	36	-2.0	-104.02	307.17	5.83	-98.19
COC1=CC(Cl)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017209386	0	37	-2.0	-106.28	320.23	5.40	-100.88
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017209387	0	37	-2.0	-99.05	327.71	5.44	-93.61
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017209388	0	35	-2.0	-88.48	298.10	5.82	-82.66
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017209389	0	30	-2.0	-102.65	278.38	4.64	-98.01
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017209390	0	36	-2.0	-116.55	308.27	6.21	-110.34
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017209391	0	35	-2.0	-118.57	312.32	6.44	-112.13
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017209392	0	45	-2.0	-101.18	340.25	7.23	-93.95
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017209393	0	35	-2.0	-104.62	301.53	6.55	-98.07
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017209394	0	42	-2.0	-121.86	335.00	7.10	-114.76
CC1=C(Cl)C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017209395	0	36	-2.0	-99.80	316.69	6.40	-93.40
CC1=C(F)C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017209396	0	36	-2.0	-98.73	307.98	6.01	-92.72
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017209397	0	39	-2.0	-110.73	325.21	7.07	-103.66
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017209502	0	33	-2.0	-92.44	299.51	4.96	-87.48
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1OC	REAL300017209504	0	44	-2.0	-102.27	362.35	5.54	-96.73
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209505	0	37	-2.0	-102.85	311.21	4.95	-97.90
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017209506	0	33	-2.0	-125.90	282.65	5.05	-120.85
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017209521	0	35	-3.0	-177.08	314.34	5.97	-171.11
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209522	0	37	-2.0	-113.14	311.70	4.20	-108.94
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017209523	0	33	-3.0	-189.54	288.72	3.51	-186.03
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017209523	1	34	-2.0	-99.77	290.82	2.77	-97.00
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017209524	0	32	-2.0	-108.70	281.99	4.14	-104.56
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C(=O)[O-])=NN1	REAL300017209525	0	33	-2.0	-124.88	271.25	2.27	-122.61
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209526	0	36	-2.0	-105.45	297.42	5.48	-99.97
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017209527	0	30	-2.0	-98.76	283.17	3.88	-94.88
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017209564	0	37	-2.0	-112.91	329.72	5.95	-106.96
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017209571	0	31	-2.0	-101.20	293.61	4.26	-96.94
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017209625	0	33	-2.0	-114.44	291.32	4.94	-109.50
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017209626	0	33	-2.0	-98.33	296.77	5.51	-92.82
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017209655	1	36	-2.0	-103.58	314.74	2.88	-100.70
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=N[N-]1	REAL300017209655	1	36	-2.0	-103.67	314.86	2.87	-100.80
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017209719	0	40	-2.0	-108.19	331.39	7.29	-100.90
CCC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017209731	0	36	-2.0	-101.58	303.70	4.57	-97.01
CCN1C=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1C(=O)[O-]	REAL300017209737	0	38	-2.0	-103.84	340.42	6.36	-97.48
O=C([O-])C1=CC=CC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209740	0	34	-2.0	-101.01	308.21	6.50	-94.51
CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1C(=O)[O-]	REAL300017209741	0	37	-2.0	-103.08	329.03	6.67	-96.41
O=C([O-])C1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1	REAL300017209742	0	34	-2.0	-100.92	313.33	6.17	-94.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1C	REAL300017209743	0	40	-2.0	-111.09	334.23	7.30	-103.79
O=C([O-])CC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)S1	REAL300017209744	0	34	-2.0	-100.38	319.21	5.55	-94.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209745	0	37	-2.0	-131.16	314.68	6.28	-124.88
O=C([O-])C1=CSC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209746	0	31	-2.0	-104.61	301.81	5.53	-99.08
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209747	0	40	-2.0	-124.27	341.38	7.63	-116.64
CN1C=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1C(=O)[O-]	REAL300017209748	0	35	-2.0	-122.67	315.59	5.92	-116.75
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C1	REAL300017209749	0	34	-2.0	-105.63	315.57	5.45	-100.18
CC1=C(C(=O)[O-])C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=C(C)O1	REAL300017209750	0	37	-2.0	-111.07	324.08	6.38	-104.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1C(C(=O)[O-])CCC1C(F)(F)F	REAL300017209751	0	37	-2.0	-99.99	319.03	6.56	-93.43
CCC1=CC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C1C(=O)[O-]	REAL300017209752	0	40	-2.0	-104.34	346.54	7.34	-97.00
CC1=CC(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300017209753	0	37	-2.0	-101.94	324.68	7.02	-94.92
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)S1	REAL300017209876	1	34	-2.0	-99.31	326.28	1.97	-97.34
CC1=C(S(=O)(=O)N2C(C(=O)[O-])CCC2C(F)(F)F)C=C(C(=O)[O-])S1	REAL300017209880	0	34	-2.0	-126.54	308.98	6.31	-120.23
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(F)=C1	REAL300017211182	1	37	-2.0	-101.80	340.25	-1.97	-103.77
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211349	0	35	-2.0	-115.89	307.06	2.74	-113.15
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1Br	REAL300017211350	0	32	-2.0	-100.48	304.84	1.69	-98.79
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211351	0	39	-2.0	-100.21	351.55	0.74	-99.47
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211352	0	40	-2.0	-121.32	351.96	3.02	-118.30
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211353	0	39	-2.0	-123.93	342.84	2.51	-121.42
COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1CC(=O)[O-]	REAL300017211354	0	39	-2.0	-111.80	339.06	1.33	-110.47
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017211355	0	38	-2.0	-127.74	317.76	3.24	-124.50
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211356	0	36	-2.0	-112.31	311.93	0.57	-111.74
COC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017211357	0	40	-2.0	-108.19	350.46	1.11	-107.08
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C2)C1	REAL300017211358	0	43	-2.0	-99.89	369.05	2.39	-97.50
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017211359	0	39	-2.0	-110.06	337.72	2.18	-107.88
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CS1	REAL300017211360	0	29	-2.0	-116.90	286.74	1.20	-115.70
CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017211361	0	32	-2.0	-117.15	294.32	1.16	-115.99
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC2=C1OCCO2	REAL300017211362	0	38	-2.0	-138.24	334.31	1.09	-137.15
O=C([O-])CCCOC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1F	REAL300017211363	0	42	-2.0	-97.66	368.30	2.45	-95.21
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Cl	REAL300017211364	0	36	-2.0	-101.05	339.27	2.13	-98.92
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017211365	0	39	-2.0	-104.15	339.70	2.19	-101.96
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017211366	0	45	-2.0	-101.07	382.15	3.12	-97.95
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC(Cl)=C1Cl	REAL300017211367	0	32	-2.0	-120.73	316.24	2.05	-118.68
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211368	0	32	-2.0	-108.79	315.97	2.98	-105.81
CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017211369	0	38	-2.0	-106.80	320.87	3.31	-103.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211370	0	35	-2.0	-107.34	304.05	2.51	-104.83
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211371	0	32	-2.0	-125.00	313.47	1.92	-123.08
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211372	0	32	-2.0	-123.30	298.58	1.37	-121.93
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(Cl)=C1	REAL300017211373	0	32	-2.0	-99.86	302.90	2.31	-97.55
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1F	REAL300017211374	0	32	-2.0	-111.57	293.02	1.24	-110.33
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211375	0	35	-2.0	-117.51	315.77	3.12	-114.39
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC(Cl)=C1F	REAL300017211376	0	32	-2.0	-122.84	309.27	1.73	-121.11
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC(F)=C1Cl	REAL300017211377	0	32	-2.0	-119.45	306.91	1.64	-117.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1F	REAL300017211378	0	35	-2.0	-115.83	316.54	2.71	-113.12
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300017211450	0	32	-2.0	-113.33	315.32	2.71	-110.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211451	0	36	-2.0	-126.58	320.53	1.74	-124.84
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1O	REAL300017211452	0	33	-2.0	-105.41	297.38	-0.75	-106.16
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211453	0	36	-2.0	-107.33	326.54	3.45	-103.88
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211454	0	32	-2.0	-117.63	305.47	2.45	-115.18
O=C([O-])CCC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211455	0	38	-2.0	-103.26	335.79	2.90	-100.36
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211456	0	32	-2.0	-116.33	298.38	1.80	-114.53
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211457	0	35	-2.0	-108.05	317.26	2.94	-105.11
COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017211458	0	36	-2.0	-109.23	315.87	1.27	-107.96
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211459	0	36	-2.0	-104.39	326.16	2.44	-101.95
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1F	REAL300017211460	0	36	-2.0	-101.88	329.47	1.66	-100.22
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(F)=C1	REAL300017211461	0	32	-2.0	-99.58	298.36	1.80	-97.78
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Cl	REAL300017211462	0	32	-2.0	-107.01	300.99	1.60	-105.41
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211463	0	35	-2.0	-106.76	317.96	2.41	-104.35
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1	REAL300017211464	0	40	-2.0	-104.52	360.91	3.26	-101.26
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211465	0	32	-2.0	-105.57	302.52	2.14	-103.43
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017211466	0	38	-2.0	-106.99	325.08	2.39	-104.60
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211467	0	34	-2.0	-99.01	320.40	1.99	-97.02
COC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017211468	0	36	-2.0	-103.60	330.13	2.38	-101.22
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1Br	REAL300017211469	0	32	-2.0	-105.95	304.73	1.69	-104.26
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017211470	0	35	-2.0	-105.00	317.03	1.97	-103.03
CC1=CC(F)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017211471	0	35	-2.0	-116.87	316.08	2.71	-114.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1Cl	REAL300017211472	0	35	-2.0	-106.76	320.83	2.96	-103.80
CC1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017211473	0	35	-2.0	-103.27	323.43	2.28	-100.99
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211474	0	35	-2.0	-97.92	313.47	3.08	-94.84
COC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017211475	0	36	-2.0	-123.53	330.06	2.40	-121.13
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(OC(F)(F)F)=C1	REAL300017211476	0	36	-2.0	-99.73	337.02	2.23	-97.50
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300017211477	0	34	-2.0	-108.50	314.47	3.64	-104.86
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300017211478	0	29	-2.0	-101.47	287.34	1.30	-100.17
O=C([O-])CC1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211479	0	35	-2.0	-110.50	317.23	2.93	-107.57
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017211480	0	34	-2.0	-100.65	312.83	2.32	-98.33
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017211481	0	44	-2.0	-110.57	353.29	4.70	-105.87
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300017211482	0	34	-2.0	-107.32	309.99	3.82	-103.50
CC(C)(C)C1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017211483	0	41	-2.0	-125.03	342.62	3.22	-121.81
CC1=C(Cl)C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017211484	0	35	-2.0	-101.14	322.03	2.26	-98.88
CC1=C(F)C=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017211485	0	35	-2.0	-101.27	313.33	1.88	-99.39
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC2=CC=CC=C21	REAL300017211486	0	38	-2.0	-144.94	333.04	3.44	-141.50
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C(F)C(F)=C1F	REAL300017211604	0	32	-2.0	-104.97	308.46	2.18	-102.79
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1OC	REAL300017211606	0	43	-2.0	-111.65	373.42	2.28	-109.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211607	0	36	-2.0	-106.62	320.52	1.74	-104.88
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1F	REAL300017211608	0	32	-2.0	-106.40	294.41	2.04	-104.36
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017211623	0	34	-3.0	-179.47	323.49	2.72	-176.75
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211624	0	36	-2.0	-104.36	319.18	1.25	-103.11
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211625	0	32	-3.0	-189.60	298.53	0.53	-189.07
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211625	1	33	-2.0	-108.53	301.93	-0.22	-108.75
O=C([O-])C1=CC=NC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211626	0	31	-2.0	-114.30	291.31	0.29	-114.01
CC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C(C(=O)[O-])=NN1	REAL300017211627	0	32	-2.0	-140.88	287.42	-0.43	-141.31
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	REAL300017211628	0	35	-2.0	-125.68	306.42	2.73	-122.95
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C(Cl)O1	REAL300017211629	0	29	-2.0	-105.30	291.95	0.67	-104.63
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC=C1OC(F)(F)F	REAL300017211669	0	36	-2.0	-101.86	332.36	1.75	-100.11
O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017211676	0	30	-2.0	-102.34	302.87	0.98	-101.36
O=C([O-])C1=C(F)C=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1F	REAL300017211735	0	32	-2.0	-105.31	301.04	1.78	-103.53
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=CC(F)=C1F	REAL300017211736	0	32	-2.0	-121.78	299.38	1.30	-120.48
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300017211766	1	35	-2.0	-108.04	323.29	-0.72	-108.76
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])=N[N-]1	REAL300017211766	1	35	-2.0	-108.02	323.39	-0.71	-108.73
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])C=C2C1	REAL300017211846	0	39	-2.0	-105.11	336.37	3.17	-101.94
CCC1=C(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017211859	0	35	-2.0	-103.98	314.00	1.73	-102.25
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=CC(C(=O)[O-])=C1	REAL300017211942	0	35	-2.0	-107.63	332.45	4.34	-103.29
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)=C1	REAL300017211944	0	33	-2.0	-100.13	305.82	2.38	-97.75
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC(O)(CCC(F)(F)F)CC2)=C1	REAL300017211975	0	42	-2.0	-108.16	358.53	3.04	-105.12
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017215967	1	39	-2.0	-96.14	348.01	1.73	-94.41
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216135	0	37	-2.0	-95.15	313.47	5.92	-89.23
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017216136	0	34	-2.0	-100.31	321.85	6.04	-94.27
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017216137	0	41	-2.0	-94.21	361.64	4.16	-90.05
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216138	0	42	-2.0	-100.88	357.71	6.63	-94.25
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216139	0	41	-2.0	-101.18	349.46	6.20	-94.98
COC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1CC(=O)[O-]	REAL300017216140	0	41	-2.0	-111.32	355.99	5.70	-105.62
CC1=CC(C)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017216141	0	40	-2.0	-102.70	327.88	6.65	-96.05
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216142	0	38	-2.0	-104.18	320.96	4.06	-100.12
COC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC(C(=O)[O-])=C1OC	REAL300017216143	0	42	-2.0	-104.27	362.17	5.41	-98.86
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017216144	0	45	-2.0	-93.04	381.88	6.61	-86.43
CCOC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017216145	0	41	-2.0	-109.95	354.74	6.53	-103.42
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017216146	0	31	-2.0	-93.88	302.32	4.84	-89.04
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017216147	0	31	-2.0	-100.89	296.80	4.61	-96.28
CC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017216148	0	34	-2.0	-98.88	300.69	4.37	-94.51
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017216149	0	40	-2.0	-108.64	347.33	5.36	-103.28
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017216150	0	44	-2.0	-98.52	384.78	6.83	-91.69
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017216151	0	38	-2.0	-96.14	352.13	6.40	-89.74
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1OCC(=O)[O-]	REAL300017216152	0	41	-2.0	-96.58	355.01	6.58	-90.00
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1OCCCC(=O)[O-]	REAL300017216153	0	47	-2.0	-96.87	397.45	7.51	-89.36
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017216154	0	34	-2.0	-97.75	333.20	6.43	-91.32
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017216155	0	34	-2.0	-90.83	326.55	6.22	-84.61
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017216156	0	31	-2.0	-92.26	317.59	5.36	-86.90
CC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1C(=O)[O-]	REAL300017216157	0	40	-2.0	-104.75	328.34	6.48	-98.27
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216158	0	37	-2.0	-96.37	310.28	5.85	-90.52
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017216159	0	34	-2.0	-97.35	326.91	6.17	-91.18
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017216160	0	34	-2.0	-98.05	311.56	5.64	-92.41
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017216161	0	34	-2.0	-93.85	306.07	5.66	-88.19
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017216162	0	34	-2.0	-99.10	308.73	5.64	-93.46
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216163	0	37	-2.0	-95.72	323.61	6.30	-89.42
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017216164	0	34	-2.0	-100.28	326.24	6.11	-94.17
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017216165	0	34	-2.0	-95.01	322.26	6.04	-88.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300017216166	0	37	-2.0	-96.13	326.25	6.06	-90.07
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017216237	0	34	-2.0	-93.64	324.04	6.28	-87.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216238	0	38	-2.0	-103.80	327.68	5.45	-98.35
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017216239	0	35	-2.0	-104.10	313.85	3.62	-100.48
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017216240	0	38	-2.0	-97.40	336.13	6.87	-90.53
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017216241	0	34	-2.0	-94.90	313.18	5.85	-89.05
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017216242	0	40	-2.0	-95.37	347.43	7.18	-88.19
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017216243	0	34	-2.0	-95.45	306.16	5.50	-89.95
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017216244	0	37	-2.0	-98.58	327.41	6.34	-92.24
COC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017216245	0	38	-2.0	-107.60	332.33	5.64	-101.96
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017216246	0	38	-2.0	-97.32	336.57	5.85	-91.47
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017216247	0	38	-2.0	-97.92	342.33	5.92	-92.00
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017216248	0	34	-2.0	-94.46	306.09	5.51	-88.95
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017216249	0	34	-2.0	-96.75	317.98	5.98	-90.77
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216250	0	37	-2.0	-109.74	325.99	6.08	-103.66
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017216251	0	42	-2.0	-96.39	369.35	6.96	-89.43
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017216252	0	34	-2.0	-90.57	311.28	5.51	-85.06
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC(C(=O)[O-])=C1C	REAL300017216253	0	40	-2.0	-104.22	341.85	6.72	-97.50
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017216254	0	36	-2.0	-94.62	333.41	6.24	-88.38
COC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C(Cl)C=C1C(=O)[O-]	REAL300017216255	0	38	-2.0	-97.64	338.78	5.92	-91.72
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017216256	0	34	-2.0	-93.55	320.88	6.07	-87.48
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC(C(=O)[O-])=C1F	REAL300017216257	0	37	-2.0	-104.03	328.72	6.24	-97.79
CC1=CC(F)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017216258	0	37	-2.0	-96.75	326.04	6.10	-90.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1Cl	REAL300017216259	0	37	-2.0	-95.93	324.81	6.24	-89.69
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC(C(=O)[O-])=C1Cl	REAL300017216260	0	37	-2.0	-101.11	335.11	6.55	-94.56
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216261	0	37	-2.0	-94.16	324.27	6.43	-87.73
COC1=CC(Cl)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017216262	0	38	-2.0	-100.39	338.54	5.83	-94.56
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017216263	0	38	-2.0	-93.84	343.65	5.95	-87.89
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017216264	0	36	-2.0	-91.33	322.08	7.24	-84.09
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017216265	0	31	-2.0	-96.51	296.46	4.73	-91.78
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017216266	0	37	-2.0	-99.94	326.04	6.36	-93.58
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017216267	0	36	-2.0	-107.77	331.57	6.66	-101.11
CC1=CC(C)=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1CC(=O)[O-]	REAL300017216268	0	46	-2.0	-103.78	362.70	8.15	-95.63
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017216269	0	36	-2.0	-107.34	329.06	7.51	-99.83
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017216270	0	43	-2.0	-104.50	357.45	7.62	-96.88
CC1=C(Cl)C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017216271	0	37	-2.0	-97.19	339.75	6.64	-90.55
CC1=C(F)C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017216272	0	37	-2.0	-97.58	330.47	6.26	-91.32
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017216273	0	40	-2.0	-109.17	346.53	7.70	-101.47
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017216390	0	34	-2.0	-90.39	317.86	5.53	-84.86
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1OC	REAL300017216392	0	45	-2.0	-102.73	381.06	6.14	-96.59
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216393	0	38	-2.0	-97.20	326.52	5.37	-91.83
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017216394	0	34	-2.0	-107.86	305.35	5.42	-102.44
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017216409	0	36	-3.0	-168.66	334.03	6.12	-162.54
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216410	0	38	-2.0	-105.53	325.41	4.96	-100.57
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017216411	0	34	-3.0	-170.57	305.71	4.19	-166.38
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017216411	1	35	-2.0	-99.14	306.44	3.56	-95.58
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017216412	0	33	-2.0	-97.86	301.38	3.71	-94.15
CC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C(C(=O)[O-])=NN1	REAL300017216413	0	34	-2.0	-111.71	295.26	3.31	-108.40
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017216414	0	37	-2.0	-103.32	316.71	6.05	-97.27
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017216415	0	31	-2.0	-94.85	299.31	4.35	-90.50
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017216456	0	38	-2.0	-100.01	348.83	6.13	-93.88
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017216463	0	32	-2.0	-90.41	311.59	4.64	-85.77
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017216523	0	34	-2.0	-109.06	308.22	5.47	-103.59
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017216524	0	34	-2.0	-97.78	314.72	5.69	-92.09
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017216554	1	37	-2.0	-93.49	333.44	2.68	-90.81
CCOC(=O)C1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=N[N-]1	REAL300017216554	1	37	-2.0	-93.47	333.54	2.68	-90.79
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017216631	0	41	-2.0	-97.82	349.72	7.44	-90.38
CCC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017216643	0	37	-2.0	-99.71	323.00	5.22	-94.49
CCN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1C(=O)[O-]	REAL300017216648	0	41	-2.0	-116.34	342.85	6.17	-110.17
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216649	0	46	-2.0	-117.52	362.16	7.86	-109.66
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017216650	0	47	-2.0	-119.06	358.37	8.03	-111.03
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017216651	0	44	-2.0	-97.15	346.27	7.46	-89.69
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017216653	0	37	-2.0	-105.21	320.54	6.21	-99.00
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017216654	0	37	-2.0	-95.33	326.65	6.32	-89.01
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017216655	0	37	-2.0	-97.74	314.14	5.91	-91.83
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1C(=O)[O-]	REAL300017216656	0	40	-2.0	-97.53	330.16	6.45	-91.08
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017216657	0	37	-2.0	-100.36	314.11	5.93	-94.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1C	REAL300017216658	0	43	-2.0	-115.71	338.33	6.87	-108.84
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017216659	0	37	-2.0	-101.31	328.71	5.87	-95.44
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216660	0	40	-2.0	-95.84	317.59	6.17	-89.67
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017216661	0	34	-2.0	-105.98	307.56	4.99	-100.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216662	0	43	-2.0	-116.73	340.07	7.52	-109.21
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017216663	0	38	-2.0	-114.67	320.76	5.28	-109.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C1	REAL300017216664	0	37	-2.0	-104.87	323.24	5.60	-99.27
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=C(C)O1	REAL300017216665	0	40	-2.0	-100.16	324.72	6.24	-93.92
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017216666	0	37	-2.0	-104.45	325.13	6.22	-98.23
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C	REAL300017216667	0	40	-2.0	-115.67	312.24	6.05	-109.62
CCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C1C(=O)[O-]	REAL300017216668	0	43	-2.0	-97.54	348.39	7.09	-90.45
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)=CC=C1C(=O)[O-]	REAL300017216669	0	40	-2.0	-98.93	330.13	6.46	-92.47
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017216670	0	40	-2.0	-96.56	344.23	6.73	-89.83
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)S1	REAL300017216840	1	37	-2.0	-97.36	327.33	1.72	-95.64
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)C=C(C(=O)[O-])S1	REAL300017216842	0	37	-2.0	-111.48	316.98	5.53	-105.95
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017229315	1	41	-2.0	-94.10	365.18	2.27	-91.83
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300017229482	0	39	-2.0	-108.56	337.55	6.69	-101.87
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017229483	0	36	-2.0	-116.24	340.74	6.67	-109.57
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017229484	0	43	-2.0	-96.94	381.02	4.78	-92.16
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300017229485	0	44	-2.0	-99.65	380.55	7.44	-92.21
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300017229486	0	43	-2.0	-99.59	371.39	6.92	-92.67
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300017229487	0	43	-2.0	-125.07	374.95	6.32	-118.75
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300017229488	0	42	-2.0	-109.14	353.85	7.56	-101.58
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300017229489	0	40	-2.0	-99.32	340.68	4.66	-94.66
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300017229490	0	44	-2.0	-113.80	382.80	6.01	-107.79
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017229491	0	47	-2.0	-92.02	401.32	7.24	-84.78
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300017229492	0	43	-2.0	-102.88	373.61	7.17	-95.71
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017229493	0	33	-2.0	-96.31	316.38	5.23	-91.08
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300017229494	0	36	-2.0	-95.61	323.10	5.21	-90.40
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017229495	0	42	-2.0	-123.51	366.63	5.97	-117.54
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017229496	0	46	-2.0	-101.75	404.23	7.44	-94.31
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017229497	0	40	-2.0	-99.82	371.58	7.00	-92.82
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300017229498	0	43	-2.0	-99.05	375.63	7.18	-91.87
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300017229499	0	49	-2.0	-98.17	418.08	8.11	-90.06
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017229500	0	36	-2.0	-103.21	352.15	7.03	-96.18
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017229501	0	36	-2.0	-90.58	340.24	6.71	-83.87
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300017229502	0	42	-2.0	-110.77	351.10	7.27	-103.50
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300017229503	0	39	-2.0	-100.15	341.54	7.06	-93.09
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017229504	0	36	-2.0	-92.90	345.76	6.80	-86.10
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017229505	0	36	-2.0	-92.30	330.88	6.25	-86.05
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017229506	0	36	-2.0	-97.96	325.59	6.29	-91.67
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017229507	0	36	-2.0	-103.32	328.99	6.23	-97.09
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300017229508	0	39	-2.0	-109.73	346.25	7.08	-102.65
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017229509	0	36	-2.0	-105.38	345.17	6.71	-98.67
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017229510	0	36	-2.0	-102.29	342.83	6.63	-95.66
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300017229511	0	39	-2.0	-107.85	347.23	6.81	-101.04
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017229583	0	36	-2.0	-91.56	342.07	6.83	-84.73
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300017229584	0	40	-2.0	-100.38	349.08	6.14	-94.24
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017229585	0	37	-2.0	-121.51	333.27	4.24	-117.27
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017229586	0	40	-2.0	-101.57	356.01	7.49	-94.08
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017229587	0	36	-2.0	-94.11	331.79	6.48	-87.63
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017229588	0	42	-2.0	-97.40	368.06	7.78	-89.62
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017229589	0	36	-2.0	-96.10	326.94	6.18	-89.92
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017229590	0	39	-2.0	-99.01	346.66	6.97	-92.04
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300017229591	0	40	-2.0	-102.43	351.76	6.26	-96.17
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017229592	0	40	-2.0	-95.89	355.56	6.47	-89.42
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017229593	0	40	-2.0	-102.07	361.78	6.53	-95.54
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017229594	0	36	-2.0	-98.16	323.28	6.04	-92.12
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017229595	0	36	-2.0	-99.50	336.96	6.59	-92.91
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300017229596	0	39	-2.0	-101.57	346.56	6.82	-94.75
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017229597	0	44	-2.0	-96.50	388.21	7.61	-88.89
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017229598	0	36	-2.0	-97.27	329.47	6.07	-91.20
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300017229599	0	42	-2.0	-100.35	361.97	7.37	-92.98
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017229600	0	38	-2.0	-98.93	352.68	6.86	-92.07
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300017229601	0	40	-2.0	-98.15	364.79	6.97	-91.18
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017229602	0	36	-2.0	-98.55	340.70	6.68	-91.87
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300017229603	0	39	-2.0	-98.15	349.32	6.84	-91.31
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300017229604	0	39	-2.0	-96.10	342.99	6.72	-89.38
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300017229605	0	39	-2.0	-104.11	356.26	7.46	-96.65
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300017229606	0	39	-2.0	-95.78	355.71	7.14	-88.64
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300017229607	0	39	-2.0	-95.29	342.18	6.93	-88.36
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300017229608	0	40	-2.0	-99.61	356.85	6.50	-93.11
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017229609	0	40	-2.0	-95.99	365.60	6.66	-89.33
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017229610	0	38	-2.0	-96.50	344.57	7.90	-88.60
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017229611	0	33	-2.0	-99.34	317.17	5.33	-94.01
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017229612	0	39	-2.0	-110.22	346.66	6.96	-103.26
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017229613	0	38	-2.0	-126.03	351.05	7.27	-118.76
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300017229614	0	48	-2.0	-101.18	377.13	8.54	-92.64
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017229615	0	38	-2.0	-109.72	348.66	8.06	-101.66
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017229616	0	45	-2.0	-108.65	378.00	8.21	-100.44
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300017229617	0	39	-2.0	-106.59	358.21	7.24	-99.35
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300017229618	0	39	-2.0	-105.18	349.41	6.86	-98.32
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017229619	0	42	-2.0	-120.96	365.43	8.31	-112.65
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017229737	0	36	-2.0	-96.80	334.24	6.10	-90.70
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC	REAL300017229739	0	47	-2.0	-99.73	401.35	6.87	-92.86
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300017229740	0	40	-2.0	-96.56	349.11	6.17	-90.39
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017229741	0	36	-2.0	-117.70	325.11	6.14	-111.56
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017229756	0	38	-3.0	-182.37	352.91	6.75	-175.62
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300017229757	0	40	-2.0	-101.22	347.97	5.53	-95.69
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017229758	0	36	-3.0	-180.08	327.08	4.95	-175.13
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017229758	1	37	-2.0	-98.41	328.65	4.21	-94.20
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017229759	0	35	-2.0	-111.72	320.66	4.32	-107.40
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)NN=C1C(=O)[O-]	REAL300017229760	0	36	-2.0	-129.43	310.67	3.82	-125.61
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300017229761	0	39	-2.0	-97.96	336.45	6.65	-91.31
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017229762	0	33	-2.0	-92.43	320.78	5.05	-87.38
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017229802	0	40	-2.0	-95.55	368.26	6.74	-88.81
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017229809	0	34	-2.0	-89.05	326.66	5.45	-83.60
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017229868	0	36	-2.0	-117.61	329.64	6.18	-111.43
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017229869	0	36	-2.0	-104.61	335.29	6.29	-98.32
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=N[N-]1	REAL300017229899	1	39	-2.0	-97.26	355.09	3.38	-93.88
CCCN(CCC(=O)[O-])S(=O)(=O)C1=N[N-]C(C(=O)OCC)=C1	REAL300017229899	1	39	-2.0	-97.24	355.19	3.37	-93.87
CCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017229979	0	43	-2.0	-107.01	367.38	7.93	-99.08
CCCN(CCC(=O)[O-])S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300017229992	0	39	-2.0	-111.21	339.19	5.78	-105.43
CCN1C=C(S(=O)(=O)NCC2=CC(C(=O)[O-])=CC=N2)C=C1C(=O)[O-]	REAL300017229998	0	37	-2.0	-107.10	346.48	4.02	-103.08
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC(C(=O)[O-])=CC=N1	REAL300017229999	0	42	-2.0	-100.61	372.29	5.91	-94.70
O=C([O-])C1=CC=NC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=C1	REAL300017230000	0	43	-2.0	-101.83	374.06	6.48	-95.35
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240256	0	35	-2.0	-100.94	307.88	5.86	-95.08
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1Br	REAL300017240257	0	32	-2.0	-95.45	315.59	6.00	-89.45
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240258	0	39	-2.0	-93.10	355.88	4.09	-89.01
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240259	0	40	-2.0	-100.98	355.75	6.50	-94.48
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240260	0	39	-2.0	-102.31	346.59	5.98	-96.33
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1CC(=O)[O-]	REAL300017240261	0	39	-2.0	-100.98	349.81	5.66	-95.32
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017240262	0	38	-2.0	-97.98	320.08	6.42	-91.56
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240263	0	36	-2.0	-98.86	314.47	4.03	-94.83
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC(C(=O)[O-])=C1OC	REAL300017240264	0	40	-2.0	-99.98	357.07	5.38	-94.60
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2)C1	REAL300017240265	0	43	-2.0	-92.18	375.62	6.65	-85.53
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017240266	0	39	-2.0	-104.55	348.48	6.51	-98.04
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(Br)S1	REAL300017240267	0	29	-2.0	-99.24	299.24	4.78	-94.46
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CS1	REAL300017240268	0	29	-2.0	-124.16	291.61	4.38	-119.78
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017240269	0	32	-2.0	-104.12	296.72	4.49	-99.63
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC2=C1OCCO2	REAL300017240270	0	38	-2.0	-103.71	341.92	5.29	-98.42
O=C([O-])CCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1F	REAL300017240271	0	42	-2.0	-108.19	379.56	6.61	-101.58
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1Cl	REAL300017240272	0	36	-2.0	-101.98	346.27	6.24	-95.74
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1OCC(=O)[O-]	REAL300017240273	0	39	-2.0	-106.83	350.97	6.35	-100.48
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1OCCCC(=O)[O-]	REAL300017240274	0	45	-2.0	-104.63	393.42	7.28	-97.35
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC(Cl)=C1Cl	REAL300017240275	0	32	-2.0	-91.96	326.44	6.42	-85.54
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240276	0	32	-2.0	-90.30	322.26	6.36	-83.94
O=C([O-])C1=CC(Br)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)S1	REAL300017240277	0	29	-2.0	-92.81	306.90	5.43	-87.38
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C)=C1C(=O)[O-]	REAL300017240278	0	38	-2.0	-110.46	324.34	6.60	-103.86
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240279	0	35	-2.0	-98.57	302.59	5.82	-92.75
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240280	0	32	-2.0	-101.71	320.06	6.18	-95.53
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240281	0	32	-2.0	-100.93	305.17	5.64	-95.29
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(Cl)=C1	REAL300017240282	0	32	-2.0	-94.77	305.39	5.83	-88.94
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1F	REAL300017240283	0	32	-2.0	-114.62	304.34	5.40	-109.22
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240284	0	35	-2.0	-101.90	316.61	6.25	-95.65
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC(Cl)=C1F	REAL300017240285	0	32	-2.0	-94.28	319.47	6.10	-88.18
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC(F)=C1Cl	REAL300017240286	0	32	-2.0	-91.57	317.12	6.01	-85.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1F	REAL300017240287	0	35	-2.0	-95.30	323.18	6.23	-89.07
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300017240356	0	32	-2.0	-91.28	319.21	6.30	-84.98
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240357	0	36	-2.0	-103.20	324.28	5.21	-97.99
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1O	REAL300017240358	0	33	-2.0	-100.03	308.14	3.57	-96.46
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240359	0	36	-2.0	-109.46	331.41	6.65	-102.81
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240360	0	32	-2.0	-94.28	307.90	5.97	-88.31
O=C([O-])CCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240361	0	38	-2.0	-95.86	342.99	7.09	-88.77
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240362	0	32	-2.0	-95.07	303.58	5.63	-89.44
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240363	0	35	-2.0	-96.49	321.59	6.29	-90.20
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017240364	0	36	-2.0	-104.02	326.63	5.60	-98.42
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240365	0	36	-2.0	-96.75	330.49	5.79	-90.96
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1F	REAL300017240366	0	36	-2.0	-103.70	336.46	5.77	-97.93
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(F)=C1	REAL300017240367	0	32	-2.0	-95.78	302.82	5.60	-90.18
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1Cl	REAL300017240368	0	32	-2.0	-110.58	312.31	5.76	-104.82
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240369	0	35	-2.0	-102.72	320.23	6.06	-96.66
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017240370	0	40	-2.0	-96.02	363.16	6.91	-89.11
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240371	0	32	-2.0	-93.58	306.92	5.49	-88.09
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC(C(=O)[O-])=C1C	REAL300017240372	0	38	-2.0	-115.85	336.10	6.58	-109.27
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240373	0	34	-2.0	-102.40	328.11	6.02	-96.38
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(Cl)C=C1C(=O)[O-]	REAL300017240374	0	36	-2.0	-113.87	333.90	5.78	-108.09
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1Br	REAL300017240375	0	32	-2.0	-109.66	316.05	5.86	-103.80
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC(C(=O)[O-])=C1F	REAL300017240376	0	35	-2.0	-114.19	324.36	6.06	-108.13
CC1=CC(F)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017240377	0	35	-2.0	-104.59	322.28	5.95	-98.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1Cl	REAL300017240378	0	35	-2.0	-94.92	324.20	6.41	-88.51
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC(C(=O)[O-])=C1Cl	REAL300017240379	0	35	-2.0	-111.62	330.75	6.36	-105.26
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240380	0	35	-2.0	-97.59	322.20	6.32	-91.27
COC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017240381	0	36	-2.0	-114.50	334.55	5.79	-108.71
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(OC(F)(F)F)=C1	REAL300017240382	0	36	-2.0	-96.89	342.81	5.71	-91.18
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300017240383	0	34	-2.0	-91.31	316.89	7.26	-84.05
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)S1	REAL300017240384	0	29	-2.0	-95.03	292.00	4.64	-90.39
O=C([O-])CC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240385	0	35	-2.0	-112.09	321.52	6.30	-105.79
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017240386	0	34	-2.0	-103.58	325.90	6.63	-96.95
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C)=C1CC(=O)[O-]	REAL300017240387	0	44	-2.0	-114.67	357.88	7.92	-106.75
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300017240388	0	34	-2.0	-120.28	314.92	7.02	-113.26
CC(C)(C)C1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017240389	0	41	-2.0	-107.01	351.27	7.69	-99.32
CC1=C(Cl)C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017240390	0	35	-2.0	-94.58	332.63	6.64	-87.94
CC1=C(F)C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017240391	0	35	-2.0	-93.87	324.01	6.25	-87.62
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300017240392	0	38	-2.0	-103.81	339.31	7.68	-96.13
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(F)C(F)=C1F	REAL300017240506	0	32	-2.0	-90.26	313.52	5.67	-84.59
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1OC	REAL300017240508	0	43	-2.0	-106.42	377.97	5.98	-100.44
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240509	0	36	-2.0	-101.85	326.31	5.21	-96.64
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1F	REAL300017240510	0	32	-2.0	-114.19	301.77	5.60	-108.59
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240525	0	34	-3.0	-172.87	328.09	5.96	-166.91
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240526	0	36	-2.0	-101.31	323.55	4.54	-96.77
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240527	0	32	-3.0	-174.46	303.75	4.21	-170.25
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240527	1	33	-2.0	-106.04	305.75	3.13	-102.91
O=C([O-])C1=CC=NC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240528	0	31	-2.0	-101.65	294.88	3.69	-97.96
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C(=O)[O-])=NN1	REAL300017240529	0	32	-2.0	-130.33	292.09	3.31	-127.02
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017240530	0	35	-2.0	-97.74	310.25	6.02	-91.72
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(Cl)O1	REAL300017240531	0	29	-2.0	-100.28	297.56	4.31	-95.97
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1OC(F)(F)F	REAL300017240573	0	36	-2.0	-96.97	343.12	6.08	-90.89
O=C([O-])[C@]12C[C@H]1CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300017240580	0	30	-2.0	-96.09	308.67	4.47	-91.62
O=C([O-])C1=C(F)C=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1F	REAL300017240640	0	32	-2.0	-114.61	306.23	5.63	-108.98
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC(F)=C1F	REAL300017240641	0	32	-2.0	-94.08	309.59	5.66	-88.42
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017240670	1	35	-2.0	-114.46	328.16	2.46	-112.00
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=N[N-]1	REAL300017240670	1	35	-2.0	-114.31	328.26	2.46	-111.85
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2C1	REAL300017240744	0	39	-2.0	-104.90	343.17	7.20	-97.70
CCC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017240756	0	35	-2.0	-119.45	319.17	5.04	-114.41
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017240761	0	41	-2.0	-122.51	340.94	5.89	-116.62
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240762	0	46	-2.0	-121.06	363.65	7.10	-113.96
CC1(C)CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)(C(=O)[O-])C1	REAL300017240763	0	47	-2.0	-125.44	368.19	7.70	-117.74
CC1(C)CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)(C(=O)[O-])C1	REAL300017240764	0	44	-2.0	-124.31	354.76	6.92	-117.39
CC1(C)CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)(C(=O)[O-])C1	REAL300017240766	0	37	-2.0	-112.01	326.01	5.75	-106.26
CC1(C)CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)(C(=O)[O-])C1	REAL300017240767	0	37	-2.0	-99.05	325.15	6.09	-92.96
CC1(C)CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)(C(=O)[O-])C1	REAL300017240768	0	37	-2.0	-127.63	312.53	5.69	-121.94
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017240769	0	40	-2.0	-102.50	328.72	6.20	-96.30
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)(C(=O)[O-])C1	REAL300017240770	0	37	-2.0	-102.80	312.48	5.69	-97.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1C	REAL300017240771	0	43	-2.0	-132.70	341.64	6.88	-125.82
CC1(C)CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])S2)(C(=O)[O-])C1	REAL300017240772	0	37	-2.0	-109.46	326.72	5.59	-103.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240773	0	40	-2.0	-129.26	322.03	6.32	-122.94
CC1(C)CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)(C(=O)[O-])C1	REAL300017240774	0	34	-2.0	-100.40	305.30	4.67	-95.73
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240775	0	43	-2.0	-129.21	340.64	7.12	-122.09
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017240776	0	38	-2.0	-121.17	319.64	5.04	-116.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C1	REAL300017240777	0	37	-2.0	-108.75	321.22	5.32	-103.43
CC1=C(C(=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=C(C)O1	REAL300017240778	0	40	-2.0	-145.36	322.62	5.66	-139.70
CC1(C)CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)(C(=O)[O-])C1	REAL300017240779	0	37	-2.0	-111.26	330.72	5.64	-105.62
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(C)(C)C1	REAL300017240780	0	40	-2.0	-109.37	321.94	5.86	-103.51
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C1C(=O)[O-]	REAL300017240781	0	43	-2.0	-102.59	347.02	6.86	-95.73
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)=CC=C1C(=O)[O-]	REAL300017240782	0	40	-2.0	-102.07	328.51	6.22	-95.85
CC1(C)CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)(C(=O)[O-])C1	REAL300017240783	0	40	-2.0	-102.63	342.80	6.50	-96.13
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)C(=O)N(C)C1=O	REAL300017240791	1	40	-2.0	-129.33	334.51	4.14	-125.19
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)C(C(F)(F)F)=N1	REAL300017240824	1	37	-2.0	-126.32	320.62	3.98	-122.34
CC1(C)CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])(C(=O)[O-])C1	REAL300017240826	1	36	-2.0	-125.46	325.54	7.16	-118.30
CC1(C)CC([N-]S(=O)(=O)C2=C(F)C=CS2)(C(=O)[O-])C1	REAL300017240828	1	31	-2.0	-136.25	284.85	4.39	-131.86
CC1(C)CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)(C(=O)[O-])C1	REAL300017240857	1	34	-2.0	-122.64	304.73	5.45	-117.19
CC1(C)CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)(C(=O)[O-])C1	REAL300017240862	0	34	-2.0	-142.15	295.76	5.56	-136.59
CC1(C)CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)(C(=O)[O-])C1	REAL300017240889	1	34	-2.0	-132.70	298.53	5.40	-127.30
CC1(C)CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)(C(=O)[O-])C1	REAL300017240904	1	37	-2.0	-127.64	323.43	5.77	-121.87
CC1(C)CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)(C(=O)[O-])C1	REAL300017240905	1	37	-2.0	-137.07	341.92	7.24	-129.83
CC1(C)CC([N-]S(=O)(=O)C2=CNN=C2Cl)(C(=O)[O-])C1	REAL300017240912	1	31	-2.0	-123.19	283.93	2.06	-121.13
CC1(C)CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)(C(=O)[O-])C1	REAL300017240914	1	31	-2.0	-131.12	293.15	4.85	-126.27
CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)C(F)=C1	REAL300017240941	1	37	-2.0	-141.59	317.16	6.23	-135.36
CC1(C)CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)(C(=O)[O-])C1	REAL300017240948	1	34	-2.0	-132.40	308.84	5.86	-126.54
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)S1	REAL300017240953	1	37	-2.0	-102.53	325.39	1.47	-101.06
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(C)(C)C2)C=C(C(=O)[O-])S1	REAL300017240955	0	37	-2.0	-117.95	324.64	5.08	-112.87
CC1(C)CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)(C(=O)[O-])C1	REAL300017240974	1	31	-2.0	-121.91	310.41	5.45	-116.46
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC(C)(C)C1	REAL300017240983	1	40	-2.0	-146.59	340.25	3.91	-142.68
CC1(C([N-]S(=O)(=O)C2=CC(Br)=C(C#N)C=C2F)C(=O)[O-])CC1	REAL300017246248	1	32	-2.0	-118.14	326.91	5.08	-113.06
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)=C1F	REAL300017246254	1	37	-2.0	-133.64	344.98	5.87	-127.77
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)O1	REAL300017246277	1	37	-2.0	-129.85	334.61	4.14	-125.71
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)=C1F	REAL300017246295	1	37	-2.0	-135.15	338.50	5.45	-129.70
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)O1	REAL300017246367	1	34	-2.0	-122.79	320.47	2.92	-119.87
CC1(C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246369	0	33	-2.0	-151.53	299.88	6.41	-145.12
CC1(C([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C(=O)[O-])CC1	REAL300017246372	1	31	-2.0	-140.88	296.81	5.68	-135.20
CC1(C([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246380	0	33	-2.0	-131.25	327.89	7.43	-123.82
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)O1	REAL300017246393	1	37	-2.0	-129.06	338.58	4.48	-124.58
CC1(C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C(=O)[O-])CC1	REAL300017246398	1	34	-2.0	-129.39	317.13	6.19	-123.20
CC1(C([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246399	1	33	-2.0	-135.01	315.52	6.75	-128.26
CC1(C([N-]S(=O)(=O)C2=C(Br)C=CS2)C(=O)[O-])CC1	REAL300017246402	1	28	-2.0	-133.63	289.49	4.34	-129.29
CC1(C([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)C(=O)[O-])CC1	REAL300017246407	1	30	-2.0	-123.22	306.79	4.05	-119.17
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)C([N+](=O)[O-])=N1	REAL300017246411	1	36	-2.0	-138.95	325.85	5.44	-133.51
CC1(C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246412	1	33	-2.0	-139.50	314.29	5.53	-133.97
CC1(C([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246415	1	33	-2.0	-137.26	315.42	6.76	-130.50
CC1(C(NS(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)C(=O)[O-])CC1	REAL300017246417	1	39	-2.0	-107.53	356.27	1.28	-106.25
CC1(C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246435	1	33	-2.0	-143.73	306.22	6.93	-136.80
CCCCCCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)C(=O)NC1=O	REAL300017246457	1	49	-2.0	-135.18	417.16	4.88	-130.30
CC1(C([N-]S(=O)(=O)C2=CC=C(Br)O2)C(=O)[O-])CC1	REAL300017246463	1	28	-2.0	-122.92	285.31	2.84	-120.08
CC1(C([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)C(=O)[O-])CC1	REAL300017246465	1	28	-2.0	-117.00	308.40	4.37	-112.63
CC1(C([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C(=O)[O-])CC1	REAL300017246480	0	32	-2.0	-133.22	303.00	5.38	-127.84
CC1(C([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C(=O)[O-])CC1	REAL300017246499	1	30	-2.0	-113.50	306.36	3.32	-110.18
CC1(C([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C(=O)[O-])CC1	REAL300017246525	1	31	-2.0	-124.72	308.87	5.83	-118.89
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)C(F)=C1	REAL300017246553	1	35	-2.0	-140.37	315.16	4.31	-136.06
CC1(C([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C(=O)[O-])CC1	REAL300017246568	1	31	-2.0	-135.08	281.63	4.82	-130.26
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246585	0	37	-2.0	-96.31	332.13	5.69	-90.62
CC1(C(NS(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246586	0	34	-2.0	-114.56	322.06	5.31	-109.25
CC1(C(NS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(=O)[O-])CC1	REAL300017246587	0	41	-2.0	-97.80	362.29	3.41	-94.39
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246588	0	42	-2.0	-99.99	356.97	6.21	-93.78
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246589	0	41	-2.0	-102.19	350.71	5.48	-96.71
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1CC(=O)[O-]	REAL300017246590	0	41	-2.0	-103.58	356.29	4.96	-98.62
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(=O)[O-]	REAL300017246591	0	40	-2.0	-103.16	345.73	6.47	-96.69
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246592	0	38	-2.0	-103.98	335.55	3.67	-100.31
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC(C(=O)[O-])=C1OC	REAL300017246593	0	42	-2.0	-101.75	364.14	4.64	-97.11
CC1(C(NS(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C(=O)[O-])CC1	REAL300017246594	0	45	-2.0	-95.74	382.68	5.88	-89.86
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(=O)[O-]	REAL300017246595	0	41	-2.0	-126.90	357.09	5.85	-121.05
CC1(C(NS(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246596	0	31	-2.0	-100.65	309.32	4.27	-96.38
CC1(C(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246597	0	31	-2.0	-99.64	297.75	3.88	-95.76
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C(C(=O)[O-])O1	REAL300017246598	0	34	-2.0	-99.54	315.06	4.05	-95.49
CC1(C(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246599	0	40	-2.0	-107.17	350.15	4.65	-102.52
CC1(C(NS(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C(=O)[O-])CC1	REAL300017246600	0	44	-2.0	-99.60	385.56	6.08	-93.52
CC1(C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C(=O)[O-])CC1	REAL300017246601	0	38	-2.0	-101.05	355.07	5.69	-95.36
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1OCC(=O)[O-]	REAL300017246602	0	41	-2.0	-100.20	356.97	5.82	-94.38
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC=C1OCCCC(=O)[O-]	REAL300017246603	0	47	-2.0	-101.92	401.55	6.80	-95.12
CC1(C(NS(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246604	0	34	-2.0	-94.00	333.52	5.67	-88.33
CC1(C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C(=O)[O-])CC1	REAL300017246605	0	34	-2.0	-98.77	328.49	5.45	-93.32
CC1(C(NS(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C(=O)[O-])CC1	REAL300017246606	0	31	-2.0	-97.16	320.06	4.50	-92.66
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1C(=O)[O-]	REAL300017246607	0	40	-2.0	-113.97	345.58	6.30	-107.67
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246608	0	37	-2.0	-98.62	326.35	5.81	-92.81
CC1(C(NS(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246609	0	34	-2.0	-109.98	327.13	5.44	-104.54
CC1(C(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246610	0	34	-2.0	-108.71	312.25	4.89	-103.82
CC1(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C(=O)[O-])CC1	REAL300017246611	0	34	-2.0	-102.21	315.81	5.38	-96.83
CC1(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C(=O)[O-])CC1	REAL300017246612	0	34	-2.0	-102.15	312.45	4.92	-97.23
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246613	0	37	-2.0	-96.72	340.56	6.06	-90.66
CC1(C(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246614	0	34	-2.0	-95.66	326.55	5.35	-90.31
CC1(C(NS(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246615	0	34	-2.0	-93.40	324.20	5.27	-88.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1F	REAL300017246616	0	37	-2.0	-102.90	327.22	5.14	-97.76
CC1(C([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300017246640	1	34	-2.0	-139.52	306.94	5.15	-134.37
CC1(C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C(=O)[O-])CC1	REAL300017246687	0	34	-2.0	-94.54	336.69	5.88	-88.66
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246688	0	38	-2.0	-104.96	325.51	4.90	-100.06
CC1(C(NS(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246689	0	35	-2.0	-119.54	314.60	2.87	-116.67
CC1(C(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C(=O)[O-])CC1	REAL300017246690	0	38	-2.0	-103.42	339.44	6.18	-97.24
CC1(C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C(=O)[O-])CC1	REAL300017246691	0	34	-2.0	-95.92	327.32	5.68	-90.24
CC1(C(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C(=O)[O-])CC1	REAL300017246692	0	40	-2.0	-100.92	351.54	6.47	-94.45
CC1(C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(=O)[O-])CC1	REAL300017246693	0	34	-2.0	-101.56	306.95	4.52	-97.04
CC1(C(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(=O)[O-])CC1	REAL300017246694	0	37	-2.0	-102.66	327.99	5.61	-97.05
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(=O)[O-]	REAL300017246695	0	38	-2.0	-107.22	335.24	4.94	-102.28
CC1(C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(=O)[O-])CC1	REAL300017246696	0	38	-2.0	-100.52	339.07	5.17	-95.35
CC1(C(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C(=O)[O-])CC1	REAL300017246697	0	38	-2.0	-102.13	343.12	5.17	-96.96
CC1(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C(=O)[O-])CC1	REAL300017246698	0	34	-2.0	-105.34	314.42	5.04	-100.30
CC1(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C(=O)[O-])CC1	REAL300017246699	0	34	-2.0	-98.29	318.28	5.22	-93.07
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246700	0	37	-2.0	-129.82	326.52	5.16	-124.66
CC1(C(NS(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C(=O)[O-])CC1	REAL300017246701	0	42	-2.0	-101.02	371.72	6.30	-94.72
CC1(C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(=O)[O-])CC1	REAL300017246702	0	34	-2.0	-98.49	313.16	4.58	-93.91
CC1(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(=O)[O-])CC1	REAL300017246702	1	33	-3.0	-195.64	317.39	5.44	-190.20
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC(C(=O)[O-])=C1C	REAL300017246703	0	40	-2.0	-104.45	343.31	6.03	-98.42
CC1(C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246704	0	36	-2.0	-92.21	334.03	5.50	-86.71
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C(Cl)C=C1C(=O)[O-]	REAL300017246705	0	38	-2.0	-101.00	351.26	5.58	-95.42
CC1(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C(=O)[O-])CC1	REAL300017246706	0	34	-2.0	-98.25	324.16	5.36	-92.89
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC(C(=O)[O-])=C1F	REAL300017246707	0	37	-2.0	-118.48	330.65	5.48	-113.00
CC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(=O)[O-]	REAL300017246708	0	37	-2.0	-103.70	330.21	5.26	-98.44
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1Cl	REAL300017246709	0	37	-2.0	-107.86	345.03	6.02	-101.84
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=CC(C(=O)[O-])=C1Cl	REAL300017246710	0	37	-2.0	-116.25	337.04	5.78	-110.47
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246711	0	37	-2.0	-102.04	337.66	6.06	-95.98
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(=O)[O-]	REAL300017246712	0	38	-2.0	-110.38	343.31	5.45	-104.93
CC1(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C(=O)[O-])CC1	REAL300017246713	0	38	-2.0	-101.61	343.21	5.25	-96.36
CC1(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246714	0	36	-2.0	-92.71	320.23	6.14	-86.57
CC1(C(NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(=O)[O-])CC1	REAL300017246715	0	31	-2.0	-108.02	305.68	4.00	-104.02
CC1(C(NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246716	0	37	-2.0	-104.58	327.96	5.60	-98.98
CC1(C(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246717	0	36	-2.0	-120.70	332.36	5.91	-114.79
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C)=C1CC(=O)[O-]	REAL300017246718	0	46	-2.0	-101.80	367.69	7.62	-94.18
CC1(C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246719	0	36	-2.0	-119.54	335.41	6.78	-112.76
CC(C)(C)C1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C(C(=O)[O-])S1	REAL300017246720	0	43	-2.0	-121.32	360.64	6.69	-114.63
CC1=C(Cl)C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(=O)[O-]	REAL300017246721	0	37	-2.0	-96.08	335.71	5.78	-90.30
CC1=C(F)C=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C1C(=O)[O-]	REAL300017246722	0	37	-2.0	-95.33	327.01	5.40	-89.93
CC1(C(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246723	0	40	-2.0	-126.65	346.75	6.95	-119.70
COC(=O)C1=COC(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)=C1	REAL300017246730	1	34	-2.0	-125.09	320.90	2.87	-122.22
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)SC=N1	REAL300017246762	0	33	-2.0	-127.39	321.14	1.88	-125.51
CC1(C([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C(=O)[O-])CC1	REAL300017246772	1	31	-2.0	-141.73	293.23	5.54	-136.19
CC1(C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C(=O)[O-])CC1	REAL300017246777	1	30	-2.0	-129.23	292.70	4.13	-125.10
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)=C(Br)N1C	REAL300017246809	1	34	-2.0	-145.69	318.88	4.15	-141.54
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)=N1	REAL300017246830	0	33	-2.0	-142.78	308.02	3.11	-139.67
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)=C1F	REAL300017246835	1	35	-2.0	-139.01	322.65	4.91	-134.10
CC1(C(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(=O)[O-])CC1	REAL300017246840	0	34	-2.0	-98.09	317.63	4.61	-93.48
CC1(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C(=O)[O-])CC1	REAL300017246840	1	33	-3.0	-182.50	325.57	4.82	-177.68
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1OC	REAL300017246842	0	45	-2.0	-106.17	377.84	5.70	-100.47
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246843	0	38	-2.0	-105.82	328.26	4.71	-101.11
CC1(C(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C(=O)[O-])CC1	REAL300017246844	0	34	-2.0	-127.90	305.04	4.48	-123.42
CC1(C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246859	0	36	-3.0	-197.58	341.86	5.44	-192.14
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017246860	0	38	-2.0	-125.76	329.66	3.82	-121.94
CC1(C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C(=O)[O-])CC1	REAL300017246861	0	34	-3.0	-201.39	306.87	4.13	-197.26
CC1(C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C(=O)[O-])CC1	REAL300017246861	1	35	-2.0	-102.47	321.15	2.63	-99.84
CC1(C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(=O)[O-])CC1	REAL300017246862	0	33	-2.0	-99.25	305.35	3.40	-95.85
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C(C(=O)[O-])=NN1	REAL300017246863	0	34	-2.0	-112.38	298.74	2.71	-109.67
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1(C)CC1	REAL300017246864	0	37	-2.0	-101.80	331.52	5.67	-96.13
CC1(C(NS(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246865	0	31	-2.0	-101.67	299.67	3.40	-98.27
CC1(C([N-]S(=O)(=O)C2=C(Br)C=CO2)C(=O)[O-])CC1	REAL300017246868	0	28	-2.0	-125.24	282.69	2.80	-122.44
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1(C)CC1	REAL300017246880	1	35	-2.0	-138.69	310.15	5.17	-133.52
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)=C1	REAL300017246903	0	34	-2.0	-121.65	328.47	4.09	-117.56
CC1(C(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246906	0	38	-2.0	-98.73	349.59	5.38	-93.35
CC1(C([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C(=O)[O-])CC1	REAL300017246911	1	34	-2.0	-137.04	310.37	3.34	-133.70
CC1(C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])CC1	REAL300017246913	0	32	-2.0	-109.99	311.21	3.95	-106.04
CC1(C(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)C(=O)[O-])CC1	REAL300017246973	0	34	-2.0	-128.77	309.69	4.53	-124.24
CC1(C(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C(=O)[O-])CC1	REAL300017246974	0	34	-2.0	-95.24	316.66	4.92	-90.32
CC1(C([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C(=O)[O-])CC1	REAL300017246983	0	31	-2.0	-126.28	310.73	5.03	-121.25
CC1(C([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C(=O)[O-])CC1	REAL300017246984	1	33	-2.0	-123.32	321.94	3.40	-119.92
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1(C)CC1	REAL300017246988	1	35	-2.0	-133.90	332.76	5.14	-128.76
CC1(C([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C(=O)[O-])CC1	REAL300017246991	1	31	-2.0	-125.26	297.38	5.30	-119.96
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)C(F)=C1	REAL300017248312	1	32	-2.0	-142.04	297.01	-0.39	-142.43
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017248323	1	27	-2.0	-125.42	284.18	-0.81	-126.23
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248344	0	34	-2.0	-101.22	309.77	1.21	-100.01
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248345	0	31	-2.0	-94.62	306.04	0.78	-93.84
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017248346	0	38	-2.0	-91.97	345.18	-1.20	-93.17
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248347	0	39	-2.0	-108.24	351.35	2.03	-106.21
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248348	0	38	-2.0	-99.56	338.14	0.86	-98.70
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1CC(=O)[O-]	REAL300017248349	0	38	-2.0	-106.22	344.67	0.41	-105.81
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(=O)[O-]	REAL300017248350	0	37	-2.0	-124.79	321.12	1.59	-123.20
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248351	0	35	-2.0	-124.86	314.26	-1.01	-125.87
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC(C(=O)[O-])=C1OC	REAL300017248352	0	39	-2.0	-98.27	347.07	0.03	-98.24
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)[O-]	REAL300017248353	0	42	-2.0	-98.87	369.72	1.90	-96.97
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(=O)[O-]	REAL300017248354	0	38	-2.0	-116.63	337.85	1.19	-115.44
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248355	0	28	-2.0	-97.60	300.71	0.19	-97.41
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248356	0	28	-2.0	-96.02	280.69	-0.73	-96.75
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C(C(=O)[O-])O1	REAL300017248357	0	31	-2.0	-103.35	295.69	-0.54	-103.89
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248358	0	37	-2.0	-102.97	330.94	-0.01	-102.98
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017248359	0	41	-2.0	-94.88	368.50	1.47	-93.41
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017248360	0	35	-2.0	-94.54	335.83	1.03	-93.51
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017248361	0	41	-2.0	-94.88	379.36	2.04	-92.84
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC=C1OCC(=O)[O-]	REAL300017248362	0	38	-2.0	-94.58	339.90	1.21	-93.37
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC=C1OCCCC(=O)[O-]	REAL300017248363	0	44	-2.0	-95.81	382.33	2.14	-93.67
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248364	0	31	-2.0	-90.50	317.50	1.14	-89.36
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017248365	0	31	-2.0	-97.29	319.19	1.39	-95.90
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017248366	0	28	-2.0	-91.59	297.89	0.12	-91.47
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(C)=C1C(=O)[O-]	REAL300017248367	0	37	-2.0	-105.91	323.03	2.21	-103.70
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248368	0	34	-2.0	-95.48	305.61	1.26	-94.22
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248369	0	31	-2.0	-113.66	314.21	1.43	-112.23
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248370	0	31	-2.0	-100.68	295.18	0.28	-100.40
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248371	0	34	-2.0	-97.64	320.57	2.10	-95.54
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017248372	0	31	-2.0	-90.34	303.00	0.86	-89.48
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017248373	0	31	-2.0	-95.48	293.23	0.25	-95.23
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248374	0	34	-2.0	-102.42	318.50	1.59	-100.83
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248375	0	31	-2.0	-98.29	313.60	1.36	-96.93
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248376	0	31	-2.0	-89.92	308.18	0.75	-89.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1F	REAL300017248377	0	34	-2.0	-104.17	316.85	1.06	-103.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1Br	REAL300017248378	0	34	-2.0	-104.92	325.60	1.67	-103.25
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017248444	0	31	-2.0	-100.13	316.52	1.33	-98.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248445	0	35	-2.0	-106.55	318.74	0.23	-106.32
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248446	0	32	-2.0	-98.99	297.52	-1.74	-100.73
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017248447	0	35	-2.0	-97.28	321.24	1.60	-95.68
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017248448	0	31	-2.0	-103.66	307.41	1.12	-102.54
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017248449	0	37	-2.0	-94.65	332.32	1.81	-92.84
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017248450	0	31	-2.0	-102.87	295.43	0.33	-102.54
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017248451	0	34	-2.0	-97.29	311.99	1.09	-96.20
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(=O)[O-]	REAL300017248452	0	35	-2.0	-103.71	316.00	0.28	-103.43
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017248453	0	35	-2.0	-94.79	320.87	0.59	-94.20
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017248454	0	35	-2.0	-96.17	326.02	0.56	-95.61
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)[O-]	REAL300017248455	0	31	-2.0	-90.71	296.49	0.43	-90.28
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017248456	0	31	-2.0	-102.33	306.67	0.67	-101.66
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248457	0	34	-2.0	-100.66	316.05	1.06	-99.60
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017248458	0	39	-2.0	-94.64	352.48	1.63	-93.01
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017248459	0	31	-2.0	-94.45	301.72	0.39	-94.06
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017248459	1	30	-3.0	-191.88	295.25	0.74	-191.14
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC(C(=O)[O-])=C1C	REAL300017248460	0	37	-2.0	-113.35	326.62	1.46	-111.89
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017248461	0	33	-2.0	-95.92	318.03	0.97	-94.95
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C(Cl)C=C1C(=O)[O-]	REAL300017248462	0	35	-2.0	-94.63	331.28	1.00	-93.63
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017248463	0	31	-2.0	-101.58	310.41	0.76	-100.82
CC1=C(Br)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(=O)[O-]	REAL300017248464	0	34	-2.0	-92.76	323.73	1.36	-91.40
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248465	0	34	-2.0	-102.81	322.67	1.68	-101.13
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC(C(=O)[O-])=C1F	REAL300017248466	0	34	-2.0	-97.93	314.65	0.95	-96.98
CC1=CC(F)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(=O)[O-]	REAL300017248467	0	34	-2.0	-105.44	316.46	1.07	-104.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1Cl	REAL300017248468	0	34	-2.0	-104.89	322.78	1.52	-103.37
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC(C(=O)[O-])=C1Cl	REAL300017248469	0	34	-2.0	-96.00	321.04	1.26	-94.74
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248470	0	34	-2.0	-97.51	316.01	1.99	-95.52
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(=O)[O-]	REAL300017248471	0	35	-2.0	-108.93	330.25	0.93	-108.00
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F)C(=O)[O-]	REAL300017248472	0	35	-2.0	-90.43	334.66	0.57	-89.86
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017248473	0	33	-2.0	-88.31	307.21	1.76	-86.55
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017248474	0	28	-2.0	-106.17	285.66	-0.03	-106.20
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017248475	0	34	-2.0	-99.94	310.96	0.99	-98.95
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248476	0	33	-2.0	-105.18	320.76	1.36	-103.82
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(C)=C1CC(=O)[O-]	REAL300017248477	0	43	-2.0	-107.87	350.56	3.01	-104.86
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(=O)[O-]	REAL300017248478	0	33	-2.0	-103.14	313.59	2.13	-101.01
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248479	0	40	-2.0	-110.00	338.27	2.04	-107.96
CC1=C(Cl)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(=O)[O-]	REAL300017248480	0	34	-2.0	-92.60	319.72	1.26	-91.34
CC1=C(F)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(=O)[O-]	REAL300017248481	0	34	-2.0	-91.46	309.95	0.79	-90.67
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248482	0	37	-2.0	-131.50	335.16	2.39	-129.11
COC(=O)C1=COC(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248489	1	31	-2.0	-124.54	292.16	-1.22	-125.76
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)SC=N1	REAL300017248515	0	30	-2.0	-130.19	292.45	-2.24	-132.43
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017248523	1	28	-2.0	-138.87	272.07	1.41	-137.46
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017248527	1	27	-2.0	-121.80	274.03	-0.53	-122.33
CC1=NC(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)=C(Br)N1C	REAL300017248560	1	31	-2.0	-136.94	292.86	-0.51	-137.45
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017248580	0	30	-2.0	-140.53	282.12	-0.92	-141.45
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)=C1F	REAL300017248584	1	32	-2.0	-131.38	303.97	0.25	-131.13
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017248588	0	31	-2.0	-93.16	303.82	0.41	-92.75
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017248588	1	30	-3.0	-186.52	299.64	0.76	-185.76
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1OC	REAL300017248590	0	42	-2.0	-118.70	371.96	1.48	-117.22
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248591	0	35	-2.0	-95.87	319.24	0.18	-95.69
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017248592	0	31	-2.0	-114.94	294.32	0.44	-114.50
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248608	0	33	-3.0	-180.66	321.31	1.37	-179.29
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248609	0	35	-2.0	-120.54	320.85	0.01	-120.53
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300017248610	0	31	-3.0	-179.02	296.10	-1.15	-180.17
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(=O)[O-]	REAL300017248610	1	32	-2.0	-118.50	302.11	-1.33	-119.83
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(=O)[O-]	REAL300017248611	0	30	-2.0	-104.11	286.03	-1.58	-105.69
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(C(=O)[O-])=NN1	REAL300017248612	0	31	-2.0	-128.47	279.18	-1.97	-130.44
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248613	0	34	-2.0	-110.13	309.92	1.10	-109.03
C[C@@H](O)[C@@H](NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248614	0	28	-2.0	-94.25	290.11	-0.76	-95.01
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017248617	0	25	-2.0	-125.31	259.11	-1.34	-126.65
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248628	1	32	-2.0	-139.88	295.48	0.50	-139.38
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248648	0	31	-2.0	-114.40	310.90	-0.58	-114.98
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248652	0	35	-2.0	-95.45	333.56	0.85	-94.60
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017248657	1	31	-2.0	-144.71	285.43	-0.29	-145.00
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300017248659	0	29	-2.0	-101.80	301.16	-0.55	-102.35
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017248715	0	31	-2.0	-99.55	298.17	0.33	-99.22
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017248716	0	31	-2.0	-91.80	300.64	0.40	-91.40
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300017248724	0	28	-2.0	-127.13	284.83	0.95	-126.18
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017248725	1	30	-2.0	-117.49	296.03	-0.67	-118.16
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248729	1	32	-2.0	-138.46	306.86	1.06	-137.40
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017248732	1	28	-2.0	-126.82	283.50	1.29	-125.53
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017248745	1	34	-2.0	-97.13	318.20	-2.65	-99.78
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=N[N-]1	REAL300017248745	1	34	-2.0	-97.01	318.30	-2.65	-99.66
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248753	1	32	-2.0	-127.45	302.94	1.02	-126.43
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017248760	1	25	-2.0	-114.00	277.36	0.13	-113.87
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300017248766	1	25	-2.0	-122.13	270.78	0.06	-122.07
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C(=O)[O-]	REAL300017248810	0	38	-2.0	-98.32	335.30	2.19	-96.13
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017248814	1	35	-2.0	-127.19	322.93	1.13	-126.06
CCC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C(C(=O)[O-])O1	REAL300017248822	0	34	-2.0	-103.33	315.67	0.26	-103.07
CCN1C=C(S(=O)(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017248828	0	47	-2.0	-119.61	399.30	8.20	-111.41
O=C([O-])C[C@H](CCC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017248831	0	43	-2.0	-116.15	369.20	8.04	-108.11
CC1=CC=C(S(=O)(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017248832	0	46	-2.0	-111.65	384.70	8.48	-103.17
O=C([O-])C[C@H](CCC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017248833	0	43	-2.0	-108.90	371.15	8.04	-100.86
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300017248834	0	43	-2.0	-100.38	385.79	8.03	-92.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CCC1=CC=CC=C1)CC(=O)[O-]	REAL300017248835	0	46	-2.0	-120.62	382.90	9.08	-111.54
O=C([O-])C[C@H](CCC1=CC=CC=C1)NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017248836	0	40	-2.0	-112.92	363.24	7.09	-105.83
CN1C=C(S(=O)(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017248837	0	44	-2.0	-118.11	377.98	7.35	-110.76
CC1=C(C(=O)[O-])SC(S(=O)(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300017248838	0	43	-2.0	-107.89	380.30	7.77	-100.12
CC1=C(C(=O)[O-])C(S(=O)(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])=C(C)O1	REAL300017248839	0	46	-2.0	-115.57	378.68	8.10	-107.47
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](CCC1=CC=CC=C1)CC(=O)[O-]	REAL300017248840	0	46	-2.0	-103.94	378.39	8.95	-94.99
CC1=CC(S(=O)(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])=CC=C1C(=O)[O-]	REAL300017248841	0	46	-2.0	-109.03	387.12	8.58	-100.45
CN1C=C(S(=O)(=O)[N-][C@@H](CCC2=CC=CC=C2)CC(=O)[O-])C(=O)N(C)C1=O	REAL300017248846	1	46	-2.0	-138.09	390.68	6.51	-131.58
O=C([O-])C[C@H](CCC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300017248872	1	37	-2.0	-129.99	342.60	6.55	-123.44
O=C([O-])C[C@H](CCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017248889	1	40	-2.0	-119.17	362.13	7.72	-111.45
O=C([O-])C[C@H](CCC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300017248891	0	40	-2.0	-136.10	351.49	7.79	-128.31
O=C([O-])C[C@H](CCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300017248906	1	40	-2.0	-128.77	356.32	7.59	-121.18
O=C([O-])C[C@H](CCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017248918	1	43	-2.0	-124.87	380.50	7.95	-116.92
O=C([O-])C[C@H](CCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300017248922	1	37	-2.0	-118.71	342.98	4.27	-114.44
O=C([O-])C[C@H](CCC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300017248924	1	37	-2.0	-126.98	352.30	6.96	-120.02
CC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CCC2=CC=CC=C2)CC(=O)[O-])C(F)=C1	REAL300017248933	1	43	-2.0	-130.55	377.84	8.09	-122.46
O=C([O-])C[C@H](CCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017248938	1	40	-2.0	-128.35	366.64	8.04	-120.31
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300017248941	1	43	-2.0	-110.28	384.31	3.84	-106.44
CC1=C(S(=O)(=O)N[C@@H](CCC2=CC=CC=C2)CC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017248945	0	43	-2.0	-116.30	377.92	8.26	-108.04
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CCC1=CC=CC=C1)CC(=O)[O-]	REAL300017248956	1	46	-2.0	-145.67	398.45	5.95	-139.72
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H](CCC1=CC=CC=C1)CC(=O)[O-]	REAL300017248976	1	44	-2.0	-129.44	382.00	7.91	-121.53
CC1=C(S(=O)(=O)[N-][C@@H](CCC2=CC=CC=C2)CC(=O)[O-])C(N)=NO1	REAL300017248989	1	41	-2.0	-110.55	354.36	4.54	-106.01
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273201	0	35	-2.0	-96.91	303.15	3.88	-93.03
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017273202	0	32	-2.0	-109.59	301.40	3.47	-106.12
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017273203	0	39	-2.0	-94.81	342.49	1.60	-93.21
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273204	0	40	-2.0	-99.42	346.97	4.26	-95.16
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273205	0	39	-2.0	-99.92	337.75	3.77	-96.15
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1CC(=O)[O-]	REAL300017273206	0	39	-2.0	-108.22	337.74	2.74	-105.48
CC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C(=O)[O-]	REAL300017273207	0	38	-2.0	-102.48	310.91	4.36	-98.12
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273208	0	36	-2.0	-102.71	306.57	1.92	-100.79
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC(C(=O)[O-])=C1OC	REAL300017273209	0	40	-2.0	-102.67	343.56	2.80	-99.87
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017273210	0	43	-2.0	-94.45	363.48	4.02	-90.43
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C(=O)[O-]	REAL300017273211	0	39	-2.0	-122.06	336.17	3.57	-118.49
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017273212	0	29	-2.0	-98.05	284.69	1.79	-96.26
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C(C(=O)[O-])O1	REAL300017273213	0	32	-2.0	-100.65	288.85	2.33	-98.32
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017273214	0	38	-2.0	-116.43	328.26	2.81	-113.62
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017273215	0	42	-2.0	-93.73	367.02	3.85	-89.88
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017273216	0	36	-2.0	-97.05	334.28	3.42	-93.63
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC=C1OCC(=O)[O-]	REAL300017273217	0	39	-2.0	-97.90	338.46	3.59	-94.31
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC=C1OCCCC(=O)[O-]	REAL300017273218	0	45	-2.0	-94.74	380.91	4.52	-90.22
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017273219	0	32	-2.0	-94.23	312.92	3.83	-90.40
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017273220	0	32	-2.0	-93.29	311.09	4.15	-89.14
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C(C)=C1C(=O)[O-]	REAL300017273221	0	38	-2.0	-112.96	316.03	4.46	-108.50
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273222	0	35	-2.0	-98.36	295.10	3.85	-94.51
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017273223	0	32	-2.0	-105.63	306.45	3.60	-102.03
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017273224	0	32	-2.0	-104.20	291.56	3.05	-101.15
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017273225	0	32	-2.0	-95.30	295.94	3.68	-91.62
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017273226	0	32	-2.0	-104.65	291.53	2.64	-102.01
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273227	0	35	-2.0	-97.76	311.93	4.28	-93.48
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017273228	0	32	-2.0	-95.79	305.95	3.51	-92.28
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017273229	0	32	-2.0	-93.38	303.61	3.43	-89.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1F	REAL300017273230	0	35	-2.0	-98.98	313.13	3.90	-95.08
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017273302	0	32	-2.0	-94.34	308.48	4.07	-90.27
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273303	0	36	-2.0	-104.18	315.33	3.02	-101.16
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017273304	0	33	-2.0	-106.26	295.64	0.63	-105.63
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017273305	0	36	-2.0	-99.56	317.51	4.31	-95.25
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017273306	0	32	-2.0	-96.93	298.16	3.75	-93.18
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017273307	0	38	-2.0	-99.34	329.65	4.60	-94.74
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017273308	0	32	-2.0	-97.77	292.63	3.29	-94.48
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017273309	0	35	-2.0	-102.02	308.25	3.80	-98.22
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C(=O)[O-]	REAL300017273310	0	36	-2.0	-112.67	314.05	2.64	-110.03
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017273311	0	36	-2.0	-98.78	317.14	3.30	-95.48
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017273312	0	36	-2.0	-99.63	324.40	2.95	-96.68
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017273313	0	32	-2.0	-96.91	292.61	3.30	-93.61
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017273314	0	32	-2.0	-100.87	299.56	3.00	-97.87
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273315	0	35	-2.0	-115.05	312.46	3.88	-111.17
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017273316	0	40	-2.0	-98.06	349.77	4.42	-93.64
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017273317	0	32	-2.0	-92.84	298.91	3.36	-89.48
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC(C(=O)[O-])=C1C	REAL300017273318	0	38	-2.0	-103.84	317.78	4.01	-99.83
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017273319	0	34	-2.0	-98.64	313.35	3.65	-94.99
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C(Cl)C=C1C(=O)[O-]	REAL300017273320	0	36	-2.0	-100.53	323.18	3.76	-96.77
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017273321	0	32	-2.0	-99.96	303.27	3.10	-96.86
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC(C(=O)[O-])=C1F	REAL300017273322	0	35	-2.0	-113.55	310.00	3.63	-109.92
CC1=CC(F)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C(=O)[O-]	REAL300017273323	0	35	-2.0	-100.01	312.52	3.91	-96.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1Cl	REAL300017273324	0	35	-2.0	-98.41	314.69	4.23	-94.18
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=CC(C(=O)[O-])=C1Cl	REAL300017273325	0	35	-2.0	-111.36	316.38	3.94	-107.42
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273326	0	35	-2.0	-100.94	309.22	4.16	-96.78
COC1=CC(Cl)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C(=O)[O-]	REAL300017273327	0	36	-2.0	-102.70	323.22	3.72	-98.98
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017273328	0	36	-2.0	-96.46	332.04	3.50	-92.96
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017273329	0	34	-2.0	-94.82	307.85	4.82	-90.00
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017273330	0	29	-2.0	-96.88	279.38	1.88	-95.00
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017273331	0	35	-2.0	-110.87	308.28	3.80	-107.07
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017273332	0	34	-2.0	-99.23	309.66	3.90	-95.33
CC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C(C)=C1CC(=O)[O-]	REAL300017273333	0	44	-2.0	-107.29	335.95	5.71	-101.58
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017273334	0	34	-2.0	-114.14	301.52	5.08	-109.06
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017273335	0	41	-2.0	-102.71	341.63	5.06	-97.65
CC1=C(Cl)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C(=O)[O-]	REAL300017273336	0	35	-2.0	-96.40	314.85	3.90	-92.50
CC1=C(F)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C1C(=O)[O-]	REAL300017273337	0	35	-2.0	-95.38	306.18	3.52	-91.86
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017273338	0	38	-2.0	-107.79	327.22	5.15	-102.64
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1OC	REAL300017273457	0	43	-2.0	-107.23	365.67	3.32	-103.91
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273458	0	36	-2.0	-99.56	315.55	2.98	-96.58
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017273459	0	32	-2.0	-114.18	290.78	3.25	-110.93
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017273474	0	34	-3.0	-174.59	314.48	3.59	-171.00
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273475	0	36	-2.0	-109.34	314.05	2.41	-106.93
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017273476	0	32	-3.0	-188.21	293.31	1.82	-186.39
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017273476	1	33	-2.0	-97.87	294.98	1.05	-96.82
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017273477	0	31	-2.0	-105.65	280.96	0.87	-104.78
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])COC1	REAL300017273478	0	35	-2.0	-102.30	302.31	3.90	-98.40
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017273479	0	29	-2.0	-95.96	287.63	2.21	-93.75
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017273519	0	36	-2.0	-104.32	330.56	3.13	-101.19
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017273526	0	30	-2.0	-100.23	297.88	2.17	-98.06
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017273585	0	32	-2.0	-114.30	295.60	3.25	-111.05
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017273586	0	32	-2.0	-95.10	296.07	3.08	-92.02
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=C1	REAL300017273616	1	35	-2.0	-95.99	314.85	0.50	-95.49
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)=N[N-]1	REAL300017273616	1	35	-2.0	-96.07	315.06	0.49	-95.58
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017273692	0	39	-2.0	-108.49	330.68	4.86	-103.63
CCC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])COC2)C=C(C(=O)[O-])O1	REAL300017273704	0	35	-2.0	-108.43	307.83	2.68	-105.75
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017276341	1	34	-2.0	-113.97	330.18	5.46	-108.51
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300017276347	1	39	-2.0	-123.71	359.37	5.67	-118.04
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300017276370	1	39	-2.0	-117.76	341.64	3.87	-113.89
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300017276388	1	39	-2.0	-123.45	349.06	5.23	-118.22
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300017276459	1	36	-2.0	-114.62	323.22	3.26	-111.36
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017276461	0	35	-2.0	-140.95	306.73	6.21	-134.74
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017276464	1	33	-2.0	-122.32	307.87	5.08	-117.24
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017276472	0	35	-2.0	-126.41	331.68	7.24	-119.17
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(=O)OCC)O1	REAL300017276485	1	39	-2.0	-114.76	345.07	4.19	-110.57
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017276490	1	36	-2.0	-122.30	319.39	6.37	-115.93
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017276491	1	35	-2.0	-122.92	318.05	6.38	-116.54
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017276494	1	30	-2.0	-119.40	295.97	4.04	-115.36
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017276499	1	32	-2.0	-112.37	311.59	3.80	-108.57
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300017276503	1	38	-2.0	-119.82	329.08	5.20	-114.62
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017276504	1	35	-2.0	-124.22	316.35	5.84	-118.38
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017276507	1	35	-2.0	-128.26	316.73	6.29	-121.97
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017276509	1	41	-2.0	-99.19	356.74	1.69	-97.50
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017276527	1	35	-2.0	-137.42	315.04	6.75	-130.67
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H](CCC)CC(=O)[O-])C(=O)NC1=O	REAL300017276549	1	51	-2.0	-117.33	419.77	5.18	-112.15
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017276555	1	30	-2.0	-114.56	287.76	3.24	-111.32
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017276557	1	30	-2.0	-114.61	311.71	4.73	-109.88
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017276572	0	34	-2.0	-119.46	312.97	5.14	-114.32
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017276590	1	32	-2.0	-110.70	307.62	3.67	-107.03
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017276616	1	33	-2.0	-111.20	317.25	5.58	-105.62
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300017276643	1	37	-2.0	-127.67	321.66	4.04	-123.63
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017276659	1	33	-2.0	-124.36	296.00	4.63	-119.73
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300017276676	0	39	-2.0	-108.39	329.37	6.12	-102.27
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017276677	0	36	-2.0	-106.63	325.71	5.43	-101.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017276678	0	43	-2.0	-94.56	365.95	3.54	-91.02
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300017276679	0	44	-2.0	-105.74	362.91	6.43	-99.31
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300017276680	0	43	-2.0	-106.04	353.72	5.91	-100.13
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300017276681	0	43	-2.0	-124.15	359.94	5.07	-119.08
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300017276682	0	42	-2.0	-120.07	342.47	6.60	-113.47
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300017276683	0	40	-2.0	-120.23	331.82	4.22	-116.01
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300017276684	0	44	-2.0	-120.59	367.10	4.74	-115.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017276685	0	47	-2.0	-96.90	385.54	6.07	-90.83
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300017276686	0	43	-2.0	-122.05	358.60	5.91	-116.14
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017276687	0	33	-2.0	-114.33	303.09	4.06	-110.27
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300017276688	0	36	-2.0	-108.99	310.87	4.44	-104.55
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017276689	0	42	-2.0	-122.41	350.95	4.72	-117.69
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017276690	0	46	-2.0	-96.49	390.68	6.26	-90.23
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017276691	0	40	-2.0	-99.05	358.04	5.82	-93.23
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300017276692	0	43	-2.0	-101.23	360.61	5.94	-95.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300017276693	0	49	-2.0	-97.04	403.06	6.87	-90.17
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017276694	0	36	-2.0	-107.68	337.08	5.77	-101.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017276695	0	36	-2.0	-103.34	337.46	6.37	-96.97
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300017276696	0	42	-2.0	-104.61	343.13	6.73	-97.88
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300017276697	0	39	-2.0	-101.51	324.20	6.09	-95.42
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017276698	0	36	-2.0	-104.77	330.70	5.53	-99.24
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017276699	0	36	-2.0	-104.31	315.82	5.00	-99.31
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017276700	0	36	-2.0	-96.39	322.34	5.93	-90.46
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017276701	0	36	-2.0	-109.33	315.40	5.04	-104.29
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300017276702	0	39	-2.0	-109.93	338.07	6.52	-103.41
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017276703	0	36	-2.0	-110.19	330.11	5.44	-104.75
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017276704	0	36	-2.0	-107.13	327.77	5.38	-101.75
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300017276705	0	39	-2.0	-107.56	329.02	5.55	-102.01
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017276729	1	36	-2.0	-125.74	313.43	4.86	-120.88
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017276777	0	36	-2.0	-105.66	335.05	6.34	-99.32
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300017276778	0	40	-2.0	-113.98	331.69	5.10	-108.88
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017276779	0	37	-2.0	-112.37	318.25	3.00	-109.37
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017276780	0	40	-2.0	-100.35	340.94	6.24	-94.11
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017276781	0	36	-2.0	-109.27	325.54	6.13	-103.14
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017276782	0	42	-2.0	-97.97	353.07	6.55	-91.42
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017276783	0	36	-2.0	-106.06	308.61	4.98	-101.08
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017276784	0	39	-2.0	-100.64	331.67	5.74	-94.90
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300017276785	0	40	-2.0	-116.38	336.73	5.02	-111.36
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017276786	0	40	-2.0	-100.36	340.56	5.23	-95.13
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017276787	0	40	-2.0	-100.82	348.23	5.36	-95.46
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017276788	0	36	-2.0	-96.47	314.88	5.44	-91.03
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017276789	0	36	-2.0	-105.45	323.38	5.39	-100.06
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300017276790	0	39	-2.0	-115.26	328.93	5.62	-109.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017276791	0	44	-2.0	-96.09	373.22	6.36	-89.73
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017276792	0	36	-2.0	-101.10	315.64	5.04	-96.06
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017276792	1	35	-3.0	-193.10	324.42	5.18	-187.92
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300017276793	0	42	-2.0	-117.65	342.22	6.03	-111.62
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017276794	0	38	-2.0	-100.45	337.60	5.60	-94.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300017276795	0	40	-2.0	-100.28	349.70	6.02	-94.26
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017276796	0	36	-2.0	-104.61	327.11	5.49	-99.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300017276797	0	39	-2.0	-117.89	334.24	5.59	-112.30
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300017276798	0	39	-2.0	-110.69	333.90	6.03	-104.66
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300017276799	0	39	-2.0	-110.65	341.25	6.53	-104.12
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300017276800	0	39	-2.0	-114.80	340.63	5.89	-108.91
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300017276801	0	39	-2.0	-96.30	334.34	6.51	-89.79
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300017276802	0	40	-2.0	-115.30	349.81	6.04	-109.26
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017276803	0	40	-2.0	-104.18	348.23	5.61	-98.57
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017276804	0	38	-2.0	-105.44	330.52	6.65	-98.79
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017276805	0	33	-2.0	-106.66	301.90	4.13	-102.53
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017276806	0	39	-2.0	-112.94	333.28	5.80	-107.14
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017276807	0	38	-2.0	-114.24	336.27	6.04	-108.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300017276808	0	48	-2.0	-114.09	367.50	7.45	-106.64
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017276809	0	38	-2.0	-109.74	331.03	7.03	-102.71
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017276810	0	45	-2.0	-123.42	361.77	6.94	-116.48
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300017276811	0	39	-2.0	-109.63	339.58	5.91	-103.72
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300017276812	0	39	-2.0	-108.73	330.92	5.53	-103.20
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017276813	0	42	-2.0	-116.30	351.83	7.11	-109.19
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300017276820	1	36	-2.0	-123.17	323.55	3.21	-119.96
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300017276852	0	35	-2.0	-132.18	324.76	2.23	-129.95
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017276862	1	33	-2.0	-123.22	304.29	4.94	-118.28
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017276867	1	32	-2.0	-116.76	302.54	3.90	-112.86
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300017276899	1	36	-2.0	-128.35	324.27	3.91	-124.44
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017276920	0	35	-2.0	-137.13	312.03	3.33	-133.80
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F	REAL300017276925	1	37	-2.0	-124.95	332.49	4.70	-120.25
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017276931	0	36	-2.0	-101.15	319.94	5.05	-96.10
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017276931	1	35	-3.0	-185.96	328.07	5.19	-180.77
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC	REAL300017276933	0	47	-2.0	-108.18	389.29	5.68	-102.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300017276934	0	40	-2.0	-108.51	331.73	5.11	-103.40
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017276935	0	36	-2.0	-113.35	306.74	4.94	-108.41
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017276950	0	38	-3.0	-198.98	337.81	5.48	-193.50
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300017276951	0	40	-2.0	-106.28	337.59	4.58	-101.70
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017276952	0	36	-3.0	-198.07	309.43	4.04	-194.03
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017276952	1	37	-2.0	-117.33	317.37	3.37	-113.96
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017276953	0	35	-2.0	-110.88	306.99	3.17	-107.71
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)NN=C1C(=O)[O-]	REAL300017276954	0	36	-2.0	-114.38	295.28	2.33	-112.05
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300017276955	0	39	-2.0	-118.21	327.60	6.20	-112.01
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017276956	0	33	-2.0	-106.68	302.39	3.83	-102.85
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017276959	0	30	-2.0	-120.80	287.77	3.06	-117.74
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300017276970	1	37	-2.0	-125.91	320.11	5.08	-120.83
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1	REAL300017276993	0	36	-2.0	-113.38	342.96	3.87	-109.51
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017276996	0	40	-2.0	-108.22	353.23	5.50	-102.72
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017285669	1	36	-2.0	-106.45	332.27	1.40	-105.05
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285748	0	43	-2.0	-115.77	375.29	2.08	-113.69
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285839	0	34	-2.0	-114.28	307.66	5.98	-108.30
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017285840	0	31	-2.0	-102.27	300.93	5.48	-96.79
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017285841	0	38	-2.0	-97.15	342.42	3.38	-93.77
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285842	0	39	-2.0	-110.08	344.03	6.45	-103.63
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285843	0	38	-2.0	-109.97	334.86	5.93	-104.04
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1CC(=O)[O-]	REAL300017285844	0	38	-2.0	-106.07	335.19	5.10	-100.97
CC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017285845	0	37	-2.0	-104.80	325.04	6.49	-98.31
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285846	0	35	-2.0	-118.10	305.91	3.81	-114.29
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC(C(=O)[O-])=C1OC	REAL300017285847	0	39	-2.0	-105.90	342.96	4.80	-101.10
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017285848	0	42	-2.0	-95.66	362.83	5.85	-89.81
CCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017285849	0	38	-2.0	-107.92	333.87	5.95	-101.97
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017285850	0	28	-2.0	-106.85	292.56	4.86	-101.99
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017285851	0	28	-2.0	-99.06	276.56	4.06	-95.00
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C(C(=O)[O-])O1	REAL300017285852	0	31	-2.0	-100.49	297.75	4.11	-96.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017285853	0	37	-2.0	-105.44	326.79	4.76	-100.68
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017285854	0	41	-2.0	-98.70	364.44	6.24	-92.46
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017285855	0	35	-2.0	-95.43	331.80	5.81	-89.62
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300017285856	0	41	-2.0	-98.00	374.24	6.72	-91.28
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1OCC(=O)[O-]	REAL300017285857	0	38	-2.0	-96.59	335.83	5.98	-90.61
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1OCCCC(=O)[O-]	REAL300017285858	0	44	-2.0	-98.65	378.32	6.89	-91.76
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017285859	0	31	-2.0	-96.73	312.33	5.84	-90.89
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017285860	0	31	-2.0	-108.69	314.33	6.25	-102.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017285861	0	28	-2.0	-98.46	298.70	5.14	-93.32
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1C(=O)[O-]	REAL300017285862	0	37	-2.0	-105.00	321.64	6.55	-98.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285863	0	34	-2.0	-106.95	297.13	5.77	-101.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017285864	0	31	-2.0	-95.24	305.94	5.60	-89.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017285865	0	31	-2.0	-94.33	291.05	5.05	-89.28
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285866	0	34	-2.0	-97.02	318.32	6.44	-90.58
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017285867	0	31	-2.0	-101.73	295.82	5.61	-96.12
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017285868	0	31	-2.0	-95.41	289.26	5.02	-90.39
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285869	0	34	-2.0	-115.60	316.46	6.37	-109.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017285870	0	31	-2.0	-98.74	305.37	5.52	-93.22
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017285871	0	31	-2.0	-95.86	303.01	5.43	-90.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1F	REAL300017285872	0	34	-2.0	-111.18	310.66	5.80	-105.38
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1Br	REAL300017285873	0	34	-2.0	-116.59	321.14	6.47	-110.12
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017285938	0	31	-2.0	-107.74	309.10	5.94	-101.80
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285939	0	35	-2.0	-118.33	312.55	5.15	-113.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017285940	0	32	-2.0	-107.00	293.54	3.03	-103.97
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017285941	0	35	-2.0	-101.77	317.41	6.09	-95.68
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017285942	0	31	-2.0	-114.61	302.97	5.92	-108.69
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017285943	0	37	-2.0	-100.02	329.55	6.38	-93.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017285944	0	31	-2.0	-109.48	290.42	5.17	-104.31
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017285945	0	34	-2.0	-101.89	308.15	5.58	-96.31
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017285946	0	35	-2.0	-112.01	311.95	5.05	-106.96
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017285947	0	35	-2.0	-96.46	315.75	5.27	-91.19
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017285948	0	35	-2.0	-96.75	321.99	5.33	-91.42
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017285949	0	31	-2.0	-101.06	290.38	5.17	-95.89
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017285950	0	31	-2.0	-92.83	297.21	5.38	-87.45
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285951	0	34	-2.0	-112.75	310.63	5.86	-106.89
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017285952	0	39	-2.0	-100.08	349.69	6.20	-93.88
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017285953	0	31	-2.0	-102.64	296.69	5.22	-97.42
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC(C(=O)[O-])=C1C	REAL300017285954	0	37	-2.0	-109.23	323.27	6.13	-103.10
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017285955	0	33	-2.0	-90.01	312.85	5.66	-84.35
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300017285956	0	31	-2.0	-113.63	307.49	5.94	-107.69
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(Cl)C=C1C(=O)[O-]	REAL300017285957	0	35	-2.0	-106.77	321.16	5.57	-101.20
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017285958	0	31	-2.0	-92.15	300.95	5.48	-86.67
CC1=C(Br)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017285959	0	34	-2.0	-99.54	319.73	6.01	-93.53
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285960	0	34	-2.0	-116.15	320.48	6.45	-109.70
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC(C(=O)[O-])=C1F	REAL300017285961	0	34	-2.0	-106.21	309.52	5.64	-100.57
CC1=CC(F)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017285962	0	34	-2.0	-110.34	306.44	5.70	-104.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1Cl	REAL300017285963	0	34	-2.0	-116.25	317.94	6.35	-109.90
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC(C(=O)[O-])=C1Cl	REAL300017285964	0	34	-2.0	-103.89	315.91	5.95	-97.94
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285965	0	34	-2.0	-97.02	313.77	6.34	-90.68
COC1=CC(Cl)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017285966	0	35	-2.0	-116.62	321.17	5.58	-111.04
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017285967	0	35	-2.0	-101.55	329.09	5.65	-95.90
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017285968	0	33	-2.0	-94.80	305.71	6.78	-88.02
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017285969	0	28	-2.0	-101.58	282.65	4.40	-97.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017285970	0	34	-2.0	-103.08	306.88	5.76	-97.32
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017285971	0	33	-2.0	-109.16	311.17	6.04	-103.12
CC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1CC(=O)[O-]	REAL300017285972	0	43	-2.0	-119.71	338.33	8.07	-111.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017285973	0	33	-2.0	-114.09	305.18	6.93	-107.16
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017285974	0	40	-2.0	-123.92	336.44	7.07	-116.85
CC1=C(Cl)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017285975	0	34	-2.0	-99.34	315.71	5.92	-93.42
CC1=C(F)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017285976	0	34	-2.0	-98.02	306.97	5.54	-92.48
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017285977	0	37	-2.0	-107.88	326.49	7.04	-100.84
N#CC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C=C1Br	REAL300017294783	1	29	-2.0	-124.19	304.58	4.96	-119.23
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=C1F	REAL300017294787	1	34	-2.0	-138.24	333.76	5.18	-133.06
NC(=O)C1=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=C(F)C=C1Br	REAL300017294803	1	32	-2.0	-127.25	314.85	1.47	-125.78
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)O1	REAL300017294810	1	34	-2.0	-125.18	308.73	3.32	-121.86
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=C1F	REAL300017294826	1	34	-2.0	-137.51	323.44	4.74	-132.77
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C1CC1	REAL300017294871	1	28	-2.0	-120.61	288.48	5.47	-115.14
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)O1	REAL300017294899	1	31	-2.0	-128.39	298.12	2.80	-125.59
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1CC1	REAL300017294900	0	30	-2.0	-151.84	281.28	5.66	-146.18
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C1CC1	REAL300017294903	1	28	-2.0	-133.28	281.99	4.31	-128.97
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C1CC1	REAL300017294911	0	30	-2.0	-132.52	305.39	6.68	-125.84
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)O1	REAL300017294924	1	34	-2.0	-125.78	316.55	3.69	-122.09
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C1CC1	REAL300017294928	1	31	-2.0	-131.50	300.05	5.44	-126.06
O=C([O-])C([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C1CC1	REAL300017294929	1	30	-2.0	-135.84	297.55	6.03	-129.81
O=C([O-])C([N-]S(=O)(=O)C1=C(Br)C=CS1)C1CC1	REAL300017294932	1	25	-2.0	-124.63	274.65	2.94	-121.69
O=C([O-])C([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C1CC1	REAL300017294937	1	27	-2.0	-118.25	292.00	2.69	-115.56
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300017294941	1	33	-2.0	-139.59	307.28	4.69	-134.90
O=C([O-])C([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C1CC1	REAL300017294942	1	30	-2.0	-136.20	295.78	4.77	-131.43
O=C([O-])C([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C1CC1	REAL300017294945	1	30	-2.0	-129.91	303.91	5.60	-124.31
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(F)=C1	REAL300017294947	1	36	-2.0	-105.03	333.91	0.41	-104.62
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1CC1	REAL300017294965	1	30	-2.0	-143.67	292.30	6.18	-137.49
CCCCCCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C(=O)NC1=O	REAL300017294986	1	46	-2.0	-138.61	394.82	4.62	-133.99
O=C([O-])C([N-]S(=O)(=O)C1=CC=C(Br)O1)C1CC1	REAL300017294992	1	25	-2.0	-126.23	259.52	2.69	-123.54
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C1CC1	REAL300017294994	1	25	-2.0	-124.08	286.11	4.24	-119.84
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C(F)=C1	REAL300017295083	1	32	-2.0	-140.19	293.13	3.52	-136.67
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295117	0	34	-2.0	-109.36	311.28	5.13	-104.23
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Br	REAL300017295118	0	31	-2.0	-114.21	310.83	4.77	-109.44
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295119	0	38	-2.0	-93.38	346.77	2.76	-90.62
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295120	0	39	-2.0	-114.24	351.18	5.28	-108.96
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295121	0	38	-2.0	-118.52	339.84	4.70	-113.82
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1CC(=O)[O-]	REAL300017295122	0	38	-2.0	-117.87	340.78	4.31	-113.56
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017295123	0	37	-2.0	-121.40	326.00	5.73	-115.67
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295124	0	35	-2.0	-112.50	314.87	3.14	-109.36
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(C(=O)[O-])=C1OC	REAL300017295125	0	39	-2.0	-102.13	348.62	3.96	-98.17
O=C([O-])C(NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C1CC1	REAL300017295126	0	42	-2.0	-93.11	367.13	5.24	-87.87
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017295127	0	38	-2.0	-122.45	339.46	5.16	-117.29
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(Br)S1	REAL300017295128	0	28	-2.0	-105.32	305.23	4.03	-101.29
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CS1	REAL300017295129	0	28	-2.0	-112.14	280.17	3.14	-109.00
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C(C(=O)[O-])O1	REAL300017295130	0	31	-2.0	-109.16	296.17	3.36	-105.80
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC2=C1OCCO2	REAL300017295131	0	37	-2.0	-119.87	330.34	3.87	-116.00
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300017295132	0	41	-2.0	-95.97	370.06	5.43	-90.54
O=C([O-])COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300017295133	0	35	-2.0	-98.59	337.43	4.99	-93.60
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300017295134	0	41	-2.0	-96.53	384.13	6.02	-90.51
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1OCC(=O)[O-]	REAL300017295135	0	38	-2.0	-99.50	341.47	5.16	-94.34
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1OCCCC(=O)[O-]	REAL300017295136	0	44	-2.0	-98.23	388.18	6.21	-92.02
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(Cl)=C1Cl	REAL300017295137	0	31	-2.0	-94.12	315.93	4.94	-89.18
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295138	0	31	-2.0	-102.86	323.25	5.30	-97.56
O=C([O-])C1=CC(Br)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017295139	0	28	-2.0	-96.56	300.91	3.74	-92.82
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=C1C(=O)[O-]	REAL300017295140	0	37	-2.0	-117.24	324.56	5.68	-111.56
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295141	0	34	-2.0	-101.20	306.14	5.10	-96.10
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295142	0	31	-2.0	-108.70	309.55	4.71	-103.99
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295143	0	31	-2.0	-108.58	296.82	4.22	-104.36
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295144	0	34	-2.0	-94.86	321.71	5.57	-89.29
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(Cl)=C1	REAL300017295145	0	31	-2.0	-102.63	303.50	4.80	-97.83
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300017295146	0	31	-2.0	-105.78	294.84	4.22	-101.56
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295147	0	34	-2.0	-109.69	317.86	5.48	-104.21
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(Cl)=C1F	REAL300017295148	0	31	-2.0	-95.76	308.96	4.62	-91.14
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(F)=C1Cl	REAL300017295149	0	31	-2.0	-93.87	308.78	4.59	-89.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1F	REAL300017295150	0	34	-2.0	-101.94	306.62	4.57	-97.37
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1Br	REAL300017295151	0	34	-2.0	-102.86	329.45	5.59	-97.27
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(Cl)C=C1Cl	REAL300017295216	0	31	-2.0	-104.86	318.57	5.18	-99.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295217	0	35	-2.0	-119.30	319.69	3.98	-115.32
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1O	REAL300017295218	0	32	-2.0	-120.24	303.38	2.33	-117.91
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295219	0	35	-2.0	-100.38	326.01	5.57	-94.81
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295220	0	31	-2.0	-110.34	307.94	4.95	-105.39
O=C([O-])CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295221	0	37	-2.0	-98.61	338.12	5.88	-92.73
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295222	0	31	-2.0	-105.32	296.70	4.30	-101.02
O=C([O-])CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295223	0	34	-2.0	-99.29	312.47	4.96	-94.33
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017295224	0	35	-2.0	-115.24	321.86	4.36	-110.88
O=C([O-])COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295225	0	35	-2.0	-98.78	321.37	4.45	-94.33
O=C([O-])COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300017295226	0	35	-2.0	-100.63	327.62	4.53	-96.10
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(F)=C1	REAL300017295227	0	31	-2.0	-104.52	296.69	4.30	-100.22
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300017295228	0	31	-2.0	-104.05	307.07	4.69	-99.36
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295229	0	34	-2.0	-128.20	305.91	4.56	-123.64
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300017295230	0	39	-2.0	-95.77	354.04	5.60	-90.17
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295231	0	31	-2.0	-97.95	293.84	3.99	-93.96
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=C1	REAL300017295231	1	30	-3.0	-194.93	298.81	4.68	-190.25
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(C(=O)[O-])=C1C	REAL300017295232	0	37	-2.0	-102.87	321.09	5.17	-97.70
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295233	0	33	-2.0	-101.51	316.45	4.77	-96.74
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(Br)C=C1F	REAL300017295234	0	31	-2.0	-96.73	313.73	5.03	-91.70
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(Cl)C=C1C(=O)[O-]	REAL300017295235	0	35	-2.0	-98.31	333.30	4.86	-93.45
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Br	REAL300017295236	0	31	-2.0	-103.23	310.81	4.77	-98.46
CC1=C(Br)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017295237	0	34	-2.0	-98.30	328.22	5.30	-93.00
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295238	0	34	-2.0	-110.78	324.09	5.62	-105.16
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(C(=O)[O-])=C1F	REAL300017295239	0	34	-2.0	-116.90	313.04	4.75	-112.15
CC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017295240	0	34	-2.0	-101.08	302.44	4.48	-96.60
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1Cl	REAL300017295241	0	34	-2.0	-110.86	326.79	5.41	-105.45
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(C(=O)[O-])=C1Cl	REAL300017295242	0	34	-2.0	-114.70	319.44	5.06	-109.64
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295243	0	34	-2.0	-94.72	317.14	5.47	-89.25
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017295244	0	35	-2.0	-115.73	335.32	4.90	-110.83
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(OC(F)(F)F)=C1	REAL300017295245	0	35	-2.0	-95.50	336.25	4.48	-91.02
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C([N+](=O)[O-])=C1	REAL300017295246	0	33	-2.0	-102.18	311.96	5.79	-96.39
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017295247	0	28	-2.0	-101.93	280.92	3.25	-98.68
O=C([O-])CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295248	0	34	-2.0	-123.02	315.77	5.12	-117.90
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300017295249	0	33	-2.0	-122.40	321.13	5.38	-117.02
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=C1CC(=O)[O-]	REAL300017295250	0	43	-2.0	-114.35	348.94	6.81	-107.54
O=C([O-])C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1[N+](=O)[O-]	REAL300017295251	0	33	-2.0	-105.92	314.83	5.99	-99.93
CC(C)(C)C1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C(C(=O)[O-])S1	REAL300017295252	0	40	-2.0	-104.93	340.06	5.85	-99.08
CC1=C(Cl)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017295253	0	34	-2.0	-98.07	324.11	5.21	-92.86
CC1=C(F)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017295254	0	34	-2.0	-97.11	315.30	4.83	-92.28
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC2=CC=CC=C21	REAL300017295255	0	37	-2.0	-124.46	331.34	6.30	-118.16
COC(=O)C1=COC(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=C1	REAL300017295262	1	31	-2.0	-132.73	295.03	2.71	-130.02
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)SC=N1	REAL300017295288	0	30	-2.0	-135.21	298.79	1.77	-133.44
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C1CC1	REAL300017295296	1	28	-2.0	-134.03	278.41	4.17	-129.86
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C1CC1	REAL300017295300	1	27	-2.0	-124.54	281.36	2.81	-121.73
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=C(Br)N1C	REAL300017295331	1	31	-2.0	-138.83	295.51	3.44	-135.39
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)S1	REAL300017295334	0	31	-2.0	-124.30	319.45	4.31	-119.99
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=N1	REAL300017295353	0	30	-2.0	-151.72	283.45	2.64	-149.08
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=C1F	REAL300017295357	1	32	-2.0	-143.92	307.57	4.21	-139.71
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(F)C(F)=C1F	REAL300017295360	0	31	-2.0	-97.40	298.15	4.01	-93.39
O=C([O-])C1=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=C(F)C(F)=C1F	REAL300017295360	1	30	-3.0	-182.32	306.96	4.06	-178.26
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1OC	REAL300017295362	0	42	-2.0	-120.81	371.60	4.83	-115.98
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295363	0	35	-2.0	-100.61	317.61	3.94	-96.67
O=C([O-])C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1F	REAL300017295364	0	31	-2.0	-120.34	294.86	4.26	-116.08
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295377	0	33	-3.0	-177.50	318.76	4.70	-172.80
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295378	0	35	-2.0	-104.14	320.55	3.26	-100.88
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295379	0	31	-3.0	-199.52	293.15	2.80	-196.72
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295379	1	32	-2.0	-113.70	298.75	1.89	-111.81
O=C([O-])C1=CC=NC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295380	0	30	-2.0	-113.11	290.79	2.41	-110.70
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C(=O)[O-])=NN1	REAL300017295381	0	31	-2.0	-118.24	283.26	2.08	-116.16
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295382	0	34	-2.0	-109.98	310.66	5.15	-104.83
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(Cl)O1	REAL300017295383	0	28	-2.0	-101.08	278.31	2.73	-98.35
O=C([O-])C([N-]S(=O)(=O)C1=C(Br)C=CO1)C1CC1	REAL300017295386	0	25	-2.0	-129.30	253.06	2.61	-126.69
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1CC1	REAL300017295396	1	32	-2.0	-125.34	302.28	4.06	-121.28
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=C1	REAL300017295414	0	31	-2.0	-122.13	313.76	3.35	-118.78
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1OC(F)(F)F	REAL300017295418	0	35	-2.0	-106.82	338.36	4.84	-101.98
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C1CC1	REAL300017295422	1	31	-2.0	-144.69	288.05	3.19	-141.50
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300017295424	0	29	-2.0	-108.57	291.81	4.07	-104.50
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1F	REAL300017295474	0	31	-2.0	-127.17	289.10	3.94	-123.23
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(F)=C1F	REAL300017295475	0	31	-2.0	-95.72	301.24	4.24	-91.48
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C1CC1	REAL300017295483	0	28	-2.0	-132.42	281.11	4.84	-127.58
O=C([O-])C([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C1CC1	REAL300017295484	1	30	-2.0	-127.64	299.60	3.27	-124.37
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1CC1	REAL300017295488	1	32	-2.0	-138.52	314.21	4.39	-134.13
O=C([O-])C([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C1CC1	REAL300017295491	1	28	-2.0	-123.71	289.88	3.97	-119.74
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017295503	1	34	-2.0	-110.66	318.53	1.24	-109.42
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=N[N-]1	REAL300017295503	1	34	-2.0	-110.61	318.62	1.26	-109.35
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1CC1	REAL300017295511	1	32	-2.0	-124.22	316.47	4.63	-119.59
O=C([O-])C([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C1CC1	REAL300017295518	1	25	-2.0	-114.85	287.27	3.48	-111.37
O=C([O-])C([N-]S(=O)(=O)C1=C(I)C=CS1)C1CC1	REAL300017295524	1	25	-2.0	-123.11	280.85	3.40	-119.71
O=C([O-])C(NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C1CC1	REAL300017295566	0	38	-2.0	-109.34	334.47	6.02	-103.32
O=C([O-])C([N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1CC1	REAL300017295570	1	35	-2.0	-129.31	330.29	4.43	-124.88
CCC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C(C(=O)[O-])O1	REAL300017295577	0	34	-2.0	-109.95	315.84	4.10	-105.85
CCN1C=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017295582	0	50	-2.0	-102.63	392.11	7.76	-94.87
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300017295585	0	46	-2.0	-111.67	363.90	7.50	-104.17
CC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017295586	0	49	-2.0	-103.71	380.03	8.09	-95.62
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300017295587	0	46	-2.0	-97.99	364.15	7.49	-90.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1C	REAL300017295588	0	52	-2.0	-108.69	385.44	8.37	-100.32
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])S2)CC1	REAL300017295589	0	46	-2.0	-100.63	378.43	7.45	-93.18
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295590	0	49	-2.0	-107.46	368.30	7.86	-99.60
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300017295591	0	43	-2.0	-108.81	357.09	6.53	-102.28
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295592	0	52	-2.0	-132.82	390.10	9.12	-123.70
CC(C)CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)CC1	REAL300017295593	0	47	-2.0	-101.80	370.74	6.90	-94.90
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300017295594	0	46	-2.0	-96.35	372.54	7.21	-89.14
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C(C)O1	REAL300017295595	0	49	-2.0	-110.97	376.85	7.86	-103.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300017295596	0	49	-2.0	-115.72	362.89	7.70	-108.02
CCC1=CC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017295597	0	52	-2.0	-112.78	397.97	8.69	-104.09
CC1=CC(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=CC=C1C(=O)[O-]	REAL300017295598	0	49	-2.0	-96.14	378.40	8.01	-88.13
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)S1	REAL300017295718	1	46	-2.0	-103.57	377.07	3.31	-100.26
CC1=C(S(=O)(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C=C(C(=O)[O-])S1	REAL300017295722	0	46	-2.0	-107.15	361.46	6.99	-100.16
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(F)=C1	REAL300017307332	1	37	-2.0	-106.04	337.91	0.15	-105.89
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307499	0	35	-2.0	-103.93	305.70	4.41	-99.52
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300017307500	0	32	-2.0	-95.85	310.26	4.52	-91.33
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307501	0	39	-2.0	-97.49	351.26	2.58	-94.91
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307502	0	40	-2.0	-107.92	350.17	5.12	-102.80
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307503	0	39	-2.0	-99.37	340.28	4.61	-94.76
COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1CC(=O)[O-]	REAL300017307504	0	39	-2.0	-102.62	344.47	4.15	-98.47
CC1=CC(C)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017307505	0	38	-2.0	-112.35	316.44	4.92	-107.43
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307506	0	36	-2.0	-113.45	309.17	2.41	-111.04
COC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC(C(=O)[O-])=C1OC	REAL300017307507	0	40	-2.0	-113.44	352.35	3.83	-109.61
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C2)C1	REAL300017307508	0	43	-2.0	-95.45	371.62	5.06	-90.39
CCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017307509	0	39	-2.0	-104.96	343.15	5.00	-99.96
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CS1	REAL300017307510	0	29	-2.0	-97.81	285.70	3.05	-94.76
CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017307511	0	32	-2.0	-95.81	287.99	2.80	-93.01
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC2=C1OCCO2	REAL300017307512	0	38	-2.0	-104.13	336.21	3.80	-100.33
O=C([O-])CCCOC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1F	REAL300017307513	0	42	-2.0	-101.38	373.75	5.28	-96.10
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Cl	REAL300017307514	0	36	-2.0	-98.80	341.11	4.85	-93.95
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1OCC(=O)[O-]	REAL300017307515	0	39	-2.0	-98.31	345.15	5.01	-93.30
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1OCCCC(=O)[O-]	REAL300017307516	0	45	-2.0	-98.82	387.60	5.94	-92.88
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC(Cl)=C1Cl	REAL300017307517	0	32	-2.0	-103.33	321.72	4.87	-98.46
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307518	0	32	-2.0	-91.20	313.99	4.63	-86.57
CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C)=C1C(=O)[O-]	REAL300017307519	0	38	-2.0	-102.80	318.62	4.98	-97.82
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307520	0	35	-2.0	-98.02	297.99	4.28	-93.74
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307521	0	32	-2.0	-105.00	315.33	4.64	-100.36
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307522	0	32	-2.0	-104.12	300.45	4.09	-100.03
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(Cl)=C1	REAL300017307523	0	32	-2.0	-98.01	298.82	4.17	-93.84
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1F	REAL300017307524	0	32	-2.0	-100.77	298.56	4.06	-96.71
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307525	0	35	-2.0	-105.03	314.42	4.81	-100.22
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC(Cl)=C1F	REAL300017307526	0	32	-2.0	-105.65	314.75	4.56	-101.09
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC(F)=C1Cl	REAL300017307527	0	32	-2.0	-102.63	312.40	4.47	-98.16
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1F	REAL300017307528	0	35	-2.0	-103.52	317.07	4.60	-98.92
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300017307600	0	32	-2.0	-100.00	311.91	4.59	-95.41
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307601	0	36	-2.0	-98.01	317.95	3.85	-94.16
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1O	REAL300017307602	0	33	-2.0	-100.04	302.81	2.08	-97.96
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307603	0	36	-2.0	-102.03	326.25	5.29	-96.74
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307604	0	32	-2.0	-102.88	301.56	4.27	-98.61
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307605	0	38	-2.0	-98.16	338.36	5.59	-92.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307606	0	32	-2.0	-103.00	296.70	3.97	-99.03
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307607	0	35	-2.0	-99.16	316.98	4.78	-94.38
COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017307608	0	36	-2.0	-118.84	321.29	4.10	-114.74
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307609	0	36	-2.0	-99.03	325.87	4.28	-94.75
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1F	REAL300017307610	0	36	-2.0	-100.74	331.31	4.38	-96.36
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(F)=C1	REAL300017307611	0	32	-2.0	-100.51	296.01	3.92	-96.59
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Cl	REAL300017307612	0	32	-2.0	-97.39	306.53	4.43	-92.96
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307613	0	35	-2.0	-124.40	315.59	4.53	-119.87
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1	REAL300017307614	0	40	-2.0	-99.59	358.53	5.41	-94.18
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307615	0	32	-2.0	-92.42	302.30	3.97	-88.45
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC(C(=O)[O-])=C1C	REAL300017307616	0	38	-2.0	-115.26	330.62	5.20	-110.06
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307617	0	34	-2.0	-91.13	322.24	4.69	-86.44
COC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C(Cl)C=C1C(=O)[O-]	REAL300017307618	0	36	-2.0	-98.25	326.67	4.27	-93.98
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1Br	REAL300017307619	0	32	-2.0	-96.60	310.27	4.52	-92.08
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC(C(=O)[O-])=C1F	REAL300017307620	0	35	-2.0	-113.62	318.88	4.68	-108.94
CC1=CC(F)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017307621	0	35	-2.0	-97.01	316.12	4.55	-92.46
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1Cl	REAL300017307622	0	35	-2.0	-104.02	318.27	4.78	-99.24
CC1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC(C(=O)[O-])=C1Cl	REAL300017307623	0	35	-2.0	-110.82	325.27	4.98	-105.84
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307624	0	35	-2.0	-95.58	315.16	4.85	-90.73
COC1=CC(Cl)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017307625	0	36	-2.0	-111.11	326.01	4.25	-106.86
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(OC(F)(F)F)=C1	REAL300017307626	0	36	-2.0	-98.88	333.22	4.32	-94.56
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300017307627	0	34	-2.0	-94.54	314.38	5.91	-88.63
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)S1	REAL300017307628	0	29	-2.0	-102.95	287.05	3.13	-99.82
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307629	0	35	-2.0	-99.21	316.18	4.79	-94.42
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017307630	0	34	-2.0	-103.41	320.60	5.11	-98.30
CC1=CC(C)=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C)=C1CC(=O)[O-]	REAL300017307631	0	44	-2.0	-100.56	351.10	6.51	-94.05
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300017307632	0	34	-2.0	-123.07	309.22	5.60	-117.47
CC(C)(C)C1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017307633	0	41	-2.0	-108.53	347.35	6.07	-102.46
CC1=C(Cl)C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017307634	0	35	-2.0	-106.43	327.91	5.10	-101.33
CC1=C(F)C=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017307635	0	35	-2.0	-105.26	319.28	4.71	-100.55
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300017307636	0	38	-2.0	-104.32	335.08	6.14	-98.18
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C(F)C(F)=C1F	REAL300017307754	0	32	-2.0	-92.43	306.71	3.99	-88.44
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1OC	REAL300017307756	0	43	-2.0	-115.32	369.60	4.56	-110.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307757	0	36	-2.0	-98.44	317.94	3.86	-94.58
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1F	REAL300017307758	0	32	-2.0	-102.03	294.89	3.93	-98.10
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307773	0	34	-3.0	-172.85	322.42	4.59	-168.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307774	0	36	-2.0	-118.79	313.24	3.42	-115.37
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307775	0	32	-3.0	-173.81	296.71	2.62	-171.19
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307775	1	33	-2.0	-108.97	300.14	1.73	-107.24
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307776	0	31	-2.0	-100.70	290.99	2.10	-98.60
CC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C(C(=O)[O-])=NN1	REAL300017307777	0	32	-2.0	-104.92	284.89	1.83	-103.09
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	REAL300017307778	0	35	-2.0	-112.23	304.82	4.40	-107.83
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C(Cl)O1	REAL300017307779	0	29	-2.0	-97.38	290.83	2.83	-94.55
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC=C1OC(F)(F)F	REAL300017307819	0	36	-2.0	-109.75	337.79	4.58	-105.17
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300017307826	0	30	-2.0	-89.99	301.22	3.07	-86.92
O=C([O-])C1=C(F)C=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1F	REAL300017307885	0	32	-2.0	-124.96	298.71	3.90	-121.06
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=CC(F)=C1F	REAL300017307886	0	32	-2.0	-105.20	304.86	4.12	-101.08
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=C1	REAL300017307916	1	35	-2.0	-95.58	322.37	1.12	-94.46
CCOC(=O)C1=CC(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)=N[N-]1	REAL300017307916	1	35	-2.0	-95.57	322.47	1.12	-94.45
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCO[C@H](C(=O)[O-])C3)C=C2C1	REAL300017307996	0	39	-2.0	-95.72	339.35	5.86	-89.86
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017308413	1	34	-2.0	-114.03	325.45	5.88	-108.15
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)=C1F	REAL300017308419	1	39	-2.0	-127.78	357.27	5.13	-122.65
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)O1	REAL300017308442	1	39	-2.0	-117.72	336.54	3.65	-114.07
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)=C1F	REAL300017308460	1	39	-2.0	-123.31	342.59	4.98	-118.33
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)O1	REAL300017308531	1	36	-2.0	-117.77	321.66	2.74	-115.03
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017308533	0	35	-2.0	-135.40	307.98	5.64	-129.76
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017308536	1	33	-2.0	-130.57	296.90	5.13	-125.44
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017308544	0	35	-2.0	-127.52	331.98	7.13	-120.39
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)O1	REAL300017308557	1	39	-2.0	-118.83	343.89	3.71	-115.12
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017308562	1	36	-2.0	-126.90	320.86	6.03	-120.87
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017308563	1	35	-2.0	-123.68	319.04	6.23	-117.45
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017308566	1	30	-2.0	-122.02	291.17	3.85	-118.17
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017308571	1	32	-2.0	-111.57	311.74	3.27	-108.30
CCN1C=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300017308575	1	38	-2.0	-133.26	333.64	5.41	-127.85
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017308576	1	35	-2.0	-137.29	318.26	5.50	-131.79
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017308579	1	35	-2.0	-124.62	318.96	6.24	-118.38
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017308581	1	41	-2.0	-105.66	345.55	0.93	-104.73
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017308599	1	35	-2.0	-128.18	315.95	6.31	-121.87
CCCCCCN1C=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)C(=O)NC1=O	REAL300017308621	1	51	-2.0	-129.67	418.35	4.70	-124.97
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017308627	1	30	-2.0	-118.00	286.87	2.71	-115.29
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017308629	1	30	-2.0	-115.00	303.06	4.44	-110.56
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017308644	0	34	-2.0	-120.80	315.24	4.64	-116.16
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017308662	1	32	-2.0	-109.60	310.76	3.16	-106.44
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017308688	1	33	-2.0	-111.59	310.46	5.28	-106.31
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300017308715	1	37	-2.0	-128.14	323.93	3.52	-124.62
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017308731	1	33	-2.0	-124.06	289.57	4.34	-119.72
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308748	0	39	-2.0	-101.50	322.46	5.81	-95.69
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017308749	0	36	-2.0	-104.45	320.27	5.41	-99.04
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017308750	0	43	-2.0	-95.24	367.55	3.13	-92.11
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308751	0	44	-2.0	-111.11	373.41	5.82	-105.29
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308752	0	43	-2.0	-101.24	359.74	5.59	-95.65
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1CC(=O)[O-]	REAL300017308753	0	43	-2.0	-105.31	361.56	4.68	-100.63
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017308754	0	42	-2.0	-105.52	342.37	5.97	-99.55
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308755	0	40	-2.0	-104.87	325.76	3.82	-101.05
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC(C(=O)[O-])=C1OC	REAL300017308756	0	44	-2.0	-119.21	362.33	4.74	-114.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017308757	0	47	-2.0	-96.60	387.50	5.65	-90.95
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017308758	0	43	-2.0	-115.66	354.36	5.81	-109.85
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017308759	0	33	-2.0	-113.10	303.18	3.66	-109.44
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C(C(=O)[O-])O1	REAL300017308760	0	36	-2.0	-112.90	297.84	3.68	-109.22
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017308761	0	42	-2.0	-114.81	353.45	4.39	-110.42
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017308762	0	46	-2.0	-98.63	391.03	5.87	-92.76
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017308763	0	40	-2.0	-98.95	352.05	5.62	-93.33
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1OCC(=O)[O-]	REAL300017308764	0	43	-2.0	-100.98	355.18	5.92	-95.06
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1OCCCC(=O)[O-]	REAL300017308765	0	49	-2.0	-97.10	404.67	6.47	-90.63
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017308766	0	36	-2.0	-108.27	331.71	5.78	-102.49
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017308767	0	36	-2.0	-103.58	320.37	5.63	-97.95
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1C(=O)[O-]	REAL300017308768	0	42	-2.0	-122.32	341.82	5.98	-116.34
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308769	0	39	-2.0	-105.25	322.62	5.34	-99.91
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017308770	0	36	-2.0	-103.91	326.62	5.45	-98.46
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017308771	0	36	-2.0	-103.45	311.73	4.91	-98.54
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017308772	0	36	-2.0	-94.26	326.99	5.26	-89.00
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017308773	0	36	-2.0	-106.01	315.77	4.65	-101.36
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308774	0	39	-2.0	-101.74	332.03	6.05	-95.69
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017308775	0	36	-2.0	-109.95	331.79	5.06	-104.89
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017308776	0	36	-2.0	-107.33	323.64	5.28	-102.05
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1F	REAL300017308777	0	39	-2.0	-111.34	328.02	5.77	-105.57
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017308801	1	36	-2.0	-127.61	308.85	4.66	-122.95
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017308849	0	36	-2.0	-106.95	328.29	5.96	-100.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308850	0	40	-2.0	-112.87	324.92	4.81	-108.06
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017308851	0	37	-2.0	-110.86	314.02	2.88	-107.98
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017308852	0	40	-2.0	-101.04	342.54	5.83	-95.21
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017308853	0	36	-2.0	-110.75	319.27	5.70	-105.05
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017308854	0	42	-2.0	-97.62	354.66	6.14	-91.48
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017308855	0	36	-2.0	-106.57	319.26	4.76	-101.81
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017308856	0	39	-2.0	-99.95	333.39	5.40	-94.55
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017308857	0	40	-2.0	-113.81	338.34	4.61	-109.20
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017308858	0	40	-2.0	-99.86	342.17	4.83	-95.03
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017308859	0	40	-2.0	-100.19	348.41	4.90	-95.29
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017308860	0	36	-2.0	-103.93	303.71	4.69	-99.24
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017308861	0	36	-2.0	-103.36	323.55	4.93	-98.43
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308862	0	39	-2.0	-106.02	327.24	5.76	-100.26
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017308863	0	44	-2.0	-95.86	374.93	6.03	-89.83
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017308864	0	36	-2.0	-100.90	310.04	4.73	-96.17
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017308864	1	35	-3.0	-192.96	317.95	4.91	-188.05
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC(C(=O)[O-])=C1C	REAL300017308865	0	42	-2.0	-118.85	338.42	5.86	-112.99
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017308866	0	38	-2.0	-103.87	339.30	5.21	-98.66
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C(Cl)C=C1C(=O)[O-]	REAL300017308867	0	40	-2.0	-109.16	334.56	5.12	-104.04
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017308868	0	36	-2.0	-102.79	327.28	5.03	-97.76
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC(C(=O)[O-])=C1F	REAL300017308869	0	39	-2.0	-118.78	328.91	5.59	-113.19
CC1=CC(F)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017308870	0	39	-2.0	-111.04	322.93	5.69	-105.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1Cl	REAL300017308871	0	39	-2.0	-111.96	334.49	6.15	-105.81
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC(C(=O)[O-])=C1Cl	REAL300017308872	0	39	-2.0	-115.03	342.33	5.50	-109.53
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308873	0	39	-2.0	-111.22	329.62	5.86	-105.36
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017308874	0	40	-2.0	-114.78	334.35	5.15	-109.63
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017308875	0	40	-2.0	-96.25	346.13	5.66	-90.59
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017308876	0	38	-2.0	-105.12	320.42	6.23	-98.89
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017308877	0	33	-2.0	-104.07	303.88	3.74	-100.33
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017308878	0	39	-2.0	-105.34	327.12	5.56	-99.78
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017308879	0	38	-2.0	-112.51	331.28	6.05	-106.46
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C(C)=C1CC(=O)[O-]	REAL300017308880	0	48	-2.0	-113.86	362.41	7.30	-106.56
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017308881	0	38	-2.0	-124.37	324.52	6.67	-117.70
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017308882	0	45	-2.0	-130.05	357.49	6.48	-123.57
CC1=C(Cl)C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017308883	0	39	-2.0	-111.90	337.97	6.00	-105.90
CC1=C(F)C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017308884	0	39	-2.0	-111.09	329.28	5.62	-105.47
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017308885	0	42	-2.0	-125.24	352.03	6.66	-118.58
COC(=O)C1=COC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308892	1	36	-2.0	-125.06	318.98	3.01	-122.05
COC(=O)C1=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)SC=N1	REAL300017308924	0	35	-2.0	-125.17	320.08	2.29	-122.88
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017308934	1	33	-2.0	-131.04	293.87	5.02	-126.02
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017308939	1	32	-2.0	-118.38	297.47	3.68	-114.70
CC1=NC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)=C(Br)N1C	REAL300017308971	1	36	-2.0	-136.59	326.51	3.42	-133.17
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017308992	0	35	-2.0	-140.08	307.46	3.12	-136.96
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)=C1F	REAL300017308997	1	37	-2.0	-124.22	331.80	4.18	-120.04
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)C1	REAL300017311338	1	36	-2.0	-106.73	332.06	0.60	-106.13
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311417	0	43	-2.0	-100.66	374.41	0.83	-99.83
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311508	0	34	-2.0	-92.30	303.03	4.91	-87.39
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C1	REAL300017311509	0	31	-2.0	-96.55	309.06	4.89	-91.66
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300017311510	0	38	-2.0	-97.58	347.00	3.07	-94.51
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311511	0	39	-2.0	-103.46	343.75	5.77	-97.69
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311512	0	38	-2.0	-99.17	341.27	5.01	-94.16
COC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1CC(=O)[O-]	REAL300017311513	0	38	-2.0	-103.73	343.29	4.54	-99.19
CC1=CC(C)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017311514	0	37	-2.0	-109.65	313.81	5.52	-104.13
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311515	0	35	-2.0	-100.70	310.09	3.04	-97.66
COC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC(C(=O)[O-])=C1OC	REAL300017311516	0	39	-2.0	-117.85	348.85	4.30	-113.55
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C1	REAL300017311517	0	42	-2.0	-96.69	368.45	5.66	-91.03
CCOC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017311518	0	38	-2.0	-106.32	341.95	5.39	-100.93
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C1	REAL300017311519	0	28	-2.0	-101.15	298.02	4.04	-97.11
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1	REAL300017311520	0	28	-2.0	-105.24	283.14	3.64	-101.60
CC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017311521	0	31	-2.0	-109.49	283.00	3.20	-106.29
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C1	REAL300017311522	0	37	-2.0	-122.30	332.69	4.26	-118.04
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C1	REAL300017311523	0	41	-2.0	-94.74	372.55	5.65	-89.09
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300017311524	0	35	-2.0	-92.21	339.93	5.24	-86.97
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)C1	REAL300017311525	0	41	-2.0	-93.86	382.36	6.14	-87.72
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1OCC(=O)[O-]	REAL300017311526	0	38	-2.0	-92.46	343.95	5.39	-87.07
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC=C1OCCCC(=O)[O-]	REAL300017311527	0	44	-2.0	-93.55	386.41	6.33	-87.22
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017311528	0	31	-2.0	-107.84	318.21	5.34	-102.50
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C1	REAL300017311529	0	31	-2.0	-88.66	315.08	5.22	-83.44
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C1	REAL300017311530	0	28	-2.0	-95.47	300.20	4.50	-90.97
CC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C)=C1C(=O)[O-]	REAL300017311531	0	37	-2.0	-122.94	310.81	5.42	-117.52
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311532	0	34	-2.0	-92.19	297.44	4.86	-87.33
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300017311533	0	31	-2.0	-109.80	311.83	5.10	-104.70
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C1	REAL300017311534	0	31	-2.0	-108.97	296.94	4.55	-104.42
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311535	0	34	-2.0	-91.96	313.19	5.35	-86.61
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300017311536	0	31	-2.0	-104.67	291.85	4.67	-100.00
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300017311537	0	31	-2.0	-93.59	297.34	4.44	-89.15
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311538	0	34	-2.0	-93.16	311.76	5.31	-87.85
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C1	REAL300017311539	0	31	-2.0	-110.04	311.24	5.02	-105.02
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017311540	0	31	-2.0	-107.28	308.89	4.93	-102.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1F	REAL300017311541	0	34	-2.0	-94.17	317.02	5.05	-89.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1Br	REAL300017311542	0	34	-2.0	-94.27	320.12	5.45	-88.82
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C1	REAL300017311607	0	31	-2.0	-101.26	312.94	5.37	-95.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311608	0	35	-2.0	-100.53	318.95	4.25	-96.28
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)C1	REAL300017311609	0	32	-2.0	-101.25	301.61	2.45	-98.80
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300017311610	0	35	-2.0	-103.16	321.99	5.78	-97.38
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C1	REAL300017311611	0	31	-2.0	-93.29	301.95	4.89	-88.40
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300017311612	0	37	-2.0	-103.28	334.13	6.08	-97.20
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300017311613	0	31	-2.0	-93.72	296.72	4.42	-89.30
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300017311614	0	34	-2.0	-117.20	312.73	5.27	-111.93
COC1=CC=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017311615	0	35	-2.0	-105.74	320.09	4.48	-101.26
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300017311616	0	35	-2.0	-102.63	321.61	4.77	-97.86
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C1	REAL300017311617	0	35	-2.0	-93.86	330.12	4.76	-89.10
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300017311618	0	31	-2.0	-106.93	290.14	4.37	-102.56
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300017311619	0	31	-2.0	-90.57	305.31	4.80	-85.77
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311620	0	34	-2.0	-104.21	316.32	5.05	-99.16
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C1	REAL300017311621	0	39	-2.0	-99.12	354.28	5.90	-93.22
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300017311622	0	31	-2.0	-87.76	303.05	4.47	-83.29
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC(C(=O)[O-])=C1C	REAL300017311623	0	37	-2.0	-117.02	323.43	5.56	-111.46
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300017311624	0	33	-2.0	-104.20	318.73	5.16	-99.04
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)C1	REAL300017311625	0	31	-2.0	-92.51	306.45	4.91	-87.60
COC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C(Cl)C=C1C(=O)[O-]	REAL300017311626	0	35	-2.0	-96.60	327.12	4.89	-91.71
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300017311627	0	31	-2.0	-89.80	309.05	4.90	-84.90
CC1=C(Br)C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017311628	0	34	-2.0	-111.18	328.44	5.65	-105.53
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311629	0	34	-2.0	-93.39	315.81	5.40	-87.99
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC(C(=O)[O-])=C1F	REAL300017311630	0	34	-2.0	-117.31	315.37	5.14	-112.17
CC1=CC(F)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017311631	0	34	-2.0	-93.69	312.76	4.97	-88.72
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1Cl	REAL300017311632	0	34	-2.0	-94.28	318.54	5.36	-88.92
CC1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=CC(C(=O)[O-])=C1Cl	REAL300017311633	0	34	-2.0	-114.55	321.76	5.44	-109.11
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311634	0	34	-2.0	-91.85	308.64	5.25	-86.60
COC1=CC(Cl)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017311635	0	35	-2.0	-98.94	327.01	4.84	-94.10
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C1	REAL300017311636	0	35	-2.0	-105.36	328.61	4.95	-100.41
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C1	REAL300017311637	0	33	-2.0	-89.48	304.76	5.43	-84.05
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300017311638	0	28	-2.0	-93.96	283.24	3.57	-90.39
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300017311639	0	34	-2.0	-97.46	314.99	5.19	-92.27
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C1	REAL300017311640	0	33	-2.0	-104.63	319.38	5.50	-99.13
CC1=CC(C)=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C)=C1CC(=O)[O-]	REAL300017311641	0	43	-2.0	-97.03	355.17	7.13	-89.90
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C1	REAL300017311642	0	33	-2.0	-108.07	308.56	5.94	-102.13
CC(C)(C)C1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017311643	0	40	-2.0	-108.89	344.02	6.62	-102.27
CC1=C(Cl)C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017311644	0	34	-2.0	-110.81	324.34	5.56	-105.25
CC1=C(F)C=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017311645	0	34	-2.0	-109.96	315.50	5.16	-104.80
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C1	REAL300017311646	0	37	-2.0	-124.48	331.58	6.61	-117.87
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C1	REAL300017311751	0	31	-2.0	-100.52	300.84	4.43	-96.09
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1OC	REAL300017311753	0	42	-2.0	-99.32	368.50	5.05	-94.27
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311754	0	35	-2.0	-108.71	312.35	4.48	-104.23
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C1	REAL300017311755	0	31	-2.0	-104.38	294.90	4.39	-99.99
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C1	REAL300017311768	0	33	-3.0	-165.85	321.22	4.98	-160.87
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311769	0	35	-2.0	-101.11	319.74	3.51	-97.60
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300017311770	0	31	-3.0	-169.29	296.94	3.04	-166.25
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C1	REAL300017311770	1	32	-2.0	-96.91	297.44	2.32	-94.59
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300017311771	0	30	-2.0	-93.45	286.80	2.70	-90.75
CC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C(C(=O)[O-])=NN1	REAL300017311772	0	31	-2.0	-124.25	283.48	2.39	-121.86
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(C)(C(=O)[O-])C1	REAL300017311773	0	34	-2.0	-99.42	305.84	5.04	-94.38
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C1	REAL300017311774	0	28	-2.0	-89.28	290.26	3.29	-85.99
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300017311809	0	35	-2.0	-97.48	336.59	4.96	-92.52
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300017311815	0	29	-2.0	-90.66	301.33	3.49	-87.17
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)C1	REAL300017311865	0	31	-2.0	-108.97	299.90	4.49	-104.48
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C1	REAL300017311866	0	31	-2.0	-109.64	301.36	4.58	-105.06
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300017311894	1	34	-2.0	-89.92	318.88	1.57	-88.35
CCOC(=O)C1=CC(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)=N[N-]1	REAL300017311894	1	34	-2.0	-89.94	319.04	1.57	-88.37
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C1	REAL300017311957	0	38	-2.0	-122.72	334.61	6.36	-116.36
CCC1=C(S(=O)(=O)N2CC(C)(C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017311968	0	34	-2.0	-95.04	312.28	4.15	-90.89
CCN1C=C(S(=O)(=O)NCC2=CC(C(=O)[O-])=C3CCCCN23)C=C1C(=O)[O-]	REAL300017311973	0	46	-2.0	-118.01	398.92	6.92	-111.09
O=C([O-])C1=C2CCCCN2C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2)=C1	REAL300017311976	0	42	-2.0	-118.23	370.90	6.71	-111.52
CC1=CC=C(S(=O)(=O)NCC2=CC(C(=O)[O-])=C3CCCCN23)C=C1C(=O)[O-]	REAL300017311977	0	45	-2.0	-119.87	390.97	7.36	-112.51
O=C([O-])C1=C2CCCCN2C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300017311978	0	42	-2.0	-110.93	370.87	6.71	-104.22
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CC(C(=O)[O-])=C3CCCCN23)S1	REAL300017311979	0	42	-2.0	-105.94	385.47	6.66	-99.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC(C(=O)[O-])=C2CCCCN12	REAL300017311980	0	45	-2.0	-110.62	385.52	7.60	-103.02
O=C([O-])C1=CSC(S(=O)(=O)NCC2=CC(C(=O)[O-])=C3CCCCN23)=C1	REAL300017311981	0	39	-2.0	-113.20	364.06	5.72	-107.48
CN1C=C(S(=O)(=O)NCC2=CC(C(=O)[O-])=C3CCCCN23)C=C1C(=O)[O-]	REAL300017311982	0	43	-2.0	-117.24	377.54	6.05	-111.19
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCC2=CC(C(=O)[O-])=C3CCCCN23)=C1	REAL300017311983	0	42	-2.0	-108.24	380.03	6.40	-101.84
CC1=C(C(=O)[O-])C(S(=O)(=O)NCC2=CC(C(=O)[O-])=C3CCCCN23)=C(C)O1	REAL300017311984	0	45	-2.0	-112.45	385.30	7.10	-105.35
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=CC(C(=O)[O-])=C2CCCCN12	REAL300017311985	0	45	-2.0	-116.42	380.01	7.49	-108.93
CC1=CC(S(=O)(=O)NCC2=CC(C(=O)[O-])=C3CCCCN23)=CC=C1C(=O)[O-]	REAL300017311986	0	45	-2.0	-109.91	386.90	7.24	-102.67
CN1C=C(S(=O)(=O)[N-]CC2=CC(C(=O)[O-])=C3CCCCN23)C(=O)N(C)C1=O	REAL300017311991	1	45	-2.0	-117.38	386.77	4.78	-112.60
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017329358	1	34	-2.0	-113.89	331.40	5.03	-108.86
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)=C1F	REAL300017329364	1	39	-2.0	-121.33	358.80	5.11	-116.22
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)O1	REAL300017329387	1	39	-2.0	-115.52	340.64	3.33	-112.19
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)=C1F	REAL300017329405	1	39	-2.0	-120.79	348.48	4.66	-116.13
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)O1	REAL300017329476	1	36	-2.0	-113.87	320.21	2.83	-111.04
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017329478	0	35	-2.0	-136.07	304.50	5.83	-130.24
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017329481	1	33	-2.0	-126.89	302.49	4.89	-122.00
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017329489	0	35	-2.0	-124.72	332.29	6.72	-118.00
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)O1	REAL300017329502	1	39	-2.0	-116.73	341.09	4.64	-112.09
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017329507	1	36	-2.0	-122.73	316.31	6.10	-116.63
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017329508	1	35	-2.0	-117.29	322.57	6.00	-111.29
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017329511	1	30	-2.0	-122.65	291.99	4.50	-118.15
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017329516	1	32	-2.0	-111.84	306.35	3.22	-108.62
CCN1C=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300017329520	1	38	-2.0	-121.96	334.38	4.88	-117.08
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017329521	1	35	-2.0	-125.60	315.86	5.24	-120.36
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017329524	1	35	-2.0	-119.92	324.67	6.02	-113.90
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017329526	1	41	-2.0	-99.11	341.83	1.22	-97.89
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017329544	1	35	-2.0	-135.85	315.64	6.23	-129.62
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)C(=O)NC1=O	REAL300017329566	1	51	-2.0	-118.04	416.88	4.76	-113.28
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017329572	1	30	-2.0	-120.52	283.12	2.99	-117.53
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017329574	1	30	-2.0	-112.57	311.15	4.18	-108.39
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017329589	0	34	-2.0	-121.35	314.47	4.63	-116.72
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017329607	1	32	-2.0	-109.59	302.41	3.09	-106.50
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017329633	1	33	-2.0	-111.16	316.75	5.04	-106.12
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300017329660	1	37	-2.0	-125.83	318.67	3.61	-122.22
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017329676	1	33	-2.0	-121.63	292.48	4.15	-117.48
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329693	0	39	-2.0	-105.05	333.23	5.62	-99.43
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017329694	0	36	-2.0	-99.82	329.21	5.21	-94.61
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017329695	0	43	-2.0	-96.82	359.30	3.73	-93.09
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329696	0	44	-2.0	-108.11	354.21	6.35	-101.76
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329697	0	43	-2.0	-111.01	344.62	5.13	-105.88
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1CC(=O)[O-]	REAL300017329698	0	43	-2.0	-103.97	351.47	5.28	-98.69
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017329699	0	42	-2.0	-116.02	347.13	6.18	-109.84
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329700	0	40	-2.0	-105.04	326.35	3.68	-101.36
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC(C(=O)[O-])=C1OC	REAL300017329701	0	44	-2.0	-104.06	361.09	4.88	-99.18
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017329702	0	47	-2.0	-97.16	379.02	6.16	-91.00
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017329703	0	43	-2.0	-121.62	350.19	6.13	-115.49
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017329704	0	33	-2.0	-111.04	294.24	4.17	-106.87
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C(C(=O)[O-])O1	REAL300017329705	0	36	-2.0	-108.08	305.48	3.91	-104.17
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017329706	0	42	-2.0	-108.81	342.91	4.90	-103.91
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017329707	0	46	-2.0	-102.42	382.42	6.37	-96.05
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017329708	0	40	-2.0	-99.61	349.78	5.93	-93.68
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1OCC(=O)[O-]	REAL300017329709	0	43	-2.0	-98.06	364.08	5.71	-92.35
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC=C1OCCCC(=O)[O-]	REAL300017329710	0	49	-2.0	-100.89	396.26	7.04	-93.85
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017329711	0	36	-2.0	-95.19	340.63	5.55	-89.64
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017329712	0	36	-2.0	-97.31	317.44	5.85	-91.46
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1C(=O)[O-]	REAL300017329713	0	42	-2.0	-122.67	335.15	6.36	-116.31
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329714	0	39	-2.0	-107.09	317.65	5.48	-101.61
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017329715	0	36	-2.0	-107.46	322.70	5.77	-101.69
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017329716	0	36	-2.0	-102.37	319.36	4.77	-97.60
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017329717	0	36	-2.0	-94.26	325.47	5.26	-89.00
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017329718	0	36	-2.0	-97.25	317.43	4.75	-92.50
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329719	0	39	-2.0	-106.47	342.01	6.03	-100.44
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017329720	0	36	-2.0	-97.77	323.46	5.60	-92.17
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017329721	0	36	-2.0	-95.26	319.75	5.62	-89.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1F	REAL300017329722	0	39	-2.0	-104.88	320.31	5.60	-99.28
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017329746	1	36	-2.0	-124.54	310.45	4.42	-120.12
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017329794	0	36	-2.0	-98.70	318.30	5.76	-92.94
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329795	0	40	-2.0	-109.62	322.22	4.35	-105.27
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017329796	0	37	-2.0	-115.41	309.55	3.17	-112.24
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017329797	0	40	-2.0	-101.89	334.31	6.44	-95.45
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017329798	0	36	-2.0	-106.66	327.76	5.48	-101.18
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017329799	0	42	-2.0	-98.48	356.51	6.31	-92.17
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017329800	0	36	-2.0	-102.46	307.51	4.35	-98.11
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017329801	0	39	-2.0	-102.75	322.91	5.91	-96.84
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017329802	0	40	-2.0	-109.53	329.95	5.20	-104.33
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017329803	0	40	-2.0	-97.86	344.04	5.00	-92.86
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017329804	0	40	-2.0	-101.26	339.97	5.46	-95.80
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017329805	0	36	-2.0	-96.39	307.50	4.36	-92.03
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017329806	0	36	-2.0	-96.60	315.15	5.52	-91.08
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329807	0	39	-2.0	-116.70	319.59	5.60	-111.10
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017329808	0	44	-2.0	-99.28	364.46	6.54	-92.74
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017329809	0	36	-2.0	-97.85	305.24	5.00	-92.85
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017329809	1	35	-3.0	-193.03	325.65	4.75	-188.28
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC(C(=O)[O-])=C1C	REAL300017329810	0	42	-2.0	-106.50	349.79	5.89	-100.61
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017329811	0	38	-2.0	-100.82	330.80	5.74	-95.08
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C(Cl)C=C1C(=O)[O-]	REAL300017329812	0	40	-2.0	-109.84	344.01	5.42	-104.42
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017329813	0	36	-2.0	-95.82	317.33	5.65	-90.17
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC(C(=O)[O-])=C1F	REAL300017329814	0	39	-2.0	-115.76	327.54	5.78	-109.98
CC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017329815	0	39	-2.0	-104.05	327.29	4.98	-99.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1Cl	REAL300017329816	0	39	-2.0	-103.36	324.52	5.94	-97.42
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=CC(C(=O)[O-])=C1Cl	REAL300017329817	0	39	-2.0	-108.78	344.17	5.66	-103.12
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329818	0	39	-2.0	-111.05	329.35	5.99	-105.06
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017329819	0	40	-2.0	-107.38	332.87	5.42	-101.96
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017329820	0	40	-2.0	-96.14	333.50	4.68	-91.46
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017329821	0	38	-2.0	-92.52	328.08	6.09	-86.43
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017329822	0	33	-2.0	-99.07	305.00	3.87	-95.20
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017329823	0	39	-2.0	-106.56	325.07	5.87	-100.69
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017329824	0	38	-2.0	-117.75	329.43	6.21	-111.54
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C)=C1CC(=O)[O-]	REAL300017329825	0	48	-2.0	-108.68	361.92	7.61	-101.07
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017329826	0	38	-2.0	-124.26	323.54	6.89	-117.37
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017329827	0	45	-2.0	-130.50	354.69	6.49	-124.01
CC1=C(Cl)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017329828	0	39	-2.0	-98.76	346.71	5.78	-92.98
CC1=C(F)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017329829	0	39	-2.0	-98.84	325.94	5.89	-92.95
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017329830	0	42	-2.0	-117.88	353.97	6.84	-111.04
COC(=O)C1=COC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329837	1	36	-2.0	-121.39	320.56	2.77	-118.62
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)SC=N1	REAL300017329869	0	35	-2.0	-123.47	316.00	1.94	-121.53
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017329879	1	33	-2.0	-127.59	298.92	4.74	-122.85
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017329884	1	32	-2.0	-121.13	296.65	3.65	-117.48
CC1=NC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)=C(Br)N1C	REAL300017329916	1	36	-2.0	-133.38	324.11	3.35	-130.03
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017329937	0	35	-2.0	-138.49	307.10	3.11	-135.38
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)=C1F	REAL300017329942	1	37	-2.0	-125.88	333.99	4.19	-121.69
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017329948	0	36	-2.0	-96.39	310.68	5.07	-91.32
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017329948	1	35	-3.0	-181.19	323.35	4.96	-176.23
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1OC	REAL300017329950	0	47	-2.0	-105.12	372.03	5.71	-99.41
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329951	0	40	-2.0	-100.91	321.83	5.03	-95.88
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017329952	0	36	-2.0	-116.66	298.18	4.93	-111.73
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017329967	0	38	-3.0	-177.24	329.06	5.68	-171.56
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)=C1	REAL300017329968	0	40	-2.0	-105.00	329.93	3.64	-101.36
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017329969	0	36	-3.0	-181.22	307.16	3.33	-177.89
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017329969	1	37	-2.0	-110.19	323.28	2.45	-107.74
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017329970	0	35	-2.0	-107.77	293.40	4.24	-103.53
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C(C(=O)[O-])=NN1	REAL300017329971	0	36	-2.0	-132.19	291.63	2.33	-129.86
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C	REAL300017329972	0	39	-2.0	-114.15	329.11	5.62	-108.53
CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017329973	0	33	-2.0	-97.01	292.40	3.88	-93.13
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017329976	0	30	-2.0	-118.47	282.42	2.72	-115.75
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C	REAL300017329987	1	37	-2.0	-127.91	321.84	4.72	-123.19
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017331912	1	34	-2.0	-108.38	334.25	5.10	-103.28
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300017331918	1	39	-2.0	-118.26	362.86	5.35	-112.91
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300017331941	1	39	-2.0	-120.70	340.94	3.86	-116.84
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300017331959	1	39	-2.0	-117.80	352.54	4.91	-112.89
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300017361120	1	32	-2.0	-115.12	322.11	5.28	-109.84
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)=C1F	REAL300017361126	1	37	-2.0	-131.47	350.99	5.51	-125.96
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)O1	REAL300017361149	1	37	-2.0	-124.94	323.98	4.38	-120.56
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)=C1F	REAL300017361167	1	37	-2.0	-130.49	340.66	5.07	-125.42
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)O1	REAL300017361239	1	34	-2.0	-119.94	315.46	3.12	-116.82
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1CC1	REAL300017361241	0	33	-2.0	-140.46	298.67	6.09	-134.37
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C1CC1	REAL300017361244	1	31	-2.0	-130.04	295.79	5.24	-124.80
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C1CC1	REAL300017361252	0	33	-2.0	-133.59	314.44	7.94	-125.65
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)O1	REAL300017361265	1	37	-2.0	-120.57	337.32	4.05	-116.52
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C1CC1	REAL300017361270	1	34	-2.0	-126.32	311.46	6.38	-119.94
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C1CC1	REAL300017361271	1	33	-2.0	-127.89	311.45	6.52	-121.37
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C1CC1	REAL300017361274	1	28	-2.0	-121.97	288.14	3.93	-118.04
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C1CC1	REAL300017361279	1	30	-2.0	-114.56	305.75	3.63	-110.93
CCN1C=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300017361283	1	36	-2.0	-133.50	325.17	5.21	-128.29
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C1CC1	REAL300017361284	1	33	-2.0	-137.71	307.42	5.86	-131.85
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C1CC1	REAL300017361287	1	33	-2.0	-124.91	314.00	6.42	-118.49
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017361289	1	39	-2.0	-99.00	336.65	1.44	-97.56
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1CC1	REAL300017361307	1	33	-2.0	-136.98	306.94	6.60	-130.38
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)C(=O)NC1=O	REAL300017361329	1	49	-2.0	-133.58	412.04	5.06	-128.52
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C1CC1	REAL300017361335	1	28	-2.0	-119.89	280.30	3.06	-116.83
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C1CC1	REAL300017361337	1	28	-2.0	-114.28	303.31	4.58	-109.70
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017361352	0	32	-2.0	-119.76	305.15	5.00	-114.76
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C1CC1	REAL300017361371	1	30	-2.0	-110.18	301.57	3.52	-106.66
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C1CC1	REAL300017361397	1	31	-2.0	-116.11	311.30	5.44	-110.67
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017361425	1	35	-2.0	-126.96	313.84	3.91	-123.05
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C1CC1	REAL300017361440	1	31	-2.0	-131.59	287.93	4.44	-127.15
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361457	0	37	-2.0	-104.30	325.48	5.74	-98.56
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C1CC1	REAL300017361458	0	34	-2.0	-100.38	316.17	5.85	-94.53
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361459	0	41	-2.0	-96.47	353.74	4.20	-92.27
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361460	0	42	-2.0	-107.73	349.49	5.76	-101.97
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361461	0	41	-2.0	-107.99	340.37	5.26	-102.73
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1CC(=O)[O-]	REAL300017361462	0	41	-2.0	-104.18	350.37	5.49	-98.69
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017361463	0	40	-2.0	-114.56	336.86	6.16	-108.40
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361464	0	38	-2.0	-114.00	330.01	3.61	-110.39
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC(C(=O)[O-])=C1OC	REAL300017361465	0	42	-2.0	-115.69	358.19	5.17	-110.52
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C1CC1	REAL300017361466	0	45	-2.0	-95.03	376.99	6.41	-88.62
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017361467	0	41	-2.0	-122.27	349.07	6.34	-115.93
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C1CC1	REAL300017361468	0	31	-2.0	-102.37	309.94	4.74	-97.63
O=C([O-])C[C@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1CC1	REAL300017361469	0	31	-2.0	-110.89	291.61	4.37	-106.52
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C(C(=O)[O-])O1	REAL300017361470	0	34	-2.0	-106.14	307.35	3.90	-102.24
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C1CC1	REAL300017361471	0	40	-2.0	-108.89	342.81	5.12	-103.77
O=C([O-])CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017361472	0	44	-2.0	-99.60	379.66	6.62	-92.98
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017361473	0	38	-2.0	-97.52	347.02	6.19	-91.33
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1OCC(=O)[O-]	REAL300017361474	0	41	-2.0	-99.45	351.05	6.35	-93.10
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC=C1OCCCC(=O)[O-]	REAL300017361475	0	47	-2.0	-100.57	393.50	7.28	-93.29
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C1CC1	REAL300017361476	0	34	-2.0	-105.19	327.61	6.21	-98.98
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C1CC1	REAL300017361477	0	34	-2.0	-99.58	328.29	5.92	-93.66
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C1CC1	REAL300017361478	0	31	-2.0	-104.73	304.89	4.29	-100.44
CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1C(=O)[O-]	REAL300017361479	0	40	-2.0	-103.54	338.96	6.19	-97.35
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361480	0	37	-2.0	-98.46	320.12	5.74	-92.72
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C1CC1	REAL300017361481	0	34	-2.0	-98.40	321.92	5.96	-92.44
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C1CC1	REAL300017361482	0	34	-2.0	-97.48	307.04	5.42	-92.06
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1CC1	REAL300017361483	0	34	-2.0	-104.44	313.13	5.47	-98.97
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C1CC1	REAL300017361484	0	34	-2.0	-98.52	304.44	5.40	-93.12
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361485	0	37	-2.0	-105.73	334.42	6.12	-99.61
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C1CC1	REAL300017361486	0	34	-2.0	-106.97	320.64	5.89	-101.08
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C1CC1	REAL300017361487	0	34	-2.0	-104.06	318.29	5.80	-98.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1F	REAL300017361488	0	37	-2.0	-104.81	314.29	5.80	-99.01
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CC1	REAL300017361512	1	34	-2.0	-134.17	296.30	5.40	-128.77
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C1CC1	REAL300017361559	0	34	-2.0	-100.31	325.63	5.85	-94.46
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361560	0	38	-2.0	-109.73	318.03	4.47	-105.26
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C1CC1	REAL300017361561	0	35	-2.0	-104.81	308.72	3.42	-101.39
O=C([O-])C=CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361562	0	38	-2.0	-101.58	328.74	6.91	-94.67
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C1CC1	REAL300017361563	0	34	-2.0	-99.42	313.86	5.60	-93.82
O=C([O-])CCC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361564	0	40	-2.0	-99.92	343.48	6.95	-92.97
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C1CC1	REAL300017361565	0	34	-2.0	-103.91	294.89	5.20	-98.71
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361566	0	37	-2.0	-102.85	322.08	6.15	-96.70
COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017361567	0	38	-2.0	-121.78	327.21	5.43	-116.35
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361568	0	38	-2.0	-99.04	330.98	5.65	-93.39
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017361569	0	38	-2.0	-98.57	337.21	5.71	-92.86
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C1CC1	REAL300017361570	0	34	-2.0	-99.01	294.86	5.21	-93.80
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C1CC1	REAL300017361571	0	34	-2.0	-96.25	312.41	5.76	-90.49
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361572	0	37	-2.0	-116.06	313.61	5.78	-110.28
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1	REAL300017361573	0	42	-2.0	-99.19	363.65	6.77	-92.42
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CC1	REAL300017361574	0	34	-2.0	-97.61	300.27	5.21	-92.40
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CC1	REAL300017361574	1	33	-3.0	-185.87	316.35	5.00	-180.87
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC(C(=O)[O-])=C1C	REAL300017361575	0	40	-2.0	-105.12	333.43	6.40	-98.72
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1CC1	REAL300017361576	0	36	-2.0	-100.58	328.81	6.03	-94.55
COC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C(Cl)C=C1C(=O)[O-]	REAL300017361577	0	38	-2.0	-110.54	340.37	5.53	-105.01
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C1CC1	REAL300017361578	0	34	-2.0	-95.68	316.15	5.85	-89.83
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC(C(=O)[O-])=C1F	REAL300017361579	0	37	-2.0	-115.63	325.45	6.01	-109.62
CC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017361580	0	37	-2.0	-103.90	310.06	5.69	-98.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1Cl	REAL300017361581	0	37	-2.0	-104.59	331.84	6.05	-98.54
CC1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=CC(C(=O)[O-])=C1Cl	REAL300017361582	0	37	-2.0	-113.43	331.84	6.32	-107.11
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361583	0	37	-2.0	-94.53	332.06	6.00	-88.53
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017361584	0	38	-2.0	-108.69	340.38	5.52	-103.17
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F)C1CC1	REAL300017361585	0	38	-2.0	-95.94	330.42	4.84	-91.10
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C1CC1	REAL300017361586	0	36	-2.0	-92.52	322.31	6.36	-86.16
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1CC1	REAL300017361587	0	31	-2.0	-101.58	291.90	4.47	-97.11
O=C([O-])CC1=CC=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361588	0	37	-2.0	-106.08	319.44	6.38	-99.70
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C1CC1	REAL300017361589	0	36	-2.0	-116.81	326.25	6.40	-110.41
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C)=C1CC(=O)[O-]	REAL300017361590	0	46	-2.0	-105.95	367.44	7.87	-98.08
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C1CC1	REAL300017361591	0	36	-2.0	-108.43	329.60	6.59	-101.84
CC(C)(C)C1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C(C(=O)[O-])S1	REAL300017361592	0	43	-2.0	-111.09	349.66	6.97	-104.12
CC1=C(Cl)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017361593	0	37	-2.0	-108.69	334.38	6.44	-102.25
CC1=C(F)C=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017361594	0	37	-2.0	-107.22	325.85	6.08	-101.14
O=C([O-])C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C1CC1	REAL300017361595	0	40	-2.0	-122.52	341.03	7.49	-115.03
COC(=O)C1=COC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361602	1	34	-2.0	-121.43	315.80	3.07	-118.36
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)SC=N1	REAL300017361634	0	33	-2.0	-124.03	316.36	2.09	-121.94
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C1CC1	REAL300017361644	1	31	-2.0	-130.73	292.20	5.10	-125.63
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C1CC1	REAL300017361649	1	30	-2.0	-120.39	294.86	3.76	-116.63
CC1=NC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)=C(Br)N1C	REAL300017361681	1	34	-2.0	-129.37	316.53	3.77	-125.60
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)=N1	REAL300017361702	0	33	-2.0	-140.09	303.20	3.28	-136.81
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)=C1F	REAL300017361707	1	35	-2.0	-134.47	325.09	4.55	-129.92
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C1CC1	REAL300017361712	0	34	-2.0	-96.28	304.84	5.24	-91.04
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C1CC1	REAL300017361712	1	33	-3.0	-181.63	320.55	5.01	-176.62
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1OC	REAL300017361714	0	45	-2.0	-107.38	385.94	5.45	-101.93
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361715	0	38	-2.0	-99.11	318.10	4.48	-94.63
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C1CC1	REAL300017361716	0	34	-2.0	-116.05	292.20	5.13	-110.92
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C1CC1	REAL300017361731	0	36	-3.0	-177.36	328.35	5.91	-171.45
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361732	0	38	-2.0	-102.52	334.62	3.94	-98.58
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C1CC1	REAL300017361733	0	34	-3.0	-201.16	304.49	4.18	-196.98
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C1CC1	REAL300017361733	1	35	-2.0	-109.95	314.86	2.58	-107.37
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1CC1	REAL300017361734	0	33	-2.0	-109.37	296.79	3.41	-105.96
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C(C(=O)[O-])=NN1	REAL300017361735	0	34	-2.0	-127.21	296.30	2.61	-124.60
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(=O)[O-])C1CC1	REAL300017361736	0	37	-2.0	-113.02	324.64	5.79	-107.23
O=C([O-])C[C@H](NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C1CC1	REAL300017361737	0	31	-2.0	-102.80	297.87	3.93	-98.87
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C1CC1	REAL300017361740	0	28	-2.0	-122.38	277.89	3.00	-119.38
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CC1	REAL300017361752	1	35	-2.0	-121.70	311.80	4.84	-116.86
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361775	0	34	-2.0	-119.87	325.31	4.31	-115.56
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1)C1CC1	REAL300017361778	0	38	-2.0	-111.70	343.70	5.91	-105.79
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C1CC1	REAL300017361783	1	34	-2.0	-134.33	305.33	3.50	-130.83
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300017361785	0	32	-2.0	-104.34	298.93	4.70	-99.64
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F)C1CC1	REAL300017361845	0	34	-2.0	-115.48	296.72	5.16	-110.32
O=C([O-])C[C@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)C1CC1	REAL300017361846	0	34	-2.0	-106.04	310.76	5.46	-100.58
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C1CC1	REAL300017361855	0	31	-2.0	-124.94	305.69	5.20	-119.74
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C1CC1	REAL300017361856	1	33	-2.0	-120.95	317.15	3.59	-117.36
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CC1	REAL300017361860	1	35	-2.0	-135.32	328.00	5.29	-130.03
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C1CC1	REAL300017361863	1	31	-2.0	-121.59	303.69	4.92	-116.67
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=C1	REAL300017361876	1	37	-2.0	-102.64	328.69	2.53	-100.11
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)=N[N-]1	REAL300017361876	1	37	-2.0	-102.61	328.81	2.54	-100.07
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CC1	REAL300017361887	1	35	-2.0	-120.06	325.96	5.42	-114.64
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C1CC1	REAL300017361894	1	28	-2.0	-111.53	300.99	4.42	-107.11
O=C([O-])C[C@H](NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C1CC1	REAL300017361953	0	41	-2.0	-100.83	345.39	7.26	-93.57
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1CC1	REAL300017361957	1	38	-2.0	-127.97	343.88	5.37	-122.60
CCC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)C=C(C(=O)[O-])O1	REAL300017361965	0	37	-2.0	-105.48	330.32	4.75	-100.73
CCN1C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017361970	0	35	-2.0	-103.06	319.02	4.31	-98.75
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017361971	0	40	-2.0	-125.88	345.11	6.29	-119.59
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017361972	0	41	-2.0	-122.59	346.31	6.79	-115.80
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017361973	0	38	-2.0	-124.24	333.92	6.00	-118.24
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017361975	0	31	-2.0	-95.29	288.68	4.04	-91.25
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300017361976	0	31	-2.0	-123.48	303.53	4.48	-119.00
CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017361977	0	34	-2.0	-100.89	307.05	4.64	-96.25
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1C	REAL300017361978	0	37	-2.0	-123.63	322.59	5.52	-118.11
O=C([O-])CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017361979	0	31	-2.0	-104.99	305.58	4.04	-100.95
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017361980	0	34	-2.0	-121.74	305.67	4.99	-116.75
O=C([O-])C1=CSC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017361981	0	28	-2.0	-100.29	284.21	3.12	-97.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017361982	0	37	-2.0	-121.27	321.60	5.86	-115.41
CN1C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017361983	0	32	-2.0	-102.32	297.65	3.44	-98.88
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017361984	0	31	-2.0	-110.67	300.14	3.78	-106.89
CC1=C(C(=O)[O-])C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(C)O1	REAL300017361985	0	34	-2.0	-137.18	305.41	4.47	-132.71
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(Cl)C=C1F	REAL300017361986	0	31	-2.0	-94.57	291.25	4.02	-90.55
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017361987	0	34	-2.0	-103.85	300.21	4.85	-99.00
CCC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017361988	0	37	-2.0	-128.09	323.99	5.25	-122.84
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300017361989	0	34	-2.0	-105.69	310.83	4.72	-100.97
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(Br)=C1	REAL300017361990	0	31	-2.0	-101.43	307.38	4.84	-96.59
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300017361991	0	34	-2.0	-101.29	321.11	4.90	-96.39
CN1C=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])C(=O)N(C)C1=O	REAL300017361997	1	34	-2.0	-123.31	307.10	2.18	-121.13
N#CC1=CC(F)=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])C=C1Br	REAL300017362320	1	29	-2.0	-111.60	305.51	4.08	-107.52
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])=C1F	REAL300017362324	1	34	-2.0	-122.40	335.66	4.33	-118.07
NC(=O)C1=CC(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])=C(F)C=C1Br	REAL300017362340	1	32	-2.0	-113.43	316.74	0.61	-112.82
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])O1	REAL300017362347	1	34	-2.0	-114.95	316.99	2.50	-112.45
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])=C1F	REAL300017362363	1	34	-2.0	-121.88	325.33	3.88	-118.00
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017362408	1	28	-2.0	-112.09	294.09	4.66	-107.43
COC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])O1	REAL300017362436	1	31	-2.0	-113.87	300.05	1.95	-111.92
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017362437	0	30	-2.0	-138.11	285.53	4.86	-133.25
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017362440	1	28	-2.0	-126.18	279.18	4.07	-122.11
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017362448	0	30	-2.0	-121.12	311.26	5.89	-115.23
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])O1	REAL300017362461	1	34	-2.0	-114.03	321.91	2.88	-111.15
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017362465	1	31	-2.0	-124.92	298.89	5.30	-119.62
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017362466	1	30	-2.0	-122.84	300.34	5.38	-117.46
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017362469	1	25	-2.0	-119.92	272.81	2.72	-117.20
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017362474	1	27	-2.0	-112.11	290.12	2.46	-109.65
CCN1C=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017362478	1	33	-2.0	-125.35	310.83	4.04	-121.31
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017362479	1	30	-2.0	-129.03	293.90	4.55	-124.48
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017362482	1	30	-2.0	-125.34	302.88	5.41	-119.93
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(F)=C1	REAL300017362484	1	36	-2.0	-100.94	330.95	0.10	-100.84
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017362502	1	30	-2.0	-133.40	294.50	5.38	-128.02
CCCCCCN1C=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])C(=O)NC1=O	REAL300017362523	1	46	-2.0	-122.56	396.72	3.91	-118.65
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017362529	1	25	-2.0	-114.19	264.89	1.87	-112.32
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017362531	1	25	-2.0	-112.79	287.99	3.41	-109.38
N#CC1=CC(F)=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])C(F)=C1	REAL300017362547	0	29	-2.0	-118.41	289.82	3.82	-114.59
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362563	0	43	-2.0	-106.67	380.96	0.55	-106.12
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017362565	1	27	-2.0	-109.48	285.93	2.33	-107.15
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017362587	1	28	-2.0	-114.23	301.16	4.27	-109.96
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017362590	1	28	-2.0	-112.73	294.71	4.26	-108.47
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])C(F)=C1	REAL300017362620	1	32	-2.0	-125.16	298.49	2.73	-122.43
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362654	0	34	-2.0	-113.60	310.78	5.04	-108.56
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1Br	REAL300017362655	0	31	-2.0	-122.70	307.27	4.58	-118.12
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362656	0	38	-2.0	-100.53	347.47	2.68	-97.85
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362657	0	39	-2.0	-95.44	333.84	5.27	-90.17
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362658	0	38	-2.0	-98.10	327.20	4.62	-93.48
COC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1CC(=O)[O-]	REAL300017362659	0	38	-2.0	-107.56	341.49	4.23	-103.33
CC1=CC(C)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017362660	0	37	-2.0	-122.30	321.52	5.55	-116.75
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362661	0	35	-2.0	-123.40	315.29	2.93	-120.47
COC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017362662	0	39	-2.0	-103.38	348.35	3.87	-99.51
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017362663	0	42	-2.0	-98.26	367.95	5.17	-93.09
CCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017362664	0	38	-2.0	-106.84	340.16	5.07	-101.77
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(Br)S1	REAL300017362665	0	28	-2.0	-93.81	283.71	3.25	-90.56
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CS1	REAL300017362666	0	28	-2.0	-100.59	281.70	3.08	-97.51
CC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017362667	0	31	-2.0	-116.62	295.45	3.19	-113.43
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC2=C1OCCO2	REAL300017362668	0	37	-2.0	-107.85	332.21	3.82	-104.03
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362669	0	41	-2.0	-99.38	370.76	5.34	-94.04
O=C([O-])COC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Cl	REAL300017362670	0	35	-2.0	-103.67	338.13	4.92	-98.75
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Cl	REAL300017362671	0	41	-2.0	-98.80	380.57	5.83	-92.97
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017362672	0	38	-2.0	-103.02	342.16	5.08	-97.94
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017362673	0	44	-2.0	-101.13	384.61	6.01	-95.12
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC(Cl)=C1Cl	REAL300017362674	0	31	-2.0	-95.71	317.72	4.91	-90.80
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362675	0	31	-2.0	-92.61	301.89	4.45	-88.16
O=C([O-])C1=CC(Br)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362676	0	28	-2.0	-103.64	298.77	3.95	-99.69
CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017362677	0	37	-2.0	-108.02	324.42	5.62	-102.40
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362678	0	34	-2.0	-107.96	305.69	5.00	-102.96
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362679	0	31	-2.0	-118.26	311.35	4.68	-113.58
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362680	0	31	-2.0	-117.20	296.47	4.13	-113.07
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362681	0	34	-2.0	-99.49	321.47	5.45	-94.04
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300017362682	0	31	-2.0	-101.92	288.75	4.04	-97.88
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362683	0	31	-2.0	-108.89	295.54	4.14	-104.75
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362684	0	34	-2.0	-114.78	319.48	5.42	-109.36
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC(Cl)=C1F	REAL300017362685	0	31	-2.0	-97.87	310.75	4.59	-93.28
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC(F)=C1Cl	REAL300017362686	0	31	-2.0	-95.91	308.40	4.50	-91.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1F	REAL300017362687	0	34	-2.0	-98.35	306.98	4.42	-93.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1Br	REAL300017362688	0	34	-2.0	-114.34	324.61	5.38	-108.96
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300017362753	0	31	-2.0	-92.58	299.31	4.38	-88.20
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362754	0	35	-2.0	-96.51	304.87	3.83	-92.68
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1O	REAL300017362755	0	32	-2.0	-102.90	299.82	2.14	-100.76
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362756	0	35	-2.0	-105.53	322.46	5.39	-100.14
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362757	0	31	-2.0	-112.31	307.43	4.84	-107.47
O=C([O-])CCC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362758	0	37	-2.0	-100.86	334.58	5.68	-95.18
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362759	0	31	-2.0	-98.13	288.98	3.84	-94.29
O=C([O-])CC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362760	0	34	-2.0	-102.77	313.18	4.88	-97.89
COC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017362761	0	35	-2.0	-106.35	318.30	4.16	-102.19
O=C([O-])COC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362762	0	35	-2.0	-102.26	322.07	4.38	-97.88
O=C([O-])COC1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1F	REAL300017362763	0	35	-2.0	-106.25	328.33	4.45	-101.80
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(F)=C1	REAL300017362764	0	31	-2.0	-105.96	289.05	3.86	-102.10
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Cl	REAL300017362765	0	31	-2.0	-104.74	303.51	4.49	-100.25
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362766	0	34	-2.0	-134.27	306.38	4.42	-129.85
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1	REAL300017362767	0	39	-2.0	-102.11	354.74	5.50	-96.61
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362768	0	31	-2.0	-96.06	292.97	3.84	-92.22
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362768	1	30	-3.0	-178.64	300.70	3.83	-174.81
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017362769	0	37	-2.0	-103.51	328.56	5.29	-98.22
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362770	0	33	-2.0	-96.08	319.21	4.76	-91.32
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(Br)C=C1F	REAL300017362771	0	31	-2.0	-112.16	310.97	4.84	-107.32
COC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017362772	0	35	-2.0	-106.54	313.96	4.05	-102.49
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1Br	REAL300017362773	0	31	-2.0	-103.80	307.25	4.60	-99.20
CC1=C(Br)C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017362774	0	34	-2.0	-120.95	327.89	5.22	-115.73
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362775	0	34	-2.0	-115.10	323.50	5.51	-109.59
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017362776	0	34	-2.0	-101.58	314.87	4.71	-96.87
CC1=CC(F)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017362777	0	34	-2.0	-97.95	302.72	4.32	-93.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1Cl	REAL300017362778	0	34	-2.0	-95.54	305.43	4.58	-90.96
CC1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017362779	0	34	-2.0	-99.20	321.27	5.02	-94.18
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362780	0	34	-2.0	-99.41	316.90	5.35	-94.06
COC1=CC(Cl)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017362781	0	35	-2.0	-99.82	313.98	4.06	-95.76
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(OC(F)(F)F)=C1	REAL300017362782	0	35	-2.0	-100.94	314.84	4.35	-96.59
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300017362783	0	33	-2.0	-97.44	307.41	5.56	-91.88
O=C([O-])C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362784	0	28	-2.0	-109.21	282.30	3.19	-106.02
O=C([O-])CC1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362785	0	34	-2.0	-129.66	313.19	4.87	-124.79
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017362786	0	33	-2.0	-132.92	317.58	5.19	-127.73
CC1=CC(C)=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017362787	0	43	-2.0	-104.00	350.48	6.69	-97.31
O=C([O-])C1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300017362788	0	33	-2.0	-108.16	316.98	6.02	-102.14
CC(C)(C)C1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017362789	0	40	-2.0	-117.19	341.70	5.88	-111.31
CC1=C(Cl)C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017362790	0	34	-2.0	-120.69	323.79	5.13	-115.56
CC1=C(F)C=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017362791	0	34	-2.0	-119.34	314.99	4.74	-114.60
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC2=CC=CC=C21	REAL300017362792	0	37	-2.0	-136.00	331.08	6.19	-129.81
COC(=O)C1=COC(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362799	1	31	-2.0	-118.35	300.40	1.89	-116.46
COC(=O)C1=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])SC=N1	REAL300017362825	0	30	-2.0	-129.36	297.53	1.54	-127.82
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017362833	1	28	-2.0	-127.08	275.60	3.93	-123.15
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017362837	1	27	-2.0	-117.77	279.50	2.59	-115.18
CC1=NC(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])=C(Br)N1C	REAL300017362868	1	31	-2.0	-129.34	301.12	2.60	-126.74
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362871	0	31	-2.0	-111.74	324.84	3.67	-108.07
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])=N1	REAL300017362890	0	30	-2.0	-133.68	287.59	2.14	-131.54
COC1=CC=C(Br)C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])=C1F	REAL300017362894	1	32	-2.0	-127.51	309.43	3.40	-124.11
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(F)C(F)=C1F	REAL300017362897	0	31	-2.0	-96.00	297.36	3.86	-92.14
O=C([O-])C1=CC(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])=C(F)C(F)=C1F	REAL300017362897	1	30	-3.0	-174.05	305.13	3.84	-170.21
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1OC	REAL300017362899	0	42	-2.0	-103.97	360.26	4.69	-99.28
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362900	0	35	-2.0	-99.46	302.17	3.98	-95.48
O=C([O-])C1=CC=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1F	REAL300017362901	0	31	-2.0	-133.96	284.96	3.75	-130.21
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362914	0	33	-3.0	-191.24	318.46	4.63	-186.61
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362915	0	35	-2.0	-107.12	319.69	3.21	-103.91
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362916	0	31	-3.0	-191.40	288.62	2.78	-188.62
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362916	1	32	-2.0	-118.11	299.50	1.79	-116.32
O=C([O-])C1=CC=NC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362917	0	30	-2.0	-99.75	284.47	2.43	-97.32
CC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(C(=O)[O-])=NN1	REAL300017362918	0	31	-2.0	-140.46	282.29	1.87	-138.59
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362919	0	34	-2.0	-122.01	310.15	5.04	-116.97
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=C(Cl)O1	REAL300017362920	0	28	-2.0	-96.36	278.81	2.63	-93.73
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017362923	0	25	-2.0	-117.56	261.17	1.87	-115.69
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362933	1	32	-2.0	-124.39	300.50	3.83	-120.56
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])=C1	REAL300017362951	0	31	-2.0	-110.59	318.19	2.51	-108.08
O=C([O-])C1=CC(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])=CC=C1OC(F)(F)F	REAL300017362955	0	35	-2.0	-99.75	334.80	4.64	-95.11
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017362959	1	31	-2.0	-129.84	289.96	2.37	-127.47
O=C([O-])[C@H]1C[C@H]1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017362961	0	29	-2.0	-109.61	293.18	3.24	-106.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365074	0	35	-2.0	-122.90	294.03	6.34	-116.56
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1Br	REAL300017365075	0	32	-2.0	-126.90	307.49	6.92	-119.98
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365076	0	39	-2.0	-104.32	347.98	4.98	-99.34
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365077	0	40	-2.0	-120.71	339.81	7.03	-113.68
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365078	0	39	-2.0	-122.80	331.15	6.55	-116.25
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1CC(=O)[O-]	REAL300017365079	0	39	-2.0	-110.08	341.71	6.56	-103.52
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017365080	0	38	-2.0	-136.63	308.35	6.89	-129.74
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365081	0	36	-2.0	-134.82	296.92	4.28	-130.54
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017365082	0	40	-2.0	-131.24	349.85	6.21	-125.03
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2)C1	REAL300017365083	0	43	-2.0	-99.92	364.14	7.04	-92.88
CCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017365084	0	39	-2.0	-138.64	340.38	7.42	-131.22
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C(Br)S1	REAL300017365085	0	29	-2.0	-119.83	288.56	5.30	-114.53
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CS1	REAL300017365086	0	29	-2.0	-105.69	282.90	5.47	-100.22
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017365087	0	32	-2.0	-124.16	282.41	4.91	-119.25
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC2=C1OCCO2	REAL300017365088	0	38	-2.0	-136.62	328.23	5.74	-130.88
O=C([O-])CCCOC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300017365089	0	42	-2.0	-99.76	365.66	7.18	-92.58
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Cl	REAL300017365090	0	36	-2.0	-107.39	338.34	7.23	-100.16
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017365091	0	39	-2.0	-107.30	342.34	7.41	-99.89
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017365092	0	45	-2.0	-107.62	384.79	8.34	-99.28
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(Cl)=C1Cl	REAL300017365093	0	32	-2.0	-121.75	313.95	6.78	-114.97
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365094	0	32	-2.0	-115.61	302.85	6.53	-109.08
O=C([O-])C1=CC(Br)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300017365095	0	29	-2.0	-105.33	303.78	6.23	-99.10
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017365096	0	38	-2.0	-106.83	306.73	6.87	-99.96
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365097	0	35	-2.0	-111.03	289.26	6.17	-104.86
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365098	0	32	-2.0	-123.96	307.35	6.58	-117.38
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365099	0	32	-2.0	-122.15	292.46	6.03	-116.12
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300017365100	0	32	-2.0	-102.05	287.52	6.07	-95.98
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300017365101	0	32	-2.0	-109.45	295.70	6.46	-102.99
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365102	0	35	-2.0	-124.64	302.69	6.72	-117.92
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(Cl)=C1F	REAL300017365103	0	32	-2.0	-123.60	306.98	6.46	-117.14
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(F)=C1Cl	REAL300017365104	0	32	-2.0	-120.26	304.63	6.37	-113.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1F	REAL300017365105	0	35	-2.0	-123.62	306.33	6.52	-117.10
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300017365174	0	32	-2.0	-120.53	304.50	6.44	-114.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365175	0	36	-2.0	-133.18	308.84	5.78	-127.40
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1O	REAL300017365176	0	33	-2.0	-132.61	300.01	4.47	-128.14
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365177	0	36	-2.0	-109.79	322.97	7.68	-102.11
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365178	0	32	-2.0	-122.85	290.00	6.12	-116.73
O=C([O-])CCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365179	0	38	-2.0	-104.12	329.82	7.49	-96.63
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365180	0	32	-2.0	-121.91	286.21	5.86	-116.05
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365181	0	35	-2.0	-111.41	313.70	7.19	-104.22
COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017365182	0	36	-2.0	-112.70	318.52	6.51	-106.19
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365183	0	36	-2.0	-103.87	317.01	6.21	-97.66
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300017365184	0	36	-2.0	-109.39	328.53	6.76	-102.63
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(F)=C1	REAL300017365185	0	32	-2.0	-100.91	286.07	5.90	-95.01
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Cl	REAL300017365186	0	32	-2.0	-106.17	303.67	6.83	-99.34
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365187	0	35	-2.0	-105.30	305.70	6.51	-98.79
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300017365188	0	40	-2.0	-104.78	355.26	7.80	-96.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365189	0	32	-2.0	-112.33	292.42	5.96	-106.37
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017365190	0	38	-2.0	-136.78	321.09	7.03	-129.75
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365191	0	34	-2.0	-96.77	314.13	6.60	-90.17
COC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017365192	0	36	-2.0	-108.25	323.94	6.73	-101.52
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1Br	REAL300017365193	0	32	-2.0	-105.45	307.41	6.92	-98.53
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017365194	0	35	-2.0	-106.48	316.07	7.07	-99.41
CC1=CC(F)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017365195	0	35	-2.0	-123.38	302.14	6.43	-116.95
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1Cl	REAL300017365196	0	35	-2.0	-124.50	306.13	6.64	-117.86
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017365197	0	35	-2.0	-105.03	322.46	7.39	-97.64
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365198	0	35	-2.0	-98.98	300.96	6.71	-92.27
COC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017365199	0	36	-2.0	-129.27	314.79	6.16	-123.11
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(OC(F)(F)F)=C1	REAL300017365200	0	36	-2.0	-101.98	325.77	6.25	-95.73
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300017365201	0	34	-2.0	-106.85	304.52	7.27	-99.58
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300017365202	0	29	-2.0	-111.87	283.60	5.55	-106.32
O=C([O-])CC1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365203	0	35	-2.0	-112.00	313.35	7.20	-104.80
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017365204	0	34	-2.0	-106.61	317.92	7.50	-99.11
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017365205	0	44	-2.0	-119.50	337.82	7.76	-111.74
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300017365206	0	34	-2.0	-103.24	291.81	7.20	-96.04
CC(C)(C)C1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017365207	0	41	-2.0	-117.93	345.18	8.35	-109.58
CC1=C(Cl)C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017365208	0	35	-2.0	-125.88	322.05	7.08	-118.80
CC1=C(F)C=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017365209	0	35	-2.0	-124.99	313.58	6.60	-118.39
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC2=CC=CC=C21	REAL300017365210	0	38	-2.0	-113.41	332.56	8.53	-104.88
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C(F)C(F)=C1F	REAL300017365324	0	32	-2.0	-110.60	296.67	5.96	-104.64
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1OC	REAL300017365326	0	43	-2.0	-129.31	357.90	6.57	-122.74
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365327	0	36	-2.0	-109.92	309.27	5.76	-104.16
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1F	REAL300017365328	0	32	-2.0	-104.47	285.28	5.81	-98.66
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365343	0	34	-3.0	-191.11	319.60	6.99	-184.12
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365344	0	36	-2.0	-104.60	309.00	5.01	-99.59
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365345	0	32	-3.0	-207.05	286.32	4.53	-202.52
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365345	1	33	-2.0	-110.84	297.92	4.11	-106.73
O=C([O-])C1=CC=NC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365346	0	31	-2.0	-117.57	282.85	4.45	-113.12
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C(C(=O)[O-])=NN1	REAL300017365347	0	32	-2.0	-114.72	281.28	4.06	-110.66
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)[O-]	REAL300017365348	0	35	-2.0	-132.36	292.64	6.27	-126.09
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C(Cl)O1	REAL300017365349	0	29	-2.0	-112.99	280.94	4.81	-108.18
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC=C1OC(F)(F)F	REAL300017365391	0	36	-2.0	-104.34	335.02	6.99	-97.35
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017365398	0	30	-2.0	-101.74	290.50	5.02	-96.72
O=C([O-])C1=C(F)C=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1F	REAL300017365458	0	32	-2.0	-102.38	288.79	5.88	-96.50
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=CC(F)=C1F	REAL300017365459	0	32	-2.0	-122.27	297.09	6.02	-116.25
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300017365488	1	35	-2.0	-114.90	311.68	3.56	-111.34
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])=N[N-]1	REAL300017365488	1	35	-2.0	-115.05	311.92	3.55	-111.50
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])C=C2C1	REAL300017365562	0	39	-2.0	-112.68	330.46	7.81	-104.87
CCC1=C(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017365574	0	35	-2.0	-125.57	295.83	5.41	-120.16
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCCC23CCC3)=C1	REAL300017365643	1	41	-2.0	-97.23	343.62	6.35	-90.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2CCCCC23CCC3)=C(F)C(F)=C1F	REAL300017365663	1	41	-2.0	-94.25	348.05	6.37	-87.88
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCCCC23CCC3)=C1	REAL300017365667	0	44	-2.0	-110.80	363.96	6.95	-103.85
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2CCCCC23CCC3)=C1	REAL300017365669	0	42	-2.0	-106.95	328.59	4.97	-101.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2CC=CCC2)=C1	REAL300017365749	1	38	-2.0	-95.21	338.97	5.71	-89.50
O=C([O-])C1=CC(S(=O)(=O)[N-]CCC2CC=CCC2)=C(F)C(F)=C1F	REAL300017365771	1	38	-2.0	-92.23	343.35	5.72	-86.51
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2CC=CCC2)=C1	REAL300017365775	0	41	-2.0	-109.49	357.72	6.53	-102.96
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCCC2CC=CCC2)=C1	REAL300017365777	0	39	-2.0	-105.60	327.85	4.59	-101.01
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCCC2=CC=NN2C2=CC=CC=C2)=C1	REAL300017365820	0	42	-2.0	-109.16	367.43	5.23	-103.93
COC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300017365882	1	37	-2.0	-93.95	352.71	2.29	-91.66
COC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C=N1	REAL300017365900	1	37	-2.0	-91.34	357.10	2.31	-89.03
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=N1	REAL300017365903	0	40	-2.0	-113.02	371.60	3.11	-109.91
COC1=CC=C(CCNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=N1	REAL300017365905	0	38	-2.0	-106.47	341.60	1.17	-105.30
CCC(C)CC(CO)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017365983	1	40	-2.0	-96.53	348.11	2.17	-94.36
N#CSCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017412439	1	29	-2.0	-87.68	314.59	3.50	-84.18
N#CSCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017412443	0	32	-2.0	-110.58	329.07	4.29	-106.29
N#CSCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017412445	0	30	-2.0	-103.35	299.07	2.35	-101.00
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)NC	REAL300017412529	1	34	-2.0	-104.78	323.02	1.05	-103.73
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C(=O)NC	REAL300017412557	0	37	-2.0	-112.14	337.53	1.69	-110.45
CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(=O)NC	REAL300017412559	0	35	-2.0	-106.62	305.93	0.02	-106.60
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2(CCCO)CC2)=C1	REAL300017412640	1	35	-2.0	-97.27	326.39	1.60	-95.67
O=C([O-])C1=CC(S(=O)(=O)NC2(CCCO)CC2)=CC(C(=O)[O-])=C1	REAL300017412668	0	38	-2.0	-113.53	341.16	2.28	-111.25
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2(CCCO)CC2)=C1	REAL300017412670	0	36	-2.0	-107.18	308.24	0.41	-106.77
CCC(C)(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017412751	1	39	-2.0	-95.46	335.21	4.74	-90.72
CCC(C)(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017412776	1	39	-2.0	-92.49	339.59	4.76	-87.73
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017412780	0	42	-2.0	-108.26	354.10	5.57	-102.69
CCC(C)(C)CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017412782	0	40	-2.0	-104.89	324.09	3.63	-101.26
N#CC1=CC=CC(C(O)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300017412843	1	36	-2.0	-96.28	354.15	2.84	-93.44
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)=C1	REAL300017412861	0	39	-2.0	-113.32	373.05	3.67	-109.65
N#CC1=CC=CC(C(O)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])=C1	REAL300017412863	0	37	-2.0	-106.03	343.05	1.72	-104.31
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C=C1	REAL300017412937	0	41	-2.0	-109.01	384.74	7.49	-101.52
CCSC1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C=C1	REAL300017412939	0	39	-2.0	-104.72	354.73	5.56	-99.16
CCCC(C)([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017427588	1	34	-2.0	-111.21	325.02	4.83	-106.38
CCCC(C)([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017427594	1	39	-2.0	-125.99	355.05	5.06	-120.93
CCCC(C)([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017427617	1	39	-2.0	-115.22	336.49	3.25	-111.97
CCCC(C)([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017427635	1	39	-2.0	-125.23	344.73	4.61	-120.62
CCCC(C)([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017427706	1	36	-2.0	-113.99	318.59	2.67	-111.32
CCCC(C)([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427708	0	35	-2.0	-137.43	304.66	5.59	-131.84
CCCC(C)([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017427711	1	33	-2.0	-124.36	298.60	4.82	-119.54
CCCC(C)([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427719	0	35	-2.0	-122.65	326.57	6.58	-116.07
CCCC(C)([N-]S(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300017427732	1	39	-2.0	-114.21	340.45	3.59	-110.62
CCCC(C)([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017427737	1	36	-2.0	-123.83	318.03	5.98	-117.85
CCCC(C)([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427738	1	35	-2.0	-124.37	319.35	6.00	-118.37
CCCC(C)([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017427741	1	30	-2.0	-117.56	291.27	3.45	-114.11
CCCC(C)([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017427746	1	32	-2.0	-111.78	308.69	3.19	-108.59
CCCC(C)([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427750	1	38	-2.0	-128.47	329.38	4.72	-123.75
CCCC(C)([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427751	1	35	-2.0	-127.50	312.40	5.30	-122.20
CCCC(C)([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427754	1	35	-2.0	-126.80	319.24	6.01	-120.79
CCCC(C)(NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017427756	1	41	-2.0	-113.06	355.37	0.83	-112.23
CCCC(C)([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427774	1	35	-2.0	-133.91	312.68	6.11	-127.80
CCCCCCN1C=C(S(=O)(=O)[N-]C(C)(CCC)C(=O)[O-])C(=O)NC1=O	REAL300017427796	1	51	-2.0	-125.88	415.29	4.61	-121.27
CCCC(C)([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017427802	1	30	-2.0	-113.97	283.43	2.60	-111.37
CCCC(C)([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017427804	1	30	-2.0	-111.38	306.54	4.12	-107.26
CCCC(C)([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017427819	0	34	-2.0	-117.54	308.36	4.55	-112.99
CCCC(C)([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017427837	1	32	-2.0	-108.20	304.50	3.07	-105.13
CCCC(C)([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017427863	1	33	-2.0	-112.85	314.24	4.99	-107.86
CCCC(C)([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017427890	1	37	-2.0	-124.79	317.05	3.46	-121.33
CCCC(C)([N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017427902	1	32	-2.0	-112.29	304.21	3.02	-109.27
CCCC(C)([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017427906	1	33	-2.0	-125.85	290.85	3.99	-121.86
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C)C(=O)[O-]	REAL300017427923	0	39	-2.0	-111.68	327.68	5.30	-106.38
CCCC(C)(NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427924	0	36	-2.0	-95.11	315.55	4.75	-90.36
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017427925	0	43	-2.0	-87.68	356.89	2.93	-84.75
CCCC(C)(NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017427926	0	44	-2.0	-109.34	366.07	5.54	-103.80
CCCC(C)(NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017427927	0	43	-2.0	-124.70	356.66	5.01	-119.69
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017427928	0	43	-2.0	-99.28	350.89	4.47	-94.81
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017427929	0	42	-2.0	-124.73	334.16	6.17	-118.56
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C)C(=O)[O-]	REAL300017427930	0	40	-2.0	-122.99	330.25	3.32	-119.67
CCCC(C)(NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427931	0	44	-2.0	-99.10	357.62	4.04	-95.06
CCCC(C)(NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)[O-]	REAL300017427932	0	47	-2.0	-88.09	375.94	5.36	-82.73
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427933	0	43	-2.0	-106.78	348.42	5.24	-101.54
CCCC(C)(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427934	0	33	-2.0	-96.85	291.23	3.38	-93.47
CCCC(C)(NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427935	0	36	-2.0	-113.48	312.42	3.79	-109.69
CCCC(C)(NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427936	0	42	-2.0	-104.09	341.45	4.00	-100.09
CCCC(C)(NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017427937	0	46	-2.0	-93.90	379.05	5.50	-88.40
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017427938	0	40	-2.0	-91.32	346.40	5.08	-86.24
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017427939	0	43	-2.0	-90.96	350.51	5.27	-85.69
CCCC(C)(NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017427940	0	49	-2.0	-93.04	392.90	6.17	-86.87
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427941	0	36	-2.0	-90.46	326.97	5.08	-85.38
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017427942	0	36	-2.0	-107.77	334.57	5.48	-102.29
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017427943	0	42	-2.0	-117.68	336.02	5.69	-111.99
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)C(=O)[O-]	REAL300017427944	0	39	-2.0	-109.45	321.38	5.26	-104.19
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427945	0	36	-2.0	-93.58	320.62	4.84	-88.74
CCCC(C)(NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427946	0	36	-2.0	-92.61	305.74	4.29	-88.32
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017427947	0	36	-2.0	-103.87	320.17	5.08	-98.79
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017427948	0	36	-2.0	-91.43	303.88	4.32	-87.11
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C(=O)[O-]	REAL300017427949	0	39	-2.0	-112.38	336.36	5.70	-106.68
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427950	0	36	-2.0	-92.49	320.00	4.76	-87.73
CCCC(C)(NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427951	0	36	-2.0	-89.70	317.64	4.67	-85.03
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C(=O)[O-]	REAL300017427952	0	39	-2.0	-110.81	333.81	5.23	-105.58
CCCC(C)([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017427976	1	36	-2.0	-124.36	308.80	4.27	-120.09
CC([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)(C(=O)[O-])C1CC1	REAL300017430610	1	32	-2.0	-117.37	319.74	5.66	-111.71
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)=C1F	REAL300017430616	1	37	-2.0	-133.37	348.99	5.87	-127.50
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)O1	REAL300017430639	1	37	-2.0	-120.49	331.20	4.09	-116.40
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)=C1F	REAL300017430657	1	37	-2.0	-132.51	338.67	5.43	-127.08
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)O1	REAL300017430729	1	34	-2.0	-119.25	313.30	3.51	-115.74
CC([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430731	0	33	-2.0	-140.45	297.47	6.21	-134.24
CC([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)(C(=O)[O-])C1CC1	REAL300017430734	1	31	-2.0	-132.78	294.30	5.37	-127.41
CC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430742	0	33	-2.0	-121.64	318.49	7.40	-114.24
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)O1	REAL300017430755	1	37	-2.0	-119.46	335.17	4.43	-115.03
CC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)(C(=O)[O-])C1CC1	REAL300017430760	1	34	-2.0	-126.33	311.22	6.50	-119.83
CC([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430761	1	33	-2.0	-124.91	310.49	6.72	-118.19
CC([N-]S(=O)(=O)C1=C(Br)C=CS1)(C(=O)[O-])C1CC1	REAL300017430764	1	28	-2.0	-125.60	286.07	4.30	-121.30
CC([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)(C(=O)[O-])C1CC1	REAL300017430769	1	30	-2.0	-118.08	303.36	4.01	-114.07
CCN1C=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300017430773	1	36	-2.0	-126.08	323.94	5.58	-120.50
CC([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430774	1	33	-2.0	-129.71	302.09	5.84	-123.87
CC([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430777	1	33	-2.0	-128.76	311.69	6.73	-122.03
CC(NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)(C(=O)[O-])C1CC1	REAL300017430779	1	39	-2.0	-110.24	340.42	0.69	-109.55
CC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430797	1	33	-2.0	-136.96	305.40	6.72	-130.24
CCCCCCN1C=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)C(=O)NC1=O	REAL300017430819	1	49	-2.0	-122.29	410.00	5.44	-116.85
CC([N-]S(=O)(=O)C1=CC=C(Br)O1)(C(=O)[O-])C1CC1	REAL300017430825	1	28	-2.0	-119.65	278.14	3.44	-116.21
CC([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)(C(=O)[O-])C1CC1	REAL300017430827	1	28	-2.0	-116.22	301.32	4.94	-111.28
CC([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)(C(=O)[O-])C1CC1	REAL300017430842	0	32	-2.0	-124.96	302.42	5.36	-119.60
CC([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)(C(=O)[O-])C1CC1	REAL300017430861	1	30	-2.0	-116.41	299.17	3.92	-112.49
CC([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)(C(=O)[O-])C1CC1	REAL300017430887	1	31	-2.0	-116.85	308.87	5.86	-110.99
COC1=CC(F)=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)C(F)=C1	REAL300017430915	1	35	-2.0	-132.18	311.12	4.26	-127.92
CC([N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl)(C(=O)[O-])C1CC1	REAL300017430926	1	30	-2.0	-116.53	298.90	3.85	-112.68
CC([N-]S(=O)(=O)C1=CC=CC(F)=C1F)(C(=O)[O-])C1CC1	REAL300017430930	1	31	-2.0	-127.80	285.56	4.82	-122.98
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430947	0	37	-2.0	-111.98	310.56	5.16	-106.82
CC(NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430948	0	34	-2.0	-93.95	305.43	4.85	-89.10
CC(NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)(C(=O)[O-])C1CC1	REAL300017430949	0	41	-2.0	-93.39	344.32	2.89	-90.50
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430950	0	42	-2.0	-111.61	351.72	5.52	-106.09
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430951	0	41	-2.0	-112.63	342.60	4.96	-107.67
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1CC(=O)[O-]	REAL300017430952	0	41	-2.0	-105.15	339.66	4.49	-100.66
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017430953	0	40	-2.0	-120.41	325.52	5.80	-114.61
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430954	0	38	-2.0	-125.93	315.56	3.67	-122.26
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC(C(=O)[O-])=C1OC	REAL300017430955	0	42	-2.0	-103.35	348.19	4.62	-98.73
CC(NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)(C(=O)[O-])C1CC1	REAL300017430956	0	45	-2.0	-93.34	364.20	5.36	-87.98
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017430957	0	41	-2.0	-103.78	338.31	5.34	-98.44
CC(NS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430958	0	31	-2.0	-109.09	305.74	4.37	-104.72
CC(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430959	0	31	-2.0	-100.99	280.93	3.91	-97.08
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C(C(=O)[O-])O1	REAL300017430960	0	34	-2.0	-118.84	297.11	3.69	-115.15
CC(NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430961	0	40	-2.0	-125.30	331.58	4.57	-120.73
CC(NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)(C(=O)[O-])C1CC1	REAL300017430962	0	44	-2.0	-93.98	368.93	5.61	-88.37
CC(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)(C(=O)[O-])C1CC1	REAL300017430963	0	38	-2.0	-90.29	336.30	5.18	-85.11
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1OCC(=O)[O-]	REAL300017430964	0	41	-2.0	-91.33	340.34	5.35	-85.98
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1OCCCC(=O)[O-]	REAL300017430965	0	47	-2.0	-92.80	382.21	6.26	-86.54
CC(NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430966	0	34	-2.0	-95.47	317.20	5.64	-89.83
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)(C(=O)[O-])C1CC1	REAL300017430967	0	34	-2.0	-108.92	320.86	5.86	-103.06
CC(NS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)(C(=O)[O-])C1CC1	REAL300017430968	0	31	-2.0	-90.86	300.41	4.09	-86.77
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1C(=O)[O-]	REAL300017430969	0	40	-2.0	-104.79	325.36	6.23	-98.56
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430970	0	37	-2.0	-109.56	305.23	5.13	-104.43
CC(NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430971	0	34	-2.0	-114.00	310.75	5.41	-108.59
CC(NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430972	0	34	-2.0	-112.49	295.84	4.85	-107.64
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)(C(=O)[O-])C1CC1	REAL300017430973	0	34	-2.0	-103.48	305.99	4.95	-98.53
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)(C(=O)[O-])C1CC1	REAL300017430974	0	34	-2.0	-91.23	293.59	4.40	-86.83
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430975	0	37	-2.0	-112.63	319.35	5.55	-107.08
CC(NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430976	0	34	-2.0	-97.01	310.18	5.32	-91.69
CC(NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430977	0	34	-2.0	-94.90	307.86	5.23	-89.67
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1F	REAL300017430978	0	37	-2.0	-111.10	320.70	5.18	-105.92
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(O)C2)C=C1Br	REAL300017445875	1	30	-2.0	-116.96	307.09	1.28	-115.68
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC(O)C2)=C1F	REAL300017445881	1	35	-2.0	-127.65	336.26	1.51	-126.14
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(O)C2)O1	REAL300017445904	1	35	-2.0	-128.93	317.64	-0.03	-128.96
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC(O)C2)=C1F	REAL300017445922	1	35	-2.0	-127.21	325.94	1.06	-126.15
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(O)C2)O1	REAL300017445993	1	32	-2.0	-121.52	300.66	-0.75	-122.27
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC(O)C1	REAL300017445995	0	31	-2.0	-142.14	287.09	2.00	-140.14
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CC(O)C1	REAL300017445998	1	29	-2.0	-129.37	280.75	1.22	-128.15
CCC(CC)([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017449168	1	34	-2.0	-117.36	319.42	5.29	-112.07
CCC(CC)([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017449174	1	39	-2.0	-131.91	349.08	5.41	-126.50
CCC(CC)([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017449197	1	39	-2.0	-124.68	330.88	3.71	-120.97
CCC(CC)([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017449215	1	39	-2.0	-130.91	338.76	4.96	-125.95
CCC(CC)([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017449286	1	36	-2.0	-123.05	313.58	3.02	-120.03
CCC(CC)([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449288	0	35	-2.0	-141.77	296.03	5.70	-136.07
CCC(CC)([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017449291	1	33	-2.0	-133.36	293.44	5.16	-128.20
CCC(CC)([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449299	0	35	-2.0	-132.18	321.67	7.22	-124.96
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(CC)(CC)C(=O)[O-])O1	REAL300017449312	1	39	-2.0	-118.75	335.22	3.93	-114.82
CCC(CC)([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017449317	1	36	-2.0	-126.25	309.55	6.23	-120.02
CCC(CC)([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449318	1	35	-2.0	-123.48	309.21	6.14	-117.34
CCC(CC)([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017449321	1	30	-2.0	-124.72	286.92	3.57	-121.15
CCC(CC)([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017449326	1	32	-2.0	-117.10	303.52	3.36	-113.74
CCN1C=C(S(=O)(=O)[N-]C(CC)(CC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017449330	1	38	-2.0	-132.18	322.30	4.82	-127.36
CCC(CC)([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449331	1	35	-2.0	-138.42	307.22	5.54	-132.88
CCC(CC)([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449334	1	35	-2.0	-128.81	307.82	6.21	-122.60
CCC(CC)(NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017449336	1	41	-2.0	-110.68	343.48	0.84	-109.84
CCC(CC)([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449354	1	35	-2.0	-138.13	304.18	6.24	-131.89
CCCCCCN1C=C(S(=O)(=O)[N-]C(CC)(CC)C(=O)[O-])C(=O)NC1=O	REAL300017449376	1	51	-2.0	-134.30	409.67	4.97	-129.33
CCC(CC)([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017449382	1	30	-2.0	-118.79	278.20	2.94	-115.85
CCC(CC)([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017449384	1	30	-2.0	-115.94	301.28	4.50	-111.44
CCC(CC)([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017449399	0	34	-2.0	-124.11	302.74	4.99	-119.12
CCC(CC)([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017449417	1	32	-2.0	-115.26	299.57	3.24	-112.02
CCC(CC)([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017449443	1	33	-2.0	-115.83	309.00	5.17	-110.66
CCC(CC)([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017449470	1	37	-2.0	-131.49	311.44	3.90	-127.59
CCC(CC)([N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017449482	1	32	-2.0	-116.26	297.41	3.41	-112.85
CCC(CC)([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017449486	1	33	-2.0	-126.60	285.69	4.31	-122.29
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C)C(=O)[O-]	REAL300017449503	0	39	-2.0	-113.38	319.93	5.21	-108.17
CCC(CC)(NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449504	0	36	-2.0	-113.42	312.18	5.16	-108.26
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017449505	0	43	-2.0	-93.01	350.11	2.87	-90.14
CCC(CC)(NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017449506	0	44	-2.0	-118.13	351.21	5.76	-112.37
CCC(CC)(NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017449507	0	43	-2.0	-122.32	349.18	5.21	-117.11
CCC(CC)(NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017449508	0	43	-2.0	-117.22	343.39	4.32	-112.90
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017449509	0	42	-2.0	-124.75	321.34	5.75	-119.00
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C)C(=O)[O-]	REAL300017449510	0	40	-2.0	-119.33	318.52	3.19	-116.14
CCC(CC)(NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449511	0	44	-2.0	-116.21	353.45	4.43	-111.78
CCC(CC)(NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)[O-]	REAL300017449512	0	47	-2.0	-94.94	371.46	5.63	-89.31
CCOC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1C(=O)[O-]	REAL300017449513	0	43	-2.0	-107.05	345.03	5.68	-101.37
CCC(CC)(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449514	0	33	-2.0	-99.57	287.10	3.79	-95.78
CCC(CC)(NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449515	0	36	-2.0	-115.39	301.54	3.57	-111.82
CCC(CC)(NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449516	0	42	-2.0	-106.13	337.29	4.39	-101.74
CCC(CC)(NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017449517	0	46	-2.0	-94.51	372.67	5.44	-89.07
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017449518	0	40	-2.0	-97.39	342.66	5.56	-91.83
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017449519	0	43	-2.0	-98.53	344.08	5.18	-93.35
CCC(CC)(NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017449520	0	49	-2.0	-94.68	386.53	6.11	-88.57
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449521	0	36	-2.0	-105.90	320.69	5.03	-100.87
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017449522	0	36	-2.0	-105.32	330.19	5.64	-99.68
CCC(CC)(NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017449523	0	42	-2.0	-103.06	324.95	5.86	-97.20
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)C(=O)[O-]	REAL300017449524	0	39	-2.0	-109.45	318.33	5.55	-103.90
CCC(CC)(NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449525	0	36	-2.0	-97.42	312.57	5.11	-92.31
CCC(CC)(NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449526	0	36	-2.0	-96.59	297.68	4.56	-92.03
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017449527	0	36	-2.0	-103.95	309.35	5.04	-98.91
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017449528	0	36	-2.0	-97.38	299.63	4.65	-92.73
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C(=O)[O-]	REAL300017449529	0	39	-2.0	-114.17	328.71	5.61	-108.56
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449530	0	36	-2.0	-107.73	315.69	5.16	-102.57
CCC(CC)(NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449531	0	36	-2.0	-105.25	311.37	4.62	-100.63
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C(=O)[O-]	REAL300017449532	0	39	-2.0	-113.20	325.50	4.99	-108.21
CCC(CC)([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017449556	1	36	-2.0	-129.77	303.79	4.57	-125.20
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017449604	0	36	-2.0	-108.21	324.56	5.26	-102.95
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017449605	0	40	-2.0	-119.74	327.75	4.40	-115.34
CCC(CC)(NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449606	0	37	-2.0	-101.72	303.91	2.67	-99.05
CCC(CC)(NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017449607	0	40	-2.0	-99.02	325.13	5.59	-93.43
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017449608	0	36	-2.0	-111.12	314.72	4.97	-106.15
CCC(CC)(NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017449609	0	42	-2.0	-95.82	337.25	5.82	-90.00
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017449610	0	36	-2.0	-115.97	297.88	4.67	-111.30
CCC(CC)(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017449611	0	39	-2.0	-98.72	315.86	5.02	-93.70
CCC(CC)(NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449612	0	40	-2.0	-120.75	320.15	4.25	-116.50
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017449613	0	40	-2.0	-99.18	326.75	4.98	-94.20
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017449614	0	40	-2.0	-98.31	332.83	5.07	-93.24
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)[O-]	REAL300017449615	0	36	-2.0	-104.39	301.59	4.61	-99.78
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017449616	0	36	-2.0	-95.29	307.59	5.01	-90.28
CCC(CC)(NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017449617	0	39	-2.0	-103.88	317.22	5.30	-98.58
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017449618	0	44	-2.0	-99.76	358.48	6.17	-93.59
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017449619	0	36	-2.0	-105.22	303.70	4.67	-100.55
CCC(CC)([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017449619	1	35	-3.0	-187.60	314.83	4.66	-182.94
CCC(CC)(NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449620	0	42	-2.0	-123.22	330.24	5.40	-117.82
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017449621	0	38	-2.0	-100.99	324.54	5.36	-95.63
CCC(CC)(NS(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017449622	0	40	-2.0	-110.19	338.99	4.89	-105.30
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017449623	0	36	-2.0	-94.67	311.33	5.11	-89.56
CCC(CC)(NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449624	0	39	-2.0	-110.71	317.67	4.85	-105.86
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F)C(=O)[O-]	REAL300017449625	0	39	-2.0	-110.52	320.59	5.09	-105.43
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl)C(=O)[O-]	REAL300017449626	0	39	-2.0	-115.42	324.46	5.67	-109.75
CCC(CC)(NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449627	0	39	-2.0	-108.02	324.45	5.14	-102.88
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017449628	0	39	-2.0	-95.12	317.40	5.65	-89.47
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl)C(=O)[O-]	REAL300017449629	0	40	-2.0	-118.61	336.61	5.11	-113.50
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F)C(=O)[O-]	REAL300017449630	0	40	-2.0	-104.82	344.40	5.15	-99.67
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449631	0	38	-2.0	-93.17	308.60	5.88	-87.29
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017449632	0	33	-2.0	-101.39	287.17	3.79	-97.60
CCC(CC)(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017449633	0	39	-2.0	-104.36	317.18	5.38	-98.98
CCC(CC)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449634	0	38	-2.0	-113.27	319.72	5.29	-107.98
CCC(CC)(NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C)C(=O)[O-]	REAL300017449635	0	48	-2.0	-103.25	358.30	7.55	-95.70
CCC(CC)(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449636	0	38	-2.0	-113.70	316.95	6.35	-107.35
CCC(CC)(NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449637	0	45	-2.0	-119.24	356.62	6.46	-112.78
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449638	0	39	-2.0	-109.59	328.90	5.64	-103.95
CCC(CC)(NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449639	0	39	-2.0	-109.84	318.70	4.88	-104.96
CCC(CC)(NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449640	0	42	-2.0	-123.96	333.91	6.29	-117.67
CCC(CC)([N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017449647	1	36	-2.0	-124.66	313.92	2.97	-121.69
CCC(CC)([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017449679	0	35	-2.0	-126.19	314.51	1.83	-124.36
CCC(CC)([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017449689	1	33	-2.0	-134.03	289.86	5.02	-129.01
CCC(CC)([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017449694	1	32	-2.0	-119.86	293.06	3.56	-116.30
CCC(CC)([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017449726	1	36	-2.0	-139.69	315.46	3.67	-136.02
CCC(CC)([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449747	0	35	-2.0	-142.87	302.37	2.93	-139.94
CCC(CC)([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300017449752	1	37	-2.0	-137.28	322.41	4.55	-132.73
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017449758	0	36	-2.0	-104.48	308.30	4.76	-99.72
CCC(CC)([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017449758	1	35	-3.0	-189.29	318.50	4.88	-184.41
CCC(CC)(NS(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC)C(=O)[O-]	REAL300017449760	0	47	-2.0	-114.76	365.71	5.21	-109.55
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)C(=O)[O-]	REAL300017449761	0	40	-2.0	-110.63	325.58	4.60	-106.03
CCC(CC)(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017449762	0	36	-2.0	-103.48	298.58	4.78	-98.70
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449777	0	38	-3.0	-176.29	323.51	5.18	-171.11
CCC(CC)(NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O)C(=O)[O-]	REAL300017449778	0	40	-2.0	-104.75	320.21	3.87	-100.88
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300017449779	0	36	-3.0	-191.52	298.51	3.34	-188.18
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(=O)[O-]	REAL300017449779	1	37	-2.0	-123.66	300.21	2.48	-121.18
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(=O)[O-]	REAL300017449780	0	35	-2.0	-109.07	295.00	2.97	-106.10
CCC(CC)(NS(=O)(=O)C1=C(C)NN=C1C(=O)[O-])C(=O)[O-]	REAL300017449781	0	36	-2.0	-142.69	281.19	1.96	-140.73
CCC(CC)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300017449782	0	39	-2.0	-116.68	314.21	5.16	-111.52
CCC(CC)(NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449783	0	33	-2.0	-110.73	297.67	3.60	-107.13
CCC(CC)([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017449786	0	30	-2.0	-123.87	275.78	2.85	-121.02
CCC(CC)([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300017449797	1	37	-2.0	-130.59	310.46	4.78	-125.81
CCC(CC)([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300017449820	0	36	-2.0	-119.40	332.09	3.71	-115.69
CCC(CC)(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449823	0	40	-2.0	-111.65	336.65	4.72	-106.93
CCC(CC)([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017449828	1	36	-2.0	-136.02	303.47	3.40	-132.62
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300017449830	0	34	-2.0	-100.01	302.35	3.71	-96.30
CCC(CC)(NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017449889	0	36	-2.0	-101.96	300.22	4.69	-97.27
CCC(CC)(NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017449890	0	36	-2.0	-106.74	305.81	4.72	-102.02
CCC(CC)([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300017449899	0	33	-2.0	-126.50	303.85	5.05	-121.45
CCC(CC)([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017449900	1	35	-2.0	-116.22	315.04	3.44	-112.78
CCC(CC)([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300017449904	1	37	-2.0	-132.81	325.90	5.02	-127.79
CCC(CC)([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017449907	1	33	-2.0	-123.30	300.98	4.94	-118.36
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300017449920	1	39	-2.0	-100.76	323.12	1.74	-99.02
CCOC(=O)C1=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=N[N-]1	REAL300017449920	1	39	-2.0	-100.67	323.19	1.73	-98.94
CCC(CC)([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300017449932	1	37	-2.0	-130.50	324.65	5.35	-125.15
CCC(CC)([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017449940	1	30	-2.0	-115.58	299.10	4.28	-111.30
CCC(CC)(NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C(=O)[O-]	REAL300017450000	0	43	-2.0	-101.02	340.37	6.51	-94.51
COCC(C)([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017450418	1	32	-2.0	-112.35	321.72	3.31	-109.04
COCC(C)([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017450424	1	37	-2.0	-126.03	350.87	3.52	-122.51
COCC(C)([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017450445	1	37	-2.0	-117.79	333.08	1.73	-116.06
COCC(C)([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017450463	1	37	-2.0	-125.25	340.55	3.08	-122.17
COCC(C)([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017450535	1	34	-2.0	-115.12	315.06	1.25	-113.87
COCC(C)([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450537	0	33	-2.0	-138.67	301.27	4.11	-134.56
COCC(C)([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017450540	1	31	-2.0	-125.90	295.21	3.24	-122.66
COCC(C)([N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450545	1	33	-2.0	-126.87	311.47	4.46	-122.41
COCC(C)([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450548	0	33	-2.0	-124.51	323.29	5.12	-119.39
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(COC)C(=O)[O-])O1	REAL300017450561	1	37	-2.0	-115.36	336.92	2.17	-113.19
COCC(C)([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017450566	1	34	-2.0	-125.54	314.40	4.54	-121.00
COCC(C)([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450567	1	33	-2.0	-126.64	316.03	4.56	-122.08
COCC(C)([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017450570	1	28	-2.0	-118.40	288.07	1.92	-116.48
COCC(C)([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017450575	1	30	-2.0	-113.69	305.53	1.64	-112.05
CCN1C=C(S(=O)(=O)[N-]C(C)(COC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017450579	1	36	-2.0	-129.90	325.92	3.21	-126.69
COCC(C)([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450580	1	33	-2.0	-128.99	308.96	3.73	-125.26
COCC(C)([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450583	1	33	-2.0	-129.00	315.87	4.58	-124.42
COCC(C)(NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017450585	1	39	-2.0	-114.76	349.34	-1.33	-116.09
COCC(C)([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450605	1	33	-2.0	-135.06	309.18	4.62	-130.44
CCCCCCN1C=C(S(=O)(=O)[N-]C(C)(COC)C(=O)[O-])C(=O)NC1=O	REAL300017450626	1	49	-2.0	-127.82	412.21	3.06	-124.76
COCC(C)([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017450632	1	28	-2.0	-115.20	279.90	1.18	-114.02
COCC(C)([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017450634	1	28	-2.0	-112.97	303.09	2.60	-110.37
COCC(C)([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017450648	0	32	-2.0	-118.77	304.80	3.13	-115.64
COCC(C)([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017450665	1	30	-2.0	-109.85	301.03	1.54	-108.31
COCC(C)([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017450690	1	31	-2.0	-114.22	310.92	3.47	-110.75
COCC(C)([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017450718	1	35	-2.0	-125.95	313.50	2.03	-123.92
COCC(C)([N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017450730	1	30	-2.0	-114.22	301.06	1.47	-112.75
COCC(C)([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017450734	1	31	-2.0	-127.66	287.79	2.45	-125.21
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C)C(=O)[O-]	REAL300017450751	0	37	-2.0	-113.29	321.28	3.13	-110.16
COCC(C)(NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450752	0	34	-2.0	-98.05	312.91	3.23	-94.82
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017450753	0	41	-2.0	-91.81	351.84	1.37	-90.44
COCC(C)(NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017450754	0	42	-2.0	-111.63	359.89	3.70	-107.93
COCC(C)(NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017450755	0	41	-2.0	-126.67	349.32	3.28	-123.39
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017450756	0	41	-2.0	-102.53	347.14	2.88	-99.65
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017450757	0	40	-2.0	-127.73	330.62	4.59	-123.14
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C)C(=O)[O-]	REAL300017450758	0	38	-2.0	-125.28	324.78	1.12	-124.16
COCC(C)(NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450759	0	42	-2.0	-102.74	354.24	2.62	-100.12
CCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1C(=O)[O-]	REAL300017450760	0	41	-2.0	-108.24	345.77	3.72	-104.52
COCC(C)(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450761	0	31	-2.0	-98.16	287.71	1.84	-96.32
COCC(C)(NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450762	0	34	-2.0	-120.24	308.00	1.73	-118.51
COCC(C)(NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450763	0	40	-2.0	-106.39	338.01	2.56	-103.83
COCC(C)(NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017450764	0	44	-2.0	-95.83	376.43	4.00	-91.83
COCC(C)(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017450765	0	38	-2.0	-92.98	343.78	3.57	-89.41
COCC(C)(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017450766	0	41	-2.0	-93.42	346.99	3.72	-89.70
COCC(C)(NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017450767	0	47	-2.0	-95.02	390.28	4.67	-90.35
COCC(C)(NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450768	0	34	-2.0	-94.00	323.56	3.65	-90.35
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017450769	0	34	-2.0	-110.25	328.75	3.40	-106.85
COCC(C)(NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017450770	0	40	-2.0	-115.94	337.69	3.80	-112.14
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)C(=O)[O-]	REAL300017450771	0	37	-2.0	-111.79	315.83	3.06	-108.73
COCC(C)(NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450772	0	34	-2.0	-95.68	317.25	3.42	-92.26
COCC(C)(NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450773	0	34	-2.0	-94.81	302.36	2.87	-91.94
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017450774	0	34	-2.0	-105.95	313.71	2.90	-103.05
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017450775	0	34	-2.0	-93.58	300.36	2.77	-90.81
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C(=O)[O-]	REAL300017450776	0	37	-2.0	-113.64	329.82	3.52	-110.12
COCC(C)(NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450777	0	34	-2.0	-96.12	316.59	3.33	-92.79
COCC(C)(NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450778	0	34	-2.0	-93.29	314.23	3.24	-90.05
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C(=O)[O-]	REAL300017450779	0	37	-2.0	-112.68	327.81	3.06	-109.62
COCC(C)([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017450802	1	34	-2.0	-126.49	305.41	2.75	-123.74
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017450847	0	34	-2.0	-107.68	326.44	3.30	-104.38
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017450848	0	38	-2.0	-123.59	328.41	2.41	-121.18
COCC(C)(NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450849	0	35	-2.0	-102.81	305.46	0.79	-102.02
COCC(C)(NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017450850	0	38	-2.0	-95.14	328.11	4.04	-91.10
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017450851	0	34	-2.0	-120.21	319.76	3.09	-117.12
COCC(C)(NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017450852	0	40	-2.0	-93.54	339.47	4.33	-89.21
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017450853	0	34	-2.0	-118.62	307.93	2.44	-116.18
COCC(C)(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017450854	0	37	-2.0	-94.24	318.07	3.52	-90.72
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450855	0	38	-2.0	-107.44	323.94	2.81	-104.63
COCC(C)(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017450856	0	38	-2.0	-94.71	326.46	3.06	-91.65
COCC(C)(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017450857	0	38	-2.0	-94.40	333.98	3.09	-91.31
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)[O-]	REAL300017450858	0	34	-2.0	-107.29	307.35	2.44	-104.85
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017450859	0	34	-2.0	-90.88	308.33	3.14	-87.74
COCC(C)(NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017450860	0	37	-2.0	-115.14	325.41	3.08	-112.06
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017450861	0	42	-2.0	-93.72	359.58	4.15	-89.57
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017450862	0	34	-2.0	-108.10	312.00	2.50	-105.60
COCC(C)([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017450862	1	33	-3.0	-182.30	315.79	3.00	-179.30
COCC(C)(NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450863	0	40	-2.0	-104.66	333.23	4.08	-100.58
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017450864	0	36	-2.0	-90.86	324.16	3.48	-87.38
COCC(C)(NS(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017450865	0	38	-2.0	-111.84	341.33	2.98	-108.86
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017450866	0	34	-2.0	-90.15	312.07	3.23	-86.92
COCC(C)(NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450867	0	37	-2.0	-102.64	320.69	3.45	-99.19
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F)C(=O)[O-]	REAL300017450868	0	37	-2.0	-112.27	323.65	2.96	-109.31
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl)C(=O)[O-]	REAL300017450869	0	37	-2.0	-112.77	332.69	3.49	-109.28
COCC(C)(NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450870	0	37	-2.0	-100.23	327.08	3.76	-96.47
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017450871	0	37	-2.0	-107.23	330.58	3.60	-103.63
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl)C(=O)[O-]	REAL300017450872	0	38	-2.0	-117.23	341.27	2.99	-114.24
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450873	0	36	-2.0	-95.44	316.70	4.69	-90.75
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017450874	0	31	-2.0	-93.21	289.09	1.99	-91.22
COCC(C)(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017450875	0	37	-2.0	-99.64	318.02	3.50	-96.14
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450876	0	36	-2.0	-104.65	323.18	3.88	-100.77
COCC(C)(NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C)C(=O)[O-]	REAL300017450877	0	46	-2.0	-102.30	360.04	5.62	-96.68
COCC(C)(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450878	0	36	-2.0	-108.42	324.71	4.58	-103.84
COCC(C)(NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450879	0	43	-2.0	-107.90	349.89	4.98	-102.92
COCC(C)(NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450880	0	37	-2.0	-97.27	329.86	3.86	-93.41
COCC(C)(NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450881	0	37	-2.0	-96.31	321.17	3.47	-92.84
COCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450882	0	40	-2.0	-108.55	336.83	4.86	-103.69
COCC(C)([N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017450889	1	34	-2.0	-120.61	315.39	1.19	-119.42
COCC(C)([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017450921	0	33	-2.0	-124.92	312.64	0.69	-124.23
COCC(C)([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017450931	1	31	-2.0	-126.93	291.62	3.10	-123.83
COCC(C)([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017450936	1	30	-2.0	-119.67	294.97	1.76	-117.91
COCC(C)([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017450968	1	34	-2.0	-131.82	316.98	1.94	-129.88
COCC(C)([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450990	0	33	-2.0	-135.15	303.85	1.34	-133.81
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017450999	0	34	-2.0	-107.66	316.55	2.53	-105.13
COCC(C)([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017450999	1	33	-3.0	-177.83	320.18	3.00	-174.83
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@]2(C(=O)[O-])C[C@H](F)C2)C=C1Br	REAL300017475235	1	29	-2.0	-115.27	302.50	4.89	-110.38
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C1F	REAL300017475241	1	34	-2.0	-128.10	331.49	5.13	-122.97
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)O1	REAL300017475262	1	34	-2.0	-120.57	313.91	3.33	-117.24
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C1F	REAL300017475280	0	34	-2.0	-121.36	322.69	4.48	-116.88
CS(=O)(=O)C1=CC(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C(Cl)S1	REAL300017475302	1	31	-2.0	-124.39	325.28	1.04	-123.35
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)O1	REAL300017475352	1	31	-2.0	-114.08	297.42	2.56	-111.52
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475354	0	30	-2.0	-142.26	282.88	5.19	-137.07
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C[C@H](F)C1	REAL300017475357	1	28	-2.0	-128.97	277.53	4.69	-124.28
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475362	1	30	-2.0	-118.79	296.52	5.25	-113.54
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475365	0	30	-2.0	-117.69	307.98	6.39	-111.30
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)O1	REAL300017475378	1	34	-2.0	-114.20	319.28	3.48	-110.72
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C[C@H](F)C1	REAL300017475383	1	31	-2.0	-127.20	294.99	5.97	-121.23
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475384	1	30	-2.0	-118.71	301.11	5.36	-113.35
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(Br)C=CS2)C[C@H](F)C1	REAL300017475387	1	25	-2.0	-123.60	268.62	3.53	-120.07
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)C[C@H](F)C1	REAL300017475392	1	27	-2.0	-115.27	286.06	3.23	-112.04
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)C[C@H](F)C1	REAL300017475393	1	30	-2.0	-111.06	291.60	4.48	-106.58
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-][C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475395	1	37	-2.0	-135.70	338.80	2.22	-133.48
CCN1C=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)C([N+](=O)[O-])=N1	REAL300017475396	1	33	-2.0	-121.54	308.31	4.59	-116.95
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475397	1	30	-2.0	-128.73	289.94	5.31	-123.42
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475400	1	30	-2.0	-122.26	300.89	5.41	-116.85
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(F)=C1	REAL300017475402	1	36	-2.0	-103.28	332.60	0.75	-102.53
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475422	0	30	-2.0	-126.69	284.97	5.39	-121.30
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-][C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475439	1	33	-2.0	-120.49	314.10	3.59	-116.90
CCCCCCN1C=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)C(=O)NC1=O	REAL300017475443	1	46	-2.0	-128.74	392.81	4.53	-124.21
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475445	1	35	-2.0	-126.32	332.49	3.59	-122.73
CC1=CC(F)=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475447	1	31	-2.0	-125.55	288.50	4.70	-120.85
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=C(Br)O2)C[C@H](F)C1	REAL300017475449	0	25	-2.0	-119.44	260.70	2.67	-116.77
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)C[C@H](F)C1	REAL300017475451	1	25	-2.0	-116.86	284.02	4.18	-112.68
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@]2(C(=O)[O-])C[C@H](F)C2)C(F)=C1	REAL300017475465	0	29	-2.0	-121.80	285.61	4.58	-117.22
CN1C=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)N=C1Cl	REAL300017475470	1	28	-2.0	-130.46	277.24	2.70	-127.76
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)C[C@H](F)C1	REAL300017475480	1	31	-2.0	-149.86	293.59	3.81	-146.05
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C[C@H](F)C1	REAL300017475482	1	27	-2.0	-111.65	281.99	3.10	-108.55
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C[C@H](F)C1	REAL300017475507	1	28	-2.0	-113.92	292.55	4.94	-108.98
COC1=CC(F)=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)C(F)=C1	REAL300017475535	0	32	-2.0	-129.49	294.54	3.48	-126.01
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C[C@H](F)C1	REAL300017475547	1	27	-2.0	-111.26	284.53	2.63	-108.63
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C[C@H](F)C1	REAL300017475551	1	28	-2.0	-122.69	269.68	3.87	-118.82
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC(Br)=CC=C2F)C[C@H](F)C1	REAL300017475552	1	28	-2.0	-125.67	283.39	4.62	-121.05
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475568	0	34	-2.0	-117.89	305.75	5.01	-112.88
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1Br	REAL300017475569	0	31	-2.0	-119.22	298.73	4.78	-114.44
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475570	0	38	-2.0	-99.27	338.96	2.88	-96.39
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475571	0	39	-2.0	-102.36	325.62	5.81	-96.55
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475572	0	38	-2.0	-108.01	319.19	4.74	-103.27
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1CC(=O)[O-]	REAL300017475573	0	38	-2.0	-111.80	332.65	3.97	-107.83
CC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C(=O)[O-]	REAL300017475574	0	37	-2.0	-130.22	317.55	5.67	-124.55
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475575	0	35	-2.0	-115.54	304.77	2.53	-113.01
COC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC(C(=O)[O-])=C1OC	REAL300017475576	0	39	-2.0	-100.21	340.81	4.10	-96.11
CCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C(=O)[O-]	REAL300017475577	0	38	-2.0	-132.16	331.21	5.30	-126.86
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CS1	REAL300017475578	0	28	-2.0	-118.66	274.02	3.36	-115.30
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C(C(=O)[O-])O1	REAL300017475579	0	31	-2.0	-116.38	286.50	2.96	-113.42
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC2=C1OCCO2	REAL300017475580	0	37	-2.0	-105.56	324.66	4.06	-101.50
O=C([O-])CCCOC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475581	0	41	-2.0	-98.79	362.30	5.10	-93.69
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1Cl	REAL300017475582	0	35	-2.0	-99.08	329.17	4.67	-94.41
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1OCC(=O)[O-]	REAL300017475583	0	38	-2.0	-101.67	333.35	5.30	-96.37
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1OCCCC(=O)[O-]	REAL300017475584	0	44	-2.0	-102.00	375.80	6.23	-95.77
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC(Cl)=C1Cl	REAL300017475585	0	31	-2.0	-99.73	309.11	4.67	-95.06
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475586	0	31	-2.0	-109.29	312.93	5.42	-103.87
CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C)=C1C(=O)[O-]	REAL300017475587	0	37	-2.0	-102.75	316.54	5.74	-97.01
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475588	0	34	-2.0	-104.37	298.75	5.06	-99.31
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475589	0	31	-2.0	-115.44	304.23	4.96	-110.48
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475590	0	31	-2.0	-111.59	288.46	3.92	-107.67
O=C([O-])C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(Cl)=C1	REAL300017475591	0	31	-2.0	-98.82	300.53	5.08	-93.74
O=C([O-])C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475592	0	31	-2.0	-108.86	287.08	3.88	-104.98
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475593	0	34	-2.0	-120.06	315.19	5.42	-114.64
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC(Cl)=C1F	REAL300017475594	0	31	-2.0	-101.95	302.13	4.35	-97.60
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC(F)=C1Cl	REAL300017475595	0	31	-2.0	-99.77	300.03	4.29	-95.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1F	REAL300017475596	0	34	-2.0	-115.17	310.75	5.07	-110.10
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1Cl	REAL300017475603	1	35	-2.0	-128.03	331.68	3.52	-124.51
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C[C@H](F)C1	REAL300017475619	1	31	-2.0	-129.32	286.31	4.33	-124.99
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475640	1	34	-2.0	-113.02	333.53	4.77	-108.25
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=CC(Br)=C2F)C[C@H](F)C1	REAL300017475658	1	28	-2.0	-127.22	283.17	4.54	-122.68
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C(Cl)C=C1Cl	REAL300017475664	0	31	-2.0	-110.06	310.44	4.73	-105.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475665	0	35	-2.0	-102.65	291.39	4.45	-98.20
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1O	REAL300017475666	0	32	-2.0	-121.32	290.83	1.90	-119.42
O=C([O-])C=CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475667	0	35	-2.0	-101.04	314.00	5.13	-95.91
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475668	0	31	-2.0	-109.53	298.95	4.43	-105.10
O=C([O-])CCC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475669	0	37	-2.0	-101.46	325.78	5.90	-95.56
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475670	0	31	-2.0	-100.09	277.98	3.65	-96.44
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475671	0	34	-2.0	-99.02	303.62	4.62	-94.40
COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C(=O)[O-]	REAL300017475672	0	35	-2.0	-131.57	309.35	4.39	-127.18
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475673	0	35	-2.0	-101.19	313.28	4.60	-96.59
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475674	0	35	-2.0	-102.46	319.85	4.19	-98.27
O=C([O-])C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(F)=C1	REAL300017475675	0	31	-2.0	-96.99	290.75	4.53	-92.46
O=C([O-])C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1Cl	REAL300017475676	0	31	-2.0	-104.25	294.55	4.25	-100.00
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475677	0	34	-2.0	-130.09	296.95	4.73	-125.36
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1	REAL300017475678	0	39	-2.0	-96.06	345.94	5.25	-90.81
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475679	0	31	-2.0	-106.49	296.42	4.50	-101.99
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475679	1	30	-3.0	-184.66	296.66	4.63	-180.03
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC(C(=O)[O-])=C1C	REAL300017475680	0	37	-2.0	-101.76	318.68	5.49	-96.27
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475681	0	33	-2.0	-93.33	311.04	5.03	-88.30
COC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C(Cl)C=C1C(=O)[O-]	REAL300017475682	0	35	-2.0	-107.63	323.27	4.51	-103.12
O=C([O-])C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1Br	REAL300017475683	0	31	-2.0	-102.86	297.94	4.32	-98.54
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC(C(=O)[O-])=C1F	REAL300017475684	0	34	-2.0	-99.44	307.04	4.97	-94.47
CC1=CC(F)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C(=O)[O-]	REAL300017475685	0	34	-2.0	-101.45	291.98	4.62	-96.83
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1Cl	REAL300017475686	0	34	-2.0	-117.92	316.54	5.59	-112.33
CC1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC(C(=O)[O-])=C1Cl	REAL300017475687	0	34	-2.0	-97.64	313.44	5.28	-92.36
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475688	0	34	-2.0	-94.02	309.86	5.41	-88.61
COC1=CC(Cl)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C(=O)[O-]	REAL300017475689	0	35	-2.0	-115.89	322.97	4.34	-111.55
O=C([O-])C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C([N+](=O)[O-])=C1	REAL300017475690	0	33	-2.0	-92.49	302.05	5.86	-86.63
O=C([O-])C1=CC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475691	0	28	-2.0	-104.96	274.06	3.44	-101.52
O=C([O-])CC1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475692	0	34	-2.0	-99.66	304.73	4.62	-95.04
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC=C1[N+](=O)[O-]	REAL300017475693	0	33	-2.0	-127.95	309.60	5.46	-122.49
CC1=CC(C)=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C)=C1CC(=O)[O-]	REAL300017475694	0	43	-2.0	-101.15	340.97	6.42	-94.73
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1[N+](=O)[O-]	REAL300017475695	0	33	-2.0	-102.01	305.84	6.13	-95.88
CC(C)(C)C1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C(C(=O)[O-])S1	REAL300017475696	0	40	-2.0	-117.07	337.08	5.61	-111.46
CC1=C(Cl)C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C(=O)[O-]	REAL300017475697	0	34	-2.0	-96.36	315.72	5.40	-90.96
CC1=C(F)C=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1C(=O)[O-]	REAL300017475698	0	34	-2.0	-103.95	308.15	4.57	-99.38
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC2=CC=CC=C21	REAL300017475699	0	37	-2.0	-113.40	322.70	5.93	-107.47
COC(=O)C1=COC(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475706	1	31	-2.0	-120.66	296.94	2.62	-118.04
COC(=O)C1=NSC=C1S(=O)(=O)[N-][C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475737	1	30	-2.0	-123.58	290.49	2.58	-121.00
COC(=O)C1=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)SC=N1	REAL300017475738	0	30	-2.0	-132.42	291.46	2.00	-130.42
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C[C@H](F)C1	REAL300017475748	1	28	-2.0	-125.38	273.16	4.61	-120.77
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C[C@H](F)C1	REAL300017475753	0	27	-2.0	-117.41	275.91	3.27	-114.14
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C[C@H](F)C1	REAL300017475769	1	31	-2.0	-121.99	299.16	5.95	-116.04
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C[C@H](F)C1	REAL300017475782	1	32	-2.0	-131.69	304.36	4.79	-126.90
CC1=NC(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C(Br)N1C	REAL300017475785	1	31	-2.0	-130.67	297.17	3.35	-127.32
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=N1	REAL300017475807	0	30	-2.0	-137.39	283.41	2.66	-134.73
O=C([O-])C1=CC(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C(F)C(F)=C1F	REAL300017475816	0	30	-3.0	-183.02	300.94	4.63	-178.39
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C(F)C(F)=C1F	REAL300017475816	1	31	-2.0	-96.59	287.92	4.17	-92.42
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1OC	REAL300017475818	0	42	-2.0	-106.66	361.67	4.51	-102.15
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475819	0	35	-2.0	-105.39	297.10	4.00	-101.39
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1F	REAL300017475820	0	31	-2.0	-129.67	276.07	4.03	-125.64
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC(C(=O)[O-])=C1	REAL300017475835	0	33	-3.0	-199.36	310.61	4.38	-194.98
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475836	0	35	-2.0	-110.67	313.84	3.02	-107.65
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475837	0	31	-3.0	-193.49	277.51	3.82	-189.67
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475837	1	32	-2.0	-125.32	294.69	2.06	-123.26
O=C([O-])C1=CC=NC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475838	0	30	-2.0	-114.98	279.11	1.89	-113.09
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C(C(=O)[O-])=NN1	REAL300017475839	0	31	-2.0	-146.88	272.32	2.03	-144.85
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475840	0	34	-2.0	-117.26	305.73	4.77	-112.49
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C(Cl)O1	REAL300017475841	0	28	-2.0	-96.31	268.85	2.96	-93.35
O=C([O-])C1=CC(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C(Cl)O1	REAL300017475841	1	27	-3.0	-179.45	285.22	3.47	-175.98
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(Br)C=CO2)C[C@H](F)C1	REAL300017475844	0	25	-2.0	-122.63	260.54	2.55	-120.08
COC1=CC(F)=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)C=C1F	REAL300017475847	1	32	-2.0	-122.92	297.52	3.37	-119.55
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475854	0	32	-2.0	-127.06	297.11	4.47	-122.59
COC1=CC=C(F)C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C1OC	REAL300017475875	1	36	-2.0	-132.99	319.30	4.02	-128.97
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C[C@H](F)C1	REAL300017475882	1	31	-2.0	-131.87	286.51	3.03	-128.84
O=C([O-])[C@]1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H](F)C1	REAL300017475884	0	29	-2.0	-96.63	295.25	3.35	-93.28
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C[C@H](F)C1	REAL300017475927	1	31	-2.0	-122.58	287.33	5.51	-117.07
O=C([O-])C1=C(F)C=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1F	REAL300017475945	0	31	-2.0	-129.56	279.91	4.09	-125.47
O=C([O-])C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=CC(F)=C1F	REAL300017475946	0	31	-2.0	-102.31	292.50	3.93	-98.38
CCN1N=CC(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C1Cl	REAL300017475952	1	31	-2.0	-120.33	298.23	2.87	-117.46
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C[C@H](F)C1	REAL300017475955	0	28	-2.0	-122.58	286.50	4.76	-117.82
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C[C@H](F)C1	REAL300017475956	1	30	-2.0	-118.27	296.67	3.13	-115.14
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C[C@H](F)C1	REAL300017475962	1	28	-2.0	-116.35	283.87	4.54	-111.81
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)O1	REAL300017475963	1	34	-2.0	-133.90	319.92	0.05	-133.85
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475975	1	34	-2.0	-104.08	311.94	1.58	-102.50
CCOC(=O)C1=CC(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)=N[N-]1	REAL300017475975	1	34	-2.0	-104.36	312.26	1.58	-102.78
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C[C@H](F)C1	REAL300017475992	1	31	-2.0	-118.34	288.88	4.83	-113.51
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C[C@H](F)C1	REAL300017475994	0	25	-2.0	-112.58	281.69	4.04	-108.54
CN1N=CC(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C1Cl	REAL300017475995	1	28	-2.0	-118.05	276.40	1.99	-116.06
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])S1	REAL300017485332	1	31	-2.0	-102.96	317.58	1.32	-101.64
CC1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017485333	0	31	-2.0	-110.76	304.79	5.12	-105.64
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(F)=C1	REAL300017485722	1	36	-2.0	-102.10	341.17	1.53	-100.57
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485891	0	34	-2.0	-105.76	314.51	5.88	-99.88
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017485892	0	31	-2.0	-115.56	319.96	5.97	-109.59
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017485893	0	38	-2.0	-95.41	359.33	4.04	-91.37
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485894	0	39	-2.0	-107.13	358.86	6.71	-100.42
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485895	0	38	-2.0	-104.93	349.70	6.18	-98.75
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1CC(=O)[O-]	REAL300017485896	0	38	-2.0	-126.82	354.18	5.62	-121.20
CC1=CC(C)=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017485897	0	37	-2.0	-120.39	329.87	6.69	-113.70
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485898	0	35	-2.0	-106.96	320.08	3.93	-103.03
COC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017485899	0	39	-2.0	-108.30	361.07	5.26	-103.04
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017485900	0	42	-2.0	-89.54	375.82	6.27	-83.27
CCOC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017485901	0	38	-2.0	-126.83	352.84	6.47	-120.36
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017485902	0	28	-2.0	-96.23	306.76	5.02	-91.21
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017485903	0	28	-2.0	-99.90	294.68	4.49	-95.41
CC1=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017485904	0	31	-2.0	-111.23	300.71	4.42	-106.81
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017485905	0	37	-2.0	-106.13	344.94	5.23	-100.90
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017485906	0	41	-2.0	-100.01	383.46	6.74	-93.27
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017485907	0	35	-2.0	-99.83	350.82	6.31	-93.52
CC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017485908	0	38	-2.0	-99.90	354.87	6.47	-93.43
CC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017485909	0	44	-2.0	-97.06	397.32	7.40	-89.66
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017485910	0	31	-2.0	-99.15	330.46	6.28	-92.87
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017485911	0	31	-2.0	-92.06	319.41	5.98	-86.08
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017485912	0	28	-2.0	-93.22	311.55	5.13	-88.09
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017485913	0	37	-2.0	-104.24	330.37	6.52	-97.72
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485914	0	34	-2.0	-99.31	320.34	6.30	-93.01
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017485915	0	31	-2.0	-96.27	324.07	6.06	-90.21
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017485916	0	31	-2.0	-95.60	309.18	5.51	-90.09
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017485917	0	31	-2.0	-98.82	304.10	5.49	-93.33
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017485918	0	31	-2.0	-106.55	308.22	5.53	-101.02
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485919	0	34	-2.0	-106.44	323.21	6.27	-100.17
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017485920	0	31	-2.0	-101.28	323.49	5.97	-95.31
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017485921	0	31	-2.0	-98.58	321.14	5.89	-92.69
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1F	REAL300017485922	0	34	-2.0	-99.52	319.57	5.92	-93.60
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017485991	0	31	-2.0	-96.86	322.80	6.18	-90.68
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485992	0	35	-2.0	-107.05	327.39	5.40	-101.65
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017485993	0	32	-2.0	-121.21	312.50	3.54	-117.67
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017485994	0	35	-2.0	-99.81	334.32	6.75	-93.06
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017485995	0	31	-2.0	-96.96	309.63	5.62	-91.34
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017485996	0	37	-2.0	-98.64	346.45	7.04	-91.60
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017485997	0	31	-2.0	-100.44	305.25	5.44	-95.00
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017485998	0	34	-2.0	-100.19	325.05	6.23	-93.96
COC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017485999	0	35	-2.0	-108.65	331.02	5.56	-103.09
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017486000	0	35	-2.0	-98.27	333.95	5.73	-92.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017544206	1	38	-2.0	-102.40	331.88	1.50	-100.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300017544285	0	45	-2.0	-110.92	375.12	2.22	-108.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300017544377	0	36	-2.0	-94.69	304.57	5.77	-88.92
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017544378	0	33	-2.0	-113.81	311.66	5.73	-108.08
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017544379	0	40	-2.0	-91.90	347.77	3.63	-88.27
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300017544380	0	41	-2.0	-95.08	347.25	6.10	-88.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300017544381	0	40	-2.0	-101.16	338.18	5.59	-95.57
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300017544382	0	40	-2.0	-119.12	345.88	5.38	-113.74
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300017544383	0	39	-2.0	-104.98	313.46	7.16	-97.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300017544384	0	37	-2.0	-95.55	304.51	3.50	-92.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300017544385	0	41	-2.0	-105.86	351.88	4.88	-100.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017544386	0	44	-2.0	-94.94	370.89	6.18	-88.76
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017544387	0	40	-2.0	-110.36	344.55	6.23	-104.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017544388	0	30	-2.0	-88.50	292.36	4.56	-83.94
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017544389	0	30	-2.0	-102.30	287.85	4.63	-97.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300017544390	0	33	-2.0	-97.81	288.06	4.02	-93.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017544391	0	39	-2.0	-120.90	337.93	5.08	-115.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017544392	0	43	-2.0	-96.79	370.51	6.23	-90.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017544393	0	37	-2.0	-95.72	341.49	5.96	-89.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300017544394	0	43	-2.0	-96.24	380.32	6.72	-89.52
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300017544395	0	40	-2.0	-100.04	340.27	6.91	-93.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300017544396	0	46	-2.0	-101.86	382.72	7.84	-94.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017544397	0	33	-2.0	-95.86	321.24	5.91	-89.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017544398	0	33	-2.0	-95.75	313.16	6.02	-89.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017544399	0	30	-2.0	-97.97	296.23	5.61	-92.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300017544400	0	39	-2.0	-109.99	319.01	6.13	-103.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300017544401	0	36	-2.0	-95.58	299.23	5.73	-89.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017544402	0	33	-2.0	-109.68	317.04	5.92	-103.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017544403	0	33	-2.0	-98.42	298.53	5.23	-93.19
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300017544404	0	36	-2.0	-95.35	315.40	6.26	-89.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017544405	0	33	-2.0	-90.64	298.01	5.52	-85.12
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017544406	0	33	-2.0	-94.42	295.28	5.02	-89.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300017544407	0	36	-2.0	-95.89	313.22	6.18	-89.71
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017544408	0	33	-2.0	-97.89	315.09	5.69	-92.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017544409	0	33	-2.0	-95.56	312.74	5.59	-89.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300017544410	0	36	-2.0	-116.29	309.98	5.92	-110.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300017544411	0	36	-2.0	-104.33	320.03	6.21	-98.12
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017544479	0	33	-2.0	-93.57	309.00	5.78	-87.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300017544480	0	37	-2.0	-97.45	315.80	4.81	-92.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017544481	0	34	-2.0	-104.98	297.90	3.98	-101.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017544482	0	37	-2.0	-96.56	322.23	6.28	-90.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017544483	0	33	-2.0	-89.95	297.85	5.36	-84.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017544484	0	39	-2.0	-95.70	334.34	6.57	-89.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017544485	0	33	-2.0	-94.67	294.13	4.88	-89.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017544486	0	36	-2.0	-97.49	312.94	5.77	-91.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300017544487	0	37	-2.0	-120.58	316.38	6.00	-114.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017544488	0	37	-2.0	-95.27	321.85	5.28	-89.99
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017544489	0	37	-2.0	-97.00	331.69	5.49	-91.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017544490	0	33	-2.0	-98.52	289.98	5.27	-93.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017544491	0	33	-2.0	-92.00	303.78	5.45	-86.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300017544492	0	36	-2.0	-104.15	309.27	5.90	-98.25
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017544493	0	41	-2.0	-95.78	355.03	6.46	-89.32
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017544494	0	33	-2.0	-106.05	294.50	5.23	-100.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300017544495	0	39	-2.0	-102.60	328.17	6.22	-96.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017544496	0	35	-2.0	-93.79	321.76	5.73	-88.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300017544497	0	33	-2.0	-88.31	305.25	5.52	-82.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300017544498	0	37	-2.0	-101.17	324.14	5.48	-95.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017544499	0	33	-2.0	-91.37	307.52	5.55	-85.82
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300017544500	0	36	-2.0	-99.90	331.56	6.25	-93.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300017544501	0	36	-2.0	-96.28	317.23	6.26	-90.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300017544502	0	36	-2.0	-117.91	320.60	5.94	-111.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300017544503	0	36	-2.0	-91.33	306.79	5.50	-85.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300017544504	0	36	-2.0	-103.16	315.90	6.11	-97.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300017544505	0	36	-2.0	-104.99	323.36	6.13	-98.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300017544506	0	36	-2.0	-95.21	310.83	6.15	-89.06
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300017544507	0	37	-2.0	-95.43	327.45	5.46	-89.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017544508	0	37	-2.0	-99.15	328.51	5.81	-93.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017544509	0	35	-2.0	-94.68	303.33	6.63	-88.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017544510	0	30	-2.0	-101.87	280.61	5.02	-96.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017544511	0	36	-2.0	-107.80	311.32	6.69	-101.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017544512	0	35	-2.0	-105.22	314.73	6.96	-98.26
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300017544513	0	45	-2.0	-122.22	343.38	7.58	-114.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017544514	0	35	-2.0	-100.44	312.51	6.76	-93.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017544515	0	42	-2.0	-104.66	335.26	7.62	-97.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300017544516	0	36	-2.0	-99.65	327.52	6.17	-93.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300017544517	0	36	-2.0	-98.96	318.75	5.76	-93.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017544518	0	39	-2.0	-105.85	332.12	7.18	-98.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017544623	0	33	-2.0	-105.14	300.70	5.34	-99.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC	REAL300017544625	0	44	-2.0	-125.29	361.26	6.00	-119.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300017544626	0	37	-2.0	-105.87	312.03	5.31	-100.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017544627	0	33	-2.0	-126.63	292.93	5.03	-121.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017544642	0	35	-3.0	-168.10	320.54	5.73	-162.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300017544643	0	37	-2.0	-103.84	312.83	4.47	-99.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017544644	0	33	-3.0	-188.83	293.86	3.60	-185.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017544644	1	34	-2.0	-91.90	297.21	2.93	-88.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017544645	0	32	-2.0	-99.32	291.35	3.23	-96.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)NN=C1C(=O)[O-]	REAL300017544646	0	33	-2.0	-111.73	283.76	2.90	-108.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300017544647	0	36	-2.0	-93.64	300.35	5.49	-88.15
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017544648	0	30	-2.0	-95.18	287.25	3.89	-91.29
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017544685	0	37	-2.0	-110.64	332.87	6.48	-104.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017544692	0	31	-2.0	-97.95	294.69	4.54	-93.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017544746	0	33	-2.0	-122.95	296.86	4.88	-118.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017544747	0	33	-2.0	-97.58	305.20	5.25	-92.33
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300017544776	1	36	-2.0	-103.23	321.38	3.25	-99.98
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=N[N-]1	REAL300017544776	1	36	-2.0	-103.23	321.42	3.27	-99.96
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017544840	0	40	-2.0	-119.04	339.01	6.95	-112.09
CCC1=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017544852	0	36	-2.0	-112.70	316.48	4.95	-107.75
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)=C1	REAL300017544882	0	42	-2.0	-110.42	387.56	2.19	-108.23
COC1(C(F)(F)C[N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])S2)CCCCC1	REAL300017544899	1	44	-2.0	-100.55	378.72	4.64	-95.91
COC1(C(F)(F)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CCCCC1	REAL300017544901	1	41	-2.0	-103.67	357.32	3.73	-99.94
COC1(C(F)(F)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CCCCC1	REAL300017544914	1	44	-2.0	-106.23	369.62	4.76	-101.47
COC1(C(F)(F)C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)CCCCC1	REAL300017544916	1	44	-2.0	-96.32	369.60	4.77	-91.55
COC1(C(F)(F)C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)CCCCC1	REAL300017544919	1	44	-2.0	-113.89	367.75	4.73	-109.16
COC1(C(F)(F)CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])CCCCC1	REAL300017544920	0	45	-2.0	-104.19	364.25	3.73	-100.46
COC1(C(F)(F)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CCCCC1	REAL300017544921	1	43	-2.0	-107.02	360.35	2.82	-104.20
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCCOCC(=O)[O-])C=C1Br	REAL300017548563	1	32	-2.0	-93.21	335.23	3.53	-89.68
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCCOCC(=O)[O-])=C1F	REAL300017548569	1	37	-2.0	-103.35	364.38	3.75	-99.60
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCCOCC(=O)[O-])O1	REAL300017548590	1	37	-2.0	-97.72	346.69	1.95	-95.77
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCCOCC(=O)[O-])=C1F	REAL300017548608	1	37	-2.0	-102.94	354.06	3.31	-99.63
COC(=O)C1=CC=C(S(=O)(=O)[N-]CCCOCC(=O)[O-])O1	REAL300017548680	1	34	-2.0	-96.98	328.80	1.37	-95.61
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017548682	0	33	-2.0	-114.73	315.24	4.31	-110.42
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017548685	1	31	-2.0	-105.09	308.89	3.52	-101.57
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017548693	0	33	-2.0	-101.37	339.98	5.31	-96.06
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CCCOCC(=O)[O-])O1	REAL300017548706	1	37	-2.0	-97.13	350.66	2.29	-94.84
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017548711	1	34	-2.0	-104.24	327.71	4.72	-99.52
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017548712	1	33	-2.0	-103.09	329.09	4.80	-98.29
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017548715	1	28	-2.0	-99.28	301.56	2.15	-97.13
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017548720	1	30	-2.0	-94.55	318.86	1.89	-92.66
CCN1C=C(S(=O)(=O)[N-]CCCOCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300017548724	1	36	-2.0	-106.99	339.57	3.46	-103.53
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017548725	1	33	-2.0	-109.45	322.66	3.97	-105.48
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017548728	1	33	-2.0	-105.17	329.09	4.80	-100.37
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C(F)=C1	REAL300017548730	1	39	-2.0	-94.55	360.04	-0.50	-95.05
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017548750	1	33	-2.0	-111.15	322.94	4.81	-106.34
CCCCCCN1C=C(S(=O)(=O)[N-]CCCOCC(=O)[O-])C(=O)NC1=O	REAL300017548771	1	49	-2.0	-104.72	425.47	3.33	-101.39
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017548777	1	28	-2.0	-96.41	293.63	1.30	-95.11
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017548779	1	28	-2.0	-94.16	316.73	2.84	-91.32
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCCOCC(=O)[O-])C(F)=C1	REAL300017548793	0	32	-2.0	-98.91	318.55	3.25	-95.66
O=C([O-])COCCC[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017548810	1	30	-2.0	-92.06	314.69	1.76	-90.30
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017548835	1	31	-2.0	-94.92	324.42	3.71	-91.21
COC1=CC(F)=C(S(=O)(=O)[N-]CCCOCC(=O)[O-])C(F)=C1	REAL300017548863	1	35	-2.0	-104.51	327.25	2.16	-102.35
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017548879	1	31	-2.0	-104.26	301.04	2.70	-101.56
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548896	0	37	-2.0	-98.92	339.72	4.46	-94.46
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017548897	0	34	-2.0	-100.91	336.22	4.01	-96.90
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548898	0	41	-2.0	-96.33	376.41	2.10	-94.23
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548899	0	42	-2.0	-104.00	371.82	4.64	-99.36
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548900	0	41	-2.0	-103.21	362.65	4.12	-99.09
COC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1CC(=O)[O-]	REAL300017548901	0	41	-2.0	-106.18	370.43	3.65	-102.53
CC1=CC(C)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(=O)[O-]	REAL300017548902	0	40	-2.0	-104.91	350.48	4.96	-99.95
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548903	0	38	-2.0	-106.25	343.35	2.46	-103.79
COC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017548904	0	42	-2.0	-105.49	378.27	3.33	-102.16
CCOC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(=O)[O-]	REAL300017548905	0	41	-2.0	-110.36	369.10	4.49	-105.87
O=C([O-])COCCCNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017548906	0	31	-2.0	-102.41	311.62	2.54	-99.87
CC1=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017548907	0	34	-2.0	-102.34	324.70	2.61	-99.73
O=C([O-])COCCCNS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017548908	0	40	-2.0	-107.97	362.13	3.29	-104.68
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1F	REAL300017548909	0	44	-2.0	-101.52	399.71	4.77	-96.75
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017548910	0	38	-2.0	-99.13	367.07	4.34	-94.79
CC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017548911	0	41	-2.0	-98.98	371.11	4.51	-94.47
CC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017548912	0	47	-2.0	-99.43	413.56	5.44	-93.99
O=C([O-])COCCCNS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017548913	0	34	-2.0	-97.04	347.63	4.37	-92.67
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017548914	0	34	-2.0	-93.61	336.71	4.03	-89.58
CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017548915	0	40	-2.0	-105.11	353.22	5.02	-100.09
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548916	0	37	-2.0	-99.45	334.56	4.43	-95.02
O=C([O-])COCCCNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017548917	0	34	-2.0	-98.48	341.25	4.13	-94.35
O=C([O-])COCCCNS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017548918	0	34	-2.0	-98.27	326.36	3.58	-94.69
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017548919	0	34	-2.0	-95.36	321.53	3.56	-91.80
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017548920	0	34	-2.0	-101.18	324.48	3.56	-97.62
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548921	0	37	-2.0	-99.56	348.40	4.84	-94.72
O=C([O-])COCCCNS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017548922	0	34	-2.0	-99.83	340.66	4.05	-95.78
O=C([O-])COCCCNS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017548923	0	34	-2.0	-96.86	338.31	3.96	-92.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1F	REAL300017548924	0	37	-2.0	-98.39	338.45	3.90	-94.49
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017548947	1	34	-2.0	-104.51	319.01	2.97	-101.54
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017548992	0	34	-2.0	-95.47	334.12	3.96	-91.51
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548993	0	38	-2.0	-104.53	340.35	3.34	-101.19
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017548994	0	35	-2.0	-105.58	328.77	1.56	-104.02
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548995	0	38	-2.0	-100.82	351.40	4.81	-96.01
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017548996	0	34	-2.0	-98.34	336.36	4.27	-94.07
O=C([O-])CCC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017548997	0	40	-2.0	-97.99	363.53	5.11	-92.88
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017548998	0	34	-2.0	-98.14	318.17	3.26	-94.88
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017548999	0	37	-2.0	-98.70	342.13	4.30	-94.40
COC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(=O)[O-]	REAL300017549000	0	38	-2.0	-109.60	347.25	3.58	-106.02
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017549759	1	31	-2.0	-110.45	307.75	4.71	-105.74
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300017549763	1	36	-2.0	-128.16	341.25	4.62	-123.54
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300017549779	1	34	-2.0	-111.34	318.02	1.20	-110.14
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300017549786	1	36	-2.0	-116.25	320.33	3.10	-113.15
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300017549803	1	36	-2.0	-127.27	330.93	4.18	-123.09
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017549849	1	30	-2.0	-111.60	300.02	4.94	-106.66
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300017549879	1	33	-2.0	-117.96	305.98	2.22	-115.74
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017549880	0	32	-2.0	-136.11	289.38	5.20	-130.91
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017549883	1	30	-2.0	-123.01	286.61	4.34	-118.67
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017549891	0	32	-2.0	-117.76	316.98	6.10	-111.66
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC)CC(=O)[O-])O1	REAL300017549904	1	36	-2.0	-118.52	327.84	3.14	-115.38
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017549908	1	33	-2.0	-121.17	297.95	5.58	-115.59
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017549909	1	32	-2.0	-123.32	293.59	5.77	-117.55
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017549912	1	27	-2.0	-120.49	275.20	3.30	-117.19
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017549917	1	29	-2.0	-111.55	289.53	2.99	-108.56
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300017549921	1	35	-2.0	-119.00	308.37	4.40	-114.60
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017549922	1	32	-2.0	-133.68	296.02	5.09	-128.59
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017549925	1	32	-2.0	-127.70	295.08	5.78	-121.92
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017549927	1	38	-2.0	-99.34	334.51	0.89	-98.45
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017549946	1	32	-2.0	-132.79	297.56	5.71	-127.08
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H](CC)CC(=O)[O-])C(=O)NC1=O	REAL300017549967	1	48	-2.0	-116.89	399.45	4.42	-112.47
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017549973	1	27	-2.0	-117.84	270.82	2.14	-115.70
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017549975	1	27	-2.0	-111.29	293.59	3.69	-107.60
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017549990	0	31	-2.0	-120.28	292.19	4.39	-115.89
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300017550065	1	34	-2.0	-128.42	300.86	3.30	-125.12
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300017550098	0	36	-2.0	-101.67	306.80	5.12	-96.55
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017550099	0	33	-2.0	-103.89	311.90	4.51	-99.38
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017550100	0	40	-2.0	-93.97	352.14	2.61	-91.36
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300017550101	0	41	-2.0	-113.60	346.89	5.85	-107.75
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300017550102	0	40	-2.0	-114.60	337.66	5.31	-109.29
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300017550103	0	40	-2.0	-124.93	346.16	4.15	-120.78
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300017550104	0	39	-2.0	-106.38	321.57	5.76	-100.62
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300017550105	0	37	-2.0	-107.53	310.28	3.13	-104.40
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300017550106	0	41	-2.0	-119.77	353.99	3.83	-115.94
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017550107	0	44	-2.0	-96.64	372.03	5.08	-91.56
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017550108	0	40	-2.0	-114.14	344.78	4.99	-109.15
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017550109	0	30	-2.0	-105.76	299.43	4.51	-101.25
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017550110	0	30	-2.0	-106.90	280.79	3.34	-103.56
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300017550111	0	33	-2.0	-107.50	291.23	3.39	-104.11
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017550112	0	39	-2.0	-121.74	337.83	3.79	-117.95
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017550113	0	43	-2.0	-96.49	368.56	5.55	-90.94
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017550114	0	37	-2.0	-98.81	335.92	5.12	-93.69
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300017550115	0	43	-2.0	-95.41	378.36	6.04	-89.37
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300017550116	0	40	-2.0	-100.93	339.98	5.29	-95.64
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300017550117	0	46	-2.0	-96.91	382.36	6.22	-90.69
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017550118	0	33	-2.0	-107.86	316.55	5.15	-102.71
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017550119	0	33	-2.0	-103.57	304.54	4.97	-98.60
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017550120	0	30	-2.0	-95.11	293.57	3.60	-91.51
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300017550121	0	39	-2.0	-122.47	320.30	5.70	-116.77
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300017550122	0	36	-2.0	-106.97	301.38	5.09	-101.88
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017550123	0	33	-2.0	-103.64	310.17	4.91	-98.73
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017550124	0	33	-2.0	-103.29	295.28	4.38	-98.91
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300017550125	0	36	-2.0	-112.05	316.11	5.43	-106.62
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017550126	0	33	-2.0	-96.21	300.16	5.11	-91.10
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017550127	0	33	-2.0	-108.74	293.28	4.34	-104.40
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300017550128	0	36	-2.0	-101.48	315.58	5.51	-95.97
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017550129	0	33	-2.0	-110.47	309.58	4.83	-105.64
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017550130	0	33	-2.0	-107.27	307.23	4.74	-102.53
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300017550131	0	36	-2.0	-110.81	311.78	5.29	-105.52
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300017550132	0	36	-2.0	-101.45	321.26	5.54	-95.91
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017550200	0	33	-2.0	-104.34	303.79	4.97	-99.37
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300017550201	0	37	-2.0	-118.64	315.41	4.55	-114.09
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017550202	0	34	-2.0	-109.47	304.44	2.07	-107.40
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017550203	0	37	-2.0	-99.53	327.13	5.32	-94.21
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017550204	0	33	-2.0	-109.92	304.97	5.41	-104.51
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017550205	0	39	-2.0	-97.46	339.24	5.61	-91.85
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017550206	0	33	-2.0	-105.62	287.32	4.23	-101.39
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017550207	0	36	-2.0	-99.74	317.86	4.81	-94.93
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300017550208	0	37	-2.0	-122.09	322.93	4.09	-118.00
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017550209	0	37	-2.0	-99.65	326.76	4.31	-95.34
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017550210	0	37	-2.0	-100.60	326.11	4.65	-95.95
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017550211	0	33	-2.0	-96.34	292.65	4.65	-91.69
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017550212	0	33	-2.0	-104.98	301.26	4.69	-100.29
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300017550213	0	36	-2.0	-106.14	311.79	5.28	-100.86
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017550214	0	41	-2.0	-95.78	359.41	5.43	-90.35
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017550215	0	33	-2.0	-100.65	293.69	4.29	-96.36
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017550215	1	32	-3.0	-189.02	302.00	4.43	-184.59
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300017550216	0	39	-2.0	-111.44	332.66	5.19	-106.25
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017550217	0	35	-2.0	-104.36	317.08	4.97	-99.39
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300017550218	0	33	-2.0	-99.56	307.66	5.00	-94.56
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300017550219	0	37	-2.0	-100.06	327.45	5.18	-94.88
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017550220	0	33	-2.0	-104.12	304.99	4.79	-99.33
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300017550221	0	36	-2.0	-110.01	323.30	5.37	-104.64
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C	REAL300017550222	0	36	-2.0	-101.50	319.60	5.60	-95.90
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300017550223	0	36	-2.0	-117.59	320.51	4.67	-112.92
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300017550224	0	36	-2.0	-106.26	302.86	4.68	-101.58
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300017550225	0	36	-2.0	-111.39	317.66	5.69	-105.70
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300017550226	0	36	-2.0	-114.63	326.90	4.98	-109.65
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300017550227	0	36	-2.0	-111.76	311.56	5.33	-106.43
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300017550228	0	37	-2.0	-115.95	329.57	5.33	-110.62
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017550229	0	37	-2.0	-96.40	331.86	5.03	-91.37
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017550230	0	35	-2.0	-105.19	303.51	5.65	-99.54
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017550231	0	30	-2.0	-105.47	281.48	3.49	-101.98
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017550232	0	36	-2.0	-113.03	311.11	5.09	-107.94
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017550233	0	35	-2.0	-110.71	321.64	5.08	-105.63
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300017550234	0	45	-2.0	-113.05	354.74	6.61	-106.44
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017550235	0	35	-2.0	-121.68	310.17	6.05	-115.63
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017550236	0	42	-2.0	-129.20	341.48	6.01	-123.19
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300017550237	0	36	-2.0	-109.64	319.28	5.28	-104.36
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300017550238	0	36	-2.0	-108.74	310.57	4.90	-103.84
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017550239	0	39	-2.0	-115.95	329.55	6.42	-109.53
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300017550246	1	33	-2.0	-123.60	302.77	2.46	-121.14
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300017550272	0	32	-2.0	-131.20	303.25	1.48	-129.72
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017550280	1	30	-2.0	-124.70	283.03	4.20	-120.50
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017550284	1	29	-2.0	-116.54	282.22	3.16	-113.38
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300017550317	1	33	-2.0	-128.71	303.50	3.17	-125.54
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017550337	0	32	-2.0	-138.56	291.25	2.59	-135.97
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F	REAL300017550341	1	34	-2.0	-124.45	315.90	3.63	-120.82
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017550344	0	33	-2.0	-100.88	298.00	4.31	-96.57
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017550344	1	32	-3.0	-184.30	306.40	4.45	-179.85
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC	REAL300017550346	0	44	-2.0	-114.62	367.29	5.13	-109.49
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300017550347	0	37	-2.0	-101.51	315.06	4.51	-97.00
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017550348	0	33	-2.0	-105.94	289.66	4.61	-101.33
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017550363	0	35	-3.0	-197.83	317.34	4.86	-192.97
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300017550364	0	37	-2.0	-103.09	314.80	3.82	-99.27
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017550365	0	33	-3.0	-196.66	288.03	3.28	-193.38
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017550365	1	34	-2.0	-106.05	296.53	2.55	-103.50
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017550366	0	32	-2.0	-105.09	292.38	2.13	-102.96
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)NN=C1C(=O)[O-]	REAL300017550367	0	33	-2.0	-113.61	286.11	1.77	-111.84
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300017550368	0	36	-2.0	-106.89	305.93	4.94	-101.95
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017550369	0	30	-2.0	-106.73	280.75	3.08	-103.65
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017550372	0	27	-2.0	-121.38	266.99	2.31	-119.07
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300017550383	1	34	-2.0	-125.10	303.44	4.03	-121.07
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1	REAL300017550402	0	33	-2.0	-112.22	321.33	3.12	-109.10
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017550406	0	37	-2.0	-113.02	339.42	4.57	-108.45
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017550411	1	33	-2.0	-131.69	292.28	2.91	-128.78
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017550413	0	31	-2.0	-99.42	297.23	3.84	-95.58
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017550467	0	33	-2.0	-105.07	294.92	4.66	-100.41
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017550468	0	33	-2.0	-110.02	299.69	4.39	-105.63
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017550476	0	30	-2.0	-120.61	296.77	4.29	-116.32
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017550477	1	32	-2.0	-110.90	302.89	3.00	-107.90
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F	REAL300017550481	1	34	-2.0	-127.30	318.80	4.41	-122.89
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017550484	1	30	-2.0	-112.09	289.31	4.35	-107.74
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])=C1	REAL300017550497	1	36	-2.0	-109.16	325.03	1.09	-108.07
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])=N[N-]1	REAL300017550497	1	36	-2.0	-109.09	325.17	1.10	-107.99
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC	REAL300017550505	1	34	-2.0	-124.98	317.63	4.61	-120.37
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017550512	1	27	-2.0	-112.05	287.76	3.83	-108.22
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300017550518	1	27	-2.0	-118.75	281.39	3.76	-114.99
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017550561	0	40	-2.0	-121.59	341.14	5.91	-115.68
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017550565	1	37	-2.0	-123.19	330.90	4.78	-118.41
CCC1=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017550573	0	36	-2.0	-109.25	312.87	4.13	-105.12
CCN1C=C(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C=C1C(=O)[O-]	REAL300017550579	0	48	-2.0	-128.97	381.05	7.47	-121.50
O=C([O-])C1=CC=CC(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=C1	REAL300017550582	0	44	-2.0	-107.77	359.50	8.27	-99.50
CC1=CC=C(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C=C1C(=O)[O-]	REAL300017550583	0	47	-2.0	-122.75	375.53	8.81	-113.94
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C=C1	REAL300017550584	0	44	-2.0	-103.50	361.59	8.17	-95.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=C1C	REAL300017550585	0	50	-2.0	-113.19	387.40	8.83	-104.36
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)S1	REAL300017550586	0	44	-2.0	-106.19	368.04	7.31	-98.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300017550587	0	47	-2.0	-126.81	364.24	7.84	-118.97
O=C([O-])C1=CSC(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=C1	REAL300017550588	0	41	-2.0	-103.54	346.56	6.39	-97.15
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300017550589	0	50	-2.0	-130.11	385.79	8.83	-121.28
CN1C=C(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C=C1C(=O)[O-]	REAL300017550590	0	45	-2.0	-127.06	359.68	6.61	-120.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=C1	REAL300017550591	0	44	-2.0	-103.39	363.22	7.01	-96.38
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=C(C)O1	REAL300017550592	0	47	-2.0	-142.61	373.29	8.27	-134.34
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC2(CC1C(=O)[O-])CCCCC2	REAL300017550593	0	47	-2.0	-107.08	358.88	7.72	-99.36
CCC1=CC=C(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C=C1C(=O)[O-]	REAL300017550594	0	50	-2.0	-124.52	393.38	9.50	-115.02
CC1=CC(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)=CC=C1C(=O)[O-]	REAL300017550595	0	47	-2.0	-103.34	375.45	8.86	-94.48
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)S1	REAL300017550718	1	44	-2.0	-112.07	367.38	3.06	-109.01
CC1=C(S(=O)(=O)N2CC3(CC2C(=O)[O-])CCCCC3)C=C(C(=O)[O-])S1	REAL300017550722	0	44	-2.0	-122.93	360.07	7.90	-115.03
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017563739	1	39	-2.0	-104.28	344.03	2.26	-102.02
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563907	0	37	-2.0	-120.16	307.61	5.85	-114.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017563908	0	34	-2.0	-116.38	315.19	6.50	-109.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017563909	0	41	-2.0	-99.80	355.00	4.57	-95.23
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563910	0	42	-2.0	-120.71	355.62	7.24	-113.47
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563911	0	41	-2.0	-124.03	346.47	6.70	-117.33
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1CC(=O)[O-]	REAL300017563912	0	41	-2.0	-121.44	349.02	6.11	-115.33
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017563913	0	40	-2.0	-130.53	317.45	6.33	-124.20
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563914	0	38	-2.0	-128.01	314.95	4.56	-123.45
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017563915	0	42	-2.0	-106.68	354.15	5.75	-100.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017563916	0	45	-2.0	-100.53	375.88	7.09	-93.44
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017563917	0	41	-2.0	-127.37	348.06	6.98	-120.39
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017563918	0	31	-2.0	-111.80	302.16	5.60	-106.20
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017563919	0	31	-2.0	-102.20	282.75	4.39	-97.81
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017563920	0	34	-2.0	-115.94	299.62	5.12	-110.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017563921	0	40	-2.0	-111.80	338.08	5.70	-106.10
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017563922	0	44	-2.0	-104.34	378.69	7.25	-97.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017563923	0	38	-2.0	-101.91	346.05	6.82	-95.09
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017563924	0	41	-2.0	-103.78	350.11	7.00	-96.78
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017563925	0	47	-2.0	-105.84	392.56	7.93	-97.91
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017563926	0	34	-2.0	-98.63	323.61	6.77	-91.86
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017563927	0	34	-2.0	-109.59	320.03	6.78	-102.81
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017563928	0	31	-2.0	-106.09	303.07	5.27	-100.82
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017563929	0	40	-2.0	-107.04	324.64	7.12	-99.92
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563930	0	37	-2.0	-106.04	306.24	6.51	-99.53
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017563931	0	34	-2.0	-101.50	320.25	6.61	-94.89
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017563932	0	34	-2.0	-100.46	305.37	6.06	-94.40
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017563933	0	34	-2.0	-99.31	304.75	6.34	-92.97
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017563934	0	34	-2.0	-102.14	303.44	6.04	-96.10
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300017563935	0	37	-2.0	-121.70	316.37	6.25	-115.45
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017563936	0	34	-2.0	-100.07	316.63	6.45	-93.62
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017563937	0	34	-2.0	-97.80	314.28	6.37	-91.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1F	REAL300017563938	0	37	-2.0	-116.30	322.48	6.65	-109.65
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017587373	1	41	-2.0	-92.57	368.56	2.36	-90.21
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587540	0	39	-2.0	-96.46	338.15	6.66	-89.80
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017587541	0	36	-2.0	-115.21	340.60	6.61	-108.60
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017587542	0	43	-2.0	-94.11	383.54	4.75	-89.36
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587543	0	44	-2.0	-101.68	380.30	7.37	-94.31
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587544	0	43	-2.0	-99.99	371.15	6.85	-93.14
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1CC(=O)[O-]	REAL300017587545	0	43	-2.0	-123.37	374.81	6.26	-117.11
CC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017587546	0	42	-2.0	-109.20	353.90	7.50	-101.70
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587547	0	40	-2.0	-103.20	341.88	4.66	-98.54
COC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017587548	0	44	-2.0	-111.47	384.80	6.01	-105.46
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017587549	0	47	-2.0	-94.02	403.92	7.22	-86.80
CCOC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017587550	0	43	-2.0	-125.84	373.46	7.11	-118.73
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017587551	0	33	-2.0	-114.11	316.24	5.16	-108.95
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017587552	0	36	-2.0	-99.74	322.86	5.13	-94.61
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017587553	0	42	-2.0	-104.67	368.64	5.98	-98.69
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017587554	0	46	-2.0	-104.32	404.08	7.38	-96.94
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017587555	0	40	-2.0	-102.56	371.44	6.94	-95.62
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017587556	0	43	-2.0	-101.74	375.49	7.12	-94.62
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017587557	0	49	-2.0	-100.91	417.93	8.05	-92.86
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017587558	0	36	-2.0	-101.87	354.15	7.06	-94.81
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017587559	0	36	-2.0	-99.23	347.94	6.97	-92.26
CC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017587560	0	42	-2.0	-108.13	352.27	7.24	-100.89
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587561	0	39	-2.0	-97.85	333.16	6.62	-91.23
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017587562	0	36	-2.0	-95.16	348.37	6.78	-88.38
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017587563	0	36	-2.0	-94.80	333.48	6.23	-88.57
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017587564	0	36	-2.0	-95.24	330.00	6.39	-88.85
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017587565	0	36	-2.0	-106.24	328.83	6.17	-100.07
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587566	0	39	-2.0	-97.14	346.86	7.04	-90.10
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017587567	0	36	-2.0	-104.40	347.19	6.74	-97.66
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017587568	0	36	-2.0	-101.38	344.84	6.65	-94.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1F	REAL300017587569	0	39	-2.0	-97.67	346.99	6.74	-90.93
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017587641	0	36	-2.0	-94.38	345.18	6.89	-87.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587642	0	40	-2.0	-102.27	348.83	6.07	-96.20
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017587643	0	37	-2.0	-120.05	333.12	4.18	-115.87
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017587644	0	40	-2.0	-98.84	358.53	7.46	-91.38
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017587645	0	36	-2.0	-96.31	332.41	6.46	-89.85
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017587646	0	42	-2.0	-97.46	370.65	7.75	-89.71
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017587647	0	36	-2.0	-97.24	326.70	6.11	-91.13
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017587648	0	39	-2.0	-99.18	349.25	6.95	-92.23
COC1=CC=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017587649	0	40	-2.0	-105.00	351.61	6.20	-98.80
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017587650	0	40	-2.0	-97.77	358.15	6.45	-91.32
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017587651	0	40	-2.0	-104.88	361.64	6.47	-98.41
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017587652	0	36	-2.0	-96.58	326.66	6.12	-90.46
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017587653	0	36	-2.0	-102.25	336.81	6.53	-95.72
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587654	0	39	-2.0	-112.39	346.28	6.74	-105.65
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017587655	0	44	-2.0	-99.24	388.07	7.55	-91.69
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017587656	0	36	-2.0	-92.50	332.98	6.16	-86.34
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017587657	0	42	-2.0	-112.60	363.27	7.37	-105.23
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017587658	0	38	-2.0	-98.73	354.67	6.87	-91.86
COC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017587659	0	40	-2.0	-99.25	359.94	6.57	-92.68
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017587660	0	36	-2.0	-101.23	340.54	6.62	-94.61
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017587661	0	39	-2.0	-101.06	351.32	6.86	-94.20
CC1=CC(F)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017587662	0	39	-2.0	-97.05	342.75	6.65	-90.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1Cl	REAL300017587663	0	39	-2.0	-97.23	348.68	6.97	-90.26
CC1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017587664	0	39	-2.0	-98.32	357.71	7.16	-91.16
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587665	0	39	-2.0	-98.50	345.67	7.05	-91.45
COC1=CC(Cl)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017587666	0	40	-2.0	-110.41	359.95	6.58	-103.83
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017587667	0	40	-2.0	-96.64	365.34	6.58	-90.06
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017587668	0	38	-2.0	-97.53	345.65	7.92	-89.61
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017587669	0	33	-2.0	-99.70	318.73	5.33	-94.37
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017587670	0	39	-2.0	-109.62	346.52	6.90	-102.72
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017587671	0	38	-2.0	-126.87	350.90	7.21	-119.66
CC1=CC(C)=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017587672	0	48	-2.0	-100.70	379.15	8.58	-92.12
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017587673	0	38	-2.0	-117.41	348.38	8.05	-109.36
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017587674	0	45	-2.0	-103.33	379.70	8.28	-95.05
CC1=C(Cl)C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017587675	0	39	-2.0	-104.45	360.82	7.23	-97.22
CC1=C(F)C=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017587676	0	39	-2.0	-103.47	352.02	6.84	-96.63
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017587677	0	42	-2.0	-117.42	367.51	8.32	-109.10
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017587795	0	36	-2.0	-92.75	337.40	6.19	-86.56
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1OC	REAL300017587797	0	47	-2.0	-103.58	402.81	6.83	-96.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587798	0	40	-2.0	-97.60	348.86	6.09	-91.51
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017587799	0	36	-2.0	-101.05	325.32	6.03	-95.02
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017587814	0	38	-3.0	-171.36	354.89	6.77	-164.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587815	0	40	-2.0	-107.43	349.62	5.27	-102.16
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017587816	0	36	-3.0	-171.02	326.84	4.88	-166.14
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017587816	1	37	-2.0	-102.21	328.40	4.14	-98.07
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017587817	0	35	-2.0	-99.58	323.46	4.30	-95.28
CC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C(C(=O)[O-])=NN1	REAL300017587818	0	36	-2.0	-121.79	315.84	3.96	-117.83
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCCCC(=O)[O-]	REAL300017587819	0	39	-2.0	-102.63	337.64	6.66	-95.97
CN(CCCCC(=O)[O-])S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017587820	0	33	-2.0	-94.78	320.54	4.97	-89.81
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017587860	0	40	-2.0	-98.93	368.11	6.68	-92.25
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017587867	0	34	-2.0	-94.53	331.21	5.34	-89.19
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017587926	0	36	-2.0	-113.06	329.42	6.10	-106.96
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017587927	0	36	-2.0	-104.02	337.30	6.30	-97.72
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)CCCCC(=O)[O-])=C1	REAL300017587957	1	39	-2.0	-94.36	354.84	3.30	-91.06
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCCCC(=O)[O-])=N[N-]1	REAL300017587957	1	39	-2.0	-94.37	354.95	3.30	-91.07
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])C=C1Br	REAL300017588454	1	30	-2.0	-103.98	305.88	2.84	-101.14
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])=C1F	REAL300017588460	1	35	-2.0	-117.56	335.36	3.07	-114.49
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])O1	REAL300017588483	1	35	-2.0	-110.64	317.59	1.17	-109.47
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])=C1F	REAL300017588501	1	35	-2.0	-116.76	325.04	2.62	-114.14
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])O1	REAL300017588572	1	32	-2.0	-109.24	299.78	0.67	-108.57
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017588574	0	31	-2.0	-128.49	285.35	3.44	-125.05
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017588577	1	29	-2.0	-119.15	279.78	2.73	-116.42
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017588585	0	31	-2.0	-114.33	310.27	4.52	-109.81
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])O1	REAL300017588598	1	35	-2.0	-109.52	321.64	1.59	-107.93
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017588603	1	32	-2.0	-115.81	298.33	4.01	-111.80
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017588604	1	31	-2.0	-115.21	296.62	4.06	-111.15
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017588607	1	26	-2.0	-110.51	268.74	1.64	-108.87
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017588612	1	28	-2.0	-106.03	289.84	1.18	-104.85
CCN1C=C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017588616	1	34	-2.0	-119.59	310.47	2.64	-116.95
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017588617	1	31	-2.0	-122.98	293.27	3.16	-119.82
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017588620	1	31	-2.0	-121.70	304.90	3.89	-117.81
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(F)=C1	REAL300017588622	1	37	-2.0	-92.07	329.24	-1.82	-93.89
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017588640	1	31	-2.0	-123.72	293.23	3.95	-119.77
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])C(=O)NC1=O	REAL300017588662	1	47	-2.0	-116.99	396.44	2.62	-114.37
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017588668	1	26	-2.0	-108.88	264.62	0.61	-108.27
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017588670	1	26	-2.0	-106.34	288.00	2.02	-104.32
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])C(F)=C1	REAL300017588685	0	30	-2.0	-109.97	288.44	2.60	-107.37
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017588703	1	28	-2.0	-102.25	285.67	1.06	-101.19
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017588729	1	29	-2.0	-106.66	295.70	2.90	-103.76
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])C(F)=C1	REAL300017588756	1	33	-2.0	-118.14	298.20	1.46	-116.68
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017588768	1	28	-2.0	-106.19	285.38	1.03	-105.16
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017588772	1	29	-2.0	-117.96	272.02	2.01	-115.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588789	0	35	-2.0	-96.11	314.61	3.30	-92.81
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300017588790	0	32	-2.0	-101.18	310.96	2.84	-98.34
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588791	0	39	-2.0	-89.49	350.64	1.08	-88.41
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588792	0	40	-2.0	-103.27	337.93	3.55	-99.72
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588793	0	39	-2.0	-104.94	328.75	3.02	-101.92
COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1CC(=O)[O-]	REAL300017588794	0	39	-2.0	-104.81	345.20	2.48	-102.33
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017588795	0	38	-2.0	-101.38	323.48	3.78	-97.60
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588796	0	36	-2.0	-105.96	318.21	1.31	-104.65
COC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017588797	0	40	-2.0	-99.19	352.42	2.12	-97.07
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)[O-])C=C2)C1	REAL300017588798	0	43	-2.0	-89.86	371.06	3.58	-86.28
CCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017588799	0	39	-2.0	-111.53	343.84	3.33	-108.20
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CS1	REAL300017588800	0	29	-2.0	-99.11	285.93	1.54	-97.57
CC1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017588801	0	32	-2.0	-96.27	299.36	1.59	-94.68
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC2=C1OCCO2	REAL300017588802	0	38	-2.0	-106.34	336.28	2.09	-104.25
O=C([O-])CCCOC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1F	REAL300017588803	0	42	-2.0	-98.21	374.46	3.60	-94.61
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1Cl	REAL300017588804	0	36	-2.0	-95.32	341.82	3.17	-92.15
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017588805	0	39	-2.0	-96.04	345.87	3.34	-92.70
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017588806	0	45	-2.0	-97.76	388.32	4.27	-93.49
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC(Cl)=C1Cl	REAL300017588807	0	32	-2.0	-93.98	321.79	3.17	-90.81
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588808	0	32	-2.0	-92.31	322.63	3.43	-88.88
CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017588809	0	38	-2.0	-101.39	327.31	3.98	-97.41
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588810	0	35	-2.0	-93.62	310.24	3.18	-90.44
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588811	0	32	-2.0	-92.67	315.41	2.93	-89.74
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588812	0	32	-2.0	-91.82	300.52	2.38	-89.44
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(Cl)=C1	REAL300017588813	0	32	-2.0	-93.69	300.79	2.77	-90.92
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1F	REAL300017588814	0	32	-2.0	-95.37	299.26	2.40	-92.97
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588815	0	35	-2.0	-97.71	323.28	3.69	-94.02
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC(Cl)=C1F	REAL300017588816	0	32	-2.0	-96.01	314.82	2.85	-93.16
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC(F)=C1Cl	REAL300017588817	0	32	-2.0	-93.28	312.47	2.76	-90.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1F	REAL300017588818	0	35	-2.0	-97.98	308.55	2.77	-95.21
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017588842	1	32	-2.0	-118.99	288.90	2.32	-116.67
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300017588890	0	32	-2.0	-86.61	313.79	3.22	-83.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588891	0	36	-2.0	-105.01	305.40	2.32	-102.69
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1O	REAL300017588892	0	33	-2.0	-105.12	303.51	0.41	-104.71
O=C([O-])C=CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588893	0	36	-2.0	-94.23	325.63	3.79	-90.44
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588894	0	32	-2.0	-98.90	309.58	3.34	-95.56
O=C([O-])CCC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588895	0	38	-2.0	-92.96	337.75	4.08	-88.88
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588896	0	32	-2.0	-96.78	286.20	2.19	-94.59
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588897	0	35	-2.0	-94.55	316.35	3.28	-91.27
COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017588898	0	36	-2.0	-109.66	321.97	2.42	-107.24
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588899	0	36	-2.0	-92.69	325.25	2.78	-89.91
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1F	REAL300017588900	0	36	-2.0	-96.60	332.02	2.70	-93.90
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(F)=C1	REAL300017588901	0	32	-2.0	-89.57	288.35	2.14	-87.43
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1Cl	REAL300017588902	0	32	-2.0	-92.76	307.23	2.76	-90.00
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588903	0	35	-2.0	-102.32	308.20	2.62	-99.70
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588904	0	40	-2.0	-92.69	357.91	3.90	-88.79
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588905	0	32	-2.0	-90.26	294.78	2.03	-88.23
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588905	1	31	-3.0	-179.62	300.45	2.57	-177.05
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017588906	0	38	-2.0	-99.71	326.84	3.38	-96.33
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588907	0	34	-2.0	-87.77	322.31	2.98	-84.79
COC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017588908	0	36	-2.0	-97.70	326.97	2.98	-94.72
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1Br	REAL300017588909	0	32	-2.0	-92.11	310.97	2.86	-89.25
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017588910	0	35	-2.0	-103.64	319.60	2.99	-100.65
CC1=CC(F)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017588911	0	35	-2.0	-98.34	305.98	2.83	-95.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1Cl	REAL300017588912	0	35	-2.0	-91.33	325.82	3.47	-87.86
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017588913	0	35	-2.0	-101.40	326.00	3.30	-98.10
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588914	0	35	-2.0	-91.95	319.76	3.72	-88.23
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017588915	0	36	-2.0	-94.86	326.89	2.99	-91.87
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(OC(F)(F)F)=C1	REAL300017588916	0	36	-2.0	-89.48	322.77	2.54	-86.94
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300017588917	0	34	-2.0	-90.11	311.84	3.89	-86.22
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])S1	REAL300017588918	0	29	-2.0	-95.34	287.54	1.50	-93.84
O=C([O-])CC1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588919	0	35	-2.0	-99.14	315.28	3.34	-95.80
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017588920	0	34	-2.0	-105.97	322.00	3.37	-102.60
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017588921	0	44	-2.0	-103.13	355.11	5.20	-97.93
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300017588922	0	34	-2.0	-109.42	317.94	4.26	-105.16
CC(C)(C)C1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017588923	0	41	-2.0	-99.80	343.37	4.14	-95.66
CC1=C(Cl)C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017588924	0	35	-2.0	-91.82	323.71	3.28	-88.54
CC1=C(F)C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017588925	0	35	-2.0	-90.86	315.01	2.89	-87.97
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC2=CC=CC=C21	REAL300017588926	0	38	-2.0	-111.52	335.69	4.47	-107.05
COC(=O)C1=COC(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588933	1	32	-2.0	-113.91	300.12	0.61	-113.30
COC(=O)C1=C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])SC=N1	REAL300017588965	0	31	-2.0	-115.50	297.19	0.16	-115.34
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017588975	1	29	-2.0	-119.90	276.20	2.59	-117.31
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017588980	1	28	-2.0	-110.35	279.21	1.33	-109.02
N#CC1=CC(F)=C(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])C=C1Br	REAL300017613128	1	29	-2.0	-98.71	310.34	0.87	-97.84
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])=C1F	REAL300017613132	1	34	-2.0	-109.97	339.53	1.09	-108.88
NC(=O)C1=CC(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])=C(F)C=C1Br	REAL300017613148	1	32	-2.0	-101.82	320.62	-2.62	-104.44
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])O1	REAL300017613155	1	34	-2.0	-103.51	321.83	-0.72	-104.23
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])=C1F	REAL300017613172	1	34	-2.0	-109.39	329.21	0.65	-108.74
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017613218	1	28	-2.0	-99.36	297.97	1.43	-97.93
COC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])O1	REAL300017613248	1	31	-2.0	-102.65	303.93	-1.29	-103.94
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017613249	0	30	-2.0	-121.99	290.37	1.64	-120.35
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017613252	1	28	-2.0	-111.22	284.03	0.85	-110.37
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017613260	0	30	-2.0	-108.54	311.19	2.67	-105.87
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])O1	REAL300017613273	1	34	-2.0	-102.80	325.79	-0.37	-103.17
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017613277	1	31	-2.0	-110.07	302.82	2.06	-108.01
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017613278	1	30	-2.0	-110.12	304.23	2.13	-107.99
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017613281	1	25	-2.0	-104.65	276.70	-0.52	-105.17
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017613286	1	27	-2.0	-100.25	294.00	-0.77	-101.02
CCN1C=C(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300017613290	1	33	-2.0	-113.89	314.71	0.80	-113.09
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017613291	1	30	-2.0	-116.49	297.72	1.32	-115.17
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017613294	1	30	-2.0	-112.20	304.23	2.13	-110.07
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(F)=C1	REAL300017613296	1	36	-2.0	-91.82	335.17	-3.18	-95.00
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017613315	1	30	-2.0	-118.24	298.10	2.15	-116.09
CCCCCCN1C=C(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])C(=O)NC1=O	REAL300017613337	1	46	-2.0	-111.06	400.60	0.67	-110.39
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017613343	1	25	-2.0	-102.25	268.77	-1.37	-103.62
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017613345	1	25	-2.0	-99.70	291.87	0.16	-99.54
N#CC1=CC(F)=C(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])C(F)=C1	REAL300017613360	0	29	-2.0	-104.41	293.68	0.59	-103.82
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613376	0	43	-2.0	-101.51	377.38	-2.42	-103.93
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017613378	1	27	-2.0	-97.47	289.83	-0.89	-98.36
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017613402	1	28	-2.0	-101.03	305.99	1.05	-99.98
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017613405	1	28	-2.0	-100.78	299.55	1.05	-99.73
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])C(F)=C1	REAL300017613436	1	32	-2.0	-110.63	302.37	-0.51	-111.14
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613468	0	34	-2.0	-98.18	314.87	1.78	-96.40
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017613469	0	31	-2.0	-101.14	311.34	1.33	-99.81
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613470	0	38	-2.0	-96.03	351.55	-0.57	-96.60
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613471	0	39	-2.0	-103.55	346.95	1.97	-101.58
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613472	0	38	-2.0	-104.12	337.79	1.44	-102.68
COC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1CC(=O)[O-]	REAL300017613473	0	38	-2.0	-107.74	345.57	0.97	-106.77
CC1=CC(C)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017613474	0	37	-2.0	-104.12	326.01	2.29	-101.83
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613475	0	35	-2.0	-105.54	319.38	-0.30	-105.84
COC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017613476	0	39	-2.0	-105.44	353.38	0.65	-104.79
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017613477	0	42	-2.0	-95.08	371.93	1.91	-93.17
CCOC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017613478	0	38	-2.0	-110.98	344.22	1.82	-109.16
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017613479	0	28	-2.0	-95.74	293.09	0.13	-95.61
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017613480	0	28	-2.0	-102.89	286.74	-0.14	-103.03
CC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017613481	0	31	-2.0	-101.44	299.83	-0.05	-101.49
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017613482	0	37	-2.0	-108.54	337.26	0.61	-107.93
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1F	REAL300017613483	0	41	-2.0	-101.24	374.83	2.09	-99.15
O=C([O-])COC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1Cl	REAL300017613484	0	35	-2.0	-98.76	342.19	1.66	-97.10
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1Cl	REAL300017613485	0	41	-2.0	-100.04	384.64	2.58	-97.46
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017613486	0	38	-2.0	-98.60	346.25	1.83	-96.77
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017613487	0	44	-2.0	-99.37	388.70	2.76	-96.61
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017613488	0	31	-2.0	-97.09	322.78	1.69	-95.40
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017613489	0	31	-2.0	-93.27	311.85	1.36	-91.91
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017613490	0	28	-2.0	-94.58	303.40	0.38	-94.20
CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017613491	0	37	-2.0	-106.46	329.04	2.25	-104.21
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613492	0	34	-2.0	-98.82	309.70	1.76	-97.06
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017613493	0	31	-2.0	-98.89	316.39	1.45	-97.44
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017613494	0	31	-2.0	-98.52	301.51	0.91	-97.61
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613495	0	34	-2.0	-97.03	325.60	2.23	-94.80
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017613496	0	31	-2.0	-95.03	296.67	0.89	-94.14
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017613497	0	31	-2.0	-100.72	299.61	0.88	-99.84
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613498	0	34	-2.0	-98.76	323.55	2.18	-96.58
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017613499	0	31	-2.0	-99.71	315.81	1.37	-98.34
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017613500	0	31	-2.0	-96.86	313.46	1.28	-95.58
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1F	REAL300017613501	0	34	-2.0	-98.25	313.60	1.22	-97.03
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1Br	REAL300017613502	0	34	-2.0	-98.86	329.65	2.17	-96.69
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017613568	0	31	-2.0	-95.12	309.14	1.27	-93.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613569	0	35	-2.0	-104.30	315.49	0.66	-103.64
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017613570	0	32	-2.0	-106.19	303.91	-1.11	-107.30
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613571	0	35	-2.0	-100.28	326.54	2.14	-98.14
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017613572	0	31	-2.0	-98.03	311.49	1.61	-96.42
O=C([O-])CCC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613573	0	37	-2.0	-97.76	338.66	2.43	-95.33
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017613574	0	31	-2.0	-97.99	293.31	0.59	-97.40
O=C([O-])CC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613575	0	34	-2.0	-98.31	317.26	1.63	-96.68
COC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017613576	0	35	-2.0	-110.03	322.38	0.91	-109.12
O=C([O-])COC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613577	0	35	-2.0	-98.51	326.16	1.13	-97.38
O=C([O-])COC1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1F	REAL300017613578	0	35	-2.0	-100.58	332.39	1.19	-99.39
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017613579	0	31	-2.0	-95.45	293.28	0.60	-94.85
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017613580	0	31	-2.0	-97.19	307.59	1.24	-95.95
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613581	0	34	-2.0	-107.41	312.89	1.22	-106.19
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1	REAL300017613582	0	39	-2.0	-98.76	358.84	2.25	-96.51
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017613583	0	31	-2.0	-92.54	299.59	0.65	-91.89
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017613583	1	30	-3.0	-166.11	304.60	0.59	-165.52
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017613584	0	37	-2.0	-105.08	327.97	1.91	-103.17
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017613585	0	33	-2.0	-95.22	323.28	1.51	-93.71
COC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017613586	0	35	-2.0	-99.86	323.92	0.95	-98.91
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017613587	0	31	-2.0	-96.37	311.34	1.34	-95.03
CC1=C(Br)C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017613588	0	34	-2.0	-99.57	332.98	2.00	-97.57
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613589	0	34	-2.0	-98.98	327.58	2.27	-96.71
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017613590	0	34	-2.0	-105.70	319.93	1.49	-104.21
CC1=CC(F)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017613591	0	34	-2.0	-97.75	309.38	1.14	-96.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1Cl	REAL300017613592	0	34	-2.0	-98.33	315.39	1.48	-96.85
CC1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017613593	0	34	-2.0	-102.70	326.31	1.81	-100.89
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613594	0	34	-2.0	-97.00	321.03	2.13	-94.87
COC1=CC(Cl)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017613595	0	35	-2.0	-103.08	323.94	0.96	-102.12
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017613596	0	35	-2.0	-95.44	332.01	1.17	-94.27
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017613597	0	33	-2.0	-95.06	312.45	2.34	-92.72
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017613598	0	28	-2.0	-97.90	287.37	-0.03	-97.93
O=C([O-])CC1=CC=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613599	0	34	-2.0	-102.24	317.26	1.62	-100.62
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017613600	0	33	-2.0	-110.73	321.67	1.93	-108.80
CC1=CC(C)=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017613601	0	43	-2.0	-102.48	355.80	3.48	-99.00
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017613602	0	33	-2.0	-111.92	318.70	2.69	-109.23
CC(C)(C)C1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017613603	0	40	-2.0	-105.75	345.20	2.57	-103.18
CC1=C(Cl)C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017613604	0	34	-2.0	-99.44	328.88	1.91	-97.53
CC1=C(F)C=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017613605	0	34	-2.0	-98.66	320.06	1.52	-97.14
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017613606	0	37	-2.0	-110.24	336.14	2.97	-107.27
COC(=O)C1=COC(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])=C1	REAL300017613613	1	31	-2.0	-106.63	304.27	-1.35	-107.98
COC(=O)C1=C(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])SC=N1	REAL300017613639	0	30	-2.0	-110.68	299.54	-1.75	-112.43
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017613647	1	28	-2.0	-111.92	280.44	0.71	-111.21
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017613651	1	27	-2.0	-104.98	283.35	-0.65	-105.63
CC1=NC(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])=C(Br)N1C	REAL300017613684	1	31	-2.0	-115.60	305.01	-0.64	-116.24
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])=N1	REAL300017613704	0	30	-2.0	-118.96	291.46	-1.10	-120.06
COC1=CC=C(Br)C(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])=C1F	REAL300017613708	1	32	-2.0	-113.60	313.32	0.15	-113.45
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017613712	0	31	-2.0	-93.02	304.03	0.68	-92.34
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017613712	1	30	-3.0	-162.60	308.99	0.61	-161.99
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1OC	REAL300017613714	0	42	-2.0	-100.23	374.63	1.43	-98.80
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613715	0	35	-2.0	-98.16	315.52	0.67	-97.49
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017613716	0	31	-2.0	-107.55	291.44	0.55	-107.00
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017613732	0	33	-3.0	-169.88	323.50	1.40	-168.48
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613733	0	35	-2.0	-105.85	323.84	-0.07	-105.92
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017613734	0	31	-3.0	-167.48	293.49	-0.54	-168.02
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017613734	1	32	-2.0	-102.01	304.58	-1.45	-103.46
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017613735	0	30	-2.0	-99.48	291.31	-1.04	-100.52
CC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C(C(=O)[O-])=NN1	REAL300017613736	0	31	-2.0	-113.39	288.02	-1.26	-114.65
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H](O)CC(=O)[O-]	REAL300017613737	0	34	-2.0	-104.93	314.23	1.79	-103.14
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017613738	0	28	-2.0	-95.11	286.61	-0.55	-95.66
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017613741	0	25	-2.0	-105.20	265.05	-1.36	-106.56
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-]	REAL300017613752	1	32	-2.0	-109.24	304.37	0.60	-108.64
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])=C1	REAL300017613772	0	31	-2.0	-99.78	323.03	-0.71	-100.49
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017613776	0	35	-2.0	-102.57	338.88	1.39	-101.18
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017613781	1	31	-2.0	-114.39	293.82	-0.86	-115.25
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017613783	0	29	-2.0	-89.98	297.86	-0.06	-90.04
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017613839	0	31	-2.0	-108.34	296.01	0.58	-107.76
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017613840	0	31	-2.0	-99.69	305.93	0.93	-98.76
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017613848	0	28	-2.0	-105.82	294.19	0.82	-105.00
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017613849	1	30	-2.0	-102.58	305.40	-0.81	-103.39
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-]	REAL300017613853	1	32	-2.0	-114.77	316.22	0.93	-113.84
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017613856	1	28	-2.0	-102.96	291.95	0.52	-102.44
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=C1	REAL300017613869	1	34	-2.0	-92.94	323.31	-2.07	-95.01
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H](O)CC(=O)[O-])=N[N-]1	REAL300017613869	1	34	-2.0	-92.87	323.41	-2.06	-94.93
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-]	REAL300017613877	1	32	-2.0	-108.43	318.52	1.18	-107.25
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017613884	1	25	-2.0	-97.06	289.46	0.01	-97.05
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300017613890	1	25	-2.0	-103.49	282.89	-0.06	-103.55
O=C([O-])C[C@@H](O)CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017613934	0	38	-2.0	-101.48	340.53	2.74	-98.74
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017613938	1	35	-2.0	-108.43	332.33	0.97	-107.46
CCC1=C(S(=O)(=O)NC[C@H](O)CC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017613946	0	34	-2.0	-100.91	319.44	0.76	-100.15
CCN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017613951	0	38	-2.0	-120.09	330.68	5.60	-114.49
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017613952	0	43	-2.0	-124.07	348.81	6.90	-117.17
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017613953	0	44	-2.0	-115.05	356.04	7.93	-107.12
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017613954	0	41	-2.0	-126.17	340.28	7.09	-119.08
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017613956	0	34	-2.0	-113.70	309.70	5.61	-108.09
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017613957	0	34	-2.0	-95.88	315.07	5.96	-89.92
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017613958	0	34	-2.0	-98.74	302.68	5.58	-93.16
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017613959	0	37	-2.0	-117.98	318.78	6.11	-111.87
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017613960	0	34	-2.0	-98.91	302.66	5.58	-93.33
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1C	REAL300017613961	0	40	-2.0	-126.10	329.99	6.29	-119.81
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300017613962	0	34	-2.0	-97.69	317.09	5.33	-92.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017613963	0	37	-2.0	-123.09	310.60	5.77	-117.32
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017613964	0	31	-2.0	-105.74	285.96	5.26	-100.48
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017613965	0	40	-2.0	-110.83	336.01	7.16	-103.67
CN1C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017613966	0	35	-2.0	-98.96	309.32	4.92	-94.04
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017613967	0	34	-2.0	-104.45	311.42	5.29	-99.16
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C(C)O1	REAL300017613968	0	37	-2.0	-103.52	312.87	5.84	-97.68
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017613969	0	34	-2.0	-112.74	314.17	5.64	-107.10
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017613970	0	37	-2.0	-100.01	305.51	5.65	-94.36
CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017613971	0	40	-2.0	-98.72	336.17	6.80	-91.92
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1C(=O)[O-]	REAL300017613972	0	37	-2.0	-99.13	322.28	6.19	-92.94
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017613973	0	34	-2.0	-98.88	312.15	5.70	-93.18
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017613974	0	37	-2.0	-99.57	332.41	6.42	-93.15
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(F)=C1	REAL300017614517	1	39	-2.0	-96.23	347.02	1.79	-94.44
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614685	0	37	-2.0	-113.58	316.19	5.80	-107.78
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017614686	0	34	-2.0	-95.25	318.81	6.05	-89.20
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614687	0	41	-2.0	-96.76	359.15	4.16	-92.60
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614688	0	42	-2.0	-102.09	358.92	6.72	-95.37
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614689	0	41	-2.0	-101.22	349.78	6.19	-95.03
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1CC(=O)[O-]	REAL300017614690	0	41	-2.0	-103.27	352.74	5.73	-97.54
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017614691	0	40	-2.0	-127.58	330.92	6.35	-121.23
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614692	0	38	-2.0	-124.85	319.44	3.83	-121.02
COC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017614693	0	42	-2.0	-119.85	360.64	5.42	-114.43
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017614694	0	45	-2.0	-94.41	379.60	6.66	-87.75
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017614695	0	41	-2.0	-126.44	351.44	6.59	-119.85
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017614696	0	31	-2.0	-109.90	307.48	4.89	-105.01
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017614697	0	31	-2.0	-118.01	293.39	4.37	-113.64
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017614698	0	34	-2.0	-96.73	301.28	4.58	-92.15
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017614699	0	40	-2.0	-122.25	344.47	5.37	-116.88
O=C([O-])CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300017614700	0	44	-2.0	-98.11	382.04	6.86	-91.25
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1Cl	REAL300017614701	0	38	-2.0	-96.77	349.40	6.44	-90.33
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017614702	0	41	-2.0	-99.35	353.43	6.60	-92.75
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017614703	0	47	-2.0	-99.60	395.88	7.53	-92.07
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017614704	0	34	-2.0	-109.00	329.98	6.46	-102.54
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017614705	0	34	-2.0	-107.40	324.85	6.06	-101.34
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017614706	0	31	-2.0	-96.78	310.05	5.41	-91.37
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017614707	0	40	-2.0	-104.49	329.44	6.39	-98.10
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614708	0	37	-2.0	-105.89	310.65	5.77	-100.12
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017614709	0	34	-2.0	-94.22	323.59	6.22	-88.00
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017614710	0	34	-2.0	-93.77	308.70	5.68	-88.09
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017614711	0	34	-2.0	-98.59	309.98	5.62	-92.97
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017614712	0	34	-2.0	-102.51	306.83	5.65	-96.86
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614713	0	37	-2.0	-116.60	326.30	6.17	-110.43
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017614714	0	34	-2.0	-111.11	323.02	6.14	-104.97
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017614715	0	34	-2.0	-108.05	320.67	6.05	-102.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1F	REAL300017614716	0	37	-2.0	-98.87	325.44	6.18	-92.69
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017614787	0	34	-2.0	-110.36	322.13	6.00	-104.36
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614788	0	38	-2.0	-102.47	327.36	5.40	-97.07
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017614789	0	35	-2.0	-120.45	311.10	3.66	-116.79
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614790	0	38	-2.0	-101.37	334.14	6.87	-94.50
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017614791	0	34	-2.0	-113.96	311.78	5.69	-108.27
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614792	0	40	-2.0	-98.32	346.25	7.16	-91.16
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017614793	0	34	-2.0	-98.30	305.13	5.55	-92.75
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614794	0	37	-2.0	-100.68	324.47	6.39	-94.29
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017614795	0	38	-2.0	-125.78	329.58	5.68	-120.10
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614796	0	38	-2.0	-98.49	333.75	5.86	-92.63
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1F	REAL300017614797	0	38	-2.0	-97.91	339.59	5.96	-91.95
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017614798	0	34	-2.0	-99.08	305.13	5.56	-93.52
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017614799	0	34	-2.0	-98.98	314.80	6.01	-92.97
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614800	0	37	-2.0	-121.22	324.77	6.18	-115.04
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1	REAL300017614801	0	42	-2.0	-99.09	366.42	6.99	-92.10
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017614802	0	34	-2.0	-93.65	311.41	5.61	-88.04
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017614803	0	40	-2.0	-127.66	337.99	6.46	-121.20
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017614804	0	36	-2.0	-91.45	330.49	6.28	-85.17
COC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017614805	0	38	-2.0	-103.13	337.33	5.69	-97.44
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017614806	0	34	-2.0	-98.17	318.53	6.11	-92.06
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017614807	0	37	-2.0	-98.61	326.27	5.94	-92.67
CC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017614808	0	37	-2.0	-98.38	321.26	6.09	-92.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1Cl	REAL300017614809	0	37	-2.0	-114.90	328.70	6.19	-108.71
CC1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017614810	0	37	-2.0	-96.48	332.65	6.25	-90.23
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614811	0	37	-2.0	-96.40	322.18	6.15	-90.25
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017614812	0	38	-2.0	-120.17	337.21	5.68	-114.49
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017614813	0	38	-2.0	-98.24	343.98	5.92	-92.32
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017614814	0	36	-2.0	-99.76	323.01	7.13	-92.63
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017614815	0	31	-2.0	-97.39	294.31	4.48	-92.91
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614816	0	37	-2.0	-100.93	324.85	6.34	-94.59
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017614817	0	36	-2.0	-115.99	327.03	6.71	-109.28
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017614818	0	46	-2.0	-97.86	360.83	8.18	-89.68
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017614819	0	36	-2.0	-124.48	319.52	7.19	-117.29
CC(C)(C)C1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017614820	0	43	-2.0	-116.83	347.56	7.93	-108.90
CC1=C(Cl)C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017614821	0	37	-2.0	-95.02	336.43	6.64	-88.38
CC1=C(F)C=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017614822	0	37	-2.0	-108.82	327.69	6.26	-102.56
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017614823	0	40	-2.0	-103.76	343.31	7.69	-96.07
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017614940	0	34	-2.0	-93.00	315.82	5.63	-87.37
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1OC	REAL300017614942	0	45	-2.0	-107.14	377.87	6.24	-100.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614943	0	38	-2.0	-98.69	327.48	5.44	-93.25
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017614944	0	34	-2.0	-101.06	305.94	5.36	-95.70
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017614959	0	36	-3.0	-175.90	331.01	6.13	-169.77
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017614960	0	38	-2.0	-101.99	327.08	4.59	-97.40
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017614961	0	34	-3.0	-183.81	305.48	4.23	-179.58
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017614961	1	35	-2.0	-120.03	308.18	3.24	-116.79
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017614962	0	33	-2.0	-109.32	298.91	3.71	-105.61
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C(C(=O)[O-])=NN1	REAL300017614963	0	34	-2.0	-134.85	293.70	3.20	-131.65
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-]	REAL300017614964	0	37	-2.0	-123.45	314.63	5.79	-117.66
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017614965	0	31	-2.0	-104.40	301.52	4.27	-100.13
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017615556	1	31	-2.0	-110.89	312.95	4.35	-106.54
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300017615560	1	36	-2.0	-129.89	338.09	4.89	-125.00
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300017615576	1	34	-2.0	-118.25	319.24	1.19	-117.06
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300017615583	1	36	-2.0	-121.05	320.42	3.09	-117.96
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300017615600	1	36	-2.0	-128.94	327.77	4.45	-124.49
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017615646	1	30	-2.0	-112.63	296.12	5.24	-107.39
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300017615676	1	33	-2.0	-119.64	302.53	2.51	-117.13
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017615677	0	32	-2.0	-141.97	286.38	5.66	-136.31
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017615680	1	30	-2.0	-129.17	282.41	4.67	-124.50
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017615688	0	32	-2.0	-123.96	310.03	6.89	-117.07
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](CC)CC(=O)[O-])O1	REAL300017615701	1	36	-2.0	-120.27	324.39	3.43	-116.84
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017615705	1	33	-2.0	-126.20	299.43	5.68	-120.52
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017615706	1	32	-2.0	-126.55	295.88	5.86	-120.69
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017615709	1	27	-2.0	-120.50	275.29	3.29	-117.21
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017615714	1	29	-2.0	-113.69	292.62	3.03	-110.66
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300017615718	1	35	-2.0	-132.06	311.53	4.64	-127.42
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017615719	1	32	-2.0	-136.18	294.78	5.24	-130.94
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017615722	1	32	-2.0	-125.00	311.92	5.69	-119.31
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017615724	1	38	-2.0	-98.90	323.87	0.66	-98.24
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017615743	1	32	-2.0	-126.42	292.97	5.71	-120.71
CCCCCCN1C=C(S(=O)(=O)[N-][C@H](CC)CC(=O)[O-])C(=O)NC1=O	REAL300017615764	1	48	-2.0	-131.94	399.22	4.43	-127.51
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017615770	1	27	-2.0	-119.64	267.37	2.44	-117.20
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017615772	1	27	-2.0	-112.84	290.44	3.97	-108.87
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017615787	0	31	-2.0	-118.17	296.28	4.06	-114.11
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300017615803	0	45	-2.0	-122.50	378.44	0.81	-121.69
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017615805	1	29	-2.0	-109.38	288.43	2.89	-106.49
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017615828	1	30	-2.0	-117.45	304.60	4.86	-112.59
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017615831	1	30	-2.0	-111.39	302.17	4.52	-106.87
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300017615862	1	34	-2.0	-126.21	304.97	2.97	-123.24
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300017615895	0	36	-2.0	-101.88	306.47	4.99	-96.89
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017615896	0	33	-2.0	-100.35	302.76	5.01	-95.34
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017615897	0	40	-2.0	-96.93	342.96	3.12	-93.81
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300017615898	0	41	-2.0	-100.39	346.80	5.81	-94.58
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300017615899	0	40	-2.0	-110.78	337.61	5.27	-105.51
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300017615900	0	40	-2.0	-116.21	337.00	4.67	-111.54
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300017615901	0	39	-2.0	-105.68	316.57	5.42	-100.26
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300017615902	0	37	-2.0	-106.62	308.81	3.02	-103.60
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300017615903	0	41	-2.0	-104.34	345.20	4.39	-99.95
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017615904	0	44	-2.0	-95.29	362.46	5.58	-89.71
CCOC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017615905	0	40	-2.0	-121.28	335.26	5.51	-115.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017615906	0	30	-2.0	-98.13	283.70	4.08	-94.05
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017615907	0	30	-2.0	-101.80	278.42	3.61	-98.19
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300017615908	0	33	-2.0	-106.93	287.37	3.42	-103.51
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017615909	0	39	-2.0	-108.87	329.05	4.34	-104.53
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017615910	0	43	-2.0	-100.05	365.93	5.80	-94.25
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017615911	0	37	-2.0	-99.48	333.30	5.36	-94.12
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300017615912	0	43	-2.0	-99.51	375.73	6.29	-93.22
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300017615913	0	40	-2.0	-99.67	337.24	5.51	-94.16
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300017615914	0	46	-2.0	-100.75	379.69	6.44	-94.31
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017615915	0	33	-2.0	-96.23	314.20	5.39	-90.84
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017615916	0	33	-2.0	-97.08	315.10	5.31	-91.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017615917	0	30	-2.0	-104.83	299.48	4.17	-100.66
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300017615918	0	39	-2.0	-122.92	318.85	5.60	-117.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300017615919	0	36	-2.0	-106.70	300.00	4.99	-101.71
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017615920	0	33	-2.0	-107.37	307.83	5.13	-102.24
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017615921	0	33	-2.0	-106.15	292.94	4.60	-101.55
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300017615922	0	36	-2.0	-111.43	316.86	5.59	-105.84
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017615923	0	33	-2.0	-103.43	299.72	4.83	-98.60
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017615924	0	33	-2.0	-100.85	290.73	4.57	-96.28
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300017615925	0	36	-2.0	-101.78	315.29	5.38	-96.40
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017615926	0	33	-2.0	-97.97	307.24	5.07	-92.90
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017615927	0	33	-2.0	-95.55	304.86	4.98	-90.57
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300017615928	0	36	-2.0	-104.70	302.58	5.06	-99.64
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br	REAL300017615929	0	36	-2.0	-101.20	321.06	5.55	-95.65
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017615997	0	33	-2.0	-97.39	312.35	5.22	-92.17
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300017615998	0	37	-2.0	-106.69	315.32	4.52	-102.17
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017615999	0	34	-2.0	-115.32	294.92	2.58	-112.74
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017616000	0	37	-2.0	-101.99	317.95	5.84	-96.15
COC1=CC(F)=C(S(=O)(=O)[N-]CCOCCC(=O)[O-])C(F)=C1	REAL300017617074	1	35	-2.0	-103.36	326.62	1.51	-101.85
O=C([O-])CCOCC[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017617090	1	31	-2.0	-104.94	300.42	2.04	-102.90
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617107	0	37	-2.0	-93.84	338.87	3.83	-90.01
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017617108	0	34	-2.0	-95.82	335.35	3.38	-92.44
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017617109	0	41	-2.0	-92.86	375.55	1.47	-91.39
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617110	0	42	-2.0	-103.01	370.96	4.01	-99.00
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617111	0	41	-2.0	-104.71	361.79	3.49	-101.22
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1CC(=O)[O-]	REAL300017617112	0	41	-2.0	-108.73	369.57	3.02	-105.71
CC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017617113	0	40	-2.0	-98.60	349.57	4.34	-94.26
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617114	0	38	-2.0	-100.04	342.56	1.85	-98.19
COC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017617115	0	42	-2.0	-100.61	377.42	2.70	-97.91
CCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017617116	0	41	-2.0	-112.20	368.24	3.86	-108.34
O=C([O-])CCOCCNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017617117	0	31	-2.0	-103.19	310.76	1.91	-101.28
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017617118	0	34	-2.0	-97.72	323.84	1.99	-95.73
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017617119	0	40	-2.0	-109.41	361.27	2.66	-106.75
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1F	REAL300017617120	0	44	-2.0	-99.27	398.85	4.14	-95.13
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017617121	0	38	-2.0	-97.08	366.21	3.71	-93.37
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017617122	0	41	-2.0	-96.62	370.25	3.88	-92.74
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017617123	0	47	-2.0	-96.77	412.70	4.81	-91.96
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017617124	0	34	-2.0	-92.49	346.77	3.74	-88.75
O=C([O-])CCOCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017617125	0	34	-2.0	-92.91	335.85	3.41	-89.50
CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017617126	0	40	-2.0	-107.23	352.33	4.39	-102.84
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617127	0	37	-2.0	-96.78	333.69	3.79	-92.99
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017617128	0	34	-2.0	-99.41	340.39	3.50	-95.91
O=C([O-])CCOCCNS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017617129	0	34	-2.0	-98.98	325.50	2.95	-96.03
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017617130	0	34	-2.0	-92.97	320.68	2.94	-90.03
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017617131	0	34	-2.0	-99.64	323.62	2.93	-96.71
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617132	0	37	-2.0	-94.31	347.55	4.22	-90.09
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017617133	0	34	-2.0	-95.14	339.80	3.42	-91.72
O=C([O-])CCOCCNS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017617134	0	34	-2.0	-92.40	337.45	3.33	-89.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1F	REAL300017617135	0	37	-2.0	-97.99	337.60	3.28	-94.71
O=C([O-])CCOCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017617158	1	34	-2.0	-104.80	318.39	2.32	-102.48
O=C([O-])CCOCCNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017617203	0	34	-2.0	-95.02	333.26	3.33	-91.69
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617204	0	38	-2.0	-104.67	339.49	2.71	-101.96
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017617205	0	35	-2.0	-107.15	327.90	0.93	-106.22
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1	REAL300017617206	0	38	-2.0	-97.60	350.54	4.18	-93.42
O=C([O-])CCOCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017617207	0	34	-2.0	-93.59	335.47	3.64	-89.95
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017617208	0	40	-2.0	-95.33	362.66	4.48	-90.85
O=C([O-])CCOCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017617209	0	34	-2.0	-97.57	317.31	2.64	-94.93
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017617210	0	37	-2.0	-96.08	341.26	3.67	-92.41
COC1=CC=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017617211	0	38	-2.0	-104.26	346.39	2.95	-101.31
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017617212	0	38	-2.0	-96.29	350.19	3.17	-93.12
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017617213	0	38	-2.0	-99.10	356.40	3.23	-95.87
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017617214	0	34	-2.0	-93.10	317.28	2.65	-90.45
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017617215	0	34	-2.0	-96.02	331.59	3.29	-92.73
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617216	0	37	-2.0	-101.49	336.89	3.27	-98.22
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017617217	0	42	-2.0	-95.75	382.84	4.30	-91.45
O=C([O-])CCOCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017617218	0	34	-2.0	-91.75	323.59	2.71	-89.04
O=C([O-])CCOCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017617218	1	33	-3.0	-159.87	328.85	2.60	-157.27
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017617219	0	40	-2.0	-107.88	356.59	4.09	-103.79
O=C([O-])CCOCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017617220	0	36	-2.0	-91.10	347.28	3.56	-87.54
COC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017617221	0	38	-2.0	-97.85	347.92	3.00	-94.85
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017617222	0	34	-2.0	-95.22	335.33	3.38	-91.84
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017617223	0	37	-2.0	-107.49	343.95	3.54	-103.95
CC1=CC(F)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017617224	0	37	-2.0	-97.39	333.39	3.18	-94.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1Cl	REAL300017617225	0	37	-2.0	-98.31	339.39	3.53	-94.78
CC1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017617226	0	37	-2.0	-104.37	350.34	3.84	-100.53
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617227	0	37	-2.0	-97.14	344.89	4.16	-92.98
COC1=CC(Cl)=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017617228	0	38	-2.0	-103.19	348.00	3.01	-100.18
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017617229	0	36	-2.0	-94.94	336.53	4.38	-90.56
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017617230	0	31	-2.0	-94.99	311.35	2.02	-92.97
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017617231	0	37	-2.0	-101.37	341.27	3.66	-97.71
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017617232	0	36	-2.0	-113.04	345.67	3.98	-109.06
CC1=CC(C)=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017617233	0	46	-2.0	-99.69	376.50	5.40	-94.29
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017617234	0	36	-2.0	-114.21	342.56	4.69	-109.52
CC(C)(C)C1=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017617235	0	43	-2.0	-104.02	368.56	4.69	-99.33
CC1=C(Cl)C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017617236	0	37	-2.0	-94.55	352.84	3.95	-90.60
CC1=C(F)C=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C1C(=O)[O-]	REAL300017617237	0	37	-2.0	-93.93	344.03	3.56	-90.37
O=C([O-])CCOCCNS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017617238	0	40	-2.0	-104.05	360.14	5.02	-99.03
COC(=O)C1=COC(S(=O)(=O)[N-]CCOCCC(=O)[O-])=C1	REAL300017617245	1	34	-2.0	-99.85	328.51	0.66	-99.19
COC(=O)C1=C(S(=O)(=O)[N-]CCOCCC(=O)[O-])SC=N1	REAL300017617277	0	33	-2.0	-104.20	328.81	-0.33	-104.53
O=C([O-])CCOCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017617287	1	31	-2.0	-104.96	304.68	2.72	-102.24
O=C([O-])CCOCC[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017617292	1	30	-2.0	-98.64	307.61	1.36	-97.28
CC1=NC(S(=O)(=O)[N-]CCOCCC(=O)[O-])=C(Br)N1C	REAL300017617324	1	34	-2.0	-108.14	329.24	1.37	-106.77
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCOCCC(=O)[O-])=N1	REAL300017617346	0	33	-2.0	-112.70	316.98	0.83	-111.87
O=C([O-])CCOCCNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017617355	0	34	-2.0	-92.43	328.04	2.72	-89.71
O=C([O-])CCOCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017617355	1	33	-3.0	-156.71	333.25	2.62	-154.09
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NCCOCCC(=O)[O-])=C1OC	REAL300017617357	0	45	-2.0	-97.04	398.62	3.47	-93.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617358	0	38	-2.0	-96.92	339.52	2.71	-94.21
O=C([O-])CCOCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017617359	0	34	-2.0	-101.53	315.44	2.61	-98.92
O=C([O-])CCOCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017617374	0	36	-3.0	-168.67	347.50	3.45	-165.22
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCCOCCC(=O)[O-])=C1	REAL300017617375	0	38	-2.0	-99.72	340.26	1.88	-97.84
O=C([O-])CCOCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017617376	0	34	-3.0	-165.05	317.50	1.50	-163.55
O=C([O-])CCOCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017617376	1	35	-2.0	-97.32	328.43	0.62	-96.70
O=C([O-])CCOCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017617377	0	33	-2.0	-96.70	312.55	1.22	-95.48
CC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C(C(=O)[O-])=NN1	REAL300017617378	0	34	-2.0	-103.71	310.08	0.71	-103.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCCOCCC(=O)[O-]	REAL300017617379	0	37	-2.0	-99.61	338.23	3.82	-95.79
O=C([O-])CCOCCNS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017617380	0	31	-2.0	-94.68	310.57	1.49	-93.19
O=C([O-])CCOCC[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017617383	0	28	-2.0	-98.75	290.39	0.60	-98.15
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCOCCC(=O)[O-]	REAL300017617393	1	35	-2.0	-103.54	325.05	2.60	-100.94
O=C([O-])CCOCC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017617421	1	34	-2.0	-107.33	318.06	1.15	-106.18
O=C([O-])CCOCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017617423	0	32	-2.0	-84.71	321.86	1.98	-82.73
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017617484	0	34	-2.0	-102.50	320.00	2.64	-99.86
O=C([O-])CCOCCNS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017617485	0	34	-2.0	-95.23	329.91	2.98	-92.25
O=C([O-])CCOCC[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017617494	0	31	-2.0	-99.13	318.44	2.83	-96.30
O=C([O-])CCOCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017617495	1	33	-2.0	-97.28	329.64	1.20	-96.08
O=C([O-])CCOCC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017617501	1	31	-2.0	-97.36	316.17	2.53	-94.83
CCOC(=O)C1=CC(S(=O)(=O)NCCOCCC(=O)[O-])=N[N-]1	REAL300017617514	1	37	-2.0	-90.54	345.44	0.04	-90.50
O=C([O-])CCOCC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017617533	1	28	-2.0	-90.55	313.71	2.03	-88.52
O=C([O-])CCOCCNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017617593	0	41	-2.0	-104.28	364.53	4.77	-99.51
O=C([O-])CCOCC[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017617597	1	38	-2.0	-101.90	356.57	2.98	-98.92
CCC1=C(S(=O)(=O)NCCOCCC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017617606	0	37	-2.0	-97.10	343.42	2.81	-94.29
CCN1C=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017617613	0	44	-2.0	-110.78	392.59	6.27	-104.51
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(=O)[O-]	REAL300017617616	0	40	-2.0	-102.23	377.90	6.65	-95.58
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017617617	0	40	-2.0	-105.51	376.73	6.49	-99.02
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017617618	0	40	-2.0	-115.10	362.47	6.03	-109.07
CC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017617619	0	43	-2.0	-116.10	378.48	6.57	-109.53
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(=O)[O-]	REAL300017617620	0	40	-2.0	-104.06	362.46	6.04	-98.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1C	REAL300017617621	0	46	-2.0	-111.25	391.38	7.38	-103.87
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(=O)[O-]	REAL300017617622	0	40	-2.0	-100.76	379.15	6.01	-94.75
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617623	0	43	-2.0	-110.68	376.34	6.91	-103.77
CC(C)(C)SC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(=O)[O-]	REAL300017617624	0	37	-2.0	-104.80	355.66	5.10	-99.70
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617625	0	46	-2.0	-110.06	392.99	7.75	-102.31
CN1C=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017617626	0	41	-2.0	-109.37	371.22	5.40	-103.97
CC1=C(C(=O)[O-])SC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C1	REAL300017617627	0	40	-2.0	-107.91	373.68	5.75	-102.16
CC1=C(C(=O)[O-])C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=C(C)O1	REAL300017617628	0	43	-2.0	-124.66	374.53	6.35	-118.31
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617629	0	43	-2.0	-111.10	370.96	6.77	-104.33
CCC1=CC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017617630	0	46	-2.0	-118.94	398.80	7.24	-111.70
CC1=CC(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])=CC=C1C(=O)[O-]	REAL300017617631	0	43	-2.0	-103.90	380.22	6.65	-97.25
CN1C=C(S(=O)(=O)[N-][C@@H](CSC(C)(C)C)C(=O)[O-])C(=O)N(C)C1=O	REAL300017617639	1	43	-2.0	-133.85	373.21	4.86	-128.99
CN1C=C(S(=O)(=O)[N-][C@@H](CSC(C)(C)C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300017617671	1	40	-2.0	-133.52	366.51	4.55	-128.97
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=C(F)C=CS1)C(=O)[O-]	REAL300017617673	1	34	-2.0	-135.11	331.86	4.25	-130.86
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300017617694	1	37	-2.0	-131.03	346.63	5.97	-125.06
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017617698	0	37	-2.0	-143.82	341.55	5.50	-138.32
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300017617718	1	37	-2.0	-137.11	340.46	5.91	-131.20
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017617732	1	40	-2.0	-132.70	364.74	6.24	-126.46
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=CNN=C1Cl)C(=O)[O-]	REAL300017617736	1	34	-2.0	-126.98	331.78	2.00	-124.98
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300017617738	1	34	-2.0	-135.66	336.53	5.27	-130.39
CC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CSC(C)(C)C)C(=O)[O-])C(F)=C1	REAL300017617752	1	40	-2.0	-142.93	363.58	6.15	-136.78
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017617758	1	37	-2.0	-135.94	348.85	6.43	-129.51
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])S1	REAL300017617762	1	40	-2.0	-106.63	377.76	1.86	-104.77
CC1=C(S(=O)(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017617765	0	40	-2.0	-109.03	370.35	5.93	-103.10
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017617778	1	34	-2.0	-123.18	355.90	5.37	-117.81
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617785	1	43	-2.0	-147.51	386.54	3.78	-143.73
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017617806	1	39	-2.0	-134.39	364.75	7.52	-126.87
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H](CSC(C)(C)C)C(=O)[O-]	REAL300017617815	1	41	-2.0	-136.93	364.27	6.10	-130.83
CC1=C(S(=O)(=O)[N-][C@@H](CSC(C)(C)C)C(=O)[O-])C(N)=NO1	REAL300017617830	1	38	-2.0	-120.34	333.06	3.21	-117.13
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017617835	0	37	-2.0	-136.28	356.03	6.04	-130.24
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017617850	0	37	-2.0	-133.30	349.64	6.17	-127.13
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017617884	1	37	-2.0	-126.50	346.76	5.96	-120.54
CC(C)(C)SC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017617893	0	37	-2.0	-131.26	348.57	5.54	-125.72
CN1C=NC(S(=O)(=O)[N-][C@@H](CSC(C)(C)C)C(=O)[O-])=C1Cl	REAL300017617910	1	37	-2.0	-141.08	344.10	5.40	-135.68
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H](CSC(C)(C)C)C(=O)[O-])O1	REAL300017617950	1	43	-2.0	-128.49	391.10	4.56	-123.93
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CSC(C)(C)C)C(=O)[O-])O1	REAL300017617998	1	40	-2.0	-129.36	368.10	4.58	-124.78
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)C=C1Br	REAL300017619619	1	32	-2.0	-115.51	309.33	5.95	-109.56
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)=C1F	REAL300017619625	1	37	-2.0	-125.73	336.44	5.99	-119.74
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)O1	REAL300017619648	1	37	-2.0	-119.88	323.99	4.33	-115.55
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)=C1F	REAL300017619666	1	37	-2.0	-125.58	326.12	5.55	-120.03
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)O1	REAL300017619738	1	34	-2.0	-114.74	315.58	3.12	-111.62
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1CC1	REAL300017619740	0	33	-2.0	-149.28	295.58	6.96	-142.32
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C1CC1	REAL300017619743	1	31	-2.0	-128.53	295.67	5.26	-123.27
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C1CC1	REAL300017619751	0	33	-2.0	-131.51	314.48	8.03	-123.48
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)O1	REAL300017619764	1	37	-2.0	-115.00	337.44	4.05	-110.95
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C1CC1	REAL300017619769	1	34	-2.0	-129.17	297.03	6.65	-122.52
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C1CC1	REAL300017619770	1	33	-2.0	-127.18	306.27	7.01	-120.17
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C1CC1	REAL300017619773	1	28	-2.0	-119.36	288.34	3.90	-115.46
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C1CC1	REAL300017619778	1	30	-2.0	-114.96	301.09	4.55	-110.41
CCN1C=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300017619782	1	36	-2.0	-133.98	324.40	5.81	-128.17
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C1CC1	REAL300017619783	1	33	-2.0	-124.65	309.45	5.71	-118.94
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C1CC1	REAL300017619786	1	33	-2.0	-124.17	300.79	6.81	-117.36
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017619788	1	39	-2.0	-99.37	341.34	1.88	-97.49
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1CC1	REAL300017619806	1	33	-2.0	-143.33	300.53	7.59	-135.74
CCCCCCN1C=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)C(=O)NC1=O	REAL300017619828	1	49	-2.0	-119.84	398.59	5.59	-114.25
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C1CC1	REAL300017619834	1	28	-2.0	-114.94	280.42	3.06	-111.88
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C1CC1	REAL300017619836	1	28	-2.0	-114.29	303.51	4.59	-109.70
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017619851	0	32	-2.0	-123.94	293.97	5.56	-118.38
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C1CC1	REAL300017619870	1	30	-2.0	-111.67	297.06	4.42	-107.25
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C1CC1	REAL300017619896	1	31	-2.0	-116.70	306.82	6.35	-110.35
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017619924	1	35	-2.0	-132.08	302.68	4.46	-127.62
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C1CC1	REAL300017619939	1	31	-2.0	-122.35	287.83	4.45	-117.90
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619956	0	37	-2.0	-100.28	325.26	5.62	-94.66
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C1CC1	REAL300017619957	0	34	-2.0	-104.52	325.21	5.33	-99.19
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1	REAL300017619958	0	41	-2.0	-93.88	364.12	3.37	-90.51
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619959	0	42	-2.0	-111.20	371.97	6.24	-104.96
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619960	0	41	-2.0	-111.16	360.41	5.58	-105.58
COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1CC(=O)[O-]	REAL300017619961	0	41	-2.0	-105.51	347.95	5.33	-100.18
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017619962	0	40	-2.0	-103.92	335.70	6.00	-97.92
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619963	0	38	-2.0	-103.90	328.85	3.63	-100.27
COC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC(C(=O)[O-])=C1OC	REAL300017619964	0	42	-2.0	-112.29	366.99	4.62	-107.67
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C1CC1	REAL300017619965	0	45	-2.0	-96.74	384.24	5.82	-90.92
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017619966	0	41	-2.0	-123.44	358.10	5.82	-117.62
O=C([O-])C[C@@H](NS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C1CC1	REAL300017619967	0	31	-2.0	-105.66	301.46	5.31	-100.35
O=C([O-])C[C@@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1CC1	REAL300017619968	0	31	-2.0	-112.98	292.11	3.97	-109.01
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C(C(=O)[O-])O1	REAL300017619969	0	34	-2.0	-105.67	309.94	3.82	-101.85
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C1CC1	REAL300017619970	0	40	-2.0	-121.95	339.63	4.98	-116.97
O=C([O-])CCCOC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1F	REAL300017619971	0	44	-2.0	-97.90	377.21	6.46	-91.44
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1Cl	REAL300017619972	0	38	-2.0	-99.64	356.08	5.65	-93.99
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1OCC(=O)[O-]	REAL300017619973	0	41	-2.0	-100.65	359.85	5.81	-94.84
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1OCCCC(=O)[O-]	REAL300017619974	0	47	-2.0	-96.37	391.08	7.12	-89.25
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C1CC1	REAL300017619975	0	34	-2.0	-100.96	336.37	5.65	-95.31
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C1CC1	REAL300017619976	0	34	-2.0	-103.81	327.00	6.30	-97.51
O=C([O-])C[C@@H](NS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C1CC1	REAL300017619977	0	31	-2.0	-100.31	304.01	4.70	-95.61
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C(C)=C1C(=O)[O-]	REAL300017619978	0	40	-2.0	-122.59	338.99	6.20	-116.39
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619979	0	37	-2.0	-105.02	315.79	5.45	-99.57
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C1CC1	REAL300017619980	0	34	-2.0	-109.56	321.52	5.52	-104.04
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C1CC1	REAL300017619981	0	34	-2.0	-108.67	306.64	4.98	-103.69
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1CC1	REAL300017619982	0	34	-2.0	-95.78	304.13	5.98	-89.80
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C1CC1	REAL300017619983	0	34	-2.0	-108.62	301.98	5.24	-103.38
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619984	0	37	-2.0	-100.09	334.26	6.02	-94.07
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C1CC1	REAL300017619985	0	34	-2.0	-103.13	329.40	5.34	-97.79
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C1CC1	REAL300017619986	0	34	-2.0	-100.67	327.05	5.26	-95.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1F	REAL300017619987	0	37	-2.0	-110.53	319.66	6.22	-104.31
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300017626423	1	35	-2.0	-127.54	321.78	1.46	-126.08
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017626435	1	30	-2.0	-115.34	309.04	0.98	-114.36
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017626439	1	31	-2.0	-131.32	296.12	1.96	-129.36
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300017626456	0	37	-2.0	-104.69	331.18	4.14	-100.55
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017626457	0	34	-2.0	-114.61	326.39	3.01	-111.60
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017626458	0	41	-2.0	-94.64	366.27	1.06	-93.58
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300017626459	0	42	-2.0	-106.75	363.40	3.96	-102.79
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300017626460	0	41	-2.0	-106.57	354.25	3.42	-103.15
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300017626461	0	41	-2.0	-126.96	360.64	2.64	-124.32
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300017626462	0	40	-2.0	-114.43	341.81	4.69	-109.74
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300017626463	0	38	-2.0	-114.98	334.71	2.13	-112.85
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300017626464	0	42	-2.0	-119.98	368.08	2.30	-117.68
CCOC1=CC=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017626465	0	41	-2.0	-126.03	359.27	3.50	-122.53
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017626466	0	31	-2.0	-103.78	302.04	1.58	-102.20
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300017626467	0	34	-2.0	-105.69	314.41	2.48	-103.21
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017626468	0	40	-2.0	-121.70	351.92	2.27	-119.43
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017626469	0	44	-2.0	-96.53	389.88	3.76	-92.77
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017626470	0	38	-2.0	-98.40	357.24	3.33	-95.07
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300017626471	0	41	-2.0	-101.14	361.31	3.47	-97.67
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300017626472	0	47	-2.0	-97.76	403.81	4.41	-93.35
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017626473	0	34	-2.0	-107.41	337.44	3.33	-104.08
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017626474	0	34	-2.0	-98.75	340.62	3.69	-95.06
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300017626475	0	40	-2.0	-104.44	345.02	4.70	-99.74
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300017626476	0	37	-2.0	-99.08	326.00	4.10	-94.98
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017626477	0	34	-2.0	-102.09	331.07	3.08	-99.01
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017626478	0	34	-2.0	-101.55	316.18	2.54	-99.01
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017626479	0	34	-2.0	-95.10	323.78	3.90	-91.20
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017626480	0	34	-2.0	-105.55	314.65	2.55	-103.00
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300017626481	0	37	-2.0	-106.07	339.98	4.53	-101.54
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017626482	0	34	-2.0	-109.77	330.47	3.01	-106.76
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017626483	0	34	-2.0	-106.77	328.12	2.92	-103.85
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300017626484	0	37	-2.0	-107.34	328.89	3.11	-104.23
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017626507	1	34	-2.0	-130.64	313.60	2.28	-128.36
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017626552	0	34	-2.0	-101.04	338.16	3.55	-97.49
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300017626553	0	38	-2.0	-114.49	331.97	2.66	-111.83
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017626554	0	35	-2.0	-106.83	318.93	0.57	-106.26
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017626555	0	38	-2.0	-100.36	341.25	3.78	-96.58
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017626556	0	34	-2.0	-107.25	327.12	4.14	-103.11
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017626557	0	40	-2.0	-98.15	353.74	4.07	-94.08
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017626558	0	34	-2.0	-105.68	309.01	2.42	-103.26
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017626559	0	37	-2.0	-100.33	332.34	3.27	-97.06
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300017626560	0	38	-2.0	-110.90	337.48	2.57	-108.33
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017626561	0	38	-2.0	-100.31	340.89	2.76	-97.55
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017626562	0	38	-2.0	-99.90	347.44	2.86	-97.04
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017626563	0	34	-2.0	-95.37	316.51	3.38	-91.99
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017626564	0	34	-2.0	-102.87	322.62	2.91	-99.96
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300017626565	0	37	-2.0	-112.87	328.58	3.06	-109.81
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017626566	0	42	-2.0	-96.31	373.89	3.90	-92.41
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017626567	0	34	-2.0	-100.04	314.92	2.53	-97.51
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017626567	1	33	-3.0	-186.03	324.21	2.53	-183.50
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300017626568	0	40	-2.0	-108.75	346.60	3.70	-105.05
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017626569	0	36	-2.0	-103.64	337.97	3.15	-100.49
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300017626570	0	38	-2.0	-99.21	351.02	4.01	-95.20
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017626571	0	34	-2.0	-102.30	326.36	3.01	-99.29
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300017626572	0	37	-2.0	-120.35	335.02	3.15	-117.20
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300017626573	0	37	-2.0	-106.68	324.78	3.04	-103.64
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300017626574	0	37	-2.0	-105.89	344.10	3.82	-102.07
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300017626575	0	37	-2.0	-117.28	341.41	3.46	-113.82
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300017626576	0	37	-2.0	-95.49	336.67	4.55	-90.94
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300017626577	0	38	-2.0	-112.66	351.15	3.98	-108.68
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017626578	0	36	-2.0	-104.19	319.07	4.16	-100.03
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017626579	0	31	-2.0	-103.62	301.76	1.73	-101.89
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017626580	0	37	-2.0	-107.05	332.33	3.30	-103.75
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017626581	0	36	-2.0	-108.40	336.47	3.57	-104.83
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300017626582	0	46	-2.0	-110.88	370.91	5.22	-105.66
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017626583	0	36	-2.0	-109.87	334.36	5.26	-104.61
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017626584	0	43	-2.0	-125.89	353.12	4.54	-121.35
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300017626585	0	37	-2.0	-112.38	338.83	3.43	-108.95
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300017626586	0	37	-2.0	-111.24	330.12	3.07	-108.17
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017626587	0	40	-2.0	-111.94	351.10	4.61	-107.33
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300017626594	1	34	-2.0	-116.11	318.67	0.39	-115.72
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1	REAL300017626626	0	33	-2.0	-124.85	323.03	-0.36	-125.21
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017626636	1	31	-2.0	-130.35	300.33	2.63	-127.72
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017626641	1	30	-2.0	-119.89	303.00	1.27	-118.62
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300017626673	1	34	-2.0	-135.81	324.44	1.33	-134.48
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300017626695	0	33	-2.0	-137.77	312.20	0.79	-136.98
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017626704	0	34	-2.0	-99.86	319.30	2.55	-97.31
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017626704	1	33	-3.0	-181.39	328.95	2.54	-178.85
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC	REAL300017626706	0	45	-2.0	-105.53	381.66	3.34	-102.19
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300017626707	0	38	-2.0	-107.18	331.72	2.66	-104.52
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017626708	0	34	-2.0	-111.71	307.19	2.40	-109.31
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017626723	0	36	-3.0	-193.98	338.53	3.08	-190.90
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300017626724	0	38	-2.0	-111.60	332.55	1.81	-109.79
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017626725	0	34	-3.0	-193.87	309.92	1.57	-192.30
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017626725	1	35	-2.0	-112.34	320.82	1.18	-111.16
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017626726	0	33	-2.0	-105.04	306.31	1.28	-103.76
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)NN=C1C(=O)[O-]	REAL300017626727	0	34	-2.0	-131.18	303.69	0.32	-130.86
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300017626728	0	37	-2.0	-112.75	330.46	4.12	-108.63
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017626729	0	31	-2.0	-105.47	302.71	1.32	-104.15
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017626732	0	28	-2.0	-122.12	287.95	0.48	-121.64
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300017626742	1	35	-2.0	-127.51	320.73	2.49	-125.02
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017626770	1	34	-2.0	-132.69	313.23	1.09	-131.60
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017626772	0	32	-2.0	-98.02	313.98	2.03	-95.99
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017626833	0	34	-2.0	-112.06	311.55	2.43	-109.63
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017626834	0	34	-2.0	-109.32	320.58	2.57	-106.75
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017626843	0	31	-2.0	-122.83	313.61	2.79	-120.04
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017626844	1	33	-2.0	-120.66	324.98	1.10	-119.56
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017626850	1	31	-2.0	-121.27	311.85	2.45	-118.82
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=C1	REAL300017626863	1	37	-2.0	-108.35	333.29	0.17	-108.18
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])=N[N-]1	REAL300017626863	1	37	-2.0	-108.23	333.29	0.15	-108.08
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017626882	1	28	-2.0	-112.06	308.65	2.00	-110.06
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017626942	0	41	-2.0	-122.72	355.65	4.37	-118.35
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017626946	1	38	-2.0	-126.95	352.19	2.90	-124.05
CCC1=C(S(=O)(=O)N[C@@H](COC)CC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017626955	0	37	-2.0	-105.47	328.19	3.28	-102.19
CCN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017626961	0	38	-2.0	-96.73	336.10	5.64	-91.09
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300017626962	0	43	-2.0	-113.58	350.49	7.21	-106.37
O=C([O-])C[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017626963	0	44	-2.0	-118.13	358.97	8.13	-110.00
O=C([O-])C[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017626964	0	41	-2.0	-116.39	345.86	7.41	-108.98
O=C([O-])C[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017626967	0	34	-2.0	-105.37	314.95	6.01	-99.36
O=C([O-])C[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017626968	0	34	-2.0	-93.67	320.36	5.82	-87.85
O=C([O-])C[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017626969	0	34	-2.0	-96.27	308.24	5.43	-90.84
CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017626970	0	37	-2.0	-122.44	328.02	6.06	-116.38
O=C([O-])C[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017626971	0	34	-2.0	-99.68	308.07	5.41	-94.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=C1C	REAL300017626972	0	40	-2.0	-116.50	333.20	6.73	-109.77
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])S1	REAL300017626973	0	34	-2.0	-101.01	323.98	5.41	-95.60
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300017626974	0	37	-2.0	-115.35	315.59	6.18	-109.17
O=C([O-])C[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017626975	0	31	-2.0	-104.54	302.03	4.68	-99.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300017626976	0	40	-2.0	-100.68	340.44	7.37	-93.31
CN1C=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017626977	0	35	-2.0	-97.02	315.98	4.77	-92.25
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=C1	REAL300017626978	0	34	-2.0	-104.85	318.30	5.13	-99.72
CC1=C(C(=O)[O-])C(S(=O)(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=C(C)O1	REAL300017626979	0	37	-2.0	-99.54	319.10	5.91	-93.63
O=C([O-])C[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017626980	0	34	-2.0	-104.47	319.52	6.04	-98.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1CC(=O)[O-]	REAL300017626981	0	37	-2.0	-94.64	310.88	6.07	-88.57
CCC1=CC=C(S(=O)(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017626982	0	40	-2.0	-120.70	341.98	6.63	-114.07
CC1=CC(S(=O)(=O)N2C[C@@H](F)C[C@H]2CC(=O)[O-])=CC=C1C(=O)[O-]	REAL300017626983	0	37	-2.0	-101.81	328.22	6.04	-95.77
O=C([O-])C[C@@H]1C[C@H](F)CN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017626984	0	37	-2.0	-95.58	338.19	6.21	-89.37
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300017635202	0	39	-2.0	-102.58	322.78	6.40	-96.18
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017635203	0	36	-2.0	-96.57	319.89	6.12	-90.45
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017635204	0	43	-2.0	-91.86	360.11	4.20	-87.66
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300017635205	0	44	-2.0	-105.84	364.64	7.09	-98.75
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300017635206	0	43	-2.0	-106.18	355.49	6.57	-99.61
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300017635207	0	43	-2.0	-101.41	354.22	5.76	-95.65
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300017635208	0	42	-2.0	-107.78	336.34	7.07	-100.71
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300017635209	0	40	-2.0	-112.48	325.93	4.37	-108.11
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300017635210	0	44	-2.0	-101.58	365.88	5.65	-95.93
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017635211	0	47	-2.0	-91.90	380.88	6.76	-85.14
CCOC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1C(=O)[O-]	REAL300017635212	0	43	-2.0	-106.58	353.17	6.68	-99.90
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017635213	0	33	-2.0	-101.75	301.58	4.96	-96.79
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300017635214	0	36	-2.0	-95.86	305.57	4.74	-91.12
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017635215	0	42	-2.0	-121.66	355.07	5.70	-115.96
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017635216	0	46	-2.0	-96.97	383.50	6.87	-90.10
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017635217	0	40	-2.0	-94.07	350.86	6.44	-87.63
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300017635218	0	43	-2.0	-95.32	354.89	6.61	-88.71
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300017635219	0	49	-2.0	-97.32	397.34	7.54	-89.78
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017635220	0	36	-2.0	-93.16	335.21	6.69	-86.47
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017635221	0	36	-2.0	-99.90	331.46	6.61	-93.29
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300017635222	0	42	-2.0	-113.73	335.31	6.93	-106.80
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300017635223	0	39	-2.0	-102.45	317.44	6.34	-96.11
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017635224	0	36	-2.0	-103.68	328.83	6.45	-97.23
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017635225	0	36	-2.0	-102.44	313.95	5.91	-96.53
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017635226	0	36	-2.0	-98.49	316.32	6.20	-92.29
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017635227	0	36	-2.0	-94.06	308.24	5.67	-88.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300017635228	0	39	-2.0	-104.55	330.90	6.69	-97.86
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017635229	0	36	-2.0	-98.17	333.59	6.46	-91.71
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017635230	0	36	-2.0	-95.77	331.24	6.37	-89.40
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300017635231	0	39	-2.0	-106.33	329.74	6.40	-99.93
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017635303	0	36	-2.0	-97.22	324.69	7.36	-89.86
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300017635304	0	40	-2.0	-111.49	333.92	5.80	-105.69
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017635305	0	37	-2.0	-101.08	312.53	3.67	-97.41
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017635306	0	40	-2.0	-96.75	335.11	6.91	-89.84
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017635307	0	36	-2.0	-95.20	313.54	6.70	-88.50
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017635308	0	42	-2.0	-95.99	347.45	7.22	-88.77
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017635309	0	36	-2.0	-98.76	300.73	5.58	-93.18
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017635310	0	39	-2.0	-97.78	326.05	6.41	-91.37
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300017635311	0	40	-2.0	-113.50	331.01	5.69	-107.81
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017635312	0	40	-2.0	-95.42	335.05	5.96	-89.46
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017635313	0	40	-2.0	-95.30	341.05	5.96	-89.34
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017635314	0	36	-2.0	-98.36	309.92	5.85	-92.51
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017635315	0	36	-2.0	-91.61	316.22	6.02	-85.59
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300017635316	0	39	-2.0	-112.38	329.54	6.48	-105.90
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017635317	0	44	-2.0	-95.99	367.77	7.09	-88.90
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017635318	0	36	-2.0	-97.58	316.32	5.90	-91.68
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300017635319	0	42	-2.0	-102.59	339.33	6.89	-95.70
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017635320	0	38	-2.0	-89.01	331.69	6.40	-82.61
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300017635321	0	40	-2.0	-108.99	339.39	7.02	-101.97
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017635322	0	36	-2.0	-91.03	319.96	6.11	-84.92
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300017635323	0	39	-2.0	-111.68	332.39	6.49	-105.19
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300017635324	0	39	-2.0	-99.00	316.83	6.11	-92.89
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300017635325	0	39	-2.0	-106.11	334.58	6.72	-99.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300017635326	0	39	-2.0	-109.38	338.78	6.80	-102.58
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300017635327	0	39	-2.0	-101.97	328.48	6.70	-95.27
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300017635328	0	40	-2.0	-105.59	339.29	7.05	-98.54
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017635329	0	40	-2.0	-98.74	348.62	6.32	-92.42
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017635330	0	38	-2.0	-91.28	324.17	7.48	-83.80
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017635331	0	33	-2.0	-103.30	302.27	5.12	-98.18
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017635332	0	39	-2.0	-98.51	329.03	6.79	-91.72
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017635333	0	38	-2.0	-102.05	329.81	6.74	-95.31
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300017635334	0	48	-2.0	-124.06	364.03	8.32	-115.74
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017635335	0	38	-2.0	-115.02	322.82	7.48	-107.54
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017635336	0	45	-2.0	-119.23	353.11	8.28	-110.95
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300017635337	0	39	-2.0	-99.71	347.27	7.12	-92.59
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300017635338	0	39	-2.0	-98.76	338.54	6.77	-91.99
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017635339	0	42	-2.0	-110.49	350.42	7.98	-102.51
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017635457	0	36	-2.0	-96.71	320.56	5.92	-90.79
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC	REAL300017635459	0	47	-2.0	-120.49	380.57	6.47	-114.02
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300017635460	0	40	-2.0	-103.05	332.12	5.83	-97.22
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017635461	0	36	-2.0	-126.10	298.31	6.27	-119.83
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017635476	0	38	-3.0	-171.35	335.96	6.39	-164.96
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O	REAL300017635477	0	40	-2.0	-108.07	330.47	5.10	-102.97
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017635478	0	36	-3.0	-200.26	300.82	5.97	-194.29
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017635478	1	37	-2.0	-106.61	313.91	3.78	-102.83
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017635479	0	35	-2.0	-110.92	301.26	4.55	-106.37
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)NN=C1C(=O)[O-]	REAL300017635480	0	36	-2.0	-111.78	298.76	3.61	-108.17
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C	REAL300017635481	0	39	-2.0	-108.78	322.24	6.42	-102.36
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017635482	0	33	-2.0	-95.00	302.24	4.79	-90.21
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017635522	0	40	-2.0	-103.92	347.51	6.18	-97.74
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017635529	0	34	-2.0	-100.95	313.98	5.00	-95.95
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017635588	0	36	-2.0	-111.28	303.42	5.58	-105.70
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017635589	0	36	-2.0	-97.54	323.71	6.02	-91.52
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=C1	REAL300017635619	1	39	-2.0	-103.50	331.23	3.93	-99.57
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(CC)C(=O)[O-])=N[N-]1	REAL300017635619	1	39	-2.0	-103.51	331.29	3.92	-99.59
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017635699	0	43	-2.0	-119.47	354.82	7.75	-111.72
CCC1=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017635712	0	39	-2.0	-113.08	318.53	5.51	-107.57
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=CC=C(F)C(Cl)=C1F	REAL300017635744	1	31	-2.0	-139.44	320.29	6.59	-132.85
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)C(N)=NO1	REAL300017635784	1	32	-2.0	-114.13	326.09	3.03	-111.10
CC(C(F)(F)F)S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C(Cl)=C1F	REAL300017635852	0	30	-2.0	-120.81	313.06	5.17	-115.64
N#CC1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)O1	REAL300017635902	1	29	-2.0	-121.02	317.65	4.81	-116.21
N#CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(Cl)=C2F)OC=C1	REAL300017635997	1	29	-2.0	-129.28	315.56	4.75	-124.53
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)C=C1Br	REAL300017643227	1	32	-2.0	-98.57	325.20	4.67	-93.90
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)=C1F	REAL300017643233	1	37	-2.0	-110.23	354.36	4.89	-105.34
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)O1	REAL300017643256	1	37	-2.0	-103.66	336.67	3.08	-100.58
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)=C1F	REAL300017643274	1	37	-2.0	-109.58	344.03	4.45	-105.13
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)O1	REAL300017643346	1	34	-2.0	-102.78	318.77	2.51	-100.27
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300017643348	0	33	-2.0	-120.50	305.25	5.45	-115.05
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300017643351	1	31	-2.0	-107.76	299.74	4.69	-103.07
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300017643359	0	33	-2.0	-106.76	329.63	6.46	-100.30
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)O1	REAL300017643372	1	37	-2.0	-103.02	340.64	3.44	-99.58
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300017643377	1	34	-2.0	-109.62	317.69	5.86	-103.76
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300017643378	1	33	-2.0	-108.37	321.62	5.97	-102.40
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300017643381	1	28	-2.0	-104.14	291.54	3.29	-100.85
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300017643386	1	30	-2.0	-100.15	308.84	3.03	-97.12
CCN1C=C(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300017643390	1	36	-2.0	-114.28	329.55	4.60	-109.68
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300017643391	1	33	-2.0	-116.85	312.62	5.12	-111.73
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300017643394	1	33	-2.0	-111.76	319.03	5.95	-105.81
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(F)=C1	REAL300017643396	1	39	-2.0	-93.94	349.94	0.66	-93.28
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300017643414	1	33	-2.0	-116.68	312.95	5.96	-110.72
CCCCCCN1C=C(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)C(=O)NC1=O	REAL300017643436	1	49	-2.0	-111.58	415.47	4.48	-107.10
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300017643442	1	28	-2.0	-102.27	283.61	2.44	-99.83
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300017643444	1	28	-2.0	-99.29	306.71	3.97	-95.32
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)C(F)=C1	REAL300017643459	0	32	-2.0	-104.17	308.52	4.39	-99.78
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300017643478	1	30	-2.0	-97.07	304.66	2.90	-94.17
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300017643504	1	31	-2.0	-100.76	314.40	4.85	-95.91
COC1=CC(F)=C(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)C(F)=C1	REAL300017643532	1	35	-2.0	-110.31	317.21	3.30	-107.01
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC=CC(F)=C2F)C1	REAL300017643547	1	31	-2.0	-111.04	291.02	3.84	-107.20
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643564	0	37	-2.0	-96.05	329.68	5.59	-90.46
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1Br	REAL300017643565	0	34	-2.0	-103.04	326.16	5.14	-97.90
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643566	0	41	-2.0	-95.07	366.38	3.24	-91.83
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643567	0	42	-2.0	-104.68	361.77	5.77	-98.91
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643568	0	41	-2.0	-105.84	352.61	5.25	-100.59
COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1CC(=O)[O-]	REAL300017643569	0	41	-2.0	-108.94	360.38	4.79	-104.15
CC1=CC(C)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017643570	0	40	-2.0	-101.63	340.80	6.10	-95.53
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643571	0	38	-2.0	-103.08	334.20	3.50	-99.58
COC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC(C(=O)[O-])=C1OC	REAL300017643572	0	42	-2.0	-107.38	368.22	4.46	-102.92
O=C([O-])C1CC(CNS(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C1	REAL300017643573	0	45	-2.0	-94.58	386.77	5.71	-88.87
CCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017643574	0	41	-2.0	-107.75	359.05	5.63	-102.12
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(Br)S1	REAL300017643575	0	31	-2.0	-96.01	307.91	3.95	-92.06
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CS1	REAL300017643576	0	31	-2.0	-99.81	301.58	3.68	-96.13
CC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017643577	0	34	-2.0	-99.56	314.60	3.76	-95.80
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC2=C1OCCO2	REAL300017643578	0	40	-2.0	-105.85	352.09	4.43	-101.42
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1F	REAL300017643579	0	44	-2.0	-101.05	389.66	5.91	-95.14
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Cl	REAL300017643580	0	38	-2.0	-98.45	357.02	5.48	-92.97
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1OCC(=O)[O-]	REAL300017643581	0	41	-2.0	-97.97	361.06	5.64	-92.33
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1OCCCC(=O)[O-]	REAL300017643582	0	47	-2.0	-98.72	403.51	6.57	-92.15
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC(Cl)=C1Cl	REAL300017643583	0	34	-2.0	-98.38	337.59	5.50	-92.88
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643584	0	34	-2.0	-93.45	326.65	5.18	-88.27
O=C([O-])C1=CC(Br)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643585	0	31	-2.0	-93.74	314.34	4.26	-89.48
CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C)=C1C(=O)[O-]	REAL300017643586	0	40	-2.0	-107.20	343.09	6.17	-101.03
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643587	0	37	-2.0	-98.17	325.41	5.45	-92.72
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643588	0	34	-2.0	-96.14	331.21	5.27	-90.87
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643589	0	34	-2.0	-95.70	316.32	4.72	-90.98
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(Cl)=C1	REAL300017643590	0	34	-2.0	-93.96	311.48	4.71	-89.25
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1F	REAL300017643591	0	34	-2.0	-100.39	314.45	4.69	-95.70
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643592	0	37	-2.0	-96.68	338.36	5.98	-90.70
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC(Cl)=C1F	REAL300017643593	0	34	-2.0	-100.97	330.62	5.18	-95.79
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC(F)=C1Cl	REAL300017643594	0	34	-2.0	-98.12	328.27	5.10	-93.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1F	REAL300017643595	0	37	-2.0	-98.90	328.41	5.04	-93.86
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300017643619	1	34	-2.0	-111.11	308.99	4.11	-107.00
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300017643666	0	34	-2.0	-95.68	324.00	5.09	-90.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643667	0	38	-2.0	-105.97	330.31	4.48	-101.49
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1O	REAL300017643668	0	35	-2.0	-107.45	318.71	2.70	-104.75
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643669	0	38	-2.0	-99.48	341.37	5.95	-93.53
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643670	0	34	-2.0	-96.20	326.31	5.41	-90.79
O=C([O-])CCC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643671	0	40	-2.0	-97.25	353.49	6.23	-91.02
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643672	0	34	-2.0	-98.56	308.13	4.41	-94.15
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643673	0	37	-2.0	-97.91	332.09	5.43	-92.48
COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017643674	0	38	-2.0	-107.18	337.20	4.72	-102.46
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643675	0	38	-2.0	-97.92	340.99	4.94	-92.98
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1F	REAL300017643676	0	38	-2.0	-100.42	347.21	5.00	-95.42
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(F)=C1	REAL300017643677	0	34	-2.0	-94.26	308.10	4.42	-89.84
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Cl	REAL300017643678	0	34	-2.0	-96.94	322.42	5.06	-91.88
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643679	0	37	-2.0	-104.10	327.74	5.04	-99.06
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1	REAL300017643680	0	42	-2.0	-97.95	373.65	6.07	-91.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643681	0	34	-2.0	-92.60	314.40	4.48	-88.12
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)=C1	REAL300017643681	1	33	-3.0	-167.10	319.45	4.40	-162.70
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC(C(=O)[O-])=C1C	REAL300017643682	0	40	-2.0	-103.53	346.74	5.82	-97.71
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643683	0	36	-2.0	-94.11	338.97	5.35	-88.76
COC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(Cl)C=C1C(=O)[O-]	REAL300017643684	0	38	-2.0	-98.74	338.73	4.77	-93.97
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1Br	REAL300017643685	0	34	-2.0	-96.12	326.15	5.15	-90.97
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC(C(=O)[O-])=C1F	REAL300017643686	0	37	-2.0	-107.60	334.75	5.30	-102.30
CC1=CC(F)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017643687	0	37	-2.0	-99.91	327.96	5.05	-94.86
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1Cl	REAL300017643688	0	37	-2.0	-99.04	330.21	5.30	-93.74
CC1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC(C(=O)[O-])=C1Cl	REAL300017643689	0	37	-2.0	-104.57	341.14	5.61	-98.96
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643690	0	37	-2.0	-97.39	336.54	5.84	-91.55
COC1=CC(Cl)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017643691	0	38	-2.0	-103.86	338.75	4.78	-99.08
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(OC(F)(F)F)=C1	REAL300017643692	0	38	-2.0	-94.43	346.83	4.98	-89.45
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300017643693	0	36	-2.0	-95.27	327.24	6.16	-89.11
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643694	0	31	-2.0	-96.44	302.17	3.78	-92.66
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643695	0	37	-2.0	-101.77	332.95	5.45	-96.32
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300017643696	0	36	-2.0	-112.74	336.47	5.74	-107.00
CC1=CC(C)=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C)=C1CC(=O)[O-]	REAL300017643697	0	46	-2.0	-101.26	370.72	7.33	-93.93
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300017643698	0	36	-2.0	-113.82	333.50	6.49	-107.33
CC(C)(C)C1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017643699	0	43	-2.0	-105.48	360.02	6.39	-99.09
CC1=C(Cl)C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017643700	0	37	-2.0	-99.20	339.78	5.62	-93.58
CC1=C(F)C=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017643701	0	37	-2.0	-98.57	331.08	5.23	-93.34
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300017643702	0	40	-2.0	-107.20	350.95	6.78	-100.42
COC(=O)C1=COC(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)=C1	REAL300017643709	1	34	-2.0	-106.46	319.11	2.46	-104.00
COC(=O)C1=C(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)SC=N1	REAL300017643741	0	33	-2.0	-110.27	314.40	2.04	-108.23
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300017643751	1	31	-2.0	-108.55	296.16	4.55	-104.00
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300017643756	1	30	-2.0	-104.75	298.19	3.16	-101.59
CC1=NC(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)=C(Br)N1C	REAL300017643788	1	34	-2.0	-117.42	320.94	3.09	-114.33
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)=N1	REAL300017643809	0	33	-2.0	-119.61	307.59	2.62	-116.99
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)=C1F	REAL300017643814	1	35	-2.0	-113.54	328.19	3.96	-109.58
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(F)C(F)=C1F	REAL300017643819	0	34	-2.0	-93.03	318.78	4.48	-88.55
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)=C(F)C(F)=C1F	REAL300017643819	1	33	-3.0	-163.57	323.86	4.41	-159.16
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1OC	REAL300017643821	0	45	-2.0	-103.21	379.58	5.20	-98.01
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643822	0	38	-2.0	-98.06	330.33	4.48	-93.58
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1F	REAL300017643823	0	34	-2.0	-104.19	306.30	4.37	-99.82
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643838	0	36	-3.0	-170.70	339.19	5.24	-165.46
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643839	0	38	-2.0	-102.12	331.07	3.64	-98.48
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643840	0	34	-3.0	-166.52	308.31	3.27	-163.25
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643840	1	35	-2.0	-100.05	319.28	2.40	-97.65
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643841	0	33	-2.0	-98.42	303.37	2.98	-95.44
CC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C(C(=O)[O-])=NN1	REAL300017643842	0	34	-2.0	-107.75	300.89	2.47	-105.28
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CC(C(=O)[O-])C1	REAL300017643843	0	37	-2.0	-102.40	329.96	5.48	-96.92
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C(Cl)O1	REAL300017643844	0	31	-2.0	-95.05	301.48	3.26	-91.79
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300017643847	0	28	-2.0	-105.36	283.34	2.31	-103.05
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1CC(C(=O)[O-])C1	REAL300017643859	1	35	-2.0	-110.37	315.69	4.38	-105.99
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)=C1	REAL300017643882	0	34	-2.0	-99.92	337.87	3.10	-96.82
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC=C1OC(F)(F)F	REAL300017643885	0	38	-2.0	-104.15	353.69	5.20	-98.95
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300017643890	1	34	-2.0	-113.99	308.67	2.94	-111.05
O=C([O-])C1CC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300017643892	0	32	-2.0	-93.61	313.60	3.78	-89.83
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1F	REAL300017643952	0	34	-2.0	-104.92	310.81	4.41	-100.51
O=C([O-])C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=CC(F)=C1F	REAL300017643953	0	34	-2.0	-100.89	320.73	4.75	-96.14
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300017643962	0	31	-2.0	-105.71	309.03	4.62	-101.09
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300017643963	1	33	-2.0	-102.86	320.24	2.99	-99.87
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC1CC(C(=O)[O-])C1	REAL300017643967	1	35	-2.0	-114.67	331.09	4.72	-109.95
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300017643970	1	31	-2.0	-103.11	306.77	4.32	-98.79
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=C1	REAL300017643983	1	37	-2.0	-93.02	338.13	1.75	-91.27
CCOC(=O)C1=CC(S(=O)(=O)NCC2CC(C(=O)[O-])C2)=N[N-]1	REAL300017643983	1	37	-2.0	-92.92	338.23	1.76	-91.16
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC1CC(C(=O)[O-])C1	REAL300017643994	1	35	-2.0	-109.73	329.88	4.96	-104.77
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)S1	REAL300017666770	1	35	-2.0	-87.69	331.10	1.19	-86.50
CC1=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C(C(=O)[O-])S1	REAL300017666772	0	35	-2.0	-95.91	317.74	4.95	-90.96
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300017692812	0	37	-2.0	-108.43	329.62	6.52	-101.91
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017692813	0	34	-2.0	-116.10	332.05	6.48	-109.62
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017692814	0	41	-2.0	-97.21	372.33	4.59	-92.62
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300017692815	0	42	-2.0	-110.19	371.86	7.25	-102.94
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300017692816	0	41	-2.0	-120.52	362.70	6.73	-113.79
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300017692817	0	41	-2.0	-124.91	366.26	6.12	-118.79
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300017692818	0	40	-2.0	-111.81	345.62	7.36	-104.45
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300017692819	0	38	-2.0	-99.57	333.31	4.51	-95.06
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300017692820	0	42	-2.0	-113.17	375.07	5.84	-107.33
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017692821	0	45	-2.0	-91.88	393.57	7.08	-84.80
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300017692822	0	41	-2.0	-127.38	364.92	6.98	-120.40
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017692823	0	31	-2.0	-92.95	319.90	5.60	-87.35
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017692824	0	31	-2.0	-96.61	308.61	5.07	-91.54
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300017692825	0	34	-2.0	-110.16	314.41	5.00	-105.16
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017692826	0	40	-2.0	-123.40	357.94	5.77	-117.63
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017692827	0	44	-2.0	-96.01	396.49	7.27	-88.74
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017692828	0	38	-2.0	-96.70	363.85	6.85	-89.85
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300017692829	0	41	-2.0	-99.03	366.94	6.98	-92.05
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300017692830	0	47	-2.0	-98.16	409.39	7.91	-90.25
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017692831	0	34	-2.0	-102.95	344.41	6.86	-96.09
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017692832	0	34	-2.0	-101.19	333.47	6.67	-94.52
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017692833	0	31	-2.0	-94.38	324.56	5.66	-88.72
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300017692834	0	40	-2.0	-110.13	343.70	7.11	-103.02
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300017692835	0	37	-2.0	-100.27	333.20	6.86	-93.41
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017692836	0	34	-2.0	-93.22	338.03	6.63	-86.59
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017692837	0	34	-2.0	-92.69	323.14	6.09	-86.60
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017692838	0	34	-2.0	-95.28	318.95	6.25	-89.03
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017692839	0	34	-2.0	-96.52	321.25	6.07	-90.45
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300017692840	0	37	-2.0	-109.59	338.33	6.90	-102.69
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017692841	0	34	-2.0	-105.06	337.45	6.55	-98.51
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017692842	0	34	-2.0	-102.09	335.09	6.46	-95.63
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300017692843	0	37	-2.0	-106.34	335.15	6.52	-99.82
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017692914	0	34	-2.0	-92.37	336.58	6.76	-85.61
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300017692915	0	38	-2.0	-100.54	340.39	5.94	-94.60
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017692916	0	35	-2.0	-121.32	324.58	4.05	-117.27
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017692917	0	38	-2.0	-101.88	347.32	7.30	-94.58
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017692918	0	34	-2.0	-94.36	323.96	6.33	-88.03
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017692919	0	40	-2.0	-97.65	359.45	7.59	-90.06
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017692920	0	34	-2.0	-96.32	318.25	5.98	-90.34
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017692921	0	37	-2.0	-99.14	338.05	6.78	-92.36
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300017692922	0	38	-2.0	-102.73	343.07	6.07	-96.66
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017692923	0	38	-2.0	-98.57	346.95	6.29	-92.28
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017692924	0	38	-2.0	-98.57	354.05	6.37	-92.20
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017692925	0	34	-2.0	-93.26	314.34	5.91	-87.35
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017692926	0	34	-2.0	-93.99	329.23	6.42	-87.57
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300017692927	0	37	-2.0	-98.18	334.58	6.52	-91.66
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017692928	0	42	-2.0	-96.33	380.48	7.44	-88.89
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017692929	0	34	-2.0	-97.44	321.15	5.94	-91.50
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300017692930	0	40	-2.0	-100.74	354.24	7.21	-93.53
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017692931	0	36	-2.0	-89.89	344.93	6.69	-83.20
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300017692932	0	38	-2.0	-102.21	356.58	6.77	-95.44
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017692933	0	34	-2.0	-93.37	332.96	6.52	-86.85
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300017692934	0	37	-2.0	-98.44	341.58	6.67	-91.77
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300017692935	0	37	-2.0	-96.33	334.30	6.51	-89.82
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300017692936	0	37	-2.0	-108.54	337.01	6.80	-101.74
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300017692937	0	37	-2.0	-96.15	347.98	6.98	-89.17
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300017692938	0	37	-2.0	-92.51	328.68	6.62	-85.89
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300017692939	0	38	-2.0	-99.84	348.55	6.32	-93.52
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017692940	0	38	-2.0	-95.79	356.92	6.46	-89.33
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017692941	0	36	-2.0	-93.48	335.88	7.76	-85.72
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017692942	0	31	-2.0	-99.15	309.39	5.16	-93.99
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017692943	0	37	-2.0	-110.13	337.97	6.77	-103.36
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017692944	0	36	-2.0	-125.86	342.36	7.08	-118.78
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300017692945	0	46	-2.0	-101.54	371.12	8.49	-93.05
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017692946	0	36	-2.0	-113.60	340.18	7.86	-105.74
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017692947	0	43	-2.0	-108.72	369.21	8.03	-100.69
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300017692948	0	37	-2.0	-106.19	350.48	7.08	-99.11
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300017692949	0	37	-2.0	-104.92	341.68	6.70	-98.22
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017692950	0	40	-2.0	-120.25	357.71	8.15	-112.10
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)C1	REAL300017747297	1	37	-2.0	-97.71	348.14	-0.23	-97.94
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)C1	REAL300017747464	0	35	-2.0	-91.44	313.85	3.80	-87.64
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C1	REAL300017747465	0	32	-2.0	-106.15	315.03	3.82	-102.33
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300017747466	0	39	-2.0	-95.36	357.08	2.04	-93.32
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747467	0	40	-2.0	-100.11	354.48	4.40	-95.71
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747468	0	39	-2.0	-100.94	345.25	3.86	-97.08
COC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1CC(=O)[O-]	REAL300017747469	0	39	-2.0	-105.69	349.26	3.47	-102.22
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2C)C1	REAL300017747470	0	38	-2.0	-110.53	326.11	4.53	-106.00
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(O)C=C2C)C1	REAL300017747471	0	36	-2.0	-110.58	319.57	2.07	-108.51
COC1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=CC(C(=O)[O-])=C1OC	REAL300017747472	0	40	-2.0	-114.10	357.10	3.15	-110.95
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C1	REAL300017747473	0	43	-2.0	-87.60	376.23	4.17	-83.43
CCOC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017747474	0	39	-2.0	-116.77	347.93	4.31	-112.46
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1	REAL300017747475	0	29	-2.0	-97.53	290.46	2.23	-95.30
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C1	REAL300017747476	0	32	-2.0	-103.70	303.03	2.59	-101.11
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C1	REAL300017747477	0	38	-2.0	-116.31	340.96	3.11	-113.20
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C1	REAL300017747478	0	42	-2.0	-96.24	378.54	4.59	-91.65
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300017747479	0	36	-2.0	-91.67	345.90	4.01	-87.66
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(C)=C2)C1	REAL300017747480	0	39	-2.0	-98.75	349.93	4.33	-94.42
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(C)=C2)C1	REAL300017747481	0	45	-2.0	-95.78	392.39	5.26	-90.52
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017747482	0	32	-2.0	-102.38	326.47	4.19	-98.19
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C1	REAL300017747483	0	32	-2.0	-96.55	324.80	4.30	-92.25
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2C)C1	REAL300017747484	0	38	-2.0	-105.19	328.17	4.59	-100.60
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2C)C1	REAL300017747485	0	35	-2.0	-91.42	308.18	3.70	-87.72
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300017747486	0	32	-2.0	-103.97	320.08	3.95	-100.02
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C1	REAL300017747487	0	32	-2.0	-103.19	305.20	3.40	-99.79
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300017747488	0	32	-2.0	-94.26	309.82	3.84	-90.42
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300017747489	0	32	-2.0	-104.67	303.32	3.38	-101.29
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C1	REAL300017747490	0	35	-2.0	-92.40	322.69	4.18	-88.22
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C1	REAL300017747491	0	32	-2.0	-104.67	319.50	3.87	-100.80
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017747492	0	32	-2.0	-101.81	317.15	3.78	-98.03
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)C1	REAL300017747493	0	35	-2.0	-92.73	323.59	3.76	-88.97
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C1	REAL300017747565	0	32	-2.0	-96.35	316.26	4.02	-92.33
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747566	0	36	-2.0	-105.88	322.93	3.11	-102.77
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)C1	REAL300017747567	0	33	-2.0	-111.77	307.59	1.38	-110.39
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300017747568	0	36	-2.0	-100.14	332.07	4.75	-95.39
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C1	REAL300017747569	0	32	-2.0	-98.66	306.06	3.74	-94.92
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300017747570	0	38	-2.0	-90.27	342.97	4.69	-85.58
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300017747571	0	32	-2.0	-99.77	300.79	3.28	-96.49
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300017747572	0	35	-2.0	-91.30	321.57	3.88	-87.42
COC1=CC=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017747573	0	36	-2.0	-116.32	326.07	3.40	-112.92
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300017747574	0	36	-2.0	-90.85	330.47	3.38	-87.47
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C1	REAL300017747575	0	36	-2.0	-93.27	336.10	3.54	-89.73
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300017747576	0	32	-2.0	-94.98	306.28	3.54	-91.44
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300017747577	0	32	-2.0	-101.47	311.30	3.74	-97.73
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)C1	REAL300017747578	0	35	-2.0	-105.62	322.90	3.76	-101.86
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C1	REAL300017747579	0	40	-2.0	-90.53	363.14	4.51	-86.02
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300017747580	0	32	-2.0	-95.51	312.35	3.59	-91.92
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=C(C)C(C(=O)[O-])=C2)C1	REAL300017747581	0	38	-2.0	-111.71	331.65	4.40	-107.31
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300017747582	0	34	-2.0	-99.31	326.98	4.00	-95.31
COC1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C(Cl)C=C1C(=O)[O-]	REAL300017747583	0	36	-2.0	-98.55	336.98	3.90	-94.65
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300017747584	0	32	-2.0	-100.70	315.03	3.83	-96.87
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)C1	REAL300017747585	0	35	-2.0	-100.92	323.64	3.84	-97.08
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)C1	REAL300017747586	0	35	-2.0	-100.16	316.73	3.82	-96.34
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)C1	REAL300017747587	0	35	-2.0	-92.67	325.11	4.05	-88.62
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017747588	0	35	-2.0	-98.32	330.03	4.15	-94.17
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)C1	REAL300017747589	0	35	-2.0	-91.19	319.68	4.16	-87.03
COC1=CC(Cl)=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017747590	0	36	-2.0	-104.74	331.08	3.70	-101.04
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C1	REAL300017747591	0	36	-2.0	-94.97	345.41	3.76	-91.21
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C1	REAL300017747592	0	34	-2.0	-85.06	315.15	5.19	-79.87
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300017747593	0	29	-2.0	-97.49	292.88	2.58	-94.91
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300017747594	0	35	-2.0	-96.85	320.98	3.96	-92.89
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C1	REAL300017747595	0	34	-2.0	-114.38	325.35	4.43	-109.95
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)C=C(C)C(CC(=O)[O-])=C2C)C1	REAL300017747596	0	44	-2.0	-101.56	361.20	6.05	-95.51
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C1	REAL300017747597	0	34	-2.0	-116.69	314.59	5.04	-111.65
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)C1	REAL300017747598	0	41	-2.0	-103.46	353.29	5.46	-98.00
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)C1	REAL300017747599	0	35	-2.0	-104.26	328.65	4.30	-99.96
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)C1	REAL300017747600	0	35	-2.0	-103.38	319.95	3.91	-99.47
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C1	REAL300017747601	0	38	-2.0	-106.94	339.84	5.32	-101.62
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C1	REAL300017747719	0	32	-2.0	-92.28	315.56	3.55	-88.73
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1OC	REAL300017747721	0	43	-2.0	-98.90	375.17	3.76	-95.14
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC(OC)(C(=O)[O-])C1	REAL300017747722	0	36	-2.0	-99.27	328.91	3.27	-96.00
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C1	REAL300017747723	0	32	-2.0	-107.50	304.48	3.48	-104.02
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C1	REAL300017747738	0	34	-3.0	-191.84	327.19	3.90	-187.94
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2O)C1	REAL300017747739	0	36	-2.0	-102.72	326.32	2.21	-100.51
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300017747740	0	32	-3.0	-194.16	301.04	1.90	-192.26
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C1	REAL300017747740	1	33	-2.0	-99.76	301.44	1.25	-98.51
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300017747741	0	31	-2.0	-91.51	296.39	1.19	-90.32
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(C)NN=C2C(=O)[O-])C1	REAL300017747742	0	32	-2.0	-118.87	293.40	1.28	-117.59
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)C1	REAL300017747743	0	35	-2.0	-104.57	308.81	3.83	-100.74
COC1(C(=O)[O-])CN(S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C1	REAL300017747744	0	29	-2.0	-100.20	294.47	2.16	-98.04
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300017747784	0	36	-2.0	-107.64	342.57	3.88	-103.76
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300017747791	0	30	-2.0	-98.80	311.04	2.53	-96.27
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)C1	REAL300017747850	0	32	-2.0	-120.01	303.42	3.28	-116.73
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C1	REAL300017747851	0	32	-2.0	-104.19	309.61	3.43	-100.76
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=C1	REAL300017747881	1	35	-2.0	-92.02	327.44	0.34	-91.68
CCOC(=O)C1=CC(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)=N[N-]1	REAL300017747881	1	35	-2.0	-92.01	327.54	0.34	-91.67
COC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C1	REAL300017747961	0	39	-2.0	-101.79	344.24	5.08	-96.71
CCC1=C(S(=O)(=O)N2CC(OC)(C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017747974	0	35	-2.0	-106.31	314.14	2.84	-103.47
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC)C(C(=O)[O-])=C2)CC1	REAL300017747981	0	48	-2.0	-103.78	391.49	7.89	-95.89
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300017747984	0	44	-2.0	-103.42	362.87	7.68	-95.74
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CC1	REAL300017747985	0	47	-2.0	-103.98	379.59	8.22	-95.76
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300017747986	0	44	-2.0	-96.69	362.83	7.68	-89.01
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)CC1	REAL300017747987	0	50	-2.0	-106.39	386.15	8.56	-97.83
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])S2)CC1	REAL300017747988	0	44	-2.0	-97.74	377.43	7.62	-90.12
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)CC1	REAL300017747989	0	47	-2.0	-105.39	369.24	8.05	-97.34
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300017747990	0	41	-2.0	-98.45	356.05	6.70	-91.75
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2CC)CC1	REAL300017747991	0	50	-2.0	-100.25	396.18	9.55	-90.70
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)CC1	REAL300017747992	0	45	-2.0	-102.26	369.50	7.03	-95.23
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)CC1	REAL300017747993	0	44	-2.0	-108.86	374.59	7.36	-101.50
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])CC1	REAL300017747994	0	47	-2.0	-110.54	374.26	7.96	-102.58
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)CC1	REAL300017747995	0	47	-2.0	-100.68	367.25	7.99	-92.69
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC)C(C(=O)[O-])=C2)CC1	REAL300017747996	0	50	-2.0	-103.40	396.79	8.86	-94.54
C=CCCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)CC1	REAL300017747997	0	47	-2.0	-96.64	379.57	8.22	-88.42
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC(Br)=C(C#N)C=C2F)C1	REAL300017769109	1	32	-2.0	-102.61	325.85	4.55	-98.06
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)=C1F	REAL300017769115	1	37	-2.0	-115.59	355.05	4.77	-110.82
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)O1	REAL300017769138	1	37	-2.0	-107.81	337.34	2.96	-104.85
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)=C1F	REAL300017769156	1	37	-2.0	-114.92	344.73	4.33	-110.59
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)O1	REAL300017769228	1	34	-2.0	-104.43	317.77	2.37	-102.06
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300017769230	0	33	-2.0	-138.56	302.07	5.55	-133.01
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300017769233	1	31	-2.0	-115.55	298.30	4.52	-111.03
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300017769241	0	33	-2.0	-105.88	324.75	6.76	-99.12
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)O1	REAL300017769254	1	37	-2.0	-104.65	339.63	3.30	-101.35
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300017769259	1	34	-2.0	-118.17	316.01	5.69	-112.48
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300017769260	1	33	-2.0	-117.83	320.03	5.78	-112.05
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300017769263	1	28	-2.0	-114.14	289.94	3.11	-111.03
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300017769268	1	30	-2.0	-106.55	307.25	2.86	-103.69
CCN1C=C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300017769272	1	36	-2.0	-120.02	330.23	4.47	-115.55
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300017769273	1	33	-2.0	-116.26	312.07	4.98	-111.28
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300017769276	1	33	-2.0	-120.96	317.47	5.75	-115.21
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)C1	REAL300017769278	1	39	-2.0	-113.24	348.37	0.41	-112.83
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300017769296	1	33	-2.0	-127.52	311.61	5.79	-121.73
CCCCCCN1C=C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)C(=O)NC1=O	REAL300017769318	1	49	-2.0	-117.45	416.11	4.36	-113.09
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300017769324	1	28	-2.0	-104.27	282.60	2.29	-101.98
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300017769326	1	28	-2.0	-103.27	307.38	3.84	-99.43
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(F)C=C(C#N)C=C2F)C1	REAL300017769341	0	32	-2.0	-112.69	306.90	4.22	-108.47
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300017769360	1	30	-2.0	-104.33	303.07	2.73	-101.60
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300017769386	1	31	-2.0	-105.19	315.07	4.72	-100.47
COC1=CC(F)=C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)C(F)=C1	REAL300017769414	1	35	-2.0	-119.03	315.59	3.13	-115.90
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C1	REAL300017769429	1	31	-2.0	-116.18	291.70	3.71	-112.47
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769446	0	37	-2.0	-115.56	328.39	5.34	-110.22
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)C1	REAL300017769447	0	34	-2.0	-97.44	324.90	4.90	-92.54
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300017769448	0	41	-2.0	-101.81	365.11	3.00	-98.81
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769449	0	42	-2.0	-115.02	368.75	5.46	-109.56
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769450	0	41	-2.0	-127.74	359.13	4.96	-122.78
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1CC(=O)[O-]	REAL300017769451	0	41	-2.0	-105.25	359.13	4.55	-100.70
CC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017769452	0	40	-2.0	-124.85	339.25	5.83	-119.02
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769453	0	38	-2.0	-124.74	332.18	3.35	-121.39
COC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC(C(=O)[O-])=C1OC	REAL300017769454	0	42	-2.0	-101.55	366.99	4.23	-97.32
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)C1	REAL300017769455	0	45	-2.0	-98.72	385.49	5.47	-93.25
CCOC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017769456	0	41	-2.0	-135.30	357.80	5.39	-129.91
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)C1	REAL300017769457	0	31	-2.0	-111.13	319.32	4.18	-106.95
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C1	REAL300017769458	0	31	-2.0	-98.42	297.79	3.75	-94.67
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017769459	0	34	-2.0	-97.41	297.46	3.01	-94.40
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)C1	REAL300017769460	0	40	-2.0	-107.07	350.82	4.19	-102.88
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)C1	REAL300017769461	0	44	-2.0	-100.69	388.40	5.67	-95.02
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300017769462	0	38	-2.0	-100.78	352.43	5.59	-95.19
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1OCC(=O)[O-]	REAL300017769463	0	41	-2.0	-102.27	359.81	5.41	-96.86
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC=C1OCCCC(=O)[O-]	REAL300017769464	0	47	-2.0	-102.34	402.25	6.34	-96.00
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017769465	0	34	-2.0	-117.45	336.33	5.27	-112.18
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)C1	REAL300017769466	0	34	-2.0	-108.07	337.26	5.43	-102.64
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)C1	REAL300017769467	0	31	-2.0	-102.91	314.50	3.81	-99.10
CC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1C(=O)[O-]	REAL300017769468	0	40	-2.0	-106.84	342.52	5.80	-101.04
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769469	0	37	-2.0	-108.18	324.08	5.23	-102.95
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300017769470	0	34	-2.0	-96.97	329.95	5.03	-91.94
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)C1	REAL300017769471	0	34	-2.0	-97.10	315.06	4.48	-92.62
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300017769472	0	34	-2.0	-100.76	321.71	4.99	-95.77
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300017769473	0	34	-2.0	-104.83	313.18	4.46	-100.37
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769474	0	37	-2.0	-116.80	337.10	5.72	-111.08
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)C1	REAL300017769475	0	34	-2.0	-119.95	329.36	4.95	-115.00
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017769476	0	34	-2.0	-116.62	327.01	4.86	-111.76
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1F	REAL300017769477	0	37	-2.0	-98.96	326.84	4.80	-94.16
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300017769501	1	34	-2.0	-115.43	309.66	3.99	-111.44
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)C1	REAL300017769548	0	34	-2.0	-111.13	334.62	5.37	-105.76
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769549	0	38	-2.0	-122.03	336.86	4.19	-117.84
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)C1	REAL300017769550	0	35	-2.0	-101.89	317.46	2.46	-99.43
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300017769551	0	38	-2.0	-106.53	340.10	5.71	-100.82
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)C1	REAL300017769552	0	34	-2.0	-114.13	325.13	5.16	-108.97
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300017769553	0	40	-2.0	-101.77	352.22	6.01	-95.76
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300017769554	0	34	-2.0	-98.49	306.50	4.16	-94.33
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300017769555	0	37	-2.0	-103.55	330.82	5.20	-98.35
COC1=CC=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017769556	0	38	-2.0	-134.70	335.94	4.48	-130.22
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300017769557	0	38	-2.0	-103.01	339.72	4.70	-98.31
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C1	REAL300017769558	0	38	-2.0	-103.16	342.63	5.12	-98.04
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300017769559	0	34	-2.0	-106.00	306.42	4.17	-101.83
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300017769560	0	34	-2.0	-102.29	321.15	4.82	-97.47
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769561	0	37	-2.0	-135.13	326.08	4.80	-130.33
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C1	REAL300017769562	0	42	-2.0	-103.43	372.40	5.83	-97.60
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300017769563	0	34	-2.0	-96.63	312.77	4.22	-92.41
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300017769563	1	33	-3.0	-172.34	318.44	4.25	-168.09
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC(C(=O)[O-])=C1C	REAL300017769564	0	40	-2.0	-131.64	345.45	5.58	-126.06
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300017769565	0	36	-2.0	-112.67	336.85	5.09	-107.58
COC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C(Cl)C=C1C(=O)[O-]	REAL300017769566	0	38	-2.0	-106.65	349.36	5.04	-101.61
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300017769567	0	34	-2.0	-101.67	324.89	4.91	-96.76
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC(C(=O)[O-])=C1F	REAL300017769568	0	37	-2.0	-101.01	333.50	5.07	-95.94
CC1=CC(F)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017769569	0	37	-2.0	-98.28	322.56	4.71	-93.57
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1Cl	REAL300017769570	0	37	-2.0	-115.36	340.83	5.55	-109.81
CC1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=CC(C(=O)[O-])=C1Cl	REAL300017769571	0	37	-2.0	-98.63	339.90	5.37	-93.26
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769572	0	37	-2.0	-98.36	334.65	5.67	-92.69
COC1=CC(Cl)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017769573	0	38	-2.0	-120.44	349.37	5.05	-115.39
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)C1	REAL300017769574	0	38	-2.0	-100.52	353.39	4.70	-95.82
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C1	REAL300017769575	0	36	-2.0	-96.14	325.92	5.91	-90.23
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1	REAL300017769576	0	31	-2.0	-95.98	302.31	3.55	-92.43
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300017769577	0	37	-2.0	-100.98	330.83	5.19	-95.79
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C1	REAL300017769578	0	36	-2.0	-134.38	335.23	5.50	-128.88
CC1=CC(C)=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C)=C1CC(=O)[O-]	REAL300017769579	0	46	-2.0	-130.04	369.64	7.16	-122.88
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C1	REAL300017769580	0	36	-2.0	-104.53	332.12	6.27	-98.26
CC(C)(C)C1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017769581	0	43	-2.0	-113.83	357.32	6.07	-107.76
CC1=C(Cl)C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017769582	0	37	-2.0	-119.02	338.53	5.38	-113.64
CC1=C(F)C=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017769583	0	37	-2.0	-117.94	329.84	4.99	-112.95
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C1	REAL300017769584	0	40	-2.0	-136.85	349.69	6.55	-130.30
COC(=O)C1=COC(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)=C1	REAL300017769591	1	34	-2.0	-105.05	313.80	2.76	-102.29
COC(=O)C1=C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)SC=N1	REAL300017769623	0	33	-2.0	-123.40	314.68	1.94	-121.46
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300017769633	1	31	-2.0	-116.10	294.72	4.38	-111.72
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300017769638	1	30	-2.0	-111.82	296.57	2.99	-108.83
CC1=NC(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)=C(Br)N1C	REAL300017769670	1	34	-2.0	-118.31	321.37	3.08	-115.23
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)=N1	REAL300017769691	0	33	-2.0	-124.17	308.26	2.50	-121.67
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)=C1F	REAL300017769696	1	35	-2.0	-120.68	326.56	3.79	-116.89
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C1	REAL300017769701	0	34	-2.0	-96.71	317.22	4.24	-92.47
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C1	REAL300017769701	1	33	-3.0	-165.94	324.50	4.29	-161.65
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1OC	REAL300017769703	0	45	-2.0	-126.22	386.91	4.98	-121.24
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769704	0	38	-2.0	-106.01	336.89	4.20	-101.81
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C1	REAL300017769705	0	34	-2.0	-135.00	304.72	4.13	-130.87
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C1	REAL300017769720	0	36	-3.0	-189.42	337.07	4.98	-184.44
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769721	0	38	-2.0	-104.39	337.32	3.54	-100.85
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300017769722	0	34	-3.0	-189.25	315.28	2.94	-186.31
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C1	REAL300017769722	1	35	-2.0	-119.20	318.04	2.16	-117.04
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1	REAL300017769723	0	33	-2.0	-99.54	300.35	2.84	-96.70
CC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C(C(=O)[O-])=NN1	REAL300017769724	0	34	-2.0	-103.78	300.32	2.30	-101.48
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(C)(C(=O)[O-])C1	REAL300017769725	0	37	-2.0	-124.67	327.94	5.34	-119.33
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C1	REAL300017769726	0	31	-2.0	-108.34	309.19	3.37	-104.97
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300017769729	0	28	-2.0	-104.74	278.02	2.62	-102.12
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1CC(C)(C(=O)[O-])C1	REAL300017769741	1	35	-2.0	-106.61	315.42	4.60	-102.01
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)=C1	REAL300017769764	0	34	-2.0	-103.84	338.53	2.97	-100.87
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300017769767	0	38	-2.0	-124.62	352.44	4.97	-119.65
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300017769772	1	34	-2.0	-117.83	308.10	2.79	-115.04
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300017769774	0	32	-2.0	-93.62	319.26	3.42	-90.20
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)C1	REAL300017769834	0	34	-2.0	-135.61	309.24	4.17	-131.44
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C1	REAL300017769835	0	34	-2.0	-119.31	319.48	4.51	-114.80
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300017769844	0	31	-2.0	-105.30	304.14	4.93	-100.37
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300017769845	1	33	-2.0	-107.14	318.65	2.83	-104.31
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C1CC(C)(C(=O)[O-])C1	REAL300017769849	1	35	-2.0	-122.63	329.46	4.56	-118.07
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300017769852	1	31	-2.0	-107.80	307.43	4.20	-103.60
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=C1	REAL300017769865	1	37	-2.0	-94.37	332.34	1.82	-92.55
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)=N[N-]1	REAL300017769865	1	37	-2.0	-94.31	332.44	1.83	-92.48
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C1CC(C)(C(=O)[O-])C1	REAL300017769876	1	35	-2.0	-117.12	328.24	4.80	-112.32
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300017769883	1	28	-2.0	-104.21	302.71	3.65	-100.56
CC1(C(=O)[O-])CC(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C1	REAL300017769942	0	41	-2.0	-106.56	354.11	6.30	-100.26
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C1	REAL300017769946	1	38	-2.0	-112.69	347.84	4.65	-108.04
CCC1=C(S(=O)(=O)NC2CC(C)(C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017769954	0	37	-2.0	-117.57	333.16	4.33	-113.24
CCN1C=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)C=C1C(=O)[O-]	REAL300017769959	0	37	-2.0	-101.94	346.29	4.00	-97.94
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=N1	REAL300017769960	0	42	-2.0	-103.22	372.14	5.89	-97.33
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)N=C1	REAL300017769961	0	43	-2.0	-103.89	373.85	6.48	-97.41
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)N=C1	REAL300017769962	0	40	-2.0	-104.73	361.19	5.69	-99.04
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)N=C1	REAL300017769965	0	33	-2.0	-96.21	319.88	3.85	-92.36
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)N=C1	REAL300017769966	0	33	-2.0	-99.18	330.78	4.18	-95.00
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)N=C1	REAL300017769967	0	33	-2.0	-102.24	318.29	3.79	-98.45
CC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)C=C1C(=O)[O-]	REAL300017769968	0	36	-2.0	-101.84	334.32	4.32	-97.52
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300017769969	0	33	-2.0	-96.73	318.25	3.79	-92.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)=C1C	REAL300017769970	0	39	-2.0	-104.45	349.90	5.22	-99.23
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)S1	REAL300017769971	0	33	-2.0	-96.14	332.86	3.73	-92.41
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=N1	REAL300017769972	0	36	-2.0	-103.45	333.79	4.59	-98.86
O=C([O-])C1=CSC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300017769973	0	30	-2.0	-97.97	311.47	2.81	-95.16
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=N1	REAL300017769974	0	39	-2.0	-103.35	349.95	5.58	-97.77
CN1C=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)C=C1C(=O)[O-]	REAL300017769975	0	34	-2.0	-101.21	324.93	3.13	-98.08
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300017769976	0	33	-2.0	-95.34	327.42	3.48	-91.86
CC1=C(C(=O)[O-])C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)=C(C)O1	REAL300017769977	0	36	-2.0	-105.31	332.69	4.17	-101.14
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)N=C1	REAL300017769978	0	33	-2.0	-96.23	324.39	3.87	-92.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=CC=C(C(=O)[O-])C=N1	REAL300017769979	0	36	-2.0	-97.90	328.00	4.45	-93.45
CCC1=CC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)C=C1C(=O)[O-]	REAL300017769980	0	39	-2.0	-100.98	352.51	4.97	-96.01
CC1=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=N2)=CC=C1C(=O)[O-]	REAL300017769981	0	36	-2.0	-95.86	334.30	4.33	-91.53
CN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=N2)C(=O)N(C)C1=O	REAL300017769989	1	36	-2.0	-106.46	334.16	1.87	-104.59
CO[C@@H](C[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017787276	1	29	-2.0	-106.87	312.44	2.53	-104.34
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])=C1F	REAL300017787280	1	34	-2.0	-117.76	341.61	2.75	-115.01
CO[C@@H](C[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300017787296	1	32	-2.0	-109.15	322.71	-0.96	-110.11
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])O1	REAL300017787303	1	34	-2.0	-110.19	323.91	0.94	-109.25
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])=C1F	REAL300017787320	1	34	-2.0	-117.21	331.29	2.31	-114.90
CO[C@@H](C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300017787366	1	28	-2.0	-107.97	300.05	3.09	-104.88
COC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])O1	REAL300017787396	1	31	-2.0	-109.33	306.01	0.37	-108.96
CO[C@@H](C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787397	0	30	-2.0	-132.85	288.95	3.29	-129.56
CO[C@@H](C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017787400	1	28	-2.0	-121.18	286.12	2.52	-118.66
CO[C@@H](C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787408	0	30	-2.0	-117.53	316.88	4.31	-113.22
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])O1	REAL300017787421	1	34	-2.0	-109.53	327.87	1.29	-108.24
CO[C@@H](C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017787425	1	31	-2.0	-120.46	304.90	3.73	-116.73
CO[C@@H](C[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787426	1	30	-2.0	-118.56	308.88	3.83	-114.73
CO[C@@H](C[N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017787429	1	25	-2.0	-114.31	278.78	1.15	-113.16
CO[C@@H](C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017787434	1	27	-2.0	-107.90	295.87	0.89	-107.01
CCN1C=C(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017787438	1	33	-2.0	-121.17	316.79	2.46	-118.71
CO[C@@H](C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787439	1	30	-2.0	-124.23	299.81	2.98	-121.25
CO[C@@H](C[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787442	1	30	-2.0	-122.01	306.08	3.79	-118.22
CO[C@@H](CNS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017787444	1	36	-2.0	-104.08	337.21	-1.49	-105.57
CO[C@@H](C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787463	1	30	-2.0	-128.96	296.31	3.82	-125.14
CCCCCCN1C=C(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])C(=O)NC1=O	REAL300017787485	1	46	-2.0	-117.89	402.46	2.34	-115.55
CO[C@@H](C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017787491	1	25	-2.0	-109.44	270.85	0.29	-109.15
CO[C@@H](C[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017787493	1	25	-2.0	-108.18	293.73	1.82	-106.36
CO[C@@H](C[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017787508	0	29	-2.0	-113.55	295.76	2.25	-111.30
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787524	0	43	-2.0	-111.69	380.09	-0.74	-112.43
CO[C@@H](C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017787526	1	27	-2.0	-105.36	291.91	0.77	-104.59
CO[C@@H](C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300017787550	1	28	-2.0	-109.35	308.09	2.71	-106.64
CO[C@@H](C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017787553	1	28	-2.0	-108.44	301.63	2.71	-105.73
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])C(F)=C1	REAL300017787584	1	32	-2.0	-120.04	304.23	1.16	-118.88
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C)C(=O)[O-]	REAL300017787616	0	34	-2.0	-103.83	316.95	3.46	-100.37
CO[C@@H](CNS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787617	0	31	-2.0	-110.10	313.42	3.00	-107.10
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017787618	0	38	-2.0	-96.10	353.41	1.09	-95.01
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787619	0	39	-2.0	-99.45	349.03	3.62	-95.83
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787620	0	38	-2.0	-100.89	339.87	3.11	-97.78
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1CC(=O)[O-]	REAL300017787621	0	38	-2.0	-105.37	347.64	2.64	-102.73
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017787622	0	37	-2.0	-111.62	327.75	3.95	-107.67
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C)C(=O)[O-]	REAL300017787623	0	35	-2.0	-112.67	321.46	1.37	-111.30
COC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017787624	0	39	-2.0	-114.71	355.27	2.31	-112.40
CO[C@@H](CNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)[O-]	REAL300017787625	0	42	-2.0	-94.59	374.01	3.58	-91.01
CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(=O)[O-]	REAL300017787626	0	38	-2.0	-106.17	346.31	3.49	-102.68
CO[C@@H](CNS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787627	0	28	-2.0	-93.37	295.01	1.80	-91.57
CO[C@@H](CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787628	0	28	-2.0	-109.56	288.82	1.54	-108.02
CO[C@@H](CNS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787629	0	31	-2.0	-106.81	301.91	1.61	-105.20
CO[C@@H](CNS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787630	0	37	-2.0	-105.48	339.35	2.29	-103.19
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017787631	0	41	-2.0	-98.27	376.91	3.76	-94.51
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017787632	0	35	-2.0	-97.19	344.27	3.34	-93.85
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017787633	0	41	-2.0	-97.50	386.72	4.25	-93.25
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017787634	0	38	-2.0	-98.64	348.10	3.49	-95.15
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017787635	0	44	-2.0	-98.31	390.54	4.42	-93.89
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787636	0	31	-2.0	-104.49	324.63	3.35	-101.14
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017787637	0	31	-2.0	-92.06	313.95	3.03	-89.03
CO[C@@H](CNS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017787638	0	28	-2.0	-96.35	305.47	2.05	-94.30
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017787639	0	37	-2.0	-104.63	330.35	4.04	-100.59
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)C(=O)[O-]	REAL300017787640	0	34	-2.0	-100.78	311.81	3.42	-97.36
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787641	0	31	-2.0	-95.32	318.24	3.11	-92.21
CO[C@@H](CNS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787642	0	31	-2.0	-95.04	303.36	2.57	-92.47
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017787643	0	34	-2.0	-95.62	327.64	3.87	-91.75
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017787644	0	31	-2.0	-97.87	298.74	2.56	-95.31
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017787645	0	31	-2.0	-102.02	301.71	2.55	-99.47
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C(=O)[O-]	REAL300017787646	0	34	-2.0	-104.83	325.65	3.84	-100.99
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787647	0	31	-2.0	-106.89	317.66	3.03	-103.86
CO[C@@H](CNS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787648	0	31	-2.0	-103.87	315.31	2.94	-100.93
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C(=O)[O-]	REAL300017787649	0	34	-2.0	-96.82	315.62	2.89	-93.93
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br)C(=O)[O-]	REAL300017787650	0	34	-2.0	-104.52	331.72	3.84	-100.68
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017787716	0	31	-2.0	-92.76	311.22	2.94	-89.82
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787717	0	35	-2.0	-99.69	317.57	2.34	-97.35
CO[C@@H](CNS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787718	0	32	-2.0	-101.77	305.98	0.56	-101.21
CO[C@@H](CNS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017787719	0	35	-2.0	-100.83	328.62	3.81	-97.02
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017787720	0	31	-2.0	-103.28	313.35	3.27	-100.01
CO[C@@H](CNS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017787721	0	37	-2.0	-97.29	340.72	4.10	-93.19
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017787722	0	31	-2.0	-96.31	295.17	2.26	-94.05
CO[C@@H](CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017787723	0	34	-2.0	-98.39	319.33	3.30	-95.09
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(=O)[O-]	REAL300017787724	0	35	-2.0	-119.97	324.46	2.58	-117.39
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017787725	0	35	-2.0	-98.29	328.24	2.80	-95.49
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017787726	0	35	-2.0	-98.61	334.47	2.86	-95.75
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)[O-]	REAL300017787727	0	31	-2.0	-99.27	295.36	2.27	-97.00
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017787728	0	31	-2.0	-98.51	309.67	2.92	-95.59
CO[C@@H](CNS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017787729	0	34	-2.0	-121.18	314.75	2.89	-118.29
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017787730	0	39	-2.0	-98.41	360.91	3.92	-94.49
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017787731	0	31	-2.0	-92.59	301.69	2.32	-90.27
CO[C@@H](C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017787731	1	30	-3.0	-173.79	306.69	2.25	-171.54
CO[C@@H](CNS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787732	0	37	-2.0	-102.65	334.67	3.71	-98.94
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017787733	0	33	-2.0	-92.46	325.14	3.17	-89.29
COC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017787734	0	35	-2.0	-102.79	325.99	2.62	-100.17
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017787735	0	31	-2.0	-96.43	313.39	3.01	-93.42
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787736	0	34	-2.0	-108.11	334.80	3.66	-104.45
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C)C(=O)[O-]	REAL300017787737	0	34	-2.0	-105.11	329.67	3.93	-101.18
CO[C@@H](CNS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787738	0	34	-2.0	-114.63	322.01	3.16	-111.47
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F)C(=O)[O-]	REAL300017787739	0	34	-2.0	-96.26	311.45	2.80	-93.46
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl)C(=O)[O-]	REAL300017787740	0	34	-2.0	-96.13	317.40	3.13	-93.00
CO[C@@H](CNS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787741	0	34	-2.0	-111.81	328.39	3.48	-108.33
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017787742	0	34	-2.0	-95.48	323.08	3.77	-91.71
COC1=CC(Cl)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(=O)[O-]	REAL300017787743	0	35	-2.0	-100.43	326.02	2.63	-97.80
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F)C(=O)[O-]	REAL300017787744	0	35	-2.0	-98.53	334.09	2.84	-95.69
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787745	0	33	-2.0	-93.41	314.31	4.00	-89.41
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017787746	0	28	-2.0	-101.39	289.44	1.64	-99.75
CO[C@@H](CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017787747	0	34	-2.0	-99.09	319.12	3.28	-95.81
CO[C@@H](CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787748	0	33	-2.0	-119.48	323.75	3.60	-115.88
CO[C@@H](CNS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C)C(=O)[O-]	REAL300017787749	0	43	-2.0	-117.31	354.36	5.02	-112.29
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787750	0	33	-2.0	-106.57	320.51	4.36	-102.21
CO[C@@H](CNS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787751	0	40	-2.0	-110.01	347.08	4.26	-105.75
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787752	0	34	-2.0	-107.89	330.69	3.57	-104.32
CO[C@@H](CNS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787753	0	34	-2.0	-106.73	321.89	3.18	-103.55
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787754	0	37	-2.0	-105.41	337.98	4.62	-100.79
COC(=O)C1=COC(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])=C1	REAL300017787761	1	31	-2.0	-114.05	306.14	0.31	-113.74
COC(=O)C1=C(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])SC=N1	REAL300017787787	0	30	-2.0	-122.25	303.51	-0.02	-122.27
CO[C@@H](C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017787795	1	28	-2.0	-121.90	282.54	2.38	-119.52
CO[C@@H](C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017787799	1	27	-2.0	-113.35	285.43	1.01	-112.34
CO[C@@H](C[N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017787832	1	31	-2.0	-124.59	307.08	1.02	-123.57
CO[C@@H](C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787852	0	30	-2.0	-128.33	293.53	0.56	-127.77
COC1=CC=C(Br)C(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])=C1F	REAL300017787856	1	32	-2.0	-122.66	315.18	1.81	-120.85
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017787860	0	31	-2.0	-92.55	306.05	2.33	-90.22
CO[C@@H](C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017787860	1	30	-3.0	-169.54	310.85	2.27	-167.27
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1OC	REAL300017787862	0	42	-2.0	-100.02	367.02	3.07	-96.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300017787863	0	35	-2.0	-98.43	317.59	2.34	-96.09
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017787864	0	31	-2.0	-121.31	293.40	2.23	-119.08
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787880	0	33	-3.0	-176.98	325.36	3.07	-173.91
CO[C@@H](CNS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O)C(=O)[O-]	REAL300017787881	0	35	-2.0	-103.87	325.93	1.61	-102.26
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300017787882	0	31	-3.0	-180.00	295.35	1.12	-178.88
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(=O)[O-]	REAL300017787882	1	32	-2.0	-108.32	306.66	0.23	-108.09
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(=O)[O-]	REAL300017787883	0	30	-2.0	-106.47	293.39	0.64	-105.83
CO[C@@H](CNS(=O)(=O)C1=C(C)NN=C1C(=O)[O-])C(=O)[O-]	REAL300017787884	0	31	-2.0	-106.76	290.10	0.42	-106.34
CO[C@@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300017787885	0	34	-2.0	-111.79	316.31	3.46	-108.33
CO[C@@H](CNS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787886	0	28	-2.0	-93.88	288.47	1.11	-92.77
CO[C@@H](C[N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017787889	0	25	-2.0	-113.96	270.57	0.16	-113.80
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-]	REAL300017787900	1	32	-2.0	-119.02	306.23	2.26	-116.76
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])=C1	REAL300017787920	0	31	-2.0	-106.14	325.10	0.95	-105.19
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787924	0	35	-2.0	-110.95	340.96	3.06	-107.89
CO[C@@H](C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017787929	1	31	-2.0	-124.18	295.90	0.79	-123.39
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300017787931	0	29	-2.0	-102.71	299.96	1.62	-101.09
CO[C@@H](CNS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017787987	0	31	-2.0	-121.65	298.03	2.26	-119.39
CO[C@@H](CNS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787988	0	31	-2.0	-106.43	307.77	2.59	-103.84
CO[C@@H](C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300017787996	0	28	-2.0	-114.97	296.05	2.48	-112.49
CO[C@@H](C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017787997	1	30	-2.0	-109.19	307.48	0.85	-108.34
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017790966	1	29	-2.0	-120.22	306.05	4.88	-115.34
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017790970	1	34	-2.0	-131.93	337.18	5.02	-126.91
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300017790986	1	32	-2.0	-121.07	316.35	1.39	-119.68
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017790993	1	34	-2.0	-123.26	317.54	3.31	-119.95
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017791266	1	32	-2.0	-136.06	298.08	3.49	-132.57
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C)C(=O)[O-]	REAL300017791300	0	34	-2.0	-106.94	314.45	4.93	-102.01
C=CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791301	0	31	-2.0	-96.38	313.50	4.57	-91.81
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017791302	0	38	-2.0	-95.80	353.67	2.66	-93.14
C=CC[C@@H](NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017791303	0	39	-2.0	-112.03	356.50	5.29	-106.74
C=CC[C@@H](NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017791304	0	38	-2.0	-113.27	347.30	4.75	-108.52
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017791305	0	38	-2.0	-101.90	347.48	4.21	-97.69
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017791306	0	37	-2.0	-117.93	325.44	5.45	-112.48
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C)C(=O)[O-]	REAL300017791307	0	35	-2.0	-118.00	318.04	2.93	-115.07
C=CC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791308	0	39	-2.0	-100.18	355.38	3.89	-96.29
C=CC[C@@H](NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)[O-]	REAL300017791309	0	42	-2.0	-93.57	373.86	5.15	-88.42
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791310	0	38	-2.0	-122.62	346.34	5.04	-117.58
C=CC[C@@H](NS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791311	0	28	-2.0	-103.26	304.85	3.80	-99.46
C=CC[C@@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791312	0	28	-2.0	-98.06	288.91	3.13	-94.93
C=CC[C@@H](NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791313	0	31	-2.0	-107.13	299.47	3.11	-104.02
C=CC[C@@H](NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791314	0	37	-2.0	-117.66	339.14	3.85	-113.81
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017791315	0	41	-2.0	-101.38	376.76	5.33	-96.05
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017791316	0	35	-2.0	-98.09	344.11	4.90	-93.19
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017791317	0	41	-2.0	-100.27	386.56	5.81	-94.46
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017791318	0	38	-2.0	-97.25	348.15	5.07	-92.18
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017791319	0	44	-2.0	-99.11	390.58	6.00	-93.11
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791320	0	31	-2.0	-92.42	324.64	4.92	-87.50
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017791321	0	31	-2.0	-100.81	323.23	5.06	-95.75
C=CC[C@@H](NS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017791322	0	28	-2.0	-94.57	299.25	3.31	-91.26
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017791323	0	37	-2.0	-101.18	328.20	5.50	-95.68
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)C(=O)[O-]	REAL300017791324	0	34	-2.0	-98.63	309.21	4.90	-93.73
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791325	0	31	-2.0	-107.34	318.50	4.68	-102.66
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791326	0	31	-2.0	-106.13	303.61	4.13	-102.00
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017791327	0	34	-2.0	-93.00	324.73	5.22	-87.78
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017791328	0	31	-2.0	-93.33	308.33	4.60	-88.73
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017791329	0	31	-2.0	-99.06	301.52	4.12	-94.94
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C(=O)[O-]	REAL300017791330	0	34	-2.0	-108.33	323.16	5.32	-103.01
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791331	0	31	-2.0	-94.21	317.92	4.59	-89.62
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791332	0	31	-2.0	-91.89	315.57	4.51	-87.38
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C(=O)[O-]	REAL300017791333	0	34	-2.0	-108.05	322.95	4.79	-103.26
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Br)C(=O)[O-]	REAL300017791334	0	34	-2.0	-108.77	329.02	5.30	-103.47
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017791399	0	31	-2.0	-103.73	320.83	4.98	-98.75
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017791400	0	35	-2.0	-116.67	325.26	4.00	-112.67
C=CC[C@@H](NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791401	0	32	-2.0	-100.77	305.81	2.13	-98.64
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017791402	0	35	-2.0	-98.19	328.44	5.38	-92.81
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017791403	0	31	-2.0	-107.58	311.00	4.75	-102.83
C=CC[C@@H](NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017791404	0	37	-2.0	-98.07	340.56	5.67	-92.40
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017791405	0	31	-2.0	-107.55	302.68	4.16	-103.39
C=CC[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017791406	0	34	-2.0	-100.21	319.16	4.87	-95.34
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791407	0	35	-2.0	-105.43	324.53	4.14	-101.29
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017791408	0	35	-2.0	-97.49	328.07	4.37	-93.12
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017791409	0	35	-2.0	-100.19	334.56	4.41	-95.78
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)[O-]	REAL300017791410	0	31	-2.0	-93.26	302.65	4.18	-89.08
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017791411	0	31	-2.0	-95.95	309.49	4.47	-91.48
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017791412	0	34	-2.0	-102.34	322.48	4.78	-97.56
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017791413	0	39	-2.0	-98.20	360.72	5.49	-92.71
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017791414	0	31	-2.0	-99.10	309.08	4.20	-94.90
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017791414	1	30	-3.0	-195.39	300.30	4.60	-190.79
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791415	0	37	-2.0	-101.17	330.69	5.16	-96.01
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017791416	0	33	-2.0	-100.17	325.50	4.74	-95.43
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br)C(=O)[O-]	REAL300017791417	0	31	-2.0	-105.49	315.42	4.77	-100.72
C=CC[C@@H](NS(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017791418	0	35	-2.0	-97.55	335.58	4.64	-92.91
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017791419	0	31	-2.0	-95.18	313.24	4.57	-90.61
C=CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791420	0	34	-2.0	-96.20	334.87	5.23	-90.97
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Br)=C1C)C(=O)[O-]	REAL300017791421	0	34	-2.0	-108.63	327.18	5.42	-103.21
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791422	0	34	-2.0	-114.92	321.81	4.73	-110.19
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F)C(=O)[O-]	REAL300017791423	0	34	-2.0	-107.70	317.07	4.63	-103.07
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl)C(=O)[O-]	REAL300017791424	0	34	-2.0	-108.80	326.87	5.18	-103.62
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791425	0	34	-2.0	-112.67	328.20	5.05	-107.62
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017791426	0	34	-2.0	-92.87	320.18	5.11	-87.76
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl)C(=O)[O-]	REAL300017791427	0	35	-2.0	-114.21	335.57	4.65	-109.56
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F)C(=O)[O-]	REAL300017791428	0	35	-2.0	-93.45	341.65	4.50	-88.95
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017791429	0	33	-2.0	-91.12	311.72	5.62	-85.50
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017791430	0	28	-2.0	-100.41	290.00	3.22	-97.19
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017791431	0	34	-2.0	-102.42	319.20	4.86	-97.56
C=CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791432	0	33	-2.0	-101.29	323.82	5.16	-96.13
C=CC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C)C(=O)[O-]	REAL300017791433	0	43	-2.0	-112.31	358.00	6.78	-105.53
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(=O)[O-]	REAL300017791434	0	33	-2.0	-103.99	314.65	5.49	-98.50
C=CC[C@@H](NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791435	0	40	-2.0	-107.25	340.54	5.79	-101.46
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791436	0	34	-2.0	-96.00	330.76	5.14	-90.86
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791437	0	34	-2.0	-95.00	321.94	4.76	-90.24
C=CC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791438	0	37	-2.0	-123.27	338.17	6.19	-117.08
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017791445	1	31	-2.0	-130.41	301.91	2.60	-127.81
C=CC[C@@H]([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017791471	0	30	-2.0	-135.34	296.79	2.21	-133.13
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017791479	1	28	-2.0	-136.45	278.08	4.62	-131.83
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017791483	1	27	-2.0	-124.64	279.10	3.32	-121.32
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017791514	1	31	-2.0	-141.83	300.71	3.40	-138.43
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300017791517	0	31	-2.0	-122.18	328.30	4.31	-117.87
C=CC[C@@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017791536	0	30	-2.0	-144.82	289.10	2.87	-141.95
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300017791540	1	32	-2.0	-134.19	309.07	4.11	-130.08
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017791543	0	31	-2.0	-97.70	313.60	4.22	-93.48
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017791543	1	30	-3.0	-189.91	304.72	4.62	-185.29
C=CC[C@@H](NS(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC)C(=O)[O-]	REAL300017791545	0	42	-2.0	-111.56	375.68	4.76	-106.80
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)C(=O)[O-]	REAL300017791546	0	35	-2.0	-98.90	325.07	4.00	-94.90
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017791547	0	31	-2.0	-102.21	301.10	4.13	-98.08
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791560	0	33	-3.0	-174.18	325.41	4.64	-169.54
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O)C(=O)[O-]	REAL300017791561	0	35	-2.0	-100.37	325.38	3.28	-97.09
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300017791562	0	31	-3.0	-182.93	303.22	2.77	-180.16
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(=O)[O-]	REAL300017791562	1	32	-2.0	-112.78	306.35	1.93	-110.85
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(=O)[O-]	REAL300017791563	0	30	-2.0	-108.24	293.43	2.18	-106.06
C=CC[C@@H](NS(=O)(=O)C1=C(C)NN=C1C(=O)[O-])C(=O)[O-]	REAL300017791564	0	31	-2.0	-111.01	288.03	1.90	-109.11
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300017791565	0	34	-2.0	-115.44	313.56	4.94	-110.50
C=CC[C@@H](NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791566	0	28	-2.0	-101.54	294.97	3.07	-98.47
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017791569	0	25	-2.0	-129.94	266.14	2.46	-127.48
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300017791579	1	32	-2.0	-134.87	300.06	4.58	-130.29
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300017791597	0	31	-2.0	-118.72	318.74	3.32	-115.40
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791601	0	35	-2.0	-97.24	341.03	4.63	-92.61
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017791605	1	31	-2.0	-142.02	291.47	2.93	-139.09
C=CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300017791607	0	29	-2.0	-105.51	308.50	3.25	-102.26
C=CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017791657	0	31	-2.0	-101.16	305.49	4.14	-97.02
C=CC[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791658	0	31	-2.0	-93.68	307.79	4.17	-89.51
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300017791666	0	28	-2.0	-131.83	291.84	4.74	-127.09
C=CC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017791667	1	30	-2.0	-121.62	303.04	3.12	-118.50
C=CC[C@@H]([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300017791671	1	32	-2.0	-138.40	311.95	4.72	-133.68
C=CC[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017791674	1	28	-2.0	-123.96	289.54	4.45	-119.51
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=N[N-]1)C(=O)[O-]	REAL300017791686	1	34	-2.0	-100.47	326.44	1.21	-99.26
C=CC[C@@H](NS(=O)(=O)C1=N[N-]C(C(=O)OCC)=C1)C(=O)[O-]	REAL300017791686	1	34	-2.0	-100.42	326.54	1.22	-99.20
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300017791694	1	32	-2.0	-134.62	314.27	5.16	-129.46
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017791701	1	25	-2.0	-120.06	287.10	3.96	-116.10
C=CC[C@@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300017791707	1	25	-2.0	-127.15	278.60	3.98	-123.17
C=CC[C@@H](NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C(=O)[O-]	REAL300017791749	0	38	-2.0	-99.67	342.47	5.97	-93.70
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017791753	1	35	-2.0	-131.50	329.93	4.92	-126.58
C=CC[C@@H](NS(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017791760	0	34	-2.0	-107.05	319.41	3.90	-103.15
CC1=CC=C(C2CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])CC2)C=C1	REAL300017791790	0	48	-2.0	-106.96	386.44	7.30	-99.66
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCC3C2C3(F)F)=C1	REAL300017791863	1	32	-2.0	-93.72	308.11	4.76	-88.96
O=C([O-])C1=CC(S(=O)(=O)[N-]C2CCC3C2C3(F)F)=C(F)C(F)=C1F	REAL300017791884	0	32	-2.0	-90.98	312.79	4.78	-86.20
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3C2C3(F)F)=CC(C(=O)[O-])=C1	REAL300017791888	0	35	-2.0	-108.90	324.62	5.75	-103.15
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2CCC3C2C3(F)F)=C1	REAL300017791890	0	33	-2.0	-111.65	298.67	4.01	-107.64
O=C([O-])C1=CC(S(=O)(=O)[N-]C2CCC3C2C3(F)F)=C(Cl)O1	REAL300017791894	1	29	-2.0	-93.60	296.50	3.61	-89.99
O=C([O-])C1=C(F)C=CC(S(=O)(=O)[N-]C2CCC3C2C3(F)F)=C1F	REAL300017791895	1	32	-2.0	-103.19	304.52	4.69	-98.50
CC1(C)CC(CO)(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300017791962	1	41	-2.0	-99.92	356.47	2.11	-97.81
CC1(C)CC(CO)(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C1	REAL300017791982	1	41	-2.0	-96.77	360.90	2.13	-94.64
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C1	REAL300017791985	0	44	-2.0	-110.15	372.39	3.14	-107.01
CC1(C)CC(CO)(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300017791987	0	42	-2.0	-109.62	344.65	0.95	-108.67
C[C@H](O[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017805558	1	26	-2.0	-109.96	292.06	4.31	-105.65
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])=C1F	REAL300017805560	0	31	-2.0	-120.25	321.40	4.53	-115.72
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])=C1	REAL300017805561	1	34	-2.0	-126.31	326.81	4.70	-121.61
C[C@H](O[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300017805568	1	25	-2.0	-109.04	294.65	5.00	-104.04
C[C@H](O[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300017805575	0	29	-2.0	-111.74	302.33	0.82	-110.92
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])O1	REAL300017805580	0	31	-2.0	-112.65	303.70	2.72	-109.93
C[C@H](O[N-]S(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300017805583	1	28	-2.0	-134.21	295.55	3.15	-131.06
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])=C1F	REAL300017805595	0	31	-2.0	-119.83	311.08	4.09	-115.74
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-]	REAL300017805601	1	31	-2.0	-125.23	301.69	4.42	-120.81
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300017805602	1	43	-2.0	-97.13	386.97	1.73	-95.40
C[C@H](O[N-]S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017805617	1	28	-2.0	-121.82	314.79	0.46	-121.36
CCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300017805622	1	40	-2.0	-96.98	365.30	0.94	-96.04
C[C@H](O[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300017805638	0	25	-2.0	-110.86	279.85	4.87	-105.99
C[C@H](O[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805666	0	27	-2.0	-135.90	272.01	4.93	-130.97
C[C@H](O[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017805669	0	25	-2.0	-124.83	265.74	4.30	-120.53
C[C@H](O[N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805674	1	27	-2.0	-121.31	283.92	5.15	-116.16
C[C@H](O[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805677	0	27	-2.0	-122.24	296.97	5.99	-116.25
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])O1	REAL300017805690	0	31	-2.0	-112.08	307.49	3.06	-109.02
C[C@H](O[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017805694	0	28	-2.0	-124.53	284.69	5.33	-119.20
C[C@H](O[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805695	1	27	-2.0	-120.90	288.49	5.24	-115.66
C[C@H](O[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300017805697	1	27	-2.0	-106.41	290.79	4.70	-101.71
C[C@H](O[N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017805698	0	22	-2.0	-117.51	258.39	2.89	-114.62
C[C@H](O[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017805702	0	24	-2.0	-110.49	275.70	2.64	-107.85
C[C@H](O[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300017805703	1	27	-2.0	-110.00	279.98	4.08	-105.92
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-]	REAL300017805705	1	34	-2.0	-128.52	326.29	1.86	-126.66
CCN1C=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017805706	0	30	-2.0	-123.13	296.41	4.16	-118.97
C[C@H](O[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805707	0	27	-2.0	-126.83	279.65	4.74	-122.09
C[C@H](O[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805710	0	27	-2.0	-125.28	286.09	5.24	-120.04
C[C@H](ONS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017805712	1	33	-2.0	-106.33	321.57	-0.24	-106.57
C[C@H](O[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805730	0	27	-2.0	-131.28	279.87	5.48	-125.80
COC(=O)C1=CC(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300017805732	1	31	-2.0	-110.59	326.46	4.94	-105.65
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])=C1	REAL300017805739	1	31	-2.0	-125.89	306.36	4.06	-121.83
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-]	REAL300017805745	1	30	-2.0	-122.65	304.07	3.27	-119.38
CCCCCCN1C=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])C(=O)NC1=O	REAL300017805748	0	43	-2.0	-119.72	382.31	4.11	-115.61
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])S1	REAL300017805750	1	32	-2.0	-120.65	324.11	2.42	-118.23
C[C@H](O[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017805753	0	22	-2.0	-111.88	250.47	2.07	-109.81
CC1=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300017805754	1	31	-2.0	-117.71	299.67	4.59	-113.12
C[C@H](O[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017805755	0	22	-2.0	-111.14	273.58	3.60	-107.54
C[C@H](O[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017805771	0	26	-2.0	-117.04	275.39	4.03	-113.01
C[C@H](O[N-]S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300017805785	1	28	-2.0	-141.55	283.32	3.21	-138.34
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805787	0	40	-2.0	-103.86	369.19	0.08	-103.78
C[C@H](O[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017805790	1	24	-2.0	-108.02	271.52	2.53	-105.49
COC1=CC(Br)=C(F)C=C1S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-]	REAL300017805795	1	29	-2.0	-117.26	301.51	3.80	-113.46
C[C@H](O[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017805805	1	25	-2.0	-109.96	295.33	4.97	-104.99
C[C@H](O[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300017805812	0	25	-2.0	-112.35	287.88	4.49	-107.86
C[C@H](O[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017805815	0	25	-2.0	-111.01	281.25	4.45	-106.56
C[C@H](O[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300017805829	0	25	-2.0	-111.23	293.96	4.93	-106.30
COC1=CC(F)=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])C(F)=C1	REAL300017805841	0	29	-2.0	-123.55	284.24	2.95	-120.60
C[C@H](O[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017805852	1	24	-2.0	-110.22	271.23	2.47	-107.75
C[C@H](O[N-]S(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017805855	1	25	-2.0	-119.65	273.06	4.04	-115.61
C[C@H](O[N-]S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017805857	1	31	-2.0	-120.50	318.93	4.10	-116.40
C[C@H](O[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017805863	1	27	-2.0	-114.95	290.81	4.70	-110.25
COC(=O)C1=CC(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])=C(C(=O)OC)S1	REAL300017805864	1	34	-2.0	-127.30	342.15	4.43	-122.87
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-]	REAL300017805865	1	31	-2.0	-128.46	297.89	4.74	-123.72
C[C@H](O[N-]S(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017805869	1	25	-2.0	-116.59	280.52	4.52	-112.07
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805873	0	31	-2.0	-91.61	290.72	4.20	-87.41
C[C@H](ONS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017805874	0	28	-2.0	-95.07	293.78	3.98	-91.09
C[C@H](ONS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017805875	0	35	-2.0	-96.86	334.17	2.09	-94.77
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805876	0	36	-2.0	-98.90	333.41	5.10	-93.80
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805877	0	35	-2.0	-99.41	324.43	4.56	-94.85
COC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1CC(=O)[O-]	REAL300017805878	0	35	-2.0	-103.19	328.17	3.62	-99.57
CC1=CC(C)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017805879	0	34	-2.0	-115.62	308.96	4.76	-110.86
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805880	0	32	-2.0	-116.72	301.83	2.28	-114.44
COC1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017805881	0	36	-2.0	-118.05	335.82	3.30	-114.75
C[C@H](ONS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)[O-]	REAL300017805882	0	39	-2.0	-94.56	354.37	4.54	-90.02
CCOC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017805883	0	35	-2.0	-124.95	326.84	4.47	-120.48
C[C@H](ONS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017805884	0	25	-2.0	-91.89	281.21	3.18	-88.71
C[C@H](ONS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017805885	0	34	-2.0	-104.10	319.70	3.27	-100.83
C[C@H](ONS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017805886	0	38	-2.0	-97.84	357.28	4.74	-93.10
C[C@H](ONS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017805887	0	32	-2.0	-96.77	324.81	4.31	-92.46
C[C@H](ONS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017805888	0	38	-2.0	-97.17	367.09	5.22	-91.95
CC1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017805889	0	35	-2.0	-99.14	328.86	4.48	-94.66
CC1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017805890	0	41	-2.0	-98.88	371.14	5.41	-93.47
C[C@H](ONS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017805891	0	28	-2.0	-107.98	305.38	4.34	-103.64
C[C@H](ONS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017805892	0	28	-2.0	-90.73	299.72	4.39	-86.34
C[C@H](O[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017805892	1	27	-3.0	-177.86	302.95	4.91	-172.95
C[C@H](ONS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017805893	0	25	-2.0	-96.28	290.02	3.15	-93.13
C[C@H](O[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017805893	1	24	-3.0	-172.20	287.13	3.57	-168.63
CC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017805894	0	34	-2.0	-119.89	306.77	4.73	-115.16
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805895	0	31	-2.0	-97.45	285.43	4.16	-93.29
C[C@H](ONS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017805896	0	28	-2.0	-93.98	298.82	4.10	-89.88
C[C@H](ONS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017805897	0	28	-2.0	-93.76	284.11	3.56	-90.20
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805898	0	31	-2.0	-108.76	305.59	4.74	-104.02
C[C@H](ONS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017805899	0	28	-2.0	-97.32	284.52	3.93	-93.39
C[C@H](ONS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017805900	0	28	-2.0	-102.68	282.07	3.53	-99.15
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805901	0	31	-2.0	-91.95	299.64	4.60	-87.35
C[C@H](ONS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017805902	0	28	-2.0	-110.27	298.41	4.02	-106.25
C[C@H](ONS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017805903	0	28	-2.0	-107.25	296.06	3.93	-103.32
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1F	REAL300017805904	0	31	-2.0	-96.85	300.15	4.14	-92.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1Br	REAL300017805905	0	31	-2.0	-93.73	305.06	4.61	-89.12
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])C=C1Cl	REAL300017805912	1	32	-2.0	-123.53	322.64	2.94	-120.59
C[C@H](O[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017805920	1	31	-2.0	-125.89	312.70	4.04	-121.85
C[C@H](O[N-]S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017805921	1	31	-2.0	-120.42	329.42	4.56	-115.86
COC1=C(F)C=C(Br)C=C1S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-]	REAL300017805924	1	29	-2.0	-112.76	299.46	3.94	-108.82
C[C@H](O[N-]S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017805928	1	24	-2.0	-105.26	273.35	2.43	-102.83
COC(=O)C1=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])C2=CC=CC=C2S1	REAL300017805931	1	34	-2.0	-134.49	326.53	6.22	-128.27
C[C@H](O[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017805942	1	25	-2.0	-117.37	277.58	4.48	-112.89
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])S1	REAL300017805949	1	31	-2.0	-110.20	324.45	4.13	-106.07
C[C@H](O[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017805962	1	25	-2.0	-115.86	279.31	4.55	-111.31
C[C@H](O[N-]S(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017805966	1	25	-2.0	-121.00	272.36	4.02	-116.98
C[C@H](ONS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017805971	0	28	-2.0	-91.17	297.00	4.32	-86.85
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805972	0	32	-2.0	-98.43	301.95	3.79	-94.64
C[C@H](ONS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017805973	0	29	-2.0	-99.50	286.52	1.54	-97.96
C[C@H](ONS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017805974	0	32	-2.0	-101.59	309.16	4.80	-96.79
C[C@H](ONS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017805975	0	28	-2.0	-92.93	286.96	4.07	-88.86
C[C@H](ONS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017805976	0	34	-2.0	-97.98	321.28	5.09	-92.89
C[C@H](ONS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017805977	0	28	-2.0	-96.27	279.91	3.51	-92.76
C[C@H](ONS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017805978	0	31	-2.0	-99.36	299.88	4.29	-95.07
COC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017805979	0	32	-2.0	-124.38	305.00	3.56	-120.82
C[C@H](ONS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017805980	0	32	-2.0	-98.71	308.78	3.79	-94.92
C[C@H](ONS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017805981	0	32	-2.0	-98.04	314.84	3.84	-94.20
C[C@H](ONS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)[O-]	REAL300017805982	0	28	-2.0	-100.49	279.71	3.52	-96.97
C[C@H](ONS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017805983	0	28	-2.0	-99.07	290.04	3.89	-95.18
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805984	0	31	-2.0	-124.49	299.52	4.14	-120.35
C[C@H](ONS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017805985	0	36	-2.0	-98.98	341.28	4.90	-94.08
C[C@H](ONS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017805986	0	28	-2.0	-92.97	286.21	3.57	-89.40
C[C@H](O[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017805986	1	27	-3.0	-176.88	286.30	4.03	-172.85
CC1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017805987	0	34	-2.0	-98.90	310.41	4.56	-94.34
C[C@H](ONS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017805988	0	30	-2.0	-103.57	305.73	4.16	-99.41
C[C@H](ONS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br)C(=O)[O-]	REAL300017805989	0	28	-2.0	-92.13	291.52	4.08	-88.05
COC1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017805990	0	32	-2.0	-102.20	311.60	3.99	-98.21
C[C@H](ONS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017805991	0	28	-2.0	-98.23	293.78	3.99	-94.24
CC1=C(Br)C=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017805992	0	31	-2.0	-111.60	315.41	4.65	-106.95
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805993	0	31	-2.0	-91.98	303.67	4.67	-87.31
CC1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017805994	0	31	-2.0	-118.76	302.54	4.14	-114.62
COC1=CC(Br)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017805995	0	32	-2.0	-97.77	314.22	4.12	-93.65
CC1=CC(F)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017805996	0	31	-2.0	-97.71	299.57	4.15	-93.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1Cl	REAL300017805997	0	31	-2.0	-94.63	303.01	4.50	-90.13
CC1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017805998	0	31	-2.0	-115.92	308.93	4.46	-111.46
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805999	0	31	-2.0	-108.71	301.02	4.64	-104.07
COC1=CC(Cl)=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017806000	0	32	-2.0	-98.76	311.79	4.00	-94.76
N#CC1=CC(F)=C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])C=C1Br	REAL300017814967	1	29	-2.0	-98.71	310.47	0.83	-97.88
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])=C1F	REAL300017814971	1	34	-2.0	-109.59	339.65	1.05	-108.54
NC(=O)C1=CC(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])=C(F)C=C1Br	REAL300017814987	1	32	-2.0	-101.67	320.75	-2.66	-104.33
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])O1	REAL300017814994	1	34	-2.0	-103.42	321.94	-0.76	-104.18
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])C(F)=C1	REAL300017815275	1	32	-2.0	-110.80	302.48	-0.54	-111.34
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815307	0	34	-2.0	-98.24	314.74	1.78	-96.46
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017815308	0	31	-2.0	-101.06	311.21	1.33	-99.73
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815309	0	38	-2.0	-95.80	351.42	-0.57	-96.37
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815310	0	39	-2.0	-103.67	346.83	1.97	-101.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815311	0	38	-2.0	-103.54	337.67	1.45	-102.09
COC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1CC(=O)[O-]	REAL300017815312	0	38	-2.0	-106.28	345.43	0.98	-105.30
CC1=CC(C)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017815313	0	37	-2.0	-104.87	325.53	2.27	-102.60
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815314	0	35	-2.0	-106.04	318.35	-0.20	-106.24
COC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017815315	0	39	-2.0	-105.57	353.28	0.66	-104.91
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017815316	0	42	-2.0	-94.71	371.80	1.90	-92.81
CCOC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017815317	0	38	-2.0	-110.54	344.10	1.82	-108.72
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017815318	0	28	-2.0	-95.52	293.03	0.14	-95.38
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017815319	0	28	-2.0	-101.98	286.62	-0.13	-102.11
CC1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017815320	0	31	-2.0	-101.36	298.89	-0.04	-101.40
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017815321	0	37	-2.0	-107.83	337.13	0.62	-107.21
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1F	REAL300017815322	0	41	-2.0	-101.02	374.72	2.10	-98.92
O=C([O-])COC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1Cl	REAL300017815323	0	35	-2.0	-98.33	342.07	1.67	-96.66
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1Cl	REAL300017815324	0	41	-2.0	-99.89	384.52	2.58	-97.31
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017815325	0	38	-2.0	-98.29	346.12	1.84	-96.45
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017815326	0	44	-2.0	-99.22	388.57	2.77	-96.45
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017815327	0	31	-2.0	-97.00	322.65	1.70	-95.30
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017815328	0	31	-2.0	-93.09	311.75	1.36	-91.73
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017815329	0	28	-2.0	-93.94	303.27	0.39	-93.55
CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017815330	0	37	-2.0	-105.12	328.38	2.37	-102.75
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815331	0	34	-2.0	-98.28	309.57	1.75	-96.53
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017815332	0	31	-2.0	-98.20	316.26	1.46	-96.74
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017815333	0	31	-2.0	-97.87	301.38	0.91	-96.96
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815334	0	34	-2.0	-95.93	326.13	2.14	-93.79
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017815335	0	31	-2.0	-94.59	296.54	0.89	-93.70
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017815336	0	31	-2.0	-99.96	299.50	0.89	-99.07
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815337	0	34	-2.0	-98.96	323.42	2.18	-96.78
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017815338	0	31	-2.0	-99.57	315.68	1.38	-98.19
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017815339	0	31	-2.0	-96.68	313.33	1.29	-95.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1F	REAL300017815340	0	34	-2.0	-98.21	313.41	1.22	-96.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1Br	REAL300017815341	0	34	-2.0	-99.22	329.52	2.16	-97.06
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017815407	0	31	-2.0	-95.01	309.14	1.28	-93.73
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815408	0	35	-2.0	-104.22	315.36	0.67	-103.55
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017815409	0	32	-2.0	-105.46	303.78	-1.11	-106.57
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815410	0	35	-2.0	-100.10	326.42	2.14	-97.96
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017815411	0	31	-2.0	-98.36	311.36	1.61	-96.75
O=C([O-])CCC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815412	0	37	-2.0	-97.56	338.53	2.44	-95.12
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017815413	0	31	-2.0	-98.00	293.18	0.59	-97.41
O=C([O-])CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815414	0	34	-2.0	-98.27	317.13	1.63	-96.64
COC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017815415	0	35	-2.0	-109.98	322.26	0.91	-109.07
O=C([O-])COC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815416	0	35	-2.0	-98.18	326.03	1.13	-97.05
O=C([O-])COC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1F	REAL300017815417	0	35	-2.0	-100.14	332.26	1.19	-98.95
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017815418	0	31	-2.0	-95.02	293.16	0.60	-94.42
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017815419	0	31	-2.0	-96.65	307.47	1.25	-95.40
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815420	0	34	-2.0	-106.83	312.78	1.22	-105.61
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1	REAL300017815421	0	39	-2.0	-98.63	358.70	2.26	-96.37
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017815422	0	31	-2.0	-92.40	299.48	0.66	-91.74
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017815422	1	30	-3.0	-166.55	304.72	0.55	-166.00
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017815423	0	37	-2.0	-104.37	327.84	1.91	-102.46
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017815424	0	33	-2.0	-94.77	323.16	1.51	-93.26
COC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017815425	0	35	-2.0	-99.38	323.85	0.95	-98.43
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017815426	0	31	-2.0	-95.85	311.21	1.34	-94.51
CC1=C(Br)C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017815427	0	34	-2.0	-99.40	332.81	2.01	-97.39
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815428	0	34	-2.0	-99.13	327.55	2.26	-96.87
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017815429	0	34	-2.0	-105.62	319.80	1.50	-104.12
CC1=CC(F)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017815430	0	34	-2.0	-97.78	309.26	1.13	-96.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1Cl	REAL300017815431	0	34	-2.0	-98.26	315.19	1.46	-96.80
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017815432	0	34	-2.0	-102.60	326.19	1.81	-100.79
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815433	0	34	-2.0	-95.91	321.56	2.03	-93.88
COC1=CC(Cl)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017815434	0	35	-2.0	-102.96	323.87	0.96	-102.00
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017815435	0	35	-2.0	-94.91	331.89	1.18	-93.73
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017815436	0	33	-2.0	-94.09	312.27	2.35	-91.74
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017815437	0	28	-2.0	-97.48	287.23	-0.02	-97.50
O=C([O-])CC1=CC=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815438	0	34	-2.0	-102.12	317.14	1.62	-100.50
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017815439	0	33	-2.0	-110.46	321.54	1.93	-108.53
CC1=CC(C)=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017815440	0	43	-2.0	-102.30	355.68	3.48	-98.82
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017815441	0	33	-2.0	-110.19	318.59	2.69	-107.50
CC(C)(C)C1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017815442	0	40	-2.0	-103.59	344.99	2.60	-100.99
CC1=C(Cl)C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017815443	0	34	-2.0	-99.21	328.71	1.91	-97.30
CC1=C(F)C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017815444	0	34	-2.0	-98.49	319.91	1.52	-96.97
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017815445	0	37	-2.0	-110.18	336.01	2.97	-107.21
COC(=O)C1=COC(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])=C1	REAL300017815452	1	31	-2.0	-106.90	304.38	-1.39	-108.29
COC(=O)C1=C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])SC=N1	REAL300017815478	0	30	-2.0	-110.97	299.65	-1.79	-112.76
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017815486	1	28	-2.0	-112.11	280.59	0.68	-111.43
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017815490	1	27	-2.0	-105.07	283.47	-0.69	-105.76
CC1=NC(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])=C(Br)N1C	REAL300017815523	1	31	-2.0	-117.23	306.21	-0.74	-117.97
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])=N1	REAL300017815543	0	30	-2.0	-119.21	291.59	-1.14	-120.35
COC1=CC=C(Br)C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])=C1F	REAL300017815547	1	32	-2.0	-113.54	313.46	0.11	-113.43
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017815551	0	31	-2.0	-92.81	303.91	0.67	-92.14
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017815551	1	30	-3.0	-163.03	309.10	0.57	-162.46
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1OC	REAL300017815553	0	42	-2.0	-102.31	374.49	1.41	-100.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815554	0	35	-2.0	-97.67	315.39	0.67	-97.00
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017815555	0	31	-2.0	-107.01	291.42	0.57	-106.44
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017815571	0	33	-3.0	-168.83	323.37	1.41	-167.42
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815572	0	35	-2.0	-104.13	316.16	-0.16	-104.29
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017815573	0	31	-3.0	-167.07	293.37	-0.54	-167.61
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017815573	1	32	-2.0	-102.24	304.41	-1.42	-103.66
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017815574	0	30	-2.0	-99.42	291.19	-1.03	-100.45
CC1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(C(=O)[O-])=NN1	REAL300017815575	0	31	-2.0	-112.74	287.89	-1.25	-113.99
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815576	0	34	-2.0	-105.38	314.10	1.78	-103.60
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017815577	0	28	-2.0	-94.62	286.51	-0.54	-95.16
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017815580	0	25	-2.0	-105.78	268.61	-1.54	-107.32
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-]	REAL300017815591	1	32	-2.0	-109.39	304.49	0.55	-108.84
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])=C1	REAL300017815611	0	31	-2.0	-99.72	323.14	-0.75	-100.47
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017815615	0	35	-2.0	-102.47	338.76	1.39	-101.08
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017815620	1	31	-2.0	-114.57	293.93	-0.90	-115.47
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017815622	0	29	-2.0	-90.08	297.75	-0.05	-90.13
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017815678	0	31	-2.0	-107.73	295.93	0.59	-107.14
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017815679	0	31	-2.0	-99.51	305.80	0.94	-98.57
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017815687	0	28	-2.0	-106.01	294.30	0.78	-105.23
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017815688	1	30	-2.0	-102.32	305.51	-0.85	-103.17
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-]	REAL300017815692	1	32	-2.0	-114.71	316.33	0.89	-113.82
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017815695	1	28	-2.0	-102.69	292.06	0.48	-102.21
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017815708	1	34	-2.0	-92.51	323.18	-2.06	-94.57
CCOC(=O)C1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=N[N-]1	REAL300017815708	1	34	-2.0	-92.47	323.28	-2.05	-94.52
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-]	REAL300017815716	1	32	-2.0	-108.66	318.63	1.13	-107.53
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017815723	1	25	-2.0	-97.20	289.58	-0.02	-97.22
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300017815729	1	25	-2.0	-103.64	283.00	-0.09	-103.73
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017815773	0	38	-2.0	-101.78	340.41	2.73	-99.05
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017815777	1	35	-2.0	-108.43	332.44	0.93	-107.50
CCC1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017815785	0	34	-2.0	-100.93	319.30	0.77	-100.16
CCN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)[O-]	REAL300017815790	0	34	-2.0	-100.21	319.96	3.86	-96.35
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815791	0	39	-2.0	-103.01	346.12	5.76	-97.25
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815792	0	40	-2.0	-103.29	347.92	6.34	-96.95
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815793	0	37	-2.0	-104.13	334.84	5.56	-98.57
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815795	0	30	-2.0	-93.94	293.51	3.72	-90.22
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1Cl	REAL300017815796	0	30	-2.0	-101.22	304.43	4.04	-97.18
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815797	0	30	-2.0	-99.71	292.33	3.66	-96.05
CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)[O-]	REAL300017815798	0	33	-2.0	-100.20	307.96	4.19	-96.01
O=C([O-])C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017815799	0	30	-2.0	-96.33	292.31	3.67	-92.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1C	REAL300017815800	0	36	-2.0	-104.89	323.51	5.07	-99.82
O=C([O-])CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017815801	0	30	-2.0	-95.04	306.50	3.60	-91.44
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815802	0	33	-2.0	-102.61	306.98	4.57	-98.04
O=C([O-])C1=CSC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815803	0	27	-2.0	-96.91	285.10	2.68	-94.23
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815804	0	36	-2.0	-103.49	324.00	5.44	-98.05
CN1C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)[O-]	REAL300017815805	0	31	-2.0	-99.24	298.98	3.00	-96.24
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017815806	0	30	-2.0	-96.30	301.44	3.34	-92.96
CC1=C(C(=O)[O-])C(S(=O)(=O)NCCC(F)C(=O)[O-])=C(C)O1	REAL300017815807	0	33	-2.0	-107.92	306.73	4.03	-103.89
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(Cl)C=C1F	REAL300017815808	0	30	-2.0	-94.00	298.06	3.73	-90.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017815809	0	33	-2.0	-97.81	302.24	4.34	-93.47
CCC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)[O-]	REAL300017815810	0	36	-2.0	-100.17	326.20	4.84	-95.33
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1C(=O)[O-]	REAL300017815811	0	33	-2.0	-95.87	308.34	4.20	-91.67
O=C([O-])C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(Br)=C1	REAL300017815812	0	30	-2.0	-92.14	308.71	4.41	-87.73
O=C([O-])C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(F)(F)F	REAL300017815813	0	33	-2.0	-94.89	322.04	4.46	-90.43
CN1C=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])C(=O)N(C)C1=O	REAL300017815820	1	33	-2.0	-108.70	307.79	1.73	-106.97
CN1C=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])C(C(F)(F)F)=N1	REAL300017815842	1	30	-2.0	-104.56	299.85	1.56	-103.00
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017815844	0	29	-2.0	-100.46	302.74	4.88	-95.58
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300017815866	1	27	-2.0	-106.03	284.84	4.02	-102.01
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017815872	0	27	-2.0	-100.25	279.70	2.90	-97.35
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300017815877	1	27	-2.0	-102.07	283.44	3.29	-98.78
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=C(Br)S1	REAL300017815886	1	24	-2.0	-97.73	275.22	2.44	-95.29
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017815912	1	30	-2.0	-101.45	297.79	3.19	-98.26
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017815913	1	30	-2.0	-107.17	312.50	4.76	-102.41
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300017815919	1	24	-2.0	-102.94	269.19	2.18	-100.76
CC1=CC(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C(F)C=C1Br	REAL300017815935	1	30	-2.0	-102.93	306.20	3.96	-98.97
CC1=CC(F)=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])C(F)=C1	REAL300017815947	0	30	-2.0	-111.44	291.54	3.68	-107.76
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017815953	1	27	-2.0	-104.18	283.85	3.30	-100.88
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017815958	1	30	-2.0	-90.49	305.12	-0.54	-91.03
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017815959	0	30	-2.0	-101.11	301.22	3.62	-97.49
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017815977	1	24	-2.0	-96.56	284.46	2.88	-93.68
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CCC(F)C(=O)[O-]	REAL300017815985	1	33	-2.0	-118.97	315.75	1.22	-117.75
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])C=C1Br	REAL300017816166	1	28	-2.0	-95.78	307.19	3.67	-92.11
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C1F	REAL300017816170	1	33	-2.0	-106.76	336.75	3.90	-102.86
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])O1	REAL300017816192	1	33	-2.0	-99.65	319.06	2.09	-97.56
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C1F	REAL300017816209	0	33	-2.0	-106.20	326.42	3.45	-102.75
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C(Cl)S1	REAL300017816232	1	30	-2.0	-107.53	329.91	-0.17	-107.70
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017816253	1	27	-2.0	-96.60	295.21	4.24	-92.36
COC(=O)C1=CC=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])O1	REAL300017816283	1	30	-2.0	-99.20	301.16	1.51	-97.69
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017816284	0	29	-2.0	-119.54	287.60	4.45	-115.09
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017816287	1	27	-2.0	-108.71	280.85	3.65	-105.06
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300017816292	1	29	-2.0	-106.85	296.89	4.83	-102.02
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017816295	0	29	-2.0	-104.79	312.34	5.46	-99.33
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])O1	REAL300017816308	1	33	-2.0	-99.41	323.03	2.43	-96.98
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017816312	1	30	-2.0	-107.78	300.08	4.86	-102.92
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017816313	1	29	-2.0	-106.62	301.46	4.94	-101.68
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017816316	1	24	-2.0	-101.88	273.93	2.29	-99.59
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017816321	1	26	-2.0	-97.04	291.23	2.03	-95.01
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300017816322	1	29	-2.0	-96.48	294.93	3.44	-93.04
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]CCC(F)C(=O)[O-]	REAL300017816324	1	36	-2.0	-115.29	341.63	1.23	-114.06
CCN1C=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017816325	1	32	-2.0	-110.77	311.53	3.60	-107.17
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017816326	1	29	-2.0	-112.75	294.63	4.11	-108.64
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017816329	1	29	-2.0	-109.72	301.05	4.93	-104.79
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(F)=C1	REAL300017816331	1	35	-2.0	-94.21	332.41	-0.35	-94.56
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017816351	0	29	-2.0	-116.00	294.92	4.94	-111.06
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]CCC(F)C(=O)[O-]	REAL300017816369	1	32	-2.0	-105.44	325.49	2.22	-103.22
CCCCCCN1C=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])C(=O)NC1=O	REAL300017816373	1	45	-2.0	-107.15	397.43	3.47	-103.68
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])S1	REAL300017816375	1	34	-2.0	-105.42	339.06	1.82	-103.60
CC1=CC(F)=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])C=C1F	REAL300017816377	1	30	-2.0	-104.36	293.42	3.48	-100.88
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017816379	0	24	-2.0	-98.81	265.59	1.43	-97.38
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017816381	1	24	-2.0	-96.75	288.69	2.97	-93.78
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])C(F)=C1	REAL300017816396	0	28	-2.0	-101.59	290.92	3.39	-98.20
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300017816410	1	30	-2.0	-125.77	298.88	2.58	-123.19
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816412	0	42	-2.0	-99.57	371.01	0.28	-99.29
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017816414	1	26	-2.0	-94.51	286.65	1.90	-92.61
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017816438	0	27	-2.0	-98.07	302.84	3.85	-94.22
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017816441	1	27	-2.0	-97.81	296.38	3.84	-93.97
COC1=CC(F)=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])C(F)=C1	REAL300017816472	0	31	-2.0	-107.67	299.61	2.30	-105.37
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017816483	1	26	-2.0	-97.39	286.36	1.85	-95.54
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300017816487	1	27	-2.0	-103.99	288.41	3.40	-100.59
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816503	0	33	-2.0	-97.12	311.68	4.60	-92.52
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1Br	REAL300017816504	0	30	-2.0	-100.47	308.17	4.14	-96.33
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816505	0	37	-2.0	-93.01	348.77	2.24	-90.77
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816506	0	38	-2.0	-99.09	344.19	4.78	-94.31
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816507	0	37	-2.0	-99.89	335.02	4.26	-95.63
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1CC(=O)[O-]	REAL300017816508	0	37	-2.0	-104.23	342.80	3.79	-100.44
CC1=CC(C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)[O-]	REAL300017816509	0	36	-2.0	-104.08	322.84	5.10	-98.98
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816510	0	34	-2.0	-104.94	315.39	2.61	-102.33
COC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017816511	0	38	-2.0	-105.04	350.65	3.47	-101.57
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017816512	0	41	-2.0	-91.87	369.17	4.72	-87.15
CCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)[O-]	REAL300017816513	0	37	-2.0	-106.74	341.06	4.63	-102.11
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(Br)S1	REAL300017816514	0	27	-2.0	-92.09	290.33	2.96	-89.13
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CS1	REAL300017816515	0	27	-2.0	-98.89	283.58	2.67	-96.22
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017816516	0	30	-2.0	-100.22	296.66	2.75	-97.47
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC2=C1OCCO2	REAL300017816517	0	36	-2.0	-104.05	334.10	3.42	-100.63
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017816518	0	40	-2.0	-97.51	371.67	4.90	-92.61
O=C([O-])COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Cl	REAL300017816519	0	34	-2.0	-95.56	339.03	4.48	-91.08
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Cl	REAL300017816520	0	40	-2.0	-96.47	381.47	5.39	-91.08
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017816521	0	37	-2.0	-95.49	343.48	4.65	-90.84
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017816522	0	43	-2.0	-95.89	385.52	5.57	-90.32
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC(Cl)=C1Cl	REAL300017816523	0	30	-2.0	-96.20	319.59	4.50	-91.70
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816524	0	30	-2.0	-89.92	308.67	4.17	-85.75
O=C([O-])C1=CC(Br)=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017816525	0	27	-2.0	-92.54	300.17	3.18	-89.36
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])S1	REAL300017816525	1	26	-3.0	-160.57	302.25	2.99	-157.58
CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017816526	0	36	-2.0	-101.81	325.18	5.15	-96.66
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816527	0	33	-2.0	-96.26	306.52	4.57	-91.69
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816528	0	30	-2.0	-95.10	313.20	4.26	-90.84
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816529	0	30	-2.0	-94.61	298.73	3.72	-90.89
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816530	0	33	-2.0	-92.77	322.73	5.04	-87.73
O=C([O-])C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(Cl)=C1	REAL300017816531	0	30	-2.0	-92.72	293.90	3.71	-89.01
O=C([O-])C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017816532	0	30	-2.0	-98.00	296.44	3.69	-94.31
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816533	0	33	-2.0	-97.86	320.36	4.98	-92.88
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC(Cl)=C1F	REAL300017816534	0	30	-2.0	-98.58	313.03	4.19	-94.39
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC(F)=C1Cl	REAL300017816535	0	30	-2.0	-95.62	310.68	4.10	-91.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1F	REAL300017816536	0	33	-2.0	-94.75	310.42	4.04	-90.71
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1Br	REAL300017816537	0	33	-2.0	-97.76	326.47	4.97	-92.79
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])C=C1Cl	REAL300017816544	1	34	-2.0	-109.93	336.87	2.29	-107.64
COC1=C(F)C=C(Br)C=C1S(=O)(=O)[N-]CCC(F)C(=O)[O-]	REAL300017816556	1	31	-2.0	-97.48	315.29	3.75	-93.73
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017816561	1	30	-2.0	-107.16	290.97	3.11	-104.05
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])S1	REAL300017816583	1	33	-2.0	-96.19	339.41	3.54	-92.65
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300017816601	1	27	-2.0	-106.46	287.31	3.38	-103.08
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(Cl)C=C1Cl	REAL300017816607	0	30	-2.0	-91.31	306.45	4.10	-87.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816608	0	34	-2.0	-99.77	312.31	3.48	-96.29
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1O	REAL300017816609	0	31	-2.0	-101.97	301.13	1.71	-100.26
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816610	0	34	-2.0	-97.36	323.77	4.95	-92.41
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816611	0	30	-2.0	-96.16	308.32	4.41	-91.75
O=C([O-])CCC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816612	0	36	-2.0	-94.39	335.88	5.25	-89.14
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816613	0	30	-2.0	-94.26	290.13	3.41	-90.85
O=C([O-])CC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816614	0	33	-2.0	-95.23	314.08	4.44	-90.79
COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)[O-]	REAL300017816615	0	34	-2.0	-109.53	319.21	3.72	-105.81
O=C([O-])COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816616	0	34	-2.0	-95.41	323.42	3.94	-91.47
O=C([O-])COC1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1F	REAL300017816617	0	34	-2.0	-97.40	329.22	4.00	-93.40
O=C([O-])C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(F)=C1	REAL300017816618	0	30	-2.0	-93.33	290.10	3.42	-89.91
O=C([O-])C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Cl	REAL300017816619	0	30	-2.0	-94.79	304.41	4.05	-90.74
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816620	0	33	-2.0	-107.48	310.12	4.04	-103.44
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1	REAL300017816621	0	38	-2.0	-95.50	356.07	5.07	-90.43
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816622	0	30	-2.0	-89.47	296.41	3.47	-86.00
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C1	REAL300017816622	1	29	-3.0	-162.12	301.84	3.40	-158.72
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017816623	0	36	-2.0	-102.65	329.41	4.85	-97.80
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816624	0	32	-2.0	-93.57	320.51	4.33	-89.24
COC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017816625	0	34	-2.0	-97.60	321.15	3.77	-93.83
O=C([O-])C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1Br	REAL300017816626	0	30	-2.0	-93.99	308.15	4.15	-89.84
CC1=C(Br)C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)[O-]	REAL300017816627	0	33	-2.0	-98.84	329.76	4.81	-94.03
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816628	0	33	-2.0	-98.03	324.50	5.07	-92.96
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017816629	0	33	-2.0	-102.09	316.77	4.30	-97.79
CC1=CC(F)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)[O-]	REAL300017816630	0	33	-2.0	-94.03	306.61	3.95	-90.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1Cl	REAL300017816631	0	33	-2.0	-94.66	312.21	4.29	-90.37
CC1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017816632	0	33	-2.0	-99.10	323.16	4.61	-94.49
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816633	0	33	-2.0	-92.69	318.16	4.94	-87.75
COC1=CC(Cl)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)[O-]	REAL300017816634	0	34	-2.0	-99.18	321.22	3.78	-95.40
O=C([O-])C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(OC(F)(F)F)=C1	REAL300017816635	0	34	-2.0	-93.20	329.22	3.99	-89.21
O=C([O-])C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300017816636	0	32	-2.0	-92.08	309.35	5.16	-86.92
O=C([O-])C1=CC=C(S(=O)(=O)NCCC(F)C(=O)[O-])S1	REAL300017816637	0	27	-2.0	-95.69	284.17	2.78	-92.91
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816638	0	33	-2.0	-98.13	314.09	4.43	-93.70
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017816639	0	32	-2.0	-106.96	318.49	4.75	-102.21
CC1=CC(C)=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017816640	0	42	-2.0	-103.48	349.32	6.17	-97.31
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1[N+](=O)[O-]	REAL300017816641	0	32	-2.0	-107.67	315.78	5.45	-102.22
CC(C)(C)C1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017816642	0	39	-2.0	-101.78	341.84	5.45	-96.33
CC1=C(Cl)C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)[O-]	REAL300017816643	0	33	-2.0	-98.72	325.66	4.72	-94.00
CC1=C(F)C=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C1C(=O)[O-]	REAL300017816644	0	33	-2.0	-97.66	317.26	4.34	-93.32
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC2=CC=CC=C21	REAL300017816645	0	36	-2.0	-110.14	332.96	5.78	-104.36
COC(=O)C1=COC(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C1	REAL300017816653	1	30	-2.0	-103.41	301.09	1.45	-101.96
COC(=O)C1=NSC=C1S(=O)(=O)[N-]CCC(F)C(=O)[O-]	REAL300017816679	1	29	-2.0	-109.85	294.87	1.57	-108.28
COC(=O)C1=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])SC=N1	REAL300017816680	0	29	-2.0	-108.87	301.39	0.46	-108.41
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017816688	1	27	-2.0	-109.34	277.27	3.51	-105.83
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017816692	0	26	-2.0	-102.14	280.19	2.15	-99.99
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300017816709	1	30	-2.0	-102.78	303.81	4.88	-97.90
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300017816722	1	31	-2.0	-110.23	308.95	3.60	-106.63
CC1=NC(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C(Br)N1C	REAL300017816725	1	30	-2.0	-112.90	301.82	2.16	-110.74
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=N1	REAL300017816744	0	29	-2.0	-117.32	289.56	1.62	-115.70
COC1=CC=C(Br)C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C1F	REAL300017816749	0	31	-2.0	-110.50	310.58	2.96	-107.54
O=C([O-])C1=CC(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C(F)C(F)=C1F	REAL300017816753	0	29	-3.0	-158.91	306.22	3.42	-155.49
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(F)C(F)=C1F	REAL300017816753	1	30	-2.0	-89.91	301.26	3.50	-86.41
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1OC	REAL300017816755	0	41	-2.0	-97.75	371.86	4.25	-93.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816756	0	34	-2.0	-95.03	312.34	3.48	-91.55
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1F	REAL300017816757	0	30	-2.0	-107.55	288.66	3.38	-104.17
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017816773	0	32	-3.0	-167.70	320.74	4.22	-163.48
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816774	0	34	-2.0	-101.00	320.55	2.78	-98.22
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816775	0	30	-3.0	-166.84	290.31	2.27	-164.57
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816775	1	31	-2.0	-100.16	301.67	1.40	-98.76
O=C([O-])C1=CC=NC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816776	0	29	-2.0	-94.65	285.37	1.98	-92.67
CC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C(C(=O)[O-])=NN1	REAL300017816777	0	30	-2.0	-111.19	283.31	1.48	-109.71
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCCC(F)C(=O)[O-]	REAL300017816778	0	33	-2.0	-104.49	311.56	4.60	-99.89
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C(Cl)O1	REAL300017816779	0	27	-2.0	-91.71	283.39	2.25	-89.46
O=C([O-])C1=CC(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C(Cl)O1	REAL300017816779	1	26	-3.0	-160.45	290.23	2.26	-158.19
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017816782	0	24	-2.0	-102.15	262.98	1.39	-100.76
COC1=CC(F)=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])C=C1F	REAL300017816785	1	31	-2.0	-102.28	302.82	2.15	-100.13
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCC(F)C(=O)[O-]	REAL300017816793	0	31	-2.0	-107.55	298.05	3.39	-104.16
COC1=CC=C(F)C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C1OC	REAL300017816814	1	35	-2.0	-112.92	321.05	3.06	-109.86
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C1	REAL300017816815	0	30	-2.0	-95.96	320.26	2.10	-93.86
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=C(I)S1	REAL300017816816	1	24	-2.0	-98.30	281.77	2.91	-95.39
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC=C1OC(F)(F)F	REAL300017816819	0	34	-2.0	-101.58	336.11	4.21	-97.37
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017816824	1	30	-2.0	-111.73	290.65	1.93	-109.80
O=C([O-])C(F)CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017816826	0	28	-2.0	-89.73	295.14	2.76	-86.97
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300017816866	1	30	-2.0	-102.46	293.89	4.43	-98.03
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=C1F	REAL300017816884	0	30	-2.0	-108.37	293.23	3.41	-104.96
O=C([O-])C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=CC(F)=C1F	REAL300017816885	0	30	-2.0	-98.47	303.14	3.75	-94.72
CCN1N=CC(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C1Cl	REAL300017816890	1	30	-2.0	-100.36	302.91	1.64	-98.72
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017816893	0	27	-2.0	-102.87	291.43	3.63	-99.24
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017816894	1	29	-2.0	-98.61	302.63	1.99	-96.62
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CCC(F)C(=O)[O-]	REAL300017816898	0	31	-2.0	-111.86	313.07	3.72	-108.14
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017816901	1	27	-2.0	-99.79	289.16	3.33	-96.46
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])O1	REAL300017816902	1	33	-2.0	-115.63	324.83	-1.00	-116.63
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCCC(F)C(=O)[O-])=C1	REAL300017816914	1	33	-2.0	-90.40	318.21	0.81	-89.59
CCOC(=O)C1=CC(S(=O)(=O)NCCC(F)C(=O)[O-])=N[N-]1	REAL300017816914	1	33	-2.0	-90.43	318.26	0.81	-89.62
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CCC(F)C(=O)[O-]	REAL300017816923	0	31	-2.0	-106.79	312.26	3.96	-102.83
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300017816928	1	30	-2.0	-106.37	292.32	4.38	-101.99
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017816930	0	24	-2.0	-93.87	286.29	2.82	-91.05
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300017816936	1	24	-2.0	-100.65	280.12	2.75	-97.90
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300017816950	1	24	-2.0	-98.50	270.02	2.23	-96.27
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300017816966	1	26	-2.0	-101.42	288.95	0.71	-100.71
O=C([O-])C(F)CCNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017816983	0	37	-2.0	-100.33	337.76	5.55	-94.78
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017816987	1	34	-2.0	-105.03	329.56	3.78	-101.25
CCC1=C(S(=O)(=O)NCCC(F)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017816995	0	33	-2.0	-99.64	316.27	3.56	-96.08
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300017817000	0	40	-2.0	-104.92	345.95	6.38	-98.54
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017817566	1	41	-2.0	-105.37	362.87	2.28	-103.09
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C	REAL300017817733	0	39	-2.0	-93.17	327.91	6.55	-86.62
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017817734	0	36	-2.0	-110.30	336.09	6.64	-103.66
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017817735	0	43	-2.0	-91.54	375.80	4.65	-86.89
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC	REAL300017817736	0	44	-2.0	-105.53	374.51	7.28	-98.25
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC	REAL300017817737	0	43	-2.0	-119.06	365.38	6.73	-112.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1	REAL300017817738	0	43	-2.0	-101.93	362.35	6.02	-95.91
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C	REAL300017817739	0	42	-2.0	-111.13	341.03	7.16	-103.97
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C	REAL300017817740	0	40	-2.0	-99.54	331.42	4.53	-95.01
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1	REAL300017817741	0	44	-2.0	-116.47	376.31	5.86	-110.61
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017817742	0	47	-2.0	-94.02	396.18	7.12	-86.90
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300017817743	0	43	-2.0	-109.16	368.98	7.12	-102.04
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017817744	0	33	-2.0	-100.18	310.99	5.11	-95.07
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300017817745	0	36	-2.0	-106.98	317.27	5.16	-101.82
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017817746	0	42	-2.0	-109.63	360.11	5.93	-103.70
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017817747	0	46	-2.0	-95.95	391.63	7.14	-88.81
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017817748	0	40	-2.0	-94.94	366.44	6.89	-88.05
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1	REAL300017817749	0	43	-2.0	-93.99	363.05	6.88	-87.11
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1	REAL300017817750	0	49	-2.0	-96.00	405.50	7.81	-88.19
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017817751	0	36	-2.0	-91.87	339.29	6.67	-85.20
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017817752	0	36	-2.0	-92.50	335.88	6.76	-85.74
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C	REAL300017817753	0	42	-2.0	-112.54	343.26	7.17	-105.37
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300017817754	0	39	-2.0	-102.17	326.88	6.70	-95.47
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017817755	0	36	-2.0	-98.78	332.91	6.45	-92.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017817756	0	36	-2.0	-97.72	318.02	5.90	-91.82
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017817757	0	36	-2.0	-98.34	325.67	6.44	-91.90
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017817758	0	36	-2.0	-93.31	316.38	5.92	-87.39
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300017817759	0	39	-2.0	-93.03	336.47	6.85	-86.18
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017817760	0	36	-2.0	-93.73	332.32	6.36	-87.37
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017817761	0	36	-2.0	-91.03	329.97	6.28	-84.75
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300017817762	0	39	-2.0	-98.50	338.92	6.69	-91.81
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017817834	0	36	-2.0	-101.29	336.97	6.82	-94.47
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300017817835	0	40	-2.0	-110.89	343.54	6.05	-104.84
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017817836	0	37	-2.0	-100.70	320.16	3.85	-96.85
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017817837	0	40	-2.0	-96.57	350.79	7.36	-89.21
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017817838	0	36	-2.0	-101.57	329.83	6.64	-94.93
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017817839	0	42	-2.0	-95.30	362.91	7.66	-87.64
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017817840	0	36	-2.0	-102.77	321.37	6.12	-96.65
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017817841	0	39	-2.0	-97.25	341.51	6.85	-90.40
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300017817842	0	40	-2.0	-111.63	339.17	5.96	-105.67
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017817843	0	40	-2.0	-96.47	350.41	6.35	-90.12
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017817844	0	40	-2.0	-96.34	357.14	6.50	-89.84
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017817845	0	36	-2.0	-98.74	321.51	6.17	-92.57
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017817846	0	36	-2.0	-90.77	324.36	6.28	-84.49
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300017817847	0	39	-2.0	-125.54	338.31	6.69	-118.85
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017817848	0	44	-2.0	-94.00	383.09	7.48	-86.52
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017817849	0	36	-2.0	-93.49	324.99	6.11	-87.38
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1	REAL300017817850	0	42	-2.0	-120.22	354.77	7.22	-113.00
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017817851	0	38	-2.0	-93.61	346.13	6.83	-86.78
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl	REAL300017817852	0	40	-2.0	-103.58	346.68	6.22	-97.36
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017817853	0	36	-2.0	-90.15	328.10	6.38	-83.77
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1	REAL300017817854	0	39	-2.0	-103.88	342.78	6.81	-97.07
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300017817855	0	39	-2.0	-97.56	334.82	6.60	-90.96
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl	REAL300017817856	0	39	-2.0	-97.11	339.41	6.87	-90.24
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1	REAL300017817857	0	39	-2.0	-101.70	349.17	7.12	-94.58
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C	REAL300017817858	0	39	-2.0	-102.45	336.70	7.03	-95.42
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl	REAL300017817859	0	40	-2.0	-101.00	348.04	6.37	-94.63
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017817860	0	40	-2.0	-98.85	359.50	6.52	-92.33
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017817861	0	38	-2.0	-91.56	336.25	7.81	-83.75
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017817862	0	33	-2.0	-101.94	311.62	5.19	-96.75
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017817863	0	39	-2.0	-99.33	340.14	6.83	-92.50
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017817864	0	38	-2.0	-102.01	338.37	6.98	-95.03
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C	REAL300017817865	0	48	-2.0	-124.77	374.53	8.70	-116.07
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017817866	0	38	-2.0	-100.05	336.02	7.79	-92.26
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300017817867	0	45	-2.0	-100.39	360.62	7.60	-92.79
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1	REAL300017817868	0	39	-2.0	-95.09	345.35	6.89	-88.20
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1	REAL300017817869	0	39	-2.0	-93.88	336.55	6.51	-87.37
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017817870	0	42	-2.0	-124.87	359.01	8.17	-116.70
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017817988	0	36	-2.0	-95.14	330.53	6.12	-89.02
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC	REAL300017817990	0	47	-2.0	-109.47	389.14	6.75	-102.72
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300017817991	0	40	-2.0	-103.25	343.05	6.01	-97.24
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017817992	0	36	-2.0	-112.54	319.17	6.02	-106.52
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017819219	1	36	-2.0	-100.13	325.92	0.53	-99.60
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819298	0	43	-2.0	-118.02	380.11	1.24	-116.78
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819389	0	34	-2.0	-106.93	304.37	5.23	-101.70
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017819390	0	31	-2.0	-120.11	301.18	5.74	-114.37
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017819391	0	38	-2.0	-100.96	341.31	3.82	-97.14
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819392	0	39	-2.0	-96.85	339.45	6.27	-90.58
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819393	0	38	-2.0	-104.11	330.32	5.74	-98.37
COC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1CC(=O)[O-]	REAL300017819394	0	38	-2.0	-106.63	329.66	4.49	-102.14
CC1=CC(C)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017819395	0	37	-2.0	-116.28	313.78	5.70	-110.58
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819396	0	35	-2.0	-113.52	307.79	3.24	-110.28
COC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017819397	0	39	-2.0	-103.65	336.60	4.15	-99.50
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017819398	0	42	-2.0	-95.49	367.08	5.62	-89.87
CCOC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017819399	0	38	-2.0	-111.02	334.07	6.22	-104.80
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017819400	0	28	-2.0	-112.21	291.35	4.73	-107.48
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017819401	0	28	-2.0	-126.67	271.38	3.41	-123.26
CC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017819402	0	31	-2.0	-123.83	285.07	3.60	-120.23
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017819403	0	37	-2.0	-110.83	321.41	4.15	-106.68
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017819404	0	41	-2.0	-97.62	358.97	5.61	-92.01
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017819405	0	35	-2.0	-103.50	326.38	5.18	-98.32
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300017819406	0	41	-2.0	-97.61	368.78	6.10	-91.51
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017819407	0	38	-2.0	-103.66	330.35	5.35	-98.31
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017819408	0	44	-2.0	-101.41	372.79	6.28	-95.13
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017819409	0	31	-2.0	-97.82	312.61	6.10	-91.72
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017819410	0	31	-2.0	-114.31	306.23	5.33	-108.98
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017819411	0	28	-2.0	-105.89	295.16	4.29	-101.60
CC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017819412	0	37	-2.0	-114.46	318.24	5.81	-108.65
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819413	0	34	-2.0	-105.33	299.35	5.28	-100.05
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017819414	0	31	-2.0	-123.19	300.54	4.98	-118.21
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017819415	0	31	-2.0	-121.41	285.65	4.44	-116.97
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819416	0	34	-2.0	-104.18	316.25	5.69	-98.49
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017819417	0	31	-2.0	-99.39	293.90	5.60	-93.79
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017819418	0	31	-2.0	-109.85	283.69	4.41	-105.44
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819419	0	34	-2.0	-107.92	313.13	5.62	-102.30
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017819420	0	31	-2.0	-99.33	305.64	5.78	-93.55
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017819421	0	31	-2.0	-97.19	303.29	5.69	-91.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1F	REAL300017819422	0	34	-2.0	-121.84	308.14	5.16	-116.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1Br	REAL300017819423	0	34	-2.0	-123.31	311.24	5.54	-117.77
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017819488	0	31	-2.0	-103.18	311.39	5.46	-97.72
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819489	0	35	-2.0	-100.79	307.98	4.97	-95.82
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017819490	0	32	-2.0	-133.24	288.03	2.42	-130.82
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017819491	0	35	-2.0	-106.09	316.30	6.53	-99.56
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017819492	0	31	-2.0	-106.12	301.02	5.18	-100.94
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017819493	0	37	-2.0	-103.86	328.41	6.83	-97.03
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017819494	0	31	-2.0	-102.55	284.07	4.29	-98.26
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017819495	0	34	-2.0	-107.44	307.01	6.02	-101.42
COC1=CC=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017819496	0	35	-2.0	-107.37	306.49	4.44	-102.93
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017819497	0	35	-2.0	-103.28	315.92	5.52	-97.76
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017819498	0	35	-2.0	-106.63	316.56	4.70	-101.93
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017819499	0	31	-2.0	-99.21	290.46	5.31	-93.90
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017819500	0	31	-2.0	-105.43	291.67	4.76	-100.67
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819501	0	34	-2.0	-107.35	307.44	5.16	-102.19
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017819502	0	39	-2.0	-103.42	348.58	6.65	-96.77
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017819503	0	31	-2.0	-111.11	294.20	4.59	-106.52
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017819504	0	37	-2.0	-106.16	316.67	5.56	-100.60
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017819505	0	33	-2.0	-96.21	313.13	5.92	-90.29
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300017819506	0	31	-2.0	-119.57	297.67	5.02	-114.55
COC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017819507	0	35	-2.0	-107.15	318.27	4.95	-102.20
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017819508	0	31	-2.0	-104.37	295.40	4.85	-99.52
CC1=C(Br)C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017819509	0	34	-2.0	-100.56	317.10	5.52	-95.04
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819510	0	34	-2.0	-108.38	317.17	5.71	-102.67
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017819511	0	34	-2.0	-132.73	304.07	5.02	-127.71
CC1=CC(F)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017819512	0	34	-2.0	-104.19	303.89	4.93	-99.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1Cl	REAL300017819513	0	34	-2.0	-122.90	309.67	5.45	-117.45
CC1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017819514	0	34	-2.0	-130.11	310.47	5.33	-124.78
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819515	0	34	-2.0	-103.88	311.68	5.59	-98.29
COC1=CC(Cl)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017819516	0	35	-2.0	-127.78	318.30	4.97	-122.81
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017819517	0	35	-2.0	-99.29	329.52	5.56	-93.73
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017819518	0	33	-2.0	-105.06	304.44	6.33	-98.73
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017819519	0	28	-2.0	-110.78	272.54	3.56	-107.22
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017819520	0	34	-2.0	-103.96	301.45	5.13	-98.83
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017819521	0	33	-2.0	-135.40	305.78	5.45	-129.95
CC1=CC(C)=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017819522	0	43	-2.0	-103.73	348.20	7.87	-95.86
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017819523	0	33	-2.0	-114.30	304.37	6.25	-108.05
CC(C)(C)C1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017819524	0	40	-2.0	-102.54	342.38	6.59	-95.95
CC1=C(Cl)C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017819525	0	34	-2.0	-100.43	312.99	5.43	-95.00
CC1=C(F)C=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017819526	0	34	-2.0	-100.39	304.18	5.04	-95.35
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017819527	0	37	-2.0	-142.57	320.14	6.51	-136.06
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017819632	0	31	-2.0	-94.08	294.71	4.36	-89.72
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1OC	REAL300017819634	0	42	-2.0	-106.88	366.54	5.22	-101.66
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819635	0	35	-2.0	-106.00	313.02	5.06	-100.94
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017819636	0	31	-2.0	-111.45	282.24	4.25	-107.20
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017819649	0	33	-3.0	-198.70	307.67	4.93	-193.77
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819650	0	35	-2.0	-114.33	317.67	3.73	-110.60
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017819651	0	31	-3.0	-198.22	294.91	3.23	-194.99
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017819651	1	32	-2.0	-110.69	300.21	2.28	-108.41
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017819652	0	30	-2.0	-116.63	281.06	3.37	-113.26
CC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C(C(=O)[O-])=NN1	REAL300017819653	0	31	-2.0	-116.67	277.35	2.27	-114.40
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC1(C)C(=O)[O-]	REAL300017819654	0	34	-2.0	-113.32	303.54	5.23	-108.09
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017819655	0	28	-2.0	-112.75	281.95	3.42	-109.33
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017819690	0	35	-2.0	-99.96	322.99	4.91	-95.05
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017819696	0	29	-2.0	-102.88	292.45	3.59	-99.29
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017819746	0	31	-2.0	-104.75	290.62	4.53	-100.22
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017819747	0	31	-2.0	-98.79	295.76	5.34	-93.45
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC2(C)C(=O)[O-])=C1	REAL300017819775	1	34	-2.0	-98.43	317.72	1.66	-96.77
CCOC(=O)C1=CC(S(=O)(=O)N2CCC2(C)C(=O)[O-])=N[N-]1	REAL300017819775	1	34	-2.0	-98.48	317.90	1.66	-96.82
CC1(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017819838	0	38	-2.0	-116.04	330.38	7.14	-108.90
CCC1=C(S(=O)(=O)N2CCC2(C)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017819849	0	34	-2.0	-124.34	297.59	3.93	-120.41
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)C(F)=C1	REAL300017834681	1	35	-2.0	-126.64	318.24	3.77	-122.87
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017834696	1	31	-2.0	-125.15	292.33	4.33	-120.82
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834713	0	37	-2.0	-95.17	333.74	5.65	-89.52
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834714	0	34	-2.0	-107.96	328.95	5.42	-102.54
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017834715	0	41	-2.0	-94.97	370.09	3.30	-91.67
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834716	0	42	-2.0	-106.57	365.51	5.87	-100.70
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834717	0	41	-2.0	-105.92	356.35	5.34	-100.58
COC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1CC(=O)[O-]	REAL300017834718	0	41	-2.0	-118.81	363.15	5.06	-113.75
CC1=CC(C)=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C(=O)[O-]	REAL300017834719	0	40	-2.0	-106.11	340.24	6.48	-99.63
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834720	0	38	-2.0	-106.44	333.01	3.99	-102.45
COC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC(C(=O)[O-])=C1OC	REAL300017834721	0	42	-2.0	-106.62	367.91	4.84	-101.78
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)[O-]	REAL300017834722	0	45	-2.0	-95.83	389.60	5.77	-90.06
CCOC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C(=O)[O-]	REAL300017834723	0	41	-2.0	-118.10	361.83	5.90	-112.20
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834724	0	31	-2.0	-97.69	307.64	4.34	-93.35
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834725	0	31	-2.0	-103.20	302.98	3.92	-99.28
CC1=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C(C(=O)[O-])O1	REAL300017834726	0	34	-2.0	-99.33	314.32	4.16	-95.17
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834727	0	40	-2.0	-110.29	354.86	4.70	-105.59
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017834728	0	44	-2.0	-98.99	393.37	5.95	-93.04
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017834729	0	38	-2.0	-95.43	356.67	5.86	-89.57
CC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCC(=O)[O-]	REAL300017834730	0	41	-2.0	-99.50	363.88	5.67	-93.83
CC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC=C1OCCCC(=O)[O-]	REAL300017834731	0	47	-2.0	-98.79	406.32	6.60	-92.19
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834732	0	34	-2.0	-97.83	340.36	5.78	-92.05
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017834733	0	34	-2.0	-96.96	330.54	5.24	-91.72
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017834734	0	31	-2.0	-97.32	321.91	4.28	-93.04
CC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C(C)=C1C(=O)[O-]	REAL300017834735	0	40	-2.0	-104.29	346.95	6.17	-98.12
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834736	0	37	-2.0	-97.18	326.69	5.68	-91.50
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834737	0	34	-2.0	-95.82	330.86	5.65	-90.17
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834738	0	34	-2.0	-94.93	315.97	5.10	-89.83
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017834739	0	34	-2.0	-92.60	311.19	5.09	-87.51
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017834740	0	34	-2.0	-103.10	318.16	4.75	-98.35
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834741	0	37	-2.0	-95.46	342.52	6.05	-89.41
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834742	0	34	-2.0	-100.10	333.39	5.46	-94.64
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834743	0	34	-2.0	-97.37	331.04	5.37	-92.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1F	REAL300017834744	0	37	-2.0	-101.89	331.15	5.31	-96.58
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017834768	1	34	-2.0	-128.86	314.02	4.33	-124.53
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017834815	0	34	-2.0	-97.96	323.67	5.47	-92.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834816	0	38	-2.0	-110.18	334.05	4.57	-105.61
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834817	0	35	-2.0	-113.07	321.50	2.97	-110.10
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017834818	0	38	-2.0	-99.91	345.08	6.00	-93.91
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017834819	0	34	-2.0	-102.70	328.99	5.51	-97.19
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017834820	0	40	-2.0	-98.05	357.19	6.29	-91.76
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017834821	0	34	-2.0	-102.11	311.87	4.49	-97.62
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017834822	0	37	-2.0	-99.07	335.79	5.48	-93.59
COC1=CC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C(=O)[O-]	REAL300017834823	0	38	-2.0	-110.84	339.97	4.99	-105.85
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017834824	0	38	-2.0	-99.14	344.70	4.98	-94.16
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017834825	0	38	-2.0	-96.73	346.86	5.38	-91.35
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)[O-]	REAL300017834826	0	34	-2.0	-92.89	307.79	4.80	-88.09
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017834827	0	34	-2.0	-99.82	326.13	5.11	-94.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834828	0	37	-2.0	-112.57	330.45	5.30	-107.27
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017834829	0	42	-2.0	-97.67	377.37	6.12	-91.55
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017834830	0	34	-2.0	-95.81	318.39	4.54	-91.27
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017834830	1	33	-3.0	-188.53	320.47	4.87	-183.66
CC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC(C(=O)[O-])=C1C	REAL300017834831	0	40	-2.0	-108.29	349.19	6.10	-102.19
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017834832	0	36	-2.0	-93.46	337.76	5.70	-87.76
COC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C(Cl)C=C1C(=O)[O-]	REAL300017834833	0	38	-2.0	-101.45	342.40	4.85	-96.60
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017834834	0	34	-2.0	-99.06	329.86	5.21	-93.85
CC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC(C(=O)[O-])=C1F	REAL300017834835	0	37	-2.0	-112.63	337.52	5.58	-107.05
CC1=CC(F)=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C(=O)[O-]	REAL300017834836	0	37	-2.0	-102.29	326.57	5.01	-97.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1Cl	REAL300017834837	0	37	-2.0	-102.01	332.91	5.56	-96.45
CC1=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=CC(C(=O)[O-])=C1Cl	REAL300017834838	0	37	-2.0	-109.87	343.91	5.88	-103.99
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834839	0	37	-2.0	-94.64	337.59	6.06	-88.58
COC1=CC(Cl)=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C(=O)[O-]	REAL300017834840	0	38	-2.0	-107.84	342.43	4.86	-102.98
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F)C(=O)[O-]	REAL300017834841	0	38	-2.0	-98.51	349.66	5.26	-93.25
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017834842	0	36	-2.0	-93.89	327.02	6.55	-87.34
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017834843	0	31	-2.0	-98.41	305.87	3.87	-94.54
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017834844	0	37	-2.0	-100.89	334.85	5.70	-95.19
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834845	0	36	-2.0	-109.79	337.89	5.98	-103.81
CC1=CC(C)=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C(C)=C1CC(=O)[O-]	REAL300017834846	0	46	-2.0	-106.93	376.80	7.75	-99.18
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(=O)[O-]	REAL300017834847	0	36	-2.0	-111.36	334.82	6.70	-104.66
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834848	0	43	-2.0	-102.01	361.53	6.61	-95.40
CC1=C(Cl)C=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C(=O)[O-]	REAL300017834849	0	37	-2.0	-96.61	343.30	6.10	-90.51
CC1=C(F)C=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C1C(=O)[O-]	REAL300017834850	0	37	-2.0	-95.50	334.51	5.71	-89.79
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834851	0	40	-2.0	-118.58	353.37	7.11	-111.47
COC(=O)C1=COC(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834858	1	34	-2.0	-122.80	320.42	2.95	-119.85
COC(=O)C1=C(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)SC=N1	REAL300017834890	0	33	-2.0	-130.03	320.70	1.97	-128.06
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017834900	1	31	-2.0	-126.31	296.32	4.99	-121.32
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017834905	1	30	-2.0	-119.17	299.50	3.65	-115.52
CC1=NC(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)=C(Br)N1C	REAL300017834937	1	34	-2.0	-132.63	324.89	3.39	-129.24
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017834958	0	33	-2.0	-135.58	308.62	3.09	-132.49
COC1=CC=C(Br)C(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1F	REAL300017834963	1	35	-2.0	-130.31	329.20	4.43	-125.88
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017834968	0	34	-2.0	-95.39	322.53	4.57	-90.82
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017834968	1	33	-3.0	-184.56	325.14	4.90	-179.66
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1OC	REAL300017834970	0	45	-2.0	-113.07	383.84	5.27	-107.80
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834971	0	38	-2.0	-101.78	333.16	4.76	-97.02
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017834972	0	34	-2.0	-108.60	309.99	4.45	-104.15
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834987	0	36	-3.0	-180.01	341.08	5.49	-174.52
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300017834988	0	38	-2.0	-117.60	342.10	3.82	-113.78
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300017834989	0	34	-3.0	-180.72	312.03	3.36	-177.36
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(=O)[O-]	REAL300017834989	1	35	-2.0	-101.61	323.63	2.30	-99.31
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(=O)[O-]	REAL300017834990	0	33	-2.0	-101.41	305.79	3.15	-98.26
CC1=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C(C(=O)[O-])=NN1	REAL300017834991	0	34	-2.0	-126.40	305.64	2.59	-123.81
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834992	0	37	-2.0	-104.44	328.76	5.98	-98.46
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017834993	0	31	-2.0	-98.48	305.45	3.34	-95.14
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017834996	0	28	-2.0	-120.32	284.36	2.78	-117.54
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300017839157	1	30	-2.0	-106.46	316.80	4.84	-101.62
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300017839162	1	35	-2.0	-120.85	346.00	5.06	-115.79
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	1	35	-2.0	-112.37	328.63	3.26	-109.11
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300017839203	1	35	-2.0	-120.14	335.68	4.62	-115.52
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C2	REAL300017839244	1	29	-2.0	-106.67	304.45	5.40	-101.27
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300017839275	1	32	-2.0	-111.24	310.39	2.66	-108.58
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C2	REAL300017839277	0	31	-2.0	-128.04	296.88	5.61	-122.43
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C2	REAL300017839280	1	29	-2.0	-118.02	290.48	4.82	-113.20
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C2	REAL300017839288	0	31	-2.0	-118.48	320.60	6.56	-111.92
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300017839301	1	35	-2.0	-111.59	332.26	3.59	-108.00
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C2	REAL300017839306	1	32	-2.0	-117.17	309.28	6.01	-111.16
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C2	REAL300017839307	1	31	-2.0	-113.96	313.25	6.11	-107.85
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C2	REAL300017839310	1	26	-2.0	-112.30	280.62	3.56	-108.74
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C2	REAL300017839315	1	28	-2.0	-108.27	300.79	3.18	-105.09
CCN1C=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C([N+](=O)[O-])=N1	REAL300017839319	1	34	-2.0	-125.29	321.16	4.76	-120.53
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C2	REAL300017839320	1	31	-2.0	-129.35	304.25	5.26	-124.09
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C2	REAL300017839323	1	31	-2.0	-120.84	312.09	6.05	-114.79
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300017839325	1	37	-2.0	-98.00	342.61	0.74	-97.26
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C2	REAL300017839342	1	31	-2.0	-123.17	305.48	6.12	-117.05
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(=O)NC1=O	REAL300017839364	1	47	-2.0	-123.27	407.07	4.63	-118.64
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C2	REAL300017839370	1	26	-2.0	-110.95	275.24	2.60	-108.35
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C2	REAL300017839372	1	26	-2.0	-106.86	298.44	4.12	-102.74
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	0	30	-2.0	-112.14	300.46	4.56	-107.58
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C2	REAL300017839406	1	28	-2.0	-103.50	296.56	3.08	-100.42
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C2	REAL300017839430	1	29	-2.0	-109.34	312.44	5.02	-104.32
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C2	REAL300017839433	1	29	-2.0	-109.53	306.02	5.00	-104.53
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300017839462	1	33	-2.0	-118.47	309.15	3.45	-115.02
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C2	REAL300017839476	1	29	-2.0	-121.37	282.64	4.00	-117.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839493	0	35	-2.0	-97.24	322.60	5.56	-91.68
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300017839494	0	32	-2.0	-109.22	318.98	5.23	-103.99
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839495	0	39	-2.0	-97.19	359.44	3.33	-93.86
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839496	0	40	-2.0	-103.25	362.79	5.81	-97.44
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839497	0	39	-2.0	-102.65	353.64	5.28	-97.37
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1CC(=O)[O-]	REAL300017839498	0	39	-2.0	-118.75	353.21	4.87	-113.88
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)[O-]	REAL300017839499	0	38	-2.0	-103.55	337.53	6.28	-97.27
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839500	0	36	-2.0	-102.95	326.17	3.67	-99.28
COC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(C(=O)[O-])=C1OC	REAL300017839501	0	40	-2.0	-105.14	361.29	4.55	-100.59
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)C1	REAL300017839502	0	43	-2.0	-95.82	380.00	5.81	-90.01
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)[O-]	REAL300017839503	0	39	-2.0	-118.87	351.88	5.72	-113.15
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Br)S1	REAL300017839504	0	29	-2.0	-95.88	313.47	4.50	-91.38
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CS1	REAL300017839505	0	29	-2.0	-102.47	294.68	3.78	-98.69
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C(C(=O)[O-])O1	REAL300017839506	0	32	-2.0	-106.68	291.28	3.35	-103.33
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC2=C1OCCO2	REAL300017839507	0	38	-2.0	-115.16	345.14	4.52	-110.64
O=C([O-])CCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300017839508	0	42	-2.0	-102.24	382.47	5.99	-96.25
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300017839509	0	36	-2.0	-101.38	350.07	5.56	-95.82
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCC(=O)[O-]	REAL300017839510	0	39	-2.0	-101.39	353.88	5.73	-95.66
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OCCCC(=O)[O-]	REAL300017839511	0	45	-2.0	-101.49	396.33	6.66	-94.83
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(Cl)=C1Cl	REAL300017839512	0	32	-2.0	-96.64	330.65	5.59	-91.05
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839513	0	32	-2.0	-93.19	331.64	5.75	-87.44
O=C([O-])C1=CC(Br)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300017839514	0	29	-2.0	-98.09	306.24	4.23	-93.86
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1C(=O)[O-]	REAL300017839515	0	38	-2.0	-115.96	337.12	6.14	-109.82
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839516	0	35	-2.0	-101.94	317.37	5.52	-96.42
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839517	0	32	-2.0	-97.99	324.26	5.35	-92.64
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839518	0	32	-2.0	-97.61	309.38	4.80	-92.81
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Cl)=C1	REAL300017839519	0	32	-2.0	-95.40	316.47	5.29	-90.11
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300017839520	0	32	-2.0	-104.20	307.48	4.78	-99.42
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839521	0	35	-2.0	-97.52	331.72	5.96	-91.56
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(Cl)=C1F	REAL300017839522	0	32	-2.0	-99.18	323.68	5.28	-93.90
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(F)=C1Cl	REAL300017839523	0	32	-2.0	-96.46	321.33	5.18	-91.28
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300017839524	0	35	-2.0	-101.94	320.96	5.12	-96.82
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC3=CC=CC=C3O1)C2	REAL300017839548	1	32	-2.0	-120.21	300.94	4.28	-115.93
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Cl)C=C1Cl	REAL300017839593	0	32	-2.0	-94.63	329.03	5.68	-88.95
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839594	0	36	-2.0	-103.23	331.64	4.48	-98.75
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1O	REAL300017839595	0	33	-2.0	-114.04	311.54	2.79	-111.25
O=C([O-])C=CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839596	0	36	-2.0	-101.61	334.43	6.04	-95.57
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839597	0	32	-2.0	-97.12	319.54	5.49	-91.63
O=C([O-])CCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839598	0	38	-2.0	-99.47	346.55	6.33	-93.14
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839599	0	32	-2.0	-101.78	300.82	4.50	-97.28
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839600	0	35	-2.0	-99.76	325.15	5.52	-94.24
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)[O-]	REAL300017839601	0	36	-2.0	-118.44	330.02	4.81	-113.63
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839602	0	36	-2.0	-100.55	334.05	5.02	-95.53
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300017839603	0	36	-2.0	-103.47	340.26	5.08	-98.39
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300017839604	0	32	-2.0	-97.44	300.72	4.51	-92.93
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300017839605	0	32	-2.0	-100.64	315.46	5.15	-95.49
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839606	0	35	-2.0	-108.93	320.37	5.14	-103.79
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300017839607	0	40	-2.0	-99.96	366.71	6.16	-93.80
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839608	0	32	-2.0	-95.43	307.02	4.56	-90.87
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839608	1	31	-3.0	-174.70	311.07	4.56	-170.14
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(C(=O)[O-])=C1C	REAL300017839609	0	38	-2.0	-103.51	335.84	5.80	-97.71
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839610	0	34	-2.0	-100.31	331.18	5.40	-94.91
COC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Cl)C=C1C(=O)[O-]	REAL300017839611	0	36	-2.0	-103.84	343.44	5.38	-98.46
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300017839612	0	32	-2.0	-99.74	319.19	5.24	-94.50
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(C(=O)[O-])=C1F	REAL300017839613	0	35	-2.0	-104.51	327.81	5.40	-99.11
CC1=CC(F)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)[O-]	REAL300017839614	0	35	-2.0	-103.20	320.58	5.13	-98.07
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300017839615	0	35	-2.0	-97.67	334.76	5.91	-91.76
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(C(=O)[O-])=C1Cl	REAL300017839616	0	35	-2.0	-101.64	334.20	5.69	-95.95
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839617	0	35	-2.0	-104.98	328.64	5.99	-98.99
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)[O-]	REAL300017839618	0	36	-2.0	-102.84	343.77	5.37	-97.47
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(OC(F)(F)F)=C1	REAL300017839619	0	36	-2.0	-96.31	348.16	5.00	-91.31
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C([N+](=O)[O-])=C1	REAL300017839620	0	34	-2.0	-102.20	320.00	6.23	-95.97
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300017839621	0	29	-2.0	-99.81	294.99	3.87	-95.94
O=C([O-])CC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839622	0	35	-2.0	-106.13	325.19	5.51	-100.62
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1[N+](=O)[O-]	REAL300017839623	0	34	-2.0	-113.31	326.99	5.86	-107.45
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1CC(=O)[O-]	REAL300017839624	0	44	-2.0	-100.50	365.11	7.51	-92.99
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1[N+](=O)[O-]	REAL300017839625	0	34	-2.0	-121.84	325.25	6.54	-115.30
CC(C)(C)C1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C(C(=O)[O-])S1	REAL300017839626	0	41	-2.0	-115.31	349.90	6.36	-108.95
CC1=C(Cl)C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)[O-]	REAL300017839627	0	35	-2.0	-97.37	332.82	5.70	-91.67
CC1=C(F)C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)[O-]	REAL300017839628	0	35	-2.0	-105.44	328.21	5.42	-100.02
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC2=CC=CC=C21	REAL300017839629	0	38	-2.0	-109.76	344.06	6.87	-102.89
COC(=O)C1=COC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839637	1	32	-2.0	-113.23	311.02	2.61	-110.62
COC(=O)C1=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC=N1	REAL300017839668	0	31	-2.0	-117.31	306.30	2.22	-115.09
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C2	REAL300017839677	1	29	-2.0	-119.15	286.90	4.68	-114.47
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C2	REAL300017839681	1	28	-2.0	-113.09	289.86	3.32	-109.77
CC1=NC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Br)N1C	REAL300017839713	1	32	-2.0	-125.35	312.35	3.36	-121.99
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300017839733	0	31	-2.0	-126.22	298.27	2.87	-123.35
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300017839738	1	33	-2.0	-123.76	319.82	4.12	-119.64
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C(F)=C1F	REAL300017839743	0	32	-2.0	-96.37	311.16	4.58	-91.79
O=C([O-])C1=CC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C(F)=C1F	REAL300017839743	1	31	-3.0	-170.71	315.50	4.58	-166.13
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1OC	REAL300017839745	0	43	-2.0	-104.69	382.03	5.32	-99.37
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839746	0	36	-2.0	-98.36	331.67	4.50	-93.86
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300017839747	0	32	-2.0	-108.75	298.93	4.45	-104.30
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839762	0	34	-3.0	-176.58	331.14	5.31	-171.27
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839763	0	36	-2.0	-115.65	331.72	3.85	-111.80
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839764	0	32	-3.0	-175.80	309.36	3.27	-172.53
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839764	1	33	-2.0	-101.55	312.57	2.46	-99.09
O=C([O-])C1=CC=NC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839765	0	31	-2.0	-105.27	298.96	2.87	-102.40
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C(=O)[O-])=NN1	REAL300017839766	0	32	-2.0	-122.60	294.64	2.60	-120.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839767	0	35	-2.0	-102.74	322.29	5.66	-97.08
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Cl)O1	REAL300017839768	0	29	-2.0	-98.47	292.09	3.29	-95.18
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C2	REAL300017839771	0	26	-2.0	-113.38	272.61	2.56	-110.82
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839783	1	33	-2.0	-117.56	310.83	4.55	-113.01
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839806	0	32	-2.0	-108.07	329.82	3.26	-104.81
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1OC(F)(F)F	REAL300017839810	0	36	-2.0	-110.20	346.52	5.29	-104.91
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=CC3=C1OCO3)C2	REAL300017839815	1	32	-2.0	-122.82	300.59	3.11	-119.71
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300017839817	0	30	-2.0	-91.42	304.94	3.88	-87.54
O=C([O-])C1=C(F)C=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300017839877	0	32	-2.0	-109.56	303.42	4.49	-105.07
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(F)=C1F	REAL300017839878	0	32	-2.0	-99.18	313.79	4.84	-94.34
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C2	REAL300017839886	0	29	-2.0	-114.01	300.96	4.78	-109.23
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C2	REAL300017839887	1	31	-2.0	-112.14	311.84	3.15	-108.99
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839891	1	33	-2.0	-120.50	322.67	4.88	-115.62
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C2	REAL300017839894	1	29	-2.0	-112.62	298.36	4.49	-108.13
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300017839907	1	35	-2.0	-97.76	331.23	1.84	-95.92
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N[N-]1	REAL300017839907	1	35	-2.0	-97.70	331.33	1.85	-95.85
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839917	1	33	-2.0	-117.22	325.02	5.12	-112.10
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C2	REAL300017839924	1	26	-2.0	-104.11	296.23	3.99	-100.12
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C2	REAL300017839931	1	26	-2.0	-111.29	286.19	4.05	-107.24
O=C([O-])C1CC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C1	REAL300017839981	0	39	-2.0	-104.02	347.49	6.61	-97.41
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)N(C3=CC=CC=C3)N=C1)C2	REAL300017839985	1	36	-2.0	-116.93	338.80	4.94	-111.99
CCC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C(C(=O)[O-])O1	REAL300017839993	0	35	-2.0	-99.86	327.33	4.65	-95.21
CCN1C=C(S(=O)(=O)N2CCC(C3CCCC3C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017839999	0	51	-2.0	-127.22	411.41	8.78	-118.44
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017859974	1	34	-2.0	-95.77	325.18	4.90	-90.87
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1F	REAL300017859980	1	39	-2.0	-106.72	354.33	5.12	-101.60
COC1=CC(F)=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C(F)=C1	REAL300017860276	1	37	-2.0	-107.60	317.20	3.51	-104.09
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300017860288	1	32	-2.0	-97.63	304.36	3.07	-94.56
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017860292	1	33	-2.0	-107.39	291.00	4.05	-103.34
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860309	0	39	-2.0	-95.44	324.69	5.12	-90.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017860310	0	36	-2.0	-100.59	318.88	4.69	-95.90
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017860311	0	43	-2.0	-93.14	359.60	2.82	-90.32
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860312	0	44	-2.0	-100.94	365.41	5.30	-95.64
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860313	0	43	-2.0	-101.81	356.24	4.78	-97.03
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1CC(=O)[O-]	REAL300017860314	0	43	-2.0	-109.23	354.33	4.35	-104.88
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)[O-]	REAL300017860315	0	42	-2.0	-100.93	335.87	5.63	-95.30
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860316	0	40	-2.0	-102.65	328.29	3.12	-99.53
COC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017860317	0	44	-2.0	-102.99	362.24	4.04	-98.95
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017860318	0	47	-2.0	-93.30	378.50	5.22	-88.08
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)[O-]	REAL300017860319	0	43	-2.0	-107.56	351.78	5.18	-102.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300017860320	0	33	-2.0	-101.50	294.24	3.30	-98.20
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017860321	0	36	-2.0	-98.83	307.71	3.43	-95.40
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017860322	0	42	-2.0	-108.19	345.98	4.00	-104.19
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017860323	0	46	-2.0	-97.81	382.83	5.48	-92.33
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017860324	0	40	-2.0	-95.95	349.73	5.03	-90.92
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017860325	0	43	-2.0	-96.15	354.25	5.22	-90.93
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017860326	0	49	-2.0	-96.49	396.70	6.15	-90.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017860327	0	36	-2.0	-94.34	331.74	5.08	-89.26
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017860328	0	36	-2.0	-91.29	332.68	5.34	-85.95
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017860329	0	42	-2.0	-106.03	338.90	5.74	-100.29
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860330	0	39	-2.0	-96.21	321.00	5.20	-91.01
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017860331	0	36	-2.0	-98.33	325.28	4.82	-93.51
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017860332	0	36	-2.0	-97.80	310.39	4.28	-93.52
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017860333	0	36	-2.0	-93.27	317.86	4.93	-88.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017860334	0	36	-2.0	-98.18	307.65	4.27	-93.91
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860335	0	39	-2.0	-96.10	333.74	5.47	-90.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017860336	0	36	-2.0	-96.91	324.77	4.76	-92.15
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017860337	0	36	-2.0	-94.10	322.42	4.67	-89.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1F	REAL300017860338	0	39	-2.0	-95.68	331.36	5.07	-90.61
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017860362	1	36	-2.0	-108.10	308.97	4.33	-103.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017860410	0	36	-2.0	-92.81	330.04	5.24	-87.57
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860411	0	40	-2.0	-101.29	333.93	3.99	-97.30
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017860412	0	37	-2.0	-102.72	311.94	2.28	-100.44
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017860413	0	40	-2.0	-97.59	334.60	5.53	-92.06
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017860414	0	36	-2.0	-95.06	320.87	5.06	-90.00
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017860415	0	42	-2.0	-95.26	347.60	5.81	-89.45
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017860416	0	36	-2.0	-95.29	311.23	4.38	-90.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017860417	0	39	-2.0	-95.63	326.20	5.00	-90.63
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)[O-]	REAL300017860418	0	40	-2.0	-109.51	330.43	4.30	-105.21
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017860419	0	40	-2.0	-95.93	334.19	4.52	-91.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017860420	0	40	-2.0	-97.67	339.93	4.55	-93.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017860421	0	36	-2.0	-93.73	311.06	4.44	-89.29
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017860422	0	36	-2.0	-94.89	315.62	4.63	-90.26
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860423	0	39	-2.0	-108.25	330.76	5.02	-103.23
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017860424	0	44	-2.0	-95.87	367.57	5.64	-90.23
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017860425	0	36	-2.0	-90.42	317.50	4.43	-85.99
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017860425	1	35	-3.0	-164.28	319.43	4.63	-159.65
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017860426	0	42	-2.0	-103.40	340.56	5.42	-97.98
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017860427	0	38	-2.0	-94.23	332.18	4.89	-89.34
COC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017860428	0	40	-2.0	-98.76	344.46	4.92	-93.84
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017860429	0	36	-2.0	-94.18	319.36	4.73	-89.45
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017860430	0	39	-2.0	-102.85	327.96	4.88	-97.97
CC1=CC(F)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)[O-]	REAL300017860431	0	39	-2.0	-95.01	327.51	4.99	-90.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1Cl	REAL300017860432	0	39	-2.0	-95.95	336.59	5.50	-90.45
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017860433	0	39	-2.0	-99.82	334.34	5.19	-94.63
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860434	0	39	-2.0	-96.49	331.18	5.45	-91.04
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)[O-]	REAL300017860435	0	40	-2.0	-100.67	345.17	5.00	-95.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017860436	0	40	-2.0	-94.61	350.15	4.60	-90.01
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017860437	0	38	-2.0	-94.20	321.67	5.70	-88.50
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017860438	0	33	-2.0	-95.86	294.77	3.29	-92.57
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017860439	0	39	-2.0	-99.78	326.46	5.09	-94.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017860440	0	38	-2.0	-107.67	329.98	5.31	-102.36
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017860441	0	48	-2.0	-100.61	366.11	7.10	-93.51
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017860442	0	38	-2.0	-111.99	329.09	6.18	-105.81
CC(C)(C)C1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017860443	0	45	-2.0	-107.02	354.98	6.12	-100.90
CC1=C(Cl)C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)[O-]	REAL300017860444	0	39	-2.0	-96.45	337.14	5.29	-91.16
CC1=C(F)C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)[O-]	REAL300017860445	0	39	-2.0	-95.89	328.42	4.90	-90.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017860446	0	42	-2.0	-106.51	344.61	6.35	-100.16
COC(=O)C1=COC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1	REAL300017860453	1	36	-2.0	-103.87	319.09	2.67	-101.20
COC(=O)C1=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])SC=N1	REAL300017860485	0	35	-2.0	-109.39	319.39	1.69	-107.70
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017860495	1	33	-2.0	-108.55	295.26	4.73	-103.82
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017860500	1	32	-2.0	-101.84	298.19	3.37	-98.47
CC1=NC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C(Br)N1C	REAL300017860532	1	36	-2.0	-112.92	320.68	3.42	-109.50
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=N1	REAL300017860553	0	35	-2.0	-116.92	307.55	2.80	-114.12
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1F	REAL300017860558	1	37	-2.0	-110.31	328.16	4.18	-106.13
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017860564	0	36	-2.0	-90.92	321.89	4.46	-86.46
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017860564	1	35	-3.0	-160.80	323.83	4.65	-156.15
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1OC	REAL300017860566	0	47	-2.0	-100.39	383.39	4.96	-95.43
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860567	0	40	-2.0	-96.87	333.80	4.05	-92.82
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017860568	0	36	-2.0	-107.17	309.25	4.40	-102.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017860583	0	38	-3.0	-170.73	332.35	4.77	-165.96
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860584	0	40	-2.0	-105.12	334.69	3.34	-101.78
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017860585	0	36	-3.0	-169.49	311.91	2.74	-166.75
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017860585	1	37	-2.0	-99.96	315.46	1.89	-98.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017860586	0	35	-2.0	-95.27	300.26	2.93	-92.34
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C(=O)[O-])=NN1	REAL300017860587	0	36	-2.0	-111.83	296.55	1.94	-109.89
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017860588	0	39	-2.0	-101.99	324.08	5.11	-96.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017860589	0	33	-2.0	-93.15	305.95	3.30	-89.85
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017860592	0	30	-2.0	-102.69	280.97	2.61	-100.08
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300017860603	1	37	-2.0	-105.92	319.19	4.56	-101.36
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1	REAL300017860626	0	36	-2.0	-97.02	337.84	3.31	-93.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017860629	0	40	-2.0	-101.75	346.93	4.78	-96.97
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017860634	1	36	-2.0	-111.16	308.64	3.11	-108.05
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017860636	0	34	-2.0	-90.85	316.15	3.31	-87.54
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017860695	0	36	-2.0	-108.78	313.72	4.38	-104.40
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017860696	0	36	-2.0	-96.97	314.81	4.31	-92.66
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017860705	0	33	-2.0	-103.03	309.02	4.84	-98.19
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017860706	1	35	-2.0	-99.43	320.22	3.20	-96.23
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300017860710	1	37	-2.0	-111.34	331.04	4.91	-106.43
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017860713	1	33	-2.0	-99.70	306.74	4.54	-95.16
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017860726	1	39	-2.0	-91.17	332.60	1.58	-89.59
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=N[N-]1	REAL300017860726	1	39	-2.0	-91.17	332.78	1.59	-89.58
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300017860738	1	37	-2.0	-105.24	333.34	5.14	-100.10
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017860746	1	30	-2.0	-94.20	304.29	4.03	-90.17
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017860806	0	43	-2.0	-105.50	349.46	6.11	-99.39
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017860810	1	40	-2.0	-105.66	347.15	4.99	-100.67
CCC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017860819	0	39	-2.0	-98.12	329.99	4.27	-93.85
CCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017860825	0	35	-2.0	-121.24	315.60	4.02	-117.22
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860826	0	40	-2.0	-112.01	339.44	6.29	-105.72
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)CC1	REAL300017860827	0	41	-2.0	-113.93	343.30	6.91	-107.02
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)CC1	REAL300017860828	0	38	-2.0	-109.22	321.11	5.79	-103.43
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)CC1	REAL300017860830	0	31	-2.0	-109.42	282.73	4.38	-105.04
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300017860831	0	31	-2.0	-116.93	299.56	4.27	-112.66
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017860832	0	34	-2.0	-119.83	302.59	4.54	-115.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1C	REAL300017860833	0	37	-2.0	-113.72	319.92	5.63	-108.09
O=C([O-])CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)S1	REAL300017860834	0	31	-2.0	-101.47	299.18	4.12	-97.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860835	0	34	-2.0	-111.52	301.34	5.01	-106.51
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300017860836	0	28	-2.0	-116.31	278.64	3.37	-112.94
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860837	0	37	-2.0	-110.25	311.70	5.82	-104.43
CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017860838	0	32	-2.0	-119.61	294.08	3.15	-116.46
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017860839	0	31	-2.0	-106.68	295.39	3.61	-103.07
CC1=C(C(=O)[O-])C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(C)O1	REAL300017860840	0	34	-2.0	-130.07	299.53	4.17	-125.90
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)CC1	REAL300017860841	0	31	-2.0	-108.61	287.10	4.39	-104.22
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017860842	0	34	-2.0	-99.11	297.36	4.79	-94.32
CCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017860843	0	37	-2.0	-120.97	320.06	5.23	-115.74
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1C(=O)[O-]	REAL300017860844	0	34	-2.0	-105.81	302.58	4.57	-101.24
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300017860845	0	31	-2.0	-90.96	291.66	4.79	-86.17
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)CC1	REAL300017860846	0	34	-2.0	-101.95	316.18	4.88	-97.07
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)C(=O)N(C)C1=O	REAL300017860852	1	34	-2.0	-117.79	307.66	2.33	-115.46
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300017860870	1	31	-2.0	-115.74	296.14	2.29	-113.45
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CC1	REAL300017860871	1	30	-2.0	-118.91	301.72	5.30	-113.61
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CC1	REAL300017860894	1	28	-2.0	-117.69	278.72	3.64	-114.05
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300017860933	1	31	-2.0	-118.93	296.34	3.97	-114.96
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300017860934	1	31	-2.0	-130.35	312.40	5.42	-124.93
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(F)=C1	REAL300017860935	1	42	-2.0	-103.46	363.45	2.08	-101.38
CC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)C(F)=C1	REAL300017860965	1	31	-2.0	-130.60	288.20	4.23	-126.37
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CC1	REAL300017860970	1	28	-2.0	-120.05	282.87	4.05	-116.00
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)S1	REAL300017860975	1	31	-2.0	-97.50	300.57	-0.13	-97.63
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C(C(=O)[O-])S1	REAL300017860976	0	31	-2.0	-107.22	295.12	4.07	-103.15
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CC1	REAL300017860993	1	25	-2.0	-109.74	283.28	3.63	-106.11
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1	REAL300017861000	1	34	-2.0	-134.81	314.77	1.95	-132.86
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)C=C1Br	REAL300017861175	1	29	-2.0	-109.64	306.62	4.42	-105.22
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)=C1F	REAL300017861179	1	34	-2.0	-118.63	335.55	4.66	-113.97
NC(=O)C1=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)=C(F)C=C1Br	REAL300017861195	1	32	-2.0	-116.90	315.35	0.66	-116.24
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)O1	REAL300017861202	1	34	-2.0	-117.57	317.60	2.88	-114.69
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)=C1F	REAL300017861218	1	34	-2.0	-118.14	325.23	4.22	-113.92
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)CC1	REAL300017861263	1	28	-2.0	-109.51	293.88	5.00	-104.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)O1	REAL300017861291	1	31	-2.0	-116.27	299.71	2.30	-113.97
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC1	REAL300017861292	0	30	-2.0	-137.59	283.88	5.46	-132.13
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CC1	REAL300017861295	1	28	-2.0	-125.26	278.43	4.14	-121.12
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300017861303	0	30	-2.0	-114.40	311.08	6.08	-108.32
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)O1	REAL300017861316	1	34	-2.0	-116.74	321.57	3.23	-113.51
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CC1	REAL300017861320	1	31	-2.0	-117.77	295.07	5.56	-112.21
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])CC1	REAL300017861321	1	30	-2.0	-117.54	300.07	5.53	-112.01
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)C=CS2)CC1	REAL300017861324	1	25	-2.0	-119.61	267.30	2.96	-116.65
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CC1	REAL300017861329	1	27	-2.0	-114.29	286.57	2.74	-111.55
CCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300017861333	1	33	-2.0	-121.70	307.75	4.30	-117.40
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CC1	REAL300017861334	1	30	-2.0	-122.40	293.79	4.87	-117.53
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])CC1	REAL300017861337	1	30	-2.0	-120.15	303.13	5.60	-114.55
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(F)=C1	REAL300017861339	1	36	-2.0	-102.42	320.49	0.40	-102.02
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CC1	REAL300017861357	1	30	-2.0	-125.13	294.34	5.58	-119.55
CCCCCCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)C(=O)NC1=O	REAL300017861378	1	46	-2.0	-127.75	396.88	4.21	-123.54
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300017861384	1	25	-2.0	-116.12	264.54	2.23	-113.89
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)CC1	REAL300017861386	1	25	-2.0	-109.81	287.91	3.73	-106.08
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)C(F)=C1	REAL300017861402	0	29	-2.0	-118.85	287.57	3.94	-114.91
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861418	0	43	-2.0	-107.44	363.52	0.43	-107.01
O=C([O-])CC1([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CC1	REAL300017861420	1	27	-2.0	-110.20	282.64	2.64	-107.56
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)CC1	REAL300017861442	1	28	-2.0	-116.67	300.71	4.32	-112.35
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CC1	REAL300017861445	1	28	-2.0	-108.09	292.60	4.57	-103.52
COC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)C(F)=C1	REAL300017861475	1	32	-2.0	-126.56	296.26	2.85	-123.71
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)CC1	REAL300017861486	1	27	-2.0	-114.79	282.10	2.57	-112.22
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861509	0	34	-2.0	-102.05	309.12	5.03	-97.02
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)CC1	REAL300017861510	0	31	-2.0	-116.12	303.30	4.38	-111.74
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861511	0	38	-2.0	-96.31	343.52	2.48	-93.83
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861512	0	39	-2.0	-109.30	329.55	5.56	-103.74
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861513	0	38	-2.0	-109.70	332.88	4.89	-104.81
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1CC(=O)[O-]	REAL300017861514	0	38	-2.0	-105.74	337.53	4.01	-101.73
CC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017861515	0	37	-2.0	-111.92	319.83	5.55	-106.37
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861516	0	35	-2.0	-112.15	310.11	3.05	-109.10
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC(C(=O)[O-])=C1OC	REAL300017861517	0	39	-2.0	-103.64	348.61	4.08	-99.56
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)CC1	REAL300017861518	0	42	-2.0	-99.83	363.61	4.82	-95.01
CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017861519	0	38	-2.0	-114.95	336.20	4.86	-110.09
O=C([O-])CC1(NS(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)CC1	REAL300017861520	0	28	-2.0	-107.36	278.17	3.65	-103.71
O=C([O-])CC1(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)CC1	REAL300017861521	0	28	-2.0	-104.77	278.48	2.74	-102.03
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C(C(=O)[O-])O1	REAL300017861522	0	31	-2.0	-113.39	269.44	2.87	-110.52
O=C([O-])CC1(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)CC1	REAL300017861523	0	37	-2.0	-113.06	331.42	4.02	-109.04
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300017861524	0	41	-2.0	-101.37	366.81	5.14	-96.23
O=C([O-])COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300017861525	0	35	-2.0	-98.98	333.11	4.90	-94.08
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300017861526	0	41	-2.0	-99.52	376.62	5.63	-93.89
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1OCC(=O)[O-]	REAL300017861527	0	38	-2.0	-102.60	338.21	4.88	-97.72
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1OCCCC(=O)[O-]	REAL300017861528	0	44	-2.0	-98.87	379.66	5.99	-92.88
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300017861529	0	31	-2.0	-111.22	314.78	4.73	-106.49
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)CC1	REAL300017861530	0	31	-2.0	-101.45	300.07	4.49	-96.96
O=C([O-])CC1(NS(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)CC1	REAL300017861531	0	28	-2.0	-103.43	295.79	3.72	-99.71
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1C(=O)[O-]	REAL300017861532	0	37	-2.0	-104.63	320.05	5.61	-99.02
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861533	0	34	-2.0	-97.37	304.54	4.92	-92.45
O=C([O-])CC1(NS(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300017861534	0	31	-2.0	-102.89	311.37	4.87	-98.02
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)CC1	REAL300017861535	0	31	-2.0	-101.82	296.49	4.32	-97.50
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861536	0	34	-2.0	-93.16	306.66	5.34	-87.82
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300017861537	0	31	-2.0	-96.42	282.78	4.38	-92.04
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300017861538	0	31	-2.0	-105.24	290.52	4.10	-101.14
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861539	0	34	-2.0	-103.24	317.90	5.41	-97.83
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)CC1	REAL300017861540	0	31	-2.0	-113.74	307.81	4.41	-109.33
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300017861541	0	31	-2.0	-110.47	305.46	4.33	-106.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1F	REAL300017861542	0	34	-2.0	-106.41	298.93	4.78	-101.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1Br	REAL300017861543	0	34	-2.0	-99.70	309.85	5.35	-94.35
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)CC1	REAL300017861608	0	31	-2.0	-102.68	297.45	4.42	-98.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861609	0	35	-2.0	-117.15	298.08	4.28	-112.87
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(O)C(C(=O)[O-])=C2)CC1	REAL300017861610	0	32	-2.0	-121.79	294.87	2.11	-119.68
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861611	0	35	-2.0	-101.75	318.51	5.18	-96.57
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)CC1	REAL300017861612	0	31	-2.0	-103.39	302.95	4.92	-98.47
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861613	0	37	-2.0	-99.84	330.64	5.48	-94.36
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CC1	REAL300017861614	0	31	-2.0	-107.24	278.06	4.05	-103.19
O=C([O-])CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861615	0	34	-2.0	-101.61	309.24	4.68	-96.93
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017861616	0	35	-2.0	-126.79	314.33	3.95	-122.84
O=C([O-])COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861617	0	35	-2.0	-102.28	318.14	4.18	-98.10
O=C([O-])COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300017861618	0	35	-2.0	-100.34	323.30	4.41	-95.93
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)CC1	REAL300017861619	0	31	-2.0	-98.40	278.61	4.16	-94.24
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300017861620	0	31	-2.0	-102.61	298.48	4.47	-98.14
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861621	0	34	-2.0	-113.20	298.20	4.78	-108.42
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300017861622	0	39	-2.0	-98.07	350.79	5.29	-92.78
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300017861623	0	31	-2.0	-99.19	287.73	3.86	-95.33
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300017861623	1	30	-3.0	-185.30	300.62	4.16	-181.14
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC(C(=O)[O-])=C1C	REAL300017861624	0	37	-2.0	-123.45	323.68	5.24	-118.21
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300017861625	0	33	-2.0	-96.69	318.27	4.93	-91.76
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)CC1	REAL300017861626	0	31	-2.0	-101.73	307.35	4.93	-96.80
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C(Cl)C=C1C(=O)[O-]	REAL300017861627	0	35	-2.0	-107.99	309.83	4.44	-103.55
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300017861628	0	31	-2.0	-102.08	302.23	4.57	-97.51
CC1=C(Br)C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017861629	0	34	-2.0	-97.06	322.39	5.18	-91.88
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861630	0	34	-2.0	-103.48	321.94	5.50	-97.98
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC(C(=O)[O-])=C1F	REAL300017861631	0	34	-2.0	-103.64	314.83	4.93	-98.71
CC1=CC(F)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017861632	0	34	-2.0	-109.51	298.10	4.66	-104.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1Cl	REAL300017861633	0	34	-2.0	-104.77	301.54	4.95	-99.82
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC(C(=O)[O-])=C1Cl	REAL300017861634	0	34	-2.0	-101.38	321.40	5.23	-96.15
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861635	0	34	-2.0	-93.02	302.09	5.23	-87.79
COC1=CC(Cl)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017861636	0	35	-2.0	-115.78	309.83	4.44	-111.34
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)CC1	REAL300017861637	0	35	-2.0	-104.77	326.29	5.08	-99.69
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300017861638	0	33	-2.0	-94.44	304.24	5.90	-88.54
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)CC1	REAL300017861639	0	28	-2.0	-106.22	278.48	3.04	-103.18
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861640	0	34	-2.0	-112.40	309.20	4.67	-107.73
O=C([O-])CC1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300017861641	0	33	-2.0	-116.57	310.60	5.07	-111.50
CC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1CC(=O)[O-]	REAL300017861642	0	43	-2.0	-104.45	340.61	6.75	-97.70
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])CC1	REAL300017861643	0	33	-2.0	-108.60	312.99	5.94	-102.66
CC(C)(C)C1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C(C(=O)[O-])S1	REAL300017861644	0	40	-2.0	-120.85	323.00	5.79	-115.06
CC1=C(Cl)C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017861645	0	34	-2.0	-96.88	318.37	5.09	-91.79
CC1=C(F)C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017861646	0	34	-2.0	-95.83	309.69	4.70	-91.13
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)CC1	REAL300017861647	0	37	-2.0	-115.22	328.91	6.30	-108.92
COC(=O)C1=COC(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)=C1	REAL300017861654	1	31	-2.0	-119.99	299.81	1.89	-118.10
COC(=O)C1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)SC=N1	REAL300017861680	0	30	-2.0	-121.02	294.35	1.86	-119.16
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CC1	REAL300017861688	1	28	-2.0	-126.87	274.84	4.01	-122.86
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CC1	REAL300017861692	1	27	-2.0	-115.63	279.38	2.92	-112.71
CC1=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)=C(Br)N1C	REAL300017861723	1	31	-2.0	-131.41	302.38	2.84	-128.57
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)S1	REAL300017861726	0	31	-2.0	-109.92	324.74	4.00	-105.92
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)=N1	REAL300017861745	0	30	-2.0	-133.14	287.50	2.46	-130.68
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)=C1F	REAL300017861749	1	32	-2.0	-122.68	309.58	3.71	-118.97
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)CC1	REAL300017861752	0	31	-2.0	-96.90	289.15	4.22	-92.68
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)CC1	REAL300017861752	1	30	-3.0	-178.06	303.42	3.89	-174.17
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1OC	REAL300017861754	0	42	-2.0	-108.54	365.71	5.02	-103.52
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861755	0	35	-2.0	-107.47	309.51	4.60	-102.87
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)CC1	REAL300017861756	0	31	-2.0	-107.53	279.64	3.77	-103.76
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)CC1	REAL300017861769	0	33	-3.0	-171.81	318.49	4.81	-167.00
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861770	0	35	-2.0	-103.70	304.15	3.15	-100.55
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])CC1	REAL300017861771	0	31	-3.0	-190.11	278.28	3.23	-186.88
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)CC1	REAL300017861771	1	32	-2.0	-114.35	279.22	2.87	-111.48
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300017861772	0	30	-2.0	-101.25	285.91	2.36	-98.89
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C(=O)[O-])=NN1	REAL300017861773	0	31	-2.0	-121.07	278.69	1.80	-119.27
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300017861774	0	34	-2.0	-110.60	305.85	5.03	-105.57
O=C([O-])CC1(NS(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)CC1	REAL300017861775	0	28	-2.0	-97.06	271.60	2.91	-94.15
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)C=CO2)CC1	REAL300017861778	0	25	-2.0	-117.22	262.41	2.14	-115.08
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1	REAL300017861788	1	32	-2.0	-121.31	300.63	4.11	-117.20
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)=C1	REAL300017861806	0	31	-2.0	-108.61	319.04	2.85	-105.76
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300017861810	0	35	-2.0	-117.35	330.83	4.44	-112.91
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CC1	REAL300017861814	1	31	-2.0	-134.18	287.19	2.65	-131.53
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300017861816	0	29	-2.0	-93.48	285.92	3.45	-90.03
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)CC1	REAL300017861866	0	31	-2.0	-108.79	280.66	4.03	-104.76
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)CC1	REAL300017861867	0	31	-2.0	-113.16	297.92	3.99	-109.17
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CC1	REAL300017861875	0	28	-2.0	-121.06	288.09	4.18	-116.88
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300017861876	1	30	-2.0	-116.26	301.65	2.75	-113.51
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1	REAL300017861880	1	32	-2.0	-124.53	312.48	4.47	-120.06
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CC1	REAL300017861883	1	28	-2.0	-116.52	288.18	4.08	-112.44
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300017861895	1	34	-2.0	-98.00	317.81	1.33	-96.67
CCOC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=N[N-]1	REAL300017861895	1	34	-2.0	-98.05	317.83	1.34	-96.71
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1	REAL300017861903	1	32	-2.0	-121.22	314.82	4.68	-116.54
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CC1	REAL300017861910	1	25	-2.0	-113.45	283.19	3.49	-109.96
O=C([O-])CC1([N-]S(=O)(=O)C2=C(I)C=CS2)CC1	REAL300017861916	1	25	-2.0	-118.22	272.80	3.44	-114.78
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)CC1	REAL300017861958	0	38	-2.0	-101.01	335.51	6.15	-94.86
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)CC1	REAL300017861962	1	35	-2.0	-119.10	328.33	4.53	-114.57
CCC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C(C(=O)[O-])O1	REAL300017861969	0	34	-2.0	-102.55	305.18	3.94	-98.61
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2C)C(F)=C1	REAL300017866856	1	35	-2.0	-134.26	318.89	3.58	-130.68
CC1CC1C([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017866871	1	31	-2.0	-136.32	288.06	4.78	-131.54
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866888	0	37	-2.0	-106.14	330.23	5.79	-100.35
CC1CC1C(NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017866889	0	34	-2.0	-114.92	331.34	5.36	-109.56
CC1CC1C(NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017866890	0	41	-2.0	-95.32	364.45	3.38	-91.94
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866891	0	42	-2.0	-104.41	370.88	6.02	-98.39
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866892	0	41	-2.0	-119.10	361.72	5.46	-113.64
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1CC(=O)[O-]	REAL300017866893	0	41	-2.0	-116.69	363.57	4.97	-111.72
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1C(=O)[O-]	REAL300017866894	0	40	-2.0	-119.45	345.76	6.21	-113.24
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866895	0	38	-2.0	-119.63	337.69	3.82	-115.81
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=CC(C(=O)[O-])=C1OC	REAL300017866896	0	42	-2.0	-117.52	371.40	4.64	-112.88
CC1CC1C(NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)[O-]	REAL300017866897	0	45	-2.0	-96.47	384.83	5.84	-90.63
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1C(=O)[O-]	REAL300017866898	0	41	-2.0	-107.98	364.23	5.85	-102.13
CC1CC1C(NS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017866899	0	31	-2.0	-102.56	320.36	4.58	-97.98
CC1CC1C(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017866900	0	31	-2.0	-99.78	305.06	3.88	-95.90
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C(C(=O)[O-])O1	REAL300017866901	0	34	-2.0	-110.47	321.02	4.02	-106.45
CC1CC1C(NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017866902	0	40	-2.0	-106.92	355.28	4.61	-102.31
CC1CC1C(NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017866903	0	44	-2.0	-99.67	394.86	6.12	-93.55
CC1CC1C(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017866904	0	38	-2.0	-97.60	362.20	5.70	-91.90
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=CC=C1OCC(=O)[O-]	REAL300017866905	0	41	-2.0	-98.73	364.27	5.83	-92.90
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=CC=C1OCCCC(=O)[O-]	REAL300017866906	0	47	-2.0	-101.24	408.70	6.79	-94.45
CC1CC1C(NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017866907	0	34	-2.0	-110.95	341.21	5.79	-105.16
CC1CC1C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017866908	0	34	-2.0	-103.28	339.37	5.86	-97.42
CC1CC1C(NS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017866909	0	31	-2.0	-96.66	321.92	4.32	-92.34
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C(C)=C1C(=O)[O-]	REAL300017866910	0	40	-2.0	-103.42	349.51	6.42	-97.00
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866911	0	37	-2.0	-101.35	330.91	5.83	-95.52
CC1CC1C(NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017866912	0	34	-2.0	-105.39	334.82	5.55	-99.84
CC1CC1C(NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017866913	0	34	-2.0	-104.86	319.94	5.01	-99.85
CC1CC1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017866914	0	34	-2.0	-101.26	317.78	5.26	-96.00
CC1CC1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017866915	0	34	-2.0	-97.96	317.63	4.86	-93.10
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866916	0	37	-2.0	-106.35	338.80	6.19	-100.16
CC1CC1C(NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017866917	0	34	-2.0	-113.09	334.24	5.47	-107.62
CC1CC1C(NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017866918	0	34	-2.0	-106.91	326.35	5.23	-101.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C1F	REAL300017866919	0	37	-2.0	-106.36	337.80	5.54	-100.82
CC1CC1C([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017866943	1	34	-2.0	-134.49	310.67	4.39	-130.10
CC1CC1C(NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017866990	0	34	-2.0	-102.57	341.11	5.92	-96.65
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866991	0	38	-2.0	-111.51	339.41	4.71	-106.80
CC1CC1C(NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017866992	0	35	-2.0	-120.01	323.88	2.92	-117.09
CC1CC1C(NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017866993	0	38	-2.0	-100.96	339.44	6.10	-94.86
CC1CC1C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017866994	0	34	-2.0	-111.19	332.75	5.67	-105.52
CC1CC1C(NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017866995	0	40	-2.0	-97.85	351.56	6.37	-91.48
CC1CC1C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017866996	0	34	-2.0	-105.85	321.53	5.01	-100.84
CC1CC1C(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017866997	0	37	-2.0	-102.30	335.70	5.72	-96.58
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1C(=O)[O-]	REAL300017866998	0	38	-2.0	-124.20	340.39	4.90	-119.30
CC1CC1C(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017866999	0	38	-2.0	-99.82	339.06	5.07	-94.75
CC1CC1C(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017867000	0	38	-2.0	-97.99	350.40	5.18	-92.81
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC=CC(=O)[O-])C=C1Br	REAL300017933286	1	26	-2.0	-98.12	292.37	3.39	-94.73
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC=CC(=O)[O-])=C1F	REAL300017933288	1	31	-2.0	-109.52	321.52	3.61	-105.91
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300017933295	1	25	-2.0	-97.19	294.78	4.14	-93.05
NC(=O)C1=CC(S(=O)(=O)[N-]CC=CC(=O)[O-])=C(F)C=C1Br	REAL300017933302	1	29	-2.0	-101.18	302.64	-0.10	-101.28
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC=CC(=O)[O-])O1	REAL300017933307	1	31	-2.0	-102.66	303.83	1.81	-100.85
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC=CC(=O)[O-])=C1F	REAL300017933321	1	31	-2.0	-108.93	311.20	3.17	-105.76
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(OC)=C1	REAL300017933328	1	43	-2.0	-96.53	382.38	1.14	-95.39
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]CC=CC(=O)[O-])=C1	REAL300017933346	1	31	-2.0	-103.61	323.29	3.88	-99.73
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017933365	1	25	-2.0	-99.05	279.98	3.95	-95.10
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017933391	0	27	-2.0	-121.88	272.38	4.18	-117.70
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017933394	1	25	-2.0	-110.80	266.03	3.38	-107.42
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017933402	0	27	-2.0	-108.55	293.19	5.20	-103.35
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC=CC(=O)[O-])O1	REAL300017933414	1	31	-2.0	-102.04	307.80	2.14	-99.90
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017933416	1	28	-2.0	-110.32	284.85	4.59	-105.73
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017933417	1	27	-2.0	-110.10	286.24	4.65	-105.45
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017933420	1	22	-2.0	-103.88	258.70	2.01	-101.87
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017933423	1	24	-2.0	-99.65	276.01	1.76	-97.89
CCN1C=C(S(=O)(=O)[N-]CC=CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300017933427	1	30	-2.0	-113.84	296.71	3.32	-110.52
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017933428	1	27	-2.0	-116.53	279.80	3.84	-112.69
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017933431	1	27	-2.0	-112.07	286.23	4.65	-107.42
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(F)=C1	REAL300017933433	1	33	-2.0	-95.14	317.17	-0.62	-95.76
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017933450	1	27	-2.0	-118.45	280.08	4.68	-113.77
CCCCCCN1C=C(S(=O)(=O)[N-]CC=CC(=O)[O-])C(=O)NC1=O	REAL300017933468	1	43	-2.0	-110.84	382.62	3.19	-107.65
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017933473	1	22	-2.0	-101.26	250.77	1.15	-100.11
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017933475	1	22	-2.0	-98.91	273.87	2.69	-96.22
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC=CC(=O)[O-])C(F)=C1	REAL300017933491	0	26	-2.0	-103.81	275.69	3.11	-100.70
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933506	0	40	-2.0	-101.62	360.13	0.15	-101.47
O=C([O-])C=CC[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017933509	1	24	-2.0	-96.71	271.83	1.63	-95.08
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300017933524	1	25	-2.0	-98.04	295.64	4.08	-93.96
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017933531	1	25	-2.0	-100.34	288.02	3.57	-96.77
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017933534	1	25	-2.0	-100.56	281.56	3.56	-97.00
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300017933548	1	25	-2.0	-100.37	294.10	4.04	-96.33
COC1=CC(F)=C(S(=O)(=O)[N-]CC=CC(=O)[O-])C(F)=C1	REAL300017933559	1	29	-2.0	-109.62	284.39	2.02	-107.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933587	0	31	-2.0	-96.91	296.86	4.33	-92.58
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300017933588	0	28	-2.0	-100.21	293.35	3.87	-96.34
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300017933589	0	35	-2.0	-95.52	333.54	1.97	-93.55
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933590	0	36	-2.0	-102.66	328.95	4.51	-98.15
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933591	0	35	-2.0	-103.46	319.79	3.98	-99.48
COC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1CC(=O)[O-]	REAL300017933592	0	35	-2.0	-108.01	327.57	3.52	-104.49
CC1=CC(C)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(=O)[O-]	REAL300017933593	0	34	-2.0	-102.68	307.61	4.84	-97.84
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933594	0	32	-2.0	-103.88	300.49	2.34	-101.54
COC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017933595	0	36	-2.0	-104.92	335.42	3.20	-101.72
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300017933596	0	39	-2.0	-94.77	353.94	4.44	-90.33
CCOC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(=O)[O-]	REAL300017933597	0	35	-2.0	-110.69	326.24	4.36	-106.33
O=C([O-])C=CCNS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300017933598	0	25	-2.0	-94.81	275.09	2.68	-92.13
O=C([O-])C=CCNS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300017933599	0	34	-2.0	-108.30	319.27	3.16	-105.14
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300017933600	0	38	-2.0	-100.87	356.84	4.64	-96.23
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300017933601	0	32	-2.0	-98.44	324.20	4.21	-94.23
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300017933602	0	38	-2.0	-99.65	366.65	5.12	-94.53
CC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017933603	0	35	-2.0	-98.25	328.25	4.38	-93.87
CC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017933604	0	41	-2.0	-98.69	370.69	5.31	-93.38
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017933605	0	28	-2.0	-96.30	304.76	4.24	-92.06
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017933606	0	28	-2.0	-92.48	293.84	3.91	-88.57
O=C([O-])C=CCNS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300017933607	0	25	-2.0	-94.10	285.35	2.91	-91.19
CC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017933608	0	34	-2.0	-106.34	310.35	4.89	-101.45
O=C([O-])C=CCNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300017933609	0	28	-2.0	-98.51	298.38	4.00	-94.51
O=C([O-])C=CCNS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017933610	0	28	-2.0	-98.20	283.49	3.45	-94.75
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933611	0	31	-2.0	-96.84	307.49	4.78	-92.06
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017933612	0	28	-2.0	-94.59	278.66	3.44	-91.15
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017933613	0	28	-2.0	-100.65	281.62	3.43	-97.22
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933614	0	31	-2.0	-97.55	305.53	4.72	-92.83
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017933615	0	28	-2.0	-98.97	297.79	3.92	-95.05
O=C([O-])C=CCNS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017933616	0	28	-2.0	-96.10	295.45	3.83	-92.27
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1F	REAL300017933617	0	31	-2.0	-97.32	295.59	3.77	-93.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1Br	REAL300017933618	0	31	-2.0	-97.49	311.65	4.70	-92.79
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017933681	0	28	-2.0	-94.41	291.23	3.82	-90.59
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933682	0	32	-2.0	-103.24	297.48	3.21	-100.03
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017933683	0	29	-2.0	-105.89	285.90	1.43	-104.46
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017933684	0	32	-2.0	-99.75	308.53	4.68	-95.07
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300017933685	0	28	-2.0	-96.72	293.49	4.13	-92.59
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017933686	0	34	-2.0	-97.15	320.66	4.98	-92.17
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017933687	0	28	-2.0	-97.15	275.31	3.14	-94.01
COC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(=O)[O-]	REAL300017933688	0	32	-2.0	-109.08	304.38	3.45	-105.63
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017933689	0	32	-2.0	-98.15	308.18	3.67	-94.48
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017933690	0	32	-2.0	-100.32	314.40	3.73	-96.59
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017933691	0	28	-2.0	-95.12	275.27	3.15	-91.97
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017933692	0	28	-2.0	-97.22	289.59	3.79	-93.43
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933693	0	31	-2.0	-107.02	294.88	3.77	-103.25
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017933694	0	36	-2.0	-98.25	340.84	4.80	-93.45
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017933695	0	28	-2.0	-91.90	281.58	3.21	-88.69
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017933695	1	27	-3.0	-164.52	286.61	3.11	-161.41
CC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017933696	0	34	-2.0	-106.35	314.59	4.59	-101.76
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017933697	0	30	-2.0	-94.37	305.28	4.06	-90.31
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300017933698	0	28	-2.0	-96.76	298.01	4.16	-92.60
COC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017933699	0	32	-2.0	-99.39	305.91	3.50	-95.89
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017933700	0	28	-2.0	-96.36	293.32	3.88	-92.48
CC1=C(Br)C=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(=O)[O-]	REAL300017933701	0	31	-2.0	-98.73	314.94	4.55	-94.18
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933702	0	31	-2.0	-97.65	309.59	4.81	-92.84
CC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017933703	0	31	-2.0	-106.01	301.94	4.04	-101.97
COC1=CC(Br)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(=O)[O-]	REAL300017933704	0	32	-2.0	-102.14	320.73	4.20	-97.94
CC1=CC(F)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(=O)[O-]	REAL300017933705	0	31	-2.0	-96.85	291.38	3.68	-93.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1Cl	REAL300017933706	0	31	-2.0	-97.35	297.39	4.03	-93.32
CC1=CC(S(=O)(=O)NCC=CC(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017933707	0	31	-2.0	-102.92	308.33	4.34	-98.58
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933708	0	31	-2.0	-96.79	302.92	4.67	-92.12
O=C([O-])C=CCNS(=O)(=O)C1=CC(Br)=C(Cl)C(C(=O)[O-])=C1	REAL300017933709	0	28	-2.0	-96.28	308.98	4.34	-91.94
COC1=CC(Cl)=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(=O)[O-]	REAL300017933710	0	32	-2.0	-102.18	305.99	3.51	-98.67
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300017933711	0	32	-2.0	-95.07	313.99	3.71	-91.36
CC1=C(Br)C=C(S(=O)(=O)NCC=CC(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017933712	0	34	-2.0	-100.85	329.14	5.32	-95.53
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017933713	0	30	-2.0	-94.96	294.52	4.89	-90.07
O=C([O-])C=CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017933714	0	30	-2.0	-111.31	303.67	4.48	-106.83
CC1=CC(C)=C(S(=O)(=O)NCC=CC(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017933715	0	40	-2.0	-104.90	334.49	5.90	-99.00
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017933716	0	30	-2.0	-112.09	300.65	5.20	-106.89
CC(C)(C)C1=C(S(=O)(=O)NCC=CC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017933717	0	37	-2.0	-105.71	326.60	5.18	-100.53
CC1=C(Cl)C=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(=O)[O-]	REAL300017933718	0	31	-2.0	-98.55	310.83	4.45	-94.10
CC1=C(F)C=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(=O)[O-]	REAL300017933719	0	31	-2.0	-97.87	302.03	4.06	-93.81
O=C([O-])C=CCNS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017933720	0	34	-2.0	-109.21	318.13	5.52	-103.69
COC(=O)C1=CC(S(=O)(=O)[N-]CC=CC(=O)[O-])=C(F)C=C1Br	REAL300017933728	1	31	-2.0	-101.41	322.92	3.63	-97.78
COC(=O)C1=C(S(=O)(=O)[N-]CC=CC(=O)[O-])SC=N1	REAL300017933744	0	27	-2.0	-111.13	286.58	0.18	-110.95
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017933753	1	24	-2.0	-104.43	265.37	1.88	-102.55
CC1=NC(S(=O)(=O)[N-]CC=CC(=O)[O-])=C(Br)N1C	REAL300017933780	1	28	-2.0	-114.62	287.01	1.89	-112.73
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CC=CC(=O)[O-])S1	REAL300017933782	0	28	-2.0	-98.36	314.59	2.79	-95.57
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC=CC(=O)[O-])=C1F	REAL300017933804	1	29	-2.0	-113.22	295.35	2.67	-110.55
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017933807	0	28	-2.0	-92.51	286.03	3.22	-89.29
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017933807	1	27	-3.0	-161.07	291.02	3.13	-157.94
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1OC	REAL300017933808	0	39	-2.0	-102.06	346.77	3.93	-98.13
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933809	0	32	-2.0	-97.60	297.52	3.21	-94.39
O=C([O-])C=CCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017933810	0	28	-2.0	-107.05	273.44	3.10	-103.95
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017933819	0	30	-3.0	-169.67	305.50	3.95	-165.72
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933820	0	32	-2.0	-104.84	298.26	2.38	-102.46
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017933821	0	28	-3.0	-167.02	275.49	2.00	-165.02
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017933821	1	29	-2.0	-100.84	286.45	1.12	-99.72
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933822	0	31	-2.0	-103.49	296.24	4.33	-99.16
O=C([O-])C=CCNS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017933823	0	25	-2.0	-94.34	268.57	2.00	-92.34
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017933826	0	22	-2.0	-104.38	248.16	1.11	-103.27
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC=CC(=O)[O-]	REAL300017933835	1	29	-2.0	-109.90	282.82	3.11	-106.79
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300017933850	1	41	-2.0	-88.24	390.02	2.21	-86.03
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC=CC(=O)[O-])=C1	REAL300017933852	0	28	-2.0	-98.86	305.03	1.81	-97.05
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017933856	0	32	-2.0	-101.74	320.88	3.94	-97.80
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017933859	1	28	-2.0	-113.49	275.83	1.65	-111.84
O=C([O-])C=CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017933860	0	26	-2.0	-89.39	279.85	2.47	-86.92
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017933899	0	28	-2.0	-107.97	278.00	3.14	-104.83
O=C([O-])C=CCNS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017933900	0	28	-2.0	-98.95	287.91	3.48	-95.47
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017933907	0	25	-2.0	-105.06	276.20	3.34	-101.72
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017933908	1	27	-2.0	-102.17	287.40	1.71	-100.46
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC=CC(=O)[O-]	REAL300017933912	1	29	-2.0	-114.20	298.25	3.44	-110.76
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017933915	1	25	-2.0	-102.56	273.93	3.03	-99.53
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933926	1	31	-2.0	-92.04	303.39	0.54	-91.50
CCOC(=O)C1=CC(S(=O)(=O)NCC=CC(=O)[O-])=N[N-]1	REAL300017933926	1	31	-2.0	-92.00	303.44	0.54	-91.46
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC=CC(=O)[O-]	REAL300017933931	1	29	-2.0	-109.00	297.03	3.67	-105.33
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017933936	1	22	-2.0	-96.07	271.47	2.54	-93.53
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300017933941	1	22	-2.0	-102.71	264.89	2.47	-100.24
O=C([O-])C=CCNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017933972	0	35	-2.0	-104.96	322.53	5.27	-99.69
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017933977	1	32	-2.0	-107.58	314.34	3.49	-104.09
CCC1=C(S(=O)(=O)NCC=CC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017933983	0	31	-2.0	-99.85	301.43	3.31	-96.54
C#CCC[C@H](NS(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017933986	0	36	-2.0	-118.16	339.99	5.14	-113.02
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C)C(=O)[O-]	REAL300017933987	0	41	-2.0	-113.09	361.40	6.89	-106.20
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C(=O)[O-]	REAL300017933988	0	42	-2.0	-112.83	362.02	7.44	-105.39
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C(=O)[O-]	REAL300017933989	0	39	-2.0	-113.16	351.26	6.76	-106.40
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(=O)[O-]	REAL300017933991	0	32	-2.0	-100.56	325.37	5.50	-95.06
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017933992	0	32	-2.0	-113.67	324.56	5.32	-108.35
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017933993	0	32	-2.0	-108.84	312.04	4.92	-103.92
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017933994	0	35	-2.0	-117.39	328.06	5.45	-111.94
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(=O)[O-]	REAL300017933995	0	32	-2.0	-105.63	312.03	4.92	-100.71
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300017933996	0	38	-2.0	-111.12	341.77	6.32	-104.80
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(=O)[O-]	REAL300017933997	0	32	-2.0	-99.27	324.37	4.83	-94.44
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C(=O)[O-]	REAL300017933998	0	35	-2.0	-108.27	320.95	5.66	-102.61
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(=O)[O-]	REAL300017933999	0	29	-2.0	-105.58	305.23	3.95	-101.63
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300017934000	0	38	-2.0	-108.71	340.47	6.60	-102.11
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017934294	1	29	-2.0	-123.75	316.39	6.41	-117.34
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017934300	0	29	-2.0	-125.01	308.53	5.37	-119.64
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017934302	1	29	-2.0	-123.39	306.58	5.42	-117.97
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017934303	1	29	-2.0	-122.27	292.28	4.88	-117.39
C#CCC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017934313	0	29	-2.0	-125.70	295.82	4.41	-121.29
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300017934328	1	29	-2.0	-133.78	298.24	3.63	-130.15
C#CCC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300017934335	0	36	-2.0	-132.80	357.65	3.85	-128.95
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017934341	1	32	-2.0	-119.08	335.33	4.04	-115.04
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017934376	1	35	-2.0	-132.32	355.93	5.23	-127.09
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017934399	1	35	-2.0	-126.84	331.55	4.08	-122.76
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017934417	1	35	-2.0	-135.87	340.89	5.38	-130.49
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300017934458	1	29	-2.0	-121.72	309.61	6.12	-115.60
C#CCC[C@H]([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017934489	1	32	-2.0	-126.84	315.58	3.44	-123.40
C#CCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934491	0	31	-2.0	-144.09	303.63	5.68	-138.41
C#CCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017934494	1	29	-2.0	-139.15	295.67	5.56	-133.59
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934502	0	31	-2.0	-125.63	328.97	6.70	-118.93
C#CCC[C@H]([N-]S(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300017934515	1	35	-2.0	-127.19	337.43	4.37	-122.82
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017934520	1	32	-2.0	-136.17	311.78	6.62	-129.55
C#CCC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934521	1	31	-2.0	-132.50	315.87	6.82	-125.68
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017934524	1	26	-2.0	-124.66	293.14	3.62	-121.04
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017934529	1	28	-2.0	-122.04	305.65	3.94	-118.10
C#CCC[C@H]([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934533	1	34	-2.0	-135.73	331.10	4.93	-130.80
C#CCC[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934534	1	31	-2.0	-141.53	314.35	5.45	-136.08
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934537	1	31	-2.0	-132.40	319.28	6.41	-125.99
C#CCC[C@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017934539	1	37	-2.0	-104.44	345.35	0.80	-103.64
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934556	1	31	-2.0	-137.26	312.24	6.21	-131.05
C#CCC[C@H]([N-]S(=O)(=O)C1=CN(CCCCCC)C(=O)NC1=O)C(=O)[O-]	REAL300017934578	1	47	-2.0	-137.24	412.26	5.26	-131.98
C#CCC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017934584	1	26	-2.0	-122.28	285.23	2.76	-119.52
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017934586	1	26	-2.0	-122.68	303.50	4.89	-117.79
C#CCC[C@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017934620	1	28	-2.0	-118.46	301.47	3.81	-114.65
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300017934644	1	29	-2.0	-121.06	322.49	5.19	-115.87
C#CCC[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017934647	1	29	-2.0	-122.99	311.21	5.74	-117.25
C#CCC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300017934676	1	33	-2.0	-137.68	314.02	4.19	-133.49
C#CCC[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300017934690	1	29	-2.0	-138.15	287.83	4.76	-133.39
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C)C(=O)[O-]	REAL300017934707	0	35	-2.0	-103.79	328.52	5.77	-98.02
C#CCC[C@H](NS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934708	0	32	-2.0	-112.99	328.30	5.40	-107.59
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017934709	0	39	-2.0	-95.26	368.15	3.54	-91.72
C#CCC[C@H](NS(=O)(=O)C1=CC(C=CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017934710	0	40	-2.0	-98.93	353.47	6.30	-92.63
C#CCC[C@H](NS(=O)(=O)C1=CC(CC(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017934711	0	39	-2.0	-109.89	346.04	5.47	-104.42
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017934712	0	39	-2.0	-110.69	362.52	5.04	-105.65
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300017934713	0	38	-2.0	-108.92	336.92	6.19	-102.73
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(O)C=C1C)C(=O)[O-]	REAL300017934714	0	36	-2.0	-111.83	332.54	3.81	-108.02
C#CCC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934715	0	40	-2.0	-110.99	368.10	4.69	-106.30
C#CCC[C@H](NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)[O-]	REAL300017934716	0	43	-2.0	-96.98	388.88	5.98	-91.00
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934717	0	39	-2.0	-122.07	358.93	5.85	-116.22
C#CCC[C@H](NS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934718	0	29	-2.0	-104.47	318.98	4.57	-99.90
C#CCC[C@H](NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934719	0	29	-2.0	-106.84	301.44	3.91	-102.93
C#CCC[C@H](NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934720	0	32	-2.0	-108.49	314.38	4.02	-104.47
C#CCC[C@H](NS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934721	0	38	-2.0	-122.95	354.22	4.71	-118.24
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017934722	0	42	-2.0	-99.49	391.79	6.17	-93.32
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017934723	0	36	-2.0	-100.19	359.15	5.74	-94.45
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017934724	0	39	-2.0	-100.69	363.20	5.91	-94.78
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017934725	0	45	-2.0	-96.90	403.39	6.79	-90.11
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934726	0	32	-2.0	-101.98	339.73	5.77	-96.21
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017934727	0	32	-2.0	-102.23	337.33	5.82	-96.41
C#CCC[C@H](NS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017934728	0	29	-2.0	-103.65	312.05	4.24	-99.41
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017934729	0	38	-2.0	-117.44	342.54	6.36	-111.08
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1C)C(=O)[O-]	REAL300017934730	0	35	-2.0	-104.74	320.93	5.67	-99.07
C#CCC[C@H](NS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934731	0	32	-2.0	-108.30	331.07	5.48	-102.82
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934732	0	32	-2.0	-108.97	318.44	4.98	-103.99
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017934733	0	32	-2.0	-99.00	323.97	5.51	-93.49
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017934734	0	32	-2.0	-105.28	314.32	4.91	-100.37
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C)C(=O)[O-]	REAL300017934735	0	35	-2.0	-103.38	334.74	6.09	-97.29
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934736	0	32	-2.0	-103.61	330.50	5.40	-98.21
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934737	0	32	-2.0	-101.08	328.15	5.31	-95.77
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C(=O)[O-]	REAL300017934738	0	35	-2.0	-101.54	325.22	5.21	-96.33
C#CCC[C@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300017934762	1	32	-2.0	-132.39	310.60	4.43	-127.96
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017934807	0	32	-2.0	-104.48	334.23	5.76	-98.72
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C(=O)[O-]	REAL300017934808	0	36	-2.0	-103.73	322.00	5.01	-98.72
C#CCC[C@H](NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934809	0	33	-2.0	-118.85	320.86	2.97	-115.88
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017934810	0	36	-2.0	-101.55	343.49	6.22	-95.33
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017934811	0	32	-2.0	-100.32	328.73	5.65	-94.67
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017934812	0	38	-2.0	-97.80	355.26	6.54	-91.26
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017934813	0	32	-2.0	-100.29	303.48	4.56	-95.73
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017934814	0	35	-2.0	-100.13	333.86	5.73	-94.40
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934815	0	36	-2.0	-115.03	339.33	4.99	-110.04
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017934816	0	36	-2.0	-99.80	342.76	5.23	-94.57
C#CCC[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017934817	0	36	-2.0	-102.40	349.35	5.27	-97.13
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)[O-]	REAL300017934818	0	32	-2.0	-104.67	303.47	4.57	-100.10
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017934819	0	32	-2.0	-102.42	322.29	5.27	-97.15
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017934820	0	35	-2.0	-127.54	324.51	5.21	-122.33
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017934821	0	40	-2.0	-96.83	375.42	6.37	-90.46
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017934822	0	32	-2.0	-97.38	311.94	4.70	-92.68
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017934822	1	31	-3.0	-193.78	316.26	5.32	-188.46
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934823	0	38	-2.0	-110.77	343.24	5.95	-104.82
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017934824	0	34	-2.0	-98.86	337.97	5.54	-93.32
C#CCC[C@H](NS(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017934825	0	36	-2.0	-99.40	349.41	5.40	-94.00
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017934826	0	32	-2.0	-101.79	326.02	5.37	-96.42
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934827	0	35	-2.0	-118.24	336.88	5.57	-112.67
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F)C(=O)[O-]	REAL300017934828	0	35	-2.0	-100.90	321.72	5.19	-95.71
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl)C(=O)[O-]	REAL300017934829	0	35	-2.0	-109.70	340.68	5.93	-103.77
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934830	0	35	-2.0	-115.60	343.26	5.88	-109.72
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017934831	0	35	-2.0	-106.00	335.55	6.13	-99.87
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl)C(=O)[O-]	REAL300017934832	0	36	-2.0	-114.67	349.42	5.42	-109.25
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F)C(=O)[O-]	REAL300017934833	0	36	-2.0	-101.83	335.69	5.39	-96.44
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934834	0	34	-2.0	-102.13	329.39	6.40	-95.73
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017934835	0	29	-2.0	-106.64	304.30	4.05	-102.59
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017934836	0	35	-2.0	-101.99	331.95	5.65	-96.34
C#CCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934837	0	34	-2.0	-118.67	336.36	5.97	-112.70
C#CCC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C(CC(=O)[O-])=C1C)C(=O)[O-]	REAL300017934838	0	44	-2.0	-122.22	372.45	7.59	-114.63
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934839	0	34	-2.0	-116.44	329.63	6.94	-109.50
C#CCC[C@H](NS(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934840	0	41	-2.0	-125.97	357.11	6.64	-119.33
C#CCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934841	0	35	-2.0	-103.99	341.90	5.90	-98.09
C#CCC[C@H](NS(=O)(=O)C1=CC(F)=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934842	0	35	-2.0	-102.89	330.94	5.45	-97.44
C#CCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934843	0	38	-2.0	-123.83	350.82	7.01	-116.82
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300017934851	1	32	-2.0	-129.81	315.92	3.39	-126.42
C#CCC[C@H]([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300017934882	0	31	-2.0	-132.17	315.61	2.39	-129.78
C#CCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017934891	1	29	-2.0	-140.01	292.08	5.42	-134.59
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017934895	1	28	-2.0	-126.59	300.13	3.49	-123.10
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300017934927	1	32	-2.0	-144.41	317.74	4.05	-140.36
C#CCC[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934947	0	31	-2.0	-149.47	304.39	3.56	-145.91
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300017934952	1	33	-2.0	-139.58	330.09	4.27	-135.31
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017934957	0	32	-2.0	-96.95	315.59	4.66	-92.29
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C(=O)[O-]	REAL300017934957	1	31	-3.0	-188.38	320.69	5.34	-183.04
C#CCC[C@H](NS(=O)(=O)C1=CC(CC(=O)[O-])=CC(OC)=C1OC)C(=O)[O-]	REAL300017934959	0	43	-2.0	-119.77	390.07	5.50	-114.27
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)C(=O)[O-]	REAL300017934960	0	36	-2.0	-104.40	322.02	5.01	-99.39
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017934961	0	32	-2.0	-125.86	301.66	4.51	-121.35
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934976	0	34	-3.0	-195.08	340.44	5.49	-189.59
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1O)C(=O)[O-]	REAL300017934977	0	36	-2.0	-124.47	327.72	4.22	-120.25
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300017934978	0	32	-3.0	-198.60	304.93	4.25	-194.35
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(=O)[O-]	REAL300017934978	1	33	-2.0	-109.61	320.69	2.62	-106.99
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(=O)[O-]	REAL300017934979	0	31	-2.0	-109.96	306.00	2.97	-106.99
C#CCC[C@H](NS(=O)(=O)C1=C(C)NN=C1C(=O)[O-])C(=O)[O-]	REAL300017934980	0	32	-2.0	-118.50	302.72	2.78	-115.72
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1C)C(=O)[O-]	REAL300017934981	0	35	-2.0	-109.28	329.01	5.81	-103.47
C#CCC[C@H](NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934982	0	29	-2.0	-100.74	296.96	3.45	-97.29
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017934985	0	26	-2.0	-130.41	280.13	3.24	-127.17
C#CCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300017934997	1	33	-2.0	-131.74	317.32	4.73	-127.01
CC(C)(O[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017941742	1	29	-2.0	-109.49	309.86	4.96	-104.53
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1F	REAL300017941746	0	34	-2.0	-120.08	339.01	5.18	-114.90
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1	REAL300017941747	1	37	-2.0	-125.43	344.43	5.35	-120.08
CC(C)(O[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300017941762	0	32	-2.0	-111.43	320.13	1.47	-109.96
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])O1	REAL300017941768	0	34	-2.0	-112.45	321.33	3.38	-109.07
CC(C)(O[N-]S(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300017941771	1	31	-2.0	-115.38	303.63	3.50	-111.88
CC(C)(O[N-]S(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300017941772	1	31	-2.0	-133.23	313.35	3.80	-129.43
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1F	REAL300017941785	0	34	-2.0	-119.64	328.69	4.74	-114.90
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017941791	1	34	-2.0	-125.05	322.27	5.10	-119.95
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)SC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300017941809	1	31	-2.0	-120.53	332.58	1.11	-119.42
CCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(OC)=C1	REAL300017941813	1	43	-2.0	-97.80	380.74	1.67	-96.13
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300017941831	0	28	-2.0	-110.01	297.47	5.52	-104.49
COC(=O)C1=CC=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])O1	REAL300017941861	0	31	-2.0	-111.80	303.43	2.80	-109.00
CC(C)(O[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941862	0	30	-2.0	-135.05	289.87	5.60	-129.45
CC(C)(O[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017941865	0	28	-2.0	-123.51	283.52	4.94	-118.57
CC(C)(O[N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941870	1	30	-2.0	-121.33	299.13	5.75	-115.58
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941873	0	30	-2.0	-119.79	310.69	6.50	-113.29
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])O1	REAL300017941886	0	34	-2.0	-111.99	325.29	3.71	-108.28
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017941890	0	31	-2.0	-122.71	302.35	5.99	-116.72
CC(C)(O[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941891	1	30	-2.0	-121.09	303.69	5.86	-115.23
CC(C)(O[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br)C(=O)[O-]	REAL300017941893	1	30	-2.0	-105.85	308.59	5.35	-100.50
CC(C)(O[N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017941894	0	25	-2.0	-117.43	276.19	3.55	-113.88
CC(C)(O[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017941899	0	27	-2.0	-110.14	293.50	3.30	-106.84
CC(C)(O[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300017941900	1	30	-2.0	-109.56	297.60	4.73	-104.83
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017941902	1	37	-2.0	-129.01	344.82	2.46	-126.55
CCN1C=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017941903	0	33	-2.0	-123.10	314.21	4.82	-118.28
CC(C)(O[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941904	0	30	-2.0	-126.81	296.73	5.38	-121.43
CC(C)(O[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941907	0	30	-2.0	-124.28	303.72	5.89	-118.39
CC(C)(ONS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017941909	1	36	-2.0	-110.42	337.02	0.48	-109.94
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941928	0	30	-2.0	-130.75	297.57	6.12	-124.63
COC(=O)C1=CC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C(Cl)C=C1Cl	REAL300017941930	1	34	-2.0	-109.97	344.26	5.59	-104.38
COC(=O)C1=CSC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1	REAL300017941933	1	31	-2.0	-117.83	311.94	3.66	-114.17
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1	REAL300017941937	1	34	-2.0	-124.96	324.15	4.71	-120.25
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017941946	1	33	-2.0	-117.34	325.98	3.28	-114.06
CC1=CC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C(F)C=C1F	REAL300017941947	1	31	-2.0	-115.39	296.10	4.76	-110.63
CCCCCCN1C=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])C(=O)NC1=O	REAL300017941950	0	46	-2.0	-120.30	400.11	4.76	-115.54
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])S1	REAL300017941952	1	35	-2.0	-120.45	341.74	3.06	-117.39
CC1=CC(F)=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])C=C1F	REAL300017941954	1	31	-2.0	-118.74	296.10	4.77	-113.97
CC(C)(O[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017941956	0	25	-2.0	-111.97	268.27	2.72	-109.25
CC1=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300017941957	1	34	-2.0	-116.15	317.63	5.28	-110.87
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017941958	0	25	-2.0	-110.64	291.36	4.25	-106.39
CC(C)(O[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017941973	0	29	-2.0	-116.33	293.18	4.68	-111.65
CC(C)(O[N-]S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300017941987	1	31	-2.0	-140.47	301.18	3.86	-136.61
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941989	0	43	-2.0	-106.33	384.35	0.80	-105.53
CC(C)(O[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017941991	1	27	-2.0	-107.58	289.32	3.18	-104.40
COC1=CC(Br)=C(F)C=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017941997	1	32	-2.0	-116.28	319.14	4.45	-111.83
COC1=CC(F)=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])C(F)=C1	REAL300017942049	0	32	-2.0	-122.63	301.88	3.58	-119.05
CC(C)(O[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300017942060	1	27	-2.0	-110.04	289.03	3.13	-106.91
CC(C)(O[N-]S(=O)(=O)C1=CC(Br)=CC=C1F)C(=O)[O-]	REAL300017942064	1	28	-2.0	-118.99	290.68	4.68	-114.31
CC(C)(O[N-]S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300017942066	1	34	-2.0	-120.29	336.72	4.75	-115.54
CC(C)(O[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017942072	1	30	-2.0	-113.59	308.59	5.35	-108.24
COC(=O)C1=CC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C(C(=O)OC)S1	REAL300017942073	1	37	-2.0	-126.53	359.95	5.09	-121.44
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017942074	1	34	-2.0	-127.58	315.51	5.39	-122.19
CC(C)(O[N-]S(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300017942078	1	28	-2.0	-115.80	298.31	5.17	-110.63
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942081	0	34	-2.0	-92.42	304.24	4.85	-87.57
CC(C)(ONS(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942082	0	31	-2.0	-117.57	309.18	4.71	-112.86
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017942083	0	38	-2.0	-98.63	349.39	2.81	-95.82
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942084	0	39	-2.0	-97.70	348.82	5.81	-91.89
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942085	0	38	-2.0	-99.46	339.65	5.30	-94.16
COC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1CC(=O)[O-]	REAL300017942086	0	38	-2.0	-115.18	343.40	4.35	-110.83
CC1=CC(C)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017942087	0	37	-2.0	-117.13	324.36	5.51	-111.62
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942088	0	35	-2.0	-97.08	307.73	2.86	-94.22
COC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017942089	0	39	-2.0	-121.72	351.24	4.03	-117.69
CC(C)(ONS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1)C(=O)[O-]	REAL300017942090	0	42	-2.0	-96.48	369.78	5.28	-91.20
CCOC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017942091	0	38	-2.0	-105.32	342.08	5.19	-100.13
CC(C)(ONS(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942092	0	28	-2.0	-92.33	294.74	3.84	-88.49
CC(C)(ONS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942093	0	28	-2.0	-98.94	284.59	3.26	-95.68
CC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017942094	0	31	-2.0	-95.76	291.61	3.29	-92.47
CC(C)(ONS(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942095	0	37	-2.0	-106.02	335.12	3.99	-102.03
CC(C)(ONS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017942096	0	41	-2.0	-98.86	372.68	5.47	-93.39
CC(C)(ONS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017942097	0	35	-2.0	-98.52	340.04	5.04	-93.48
CC(C)(ONS(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017942098	0	41	-2.0	-98.25	382.48	5.95	-92.30
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017942099	0	38	-2.0	-100.13	344.09	5.21	-94.92
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017942100	0	44	-2.0	-100.20	386.53	6.14	-94.06
CC(C)(ONS(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942101	0	31	-2.0	-111.27	320.61	5.07	-106.20
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017942102	0	31	-2.0	-91.30	314.37	5.10	-86.20
CC(C)(O[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017942102	1	30	-3.0	-176.01	320.57	5.56	-170.45
CC(C)(ONS(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017942103	0	28	-2.0	-99.23	305.25	3.88	-95.35
CC(C)(O[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017942103	1	27	-3.0	-171.51	304.93	4.22	-167.29
CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017942104	0	37	-2.0	-123.80	317.74	5.43	-118.37
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942105	0	34	-2.0	-99.64	298.85	4.81	-94.83
CC(C)(ONS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942106	0	31	-2.0	-95.67	314.23	4.83	-90.84
CC(C)(ONS(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942107	0	31	-2.0	-95.52	299.34	4.29	-91.23
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942108	0	34	-2.0	-113.60	319.03	5.40	-108.20
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017942109	0	31	-2.0	-99.41	299.05	4.64	-94.77
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017942110	0	31	-2.0	-102.20	297.46	4.26	-97.94
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942111	0	34	-2.0	-92.44	312.96	5.25	-87.19
CC(C)(ONS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942112	0	31	-2.0	-113.66	313.64	4.75	-108.91
CC(C)(ONS(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942113	0	31	-2.0	-110.53	311.29	4.66	-105.87
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1F	REAL300017942114	0	34	-2.0	-97.39	315.43	4.87	-92.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1Br	REAL300017942115	0	34	-2.0	-93.71	317.90	5.25	-88.46
CC(C)(O[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300017942118	1	28	-2.0	-115.84	283.42	4.61	-111.23
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])C=C1Cl	REAL300017942122	1	35	-2.0	-123.04	339.54	3.58	-119.46
CC(C)(O[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300017942130	1	34	-2.0	-124.07	330.32	4.68	-119.39
CC(C)(O[N-]S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300017942131	1	34	-2.0	-120.15	347.04	5.21	-114.94
COC1=C(F)C=C(Br)C=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017942134	1	32	-2.0	-112.19	312.98	4.44	-107.75
CC(C)(O[N-]S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300017942138	1	27	-2.0	-104.82	290.97	3.08	-101.74
COC(=O)C1=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])C2=CC=CC=C2S1	REAL300017942142	1	37	-2.0	-128.01	350.37	6.66	-121.35
CC(C)(O[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300017942150	1	28	-2.0	-116.71	295.20	5.12	-111.59
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])S1	REAL300017942158	1	34	-2.0	-110.07	342.08	4.77	-105.30
CC(C)(O[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300017942172	1	28	-2.0	-115.04	297.10	5.20	-109.84
CC(C)(O[N-]S(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300017942175	1	28	-2.0	-120.60	289.98	4.67	-115.93
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017942181	0	31	-2.0	-91.48	311.70	5.03	-86.45
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942182	0	35	-2.0	-97.52	317.35	4.52	-93.00
CC(C)(ONS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942183	0	32	-2.0	-122.76	301.74	2.26	-120.50
CC(C)(ONS(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017942184	0	35	-2.0	-103.48	324.39	5.51	-97.97
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br)C(=O)[O-]	REAL300017942185	0	31	-2.0	-92.96	299.73	4.70	-88.26
CC(C)(ONS(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017942186	0	37	-2.0	-99.34	336.51	5.81	-93.53
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300017942187	0	31	-2.0	-96.88	295.15	4.24	-92.64
CC(C)(ONS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C(=O)[O-]	REAL300017942188	0	34	-2.0	-100.70	315.10	5.00	-95.70
COC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017942189	0	35	-2.0	-127.89	320.22	4.28	-123.61
CC(C)(ONS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017942190	0	35	-2.0	-100.32	324.03	4.50	-95.82
CC(C)(ONS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C(=O)[O-]	REAL300017942191	0	35	-2.0	-99.85	330.23	4.56	-95.29
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(=O)[O-]	REAL300017942192	0	31	-2.0	-103.49	295.07	4.25	-99.24
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C(=O)[O-]	REAL300017942193	0	31	-2.0	-99.58	305.43	4.62	-94.96
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942194	0	34	-2.0	-129.71	314.77	4.87	-124.84
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1)C(=O)[O-]	REAL300017942195	0	39	-2.0	-100.51	356.68	5.63	-94.88
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017942196	0	31	-2.0	-94.29	301.42	4.30	-89.99
CC(C)(O[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)[O-]	REAL300017942196	1	30	-3.0	-175.29	304.10	4.68	-170.61
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017942197	0	37	-2.0	-102.28	330.44	5.42	-96.86
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300017942198	0	33	-2.0	-93.64	321.12	4.89	-88.75
COC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017942199	0	35	-2.0	-104.50	326.54	4.72	-99.78
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1)C(=O)[O-]	REAL300017942200	0	31	-2.0	-98.92	309.17	4.72	-94.20
CC1=C(Br)C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017942201	0	34	-2.0	-115.39	330.78	5.38	-110.01
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942202	0	34	-2.0	-92.42	317.01	5.33	-87.09
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017942203	0	34	-2.0	-100.31	317.79	4.87	-95.44
CC1=CC(F)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017942204	0	34	-2.0	-96.75	311.21	4.78	-91.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1Cl	REAL300017942205	0	34	-2.0	-94.73	317.91	5.22	-89.51
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017942206	0	34	-2.0	-97.94	324.18	5.18	-92.76
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942207	0	34	-2.0	-113.52	314.47	5.30	-108.22
COC1=CC(Cl)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017942208	0	35	-2.0	-98.88	326.44	4.71	-94.17
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F)C(=O)[O-]	REAL300017942209	0	35	-2.0	-100.31	331.11	4.92	-95.39
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017942210	0	33	-2.0	-94.26	310.23	5.53	-88.73
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017942211	0	28	-2.0	-105.73	285.21	3.35	-102.38
CC(C)(ONS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C(=O)[O-]	REAL300017942212	0	34	-2.0	-99.16	315.10	4.99	-94.17
CC(C)(ONS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942213	0	33	-2.0	-127.01	319.50	5.31	-121.70
CC1=CC(C)=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017942214	0	43	-2.0	-124.86	354.16	6.99	-117.87
CC(C)(ONS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(=O)[O-]	REAL300017942215	0	33	-2.0	-104.99	315.81	6.04	-98.95
CC(C)(C)C1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017942216	0	40	-2.0	-115.18	346.24	5.97	-109.21
CC1=C(Cl)C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017942217	0	34	-2.0	-115.24	326.68	5.29	-109.95
CC1=C(F)C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017942218	0	34	-2.0	-114.00	317.88	4.90	-109.10
CC(C)(ONS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942219	0	37	-2.0	-129.98	333.98	6.35	-123.63
COC(=O)C1=COC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1	REAL300017942226	0	31	-2.0	-116.34	303.77	2.74	-113.60
COC(=O)C1=NSC=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017942251	1	30	-2.0	-123.46	297.13	2.70	-120.76
COC(=O)C1=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])SC=N1	REAL300017942252	0	30	-2.0	-125.81	300.93	2.35	-123.46
CC(C)(O[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300017942260	0	28	-2.0	-124.30	279.94	4.79	-119.51
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300017942264	0	27	-2.0	-115.51	282.86	3.44	-112.07
CC(C)(O[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017942281	1	31	-2.0	-117.19	302.87	5.63	-111.56
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1	REAL300017942289	1	37	-2.0	-124.40	346.01	5.63	-118.77
CC(C)(O[N-]S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300017942294	1	32	-2.0	-125.26	311.65	4.88	-120.38
CC1=NC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C(Br)N1C	REAL300017942297	0	31	-2.0	-126.37	305.35	3.47	-122.90
COC(=O)C1=CC=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])C(F)=C1	REAL300017942300	1	34	-2.0	-117.51	324.14	4.72	-112.79
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=N1	REAL300017942317	0	30	-2.0	-132.85	292.23	2.91	-129.94
COC1=CC=C(Br)C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1F	REAL300017942321	0	32	-2.0	-125.12	312.81	4.24	-120.88
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1OC	REAL300017942326	0	42	-2.0	-103.23	366.89	5.19	-98.04
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942327	0	35	-2.0	-99.69	317.39	4.54	-95.15
CC(C)(ONS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017942328	0	31	-2.0	-129.70	293.36	4.20	-125.50
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942344	0	33	-3.0	-183.37	321.35	4.78	-178.59
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942345	0	35	-2.0	-123.72	318.13	3.61	-120.11
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300017942346	0	31	-3.0	-186.57	295.36	3.56	-183.01
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C(=O)[O-]	REAL300017942346	1	32	-2.0	-94.58	295.86	2.81	-91.77
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C(=O)[O-]	REAL300017942347	0	30	-2.0	-99.53	289.16	2.35	-97.18
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017942348	0	34	-2.0	-95.49	303.46	4.86	-90.63
CC(C)(ONS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942349	0	28	-2.0	-94.31	289.32	3.14	-91.17
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942349	1	27	-3.0	-171.68	292.49	3.54	-168.14
CC(C)(O[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300017942350	1	34	-2.0	-117.60	330.73	4.90	-112.70
CC(C)(O[N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300017942352	0	25	-2.0	-116.01	265.65	2.68	-113.33
COC1=CC(F)=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])C=C1F	REAL300017942355	1	32	-2.0	-116.48	305.09	3.43	-113.05
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])S1	REAL300017942361	1	36	-2.0	-115.50	332.56	3.66	-111.84
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017942363	0	32	-2.0	-121.80	303.86	4.60	-117.20
CC1=CC(Cl)=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])C(Br)=C1	REAL300017942365	1	31	-2.0	-118.87	312.50	6.11	-112.76
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300017942367	1	34	-2.0	-125.14	317.56	4.64	-120.50
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017942371	1	33	-2.0	-133.70	305.63	3.59	-130.11
CC(C)(O[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300017942376	1	31	-2.0	-133.99	308.79	3.70	-130.29
COC1=CC=C(F)C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1OC	REAL300017942382	1	36	-2.0	-127.46	326.86	4.25	-123.21
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1	REAL300017942383	0	31	-2.0	-108.34	322.52	3.38	-104.96
CC(C)(O[N-]S(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300017942384	1	25	-2.0	-112.37	284.05	4.19	-108.18
CC(C)(ONS(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942387	0	35	-2.0	-118.18	336.71	4.77	-113.41
CC(C)(O[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017942392	1	31	-2.0	-126.88	293.31	3.21	-123.67
CC(C)(ONS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300017942394	0	29	-2.0	-108.58	299.72	4.02	-104.56
CC(C)(O[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300017942418	1	28	-2.0	-117.43	282.99	4.17	-113.26
CC(C)(O[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300017942431	1	28	-2.0	-118.66	281.19	4.04	-114.62
CC(C)(O[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017942432	1	31	-2.0	-117.13	292.55	5.18	-111.95
CC(C)(O[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300017942439	1	31	-2.0	-124.85	317.82	0.49	-124.36
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017942441	1	32	-2.0	-115.18	304.83	3.92	-111.26
CC(C)(ONS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017942450	0	31	-2.0	-130.01	297.88	4.24	-125.77
CC(C)(O[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F)C(=O)[O-]	REAL300017942450	1	30	-3.0	-188.86	300.51	4.61	-184.25
CC(C)(ONS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017942451	0	31	-2.0	-113.08	303.75	4.31	-108.77
CCN1N=CC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1Cl	REAL300017942456	1	31	-2.0	-113.43	305.58	2.93	-110.50
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C2	REAL300017942458	1	34	-2.0	-113.67	348.98	5.22	-108.45
CC(C)(O[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300017942459	0	28	-2.0	-117.60	293.69	4.91	-112.69
CC(C)(O[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300017942460	1	30	-2.0	-111.49	304.89	3.28	-108.21
CC(C)(O[N-]S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300017942461	1	33	-2.0	-131.54	320.34	5.18	-126.36
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017942464	0	32	-2.0	-126.93	315.71	5.02	-121.91
CC(C)(O[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017942467	0	28	-2.0	-113.11	291.40	4.61	-108.50
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])O1	REAL300017942468	1	34	-2.0	-128.15	327.54	0.29	-127.86
CCOC(=O)C1=N[N-]C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017942480	0	34	-2.0	-103.02	321.31	1.32	-101.70
CCOC(=O)C1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=N[N-]1	REAL300017942480	1	34	-2.0	-102.93	321.42	1.32	-101.61
COC1=CSC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1OC	REAL300017942481	1	33	-2.0	-120.54	316.89	2.00	-118.54
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017942488	0	32	-2.0	-120.92	318.01	5.18	-115.74
CC(C)(O[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300017942493	1	31	-2.0	-120.15	292.93	5.18	-114.97
CC(C)(O[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300017942495	0	25	-2.0	-107.27	288.95	4.10	-103.17
CC(C)(O[N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300017942501	0	25	-2.0	-115.79	282.38	4.01	-111.78
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017942525	1	31	-2.0	-116.82	306.59	1.69	-115.13
CC(C)(O[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300017942529	1	27	-2.0	-114.91	291.23	1.98	-112.93
CC(C)(O[N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017942532	1	31	-2.0	-124.68	303.17	5.64	-119.04
CC(C)(ONS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C(=O)[O-]	REAL300017942543	0	38	-2.0	-106.70	338.38	6.11	-100.59
CC(C)(O[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017942547	0	35	-2.0	-117.97	331.83	5.05	-112.92
CCC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017942554	0	34	-2.0	-111.44	317.28	4.06	-107.38
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCCC(O)C2)=C1	REAL300017942622	1	41	-2.0	-97.24	349.49	2.29	-94.95
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CCCCC(O)C2)=C(F)C(F)=C1F	REAL300017942642	1	41	-2.0	-94.06	353.45	2.37	-91.69
O=C([O-])C1=CC(S(=O)(=O)NCC2CCCCC(O)C2)=CC(C(=O)[O-])=C1	REAL300017942645	0	44	-2.0	-110.77	368.24	3.03	-107.74
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCC2CCCCC(O)C2)=C1	REAL300017942647	0	42	-2.0	-107.35	337.90	1.21	-106.14
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2(O)CCCC2)=C1	REAL300017942727	1	38	-2.0	-94.05	336.76	1.97	-92.08
O=C([O-])C1=CC(S(=O)(=O)[N-]CCC2(O)CCCC2)=C(F)C(F)=C1F	REAL300017942749	1	38	-2.0	-91.29	341.15	1.99	-89.30
O=C([O-])C1=CC(S(=O)(=O)NCCC2(O)CCCC2)=CC(C(=O)[O-])=C1	REAL300017942753	0	41	-2.0	-109.08	356.68	2.83	-106.25
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCCC2(O)CCCC2)=C1	REAL300017942755	0	39	-2.0	-103.19	325.65	0.87	-102.32
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942806	1	37	-2.0	-97.56	360.84	3.48	-94.08
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCC2=CN=C(C3=CC=CC=C3)O2)=C1	REAL300017942816	0	38	-2.0	-105.52	349.72	2.36	-103.16
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942866	1	36	-2.0	-104.31	350.84	2.90	-101.41
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCC2=CC=C3C=CC(=O)NC3=N2)=C1	REAL300017942876	0	37	-2.0	-111.88	339.71	1.78	-110.10
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017942901	0	47	-2.0	-108.85	396.64	4.14	-104.71
COC12CCC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)(CC1)C2	REAL300017942967	1	39	-2.0	-94.94	340.75	3.74	-91.20
COC12CCC([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(F)C(F)=C3F)(CC1)C2	REAL300017942987	1	39	-2.0	-92.08	345.17	3.77	-88.31
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)(CC1)C2	REAL300017942991	0	42	-2.0	-109.43	350.51	3.98	-105.45
COC12CCC(NS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])(CC1)C2	REAL300017942993	0	40	-2.0	-106.02	332.67	2.25	-103.77
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300017950247	1	32	-2.0	-112.53	319.86	4.75	-107.78
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300017950253	1	37	-2.0	-122.99	349.06	4.98	-118.01
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])O1	REAL300017950276	1	37	-2.0	-116.46	331.33	3.16	-113.30
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300017950294	1	37	-2.0	-122.50	338.73	4.53	-117.97
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])O1	REAL300017950366	1	34	-2.0	-115.36	313.43	2.59	-112.77
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017950368	0	33	-2.0	-142.49	300.87	5.47	-137.02
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017950371	1	31	-2.0	-123.95	292.99	4.68	-119.27
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017950379	0	33	-2.0	-120.12	318.84	6.44	-113.68
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])O1	REAL300017950392	1	37	-2.0	-115.46	335.29	3.51	-111.95
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017950397	1	34	-2.0	-127.41	312.34	5.92	-121.49
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017950398	1	33	-2.0	-121.34	315.15	5.96	-115.38
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017950401	1	28	-2.0	-119.82	286.19	3.38	-116.44
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017950406	1	30	-2.0	-112.18	303.12	3.09	-109.09
CCN1C=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017950410	1	36	-2.0	-124.07	324.20	4.64	-119.43
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017950411	1	33	-2.0	-127.58	307.59	5.17	-122.41
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017950414	1	33	-2.0	-124.62	315.20	5.96	-118.66
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300017950416	1	39	-2.0	-98.38	340.63	0.39	-97.99
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017950434	1	33	-2.0	-138.93	308.58	5.98	-132.95
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])C(=O)NC1=O	REAL300017950456	1	49	-2.0	-121.89	410.11	4.53	-117.36
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017950462	1	28	-2.0	-115.38	278.27	2.53	-112.85
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017950464	1	28	-2.0	-114.37	301.39	4.04	-110.33
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300017950479	0	32	-2.0	-120.13	304.41	4.43	-115.70
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017950498	1	30	-2.0	-111.31	299.31	2.99	-108.32
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017950524	1	31	-2.0	-113.07	309.05	4.93	-108.14
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300017950552	1	35	-2.0	-126.27	312.33	3.31	-122.96
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017950567	1	31	-2.0	-124.04	285.97	3.90	-120.14
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950584	0	37	-2.0	-110.50	327.82	5.53	-104.97
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300017950585	0	34	-2.0	-114.26	323.51	5.12	-109.14
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950586	0	41	-2.0	-99.20	362.83	3.18	-96.02
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950587	0	42	-2.0	-107.58	351.01	5.64	-101.94
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950588	0	41	-2.0	-111.03	342.26	5.06	-105.97
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1CC(=O)[O-]	REAL300017950589	0	41	-2.0	-117.92	357.73	4.76	-113.16
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017950590	0	40	-2.0	-120.59	341.62	5.96	-114.63
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950591	0	38	-2.0	-118.33	330.82	3.37	-114.96
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017950592	0	42	-2.0	-104.30	365.86	4.38	-99.92
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])C=C2)C1	REAL300017950593	0	45	-2.0	-99.09	383.25	5.67	-93.42
CCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017950594	0	41	-2.0	-125.04	356.40	5.60	-119.44
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(Br)S1	REAL300017950595	0	31	-2.0	-101.31	315.74	4.28	-97.03
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CS1	REAL300017950596	0	31	-2.0	-102.02	299.38	3.61	-98.41
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017950597	0	34	-2.0	-111.26	312.81	3.70	-107.56
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC2=C1OCCO2	REAL300017950598	0	40	-2.0	-118.46	349.85	4.34	-114.12
O=C([O-])CCCOC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300017950599	0	44	-2.0	-104.84	387.80	5.84	-99.00
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300017950600	0	38	-2.0	-101.54	355.15	5.41	-96.13
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017950601	0	41	-2.0	-100.77	358.74	5.56	-95.21
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300017950602	0	47	-2.0	-102.28	401.19	6.49	-95.79
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(Cl)=C1Cl	REAL300017950603	0	34	-2.0	-96.25	335.28	5.42	-90.83
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950604	0	34	-2.0	-101.54	336.72	5.60	-95.94
O=C([O-])C1=CC(Br)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950605	0	31	-2.0	-106.11	317.77	4.19	-101.92
CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017950606	0	40	-2.0	-105.06	342.16	5.98	-99.08
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950607	0	37	-2.0	-102.90	323.46	5.38	-97.52
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950608	0	34	-2.0	-98.41	328.90	5.18	-93.23
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950609	0	34	-2.0	-97.70	314.01	4.65	-93.05
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(Cl)=C1	REAL300017950610	0	34	-2.0	-96.45	319.35	5.17	-91.28
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300017950611	0	34	-2.0	-103.36	310.91	4.62	-98.74
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950612	0	37	-2.0	-111.77	336.53	5.92	-105.85
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(Cl)=C1F	REAL300017950613	0	34	-2.0	-98.11	328.31	5.10	-93.01
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(F)=C1Cl	REAL300017950614	0	34	-2.0	-95.68	325.95	5.02	-90.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300017950615	0	37	-2.0	-103.20	319.13	4.78	-98.42
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017950639	1	34	-2.0	-125.34	303.65	4.18	-121.16
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(Cl)C=C1Cl	REAL300017950686	0	34	-2.0	-102.42	334.16	5.53	-96.89
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950687	0	38	-2.0	-109.63	320.18	4.29	-105.34
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1O	REAL300017950688	0	35	-2.0	-119.00	316.06	2.68	-116.32
O=C([O-])C=CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950689	0	38	-2.0	-103.79	337.82	5.88	-97.91
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950690	0	34	-2.0	-112.00	324.59	5.32	-106.68
O=C([O-])CCC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950691	0	40	-2.0	-100.89	349.94	6.18	-94.71
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950692	0	34	-2.0	-103.83	300.32	4.14	-99.69
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950693	0	37	-2.0	-102.96	328.54	5.37	-97.59
COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017950694	0	38	-2.0	-124.45	334.55	4.70	-119.75
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950695	0	38	-2.0	-100.80	337.44	4.87	-95.93
O=C([O-])COC1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300017950696	0	38	-2.0	-103.23	345.35	4.94	-98.29
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300017950697	0	34	-2.0	-99.74	298.74	4.16	-95.58
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300017950698	0	34	-2.0	-99.92	318.88	4.98	-94.94
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950699	0	37	-2.0	-116.36	319.75	4.79	-111.57
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300017950700	0	42	-2.0	-101.59	370.10	6.00	-95.59
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950701	0	34	-2.0	-97.16	306.50	4.23	-92.93
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950701	1	33	-3.0	-185.54	314.06	4.41	-181.13
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017950702	0	40	-2.0	-116.80	340.48	5.65	-111.15
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950703	0	36	-2.0	-93.99	335.79	5.25	-88.74
COC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017950704	0	38	-2.0	-111.22	346.31	5.12	-106.10
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300017950705	0	34	-2.0	-99.16	322.62	5.08	-94.08
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017950706	0	37	-2.0	-115.68	332.42	5.23	-110.45
CC1=CC(F)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017950707	0	37	-2.0	-102.79	314.86	4.69	-98.10
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300017950708	0	37	-2.0	-112.04	338.06	5.74	-106.30
CC1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017950709	0	37	-2.0	-113.33	338.81	5.55	-107.78
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950710	0	37	-2.0	-96.35	334.01	5.82	-90.53
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017950711	0	38	-2.0	-117.82	348.46	5.22	-112.60
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(OC(F)(F)F)=C1	REAL300017950712	0	38	-2.0	-99.00	335.62	4.73	-94.27
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300017950713	0	36	-2.0	-92.75	325.17	6.06	-86.69
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950714	0	31	-2.0	-102.16	299.51	3.69	-98.47
O=C([O-])CC1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950715	0	37	-2.0	-115.10	329.43	5.40	-109.70
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017950716	0	36	-2.0	-116.21	331.48	5.73	-110.48
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017950717	0	46	-2.0	-113.27	369.35	7.33	-105.94
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300017950718	0	36	-2.0	-107.96	329.10	6.35	-101.61
CC(C)(C)C1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017950719	0	43	-2.0	-108.37	357.97	6.36	-102.01
CC1=C(Cl)C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017950720	0	37	-2.0	-98.17	337.51	5.54	-92.63
CC1=C(F)C=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017950721	0	37	-2.0	-97.33	328.81	5.15	-92.18
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC2=CC=CC=C21	REAL300017950722	0	40	-2.0	-122.72	348.57	6.71	-116.01
COC(=O)C1=COC(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950729	1	34	-2.0	-122.25	313.77	2.54	-119.71
COC(=O)C1=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])SC=N1	REAL300017950761	0	33	-2.0	-131.93	309.01	2.13	-129.80
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017950771	1	31	-2.0	-125.24	289.41	4.54	-120.70
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017950776	1	30	-2.0	-118.85	293.16	3.22	-115.63
CC1=NC(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])=C(Br)N1C	REAL300017950808	1	34	-2.0	-128.71	312.56	3.29	-125.42
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300017950829	0	33	-2.0	-133.47	300.98	2.75	-130.72
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300017950834	1	35	-2.0	-131.95	323.80	3.99	-127.96
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(F)C(F)=C1F	REAL300017950839	0	34	-2.0	-95.05	310.49	4.22	-90.83
O=C([O-])C1=CC(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])=C(F)C(F)=C1F	REAL300017950839	1	33	-3.0	-181.12	318.45	4.43	-176.69
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1OC	REAL300017950841	0	45	-2.0	-104.76	371.33	5.08	-99.68
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950842	0	38	-2.0	-101.12	321.09	4.29	-96.83
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300017950843	0	34	-2.0	-117.23	298.73	4.13	-113.10
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950858	0	36	-3.0	-175.46	336.09	5.14	-170.32
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950859	0	38	-2.0	-109.15	323.05	3.52	-105.63
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950860	0	34	-3.0	-183.25	300.45	3.14	-180.11
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950860	1	35	-2.0	-104.51	303.75	2.32	-102.19
O=C([O-])C1=CC=NC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950861	0	33	-2.0	-107.25	303.47	2.69	-104.56
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C(C(=O)[O-])=NN1	REAL300017950862	0	34	-2.0	-133.90	298.63	2.34	-131.56
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950863	0	37	-2.0	-116.90	326.60	5.34	-111.56
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C(Cl)O1	REAL300017950864	0	31	-2.0	-96.79	292.75	2.99	-93.80
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017950867	0	28	-2.0	-119.72	275.77	2.47	-117.25
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950879	1	35	-2.0	-127.02	311.36	4.42	-122.60
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300017950902	0	34	-2.0	-111.44	330.57	3.21	-108.23
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC(F)(F)F	REAL300017950905	0	38	-2.0	-114.62	351.04	5.18	-109.44
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017950910	1	34	-2.0	-130.93	303.33	2.99	-127.94
O=C([O-])[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017950912	0	32	-2.0	-104.08	304.65	3.68	-100.40
O=C([O-])C1=C(F)C=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300017950972	0	34	-2.0	-116.21	302.86	4.16	-112.05
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])=CC(F)=C1F	REAL300017950973	0	34	-2.0	-97.71	318.42	4.66	-93.05
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017950982	0	31	-2.0	-121.92	303.71	4.70	-117.22
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017950983	1	33	-2.0	-114.06	314.12	2.98	-111.08
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950987	1	35	-2.0	-129.39	326.73	4.77	-124.62
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017950990	1	31	-2.0	-115.12	301.42	4.40	-110.72
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C=C1Br	REAL300017972466	1	32	-2.0	-113.35	317.12	5.09	-108.26
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C1F	REAL300017972472	1	37	-2.0	-130.22	346.28	5.32	-124.90
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)O1	REAL300017972495	1	37	-2.0	-122.32	328.78	3.56	-118.76
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C1F	REAL300017972513	1	37	-2.0	-129.27	335.96	4.87	-124.40
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)O1	REAL300017972585	1	34	-2.0	-120.15	311.25	2.78	-117.37
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCC1	REAL300017972587	0	33	-2.0	-145.88	296.04	6.05	-139.83
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCC1	REAL300017972590	1	31	-2.0	-126.89	292.03	4.87	-122.02
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CCC1	REAL300017972598	0	33	-2.0	-118.80	321.64	6.62	-112.18
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)O1	REAL300017972611	1	37	-2.0	-116.75	332.87	3.79	-112.96
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CCC1	REAL300017972616	1	34	-2.0	-124.92	310.22	6.14	-118.78
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])CCC1	REAL300017972617	1	33	-2.0	-122.57	309.53	6.04	-116.53
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)C=CS2)CCC1	REAL300017972620	1	28	-2.0	-119.18	280.92	3.82	-115.36
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CCC1	REAL300017972625	1	30	-2.0	-115.19	302.01	3.26	-111.93
CCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C([N+](=O)[O-])=N1	REAL300017972629	1	36	-2.0	-129.74	323.84	4.84	-124.90
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCC1	REAL300017972630	1	33	-2.0	-132.12	304.75	5.44	-126.68
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])CCC1	REAL300017972633	1	33	-2.0	-124.40	312.33	6.14	-118.26
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C(F)=C1	REAL300017972635	1	39	-2.0	-100.80	333.43	0.52	-100.28
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCC1	REAL300017972653	1	33	-2.0	-128.74	299.06	6.23	-122.51
CCCCCCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(=O)NC1=O	REAL300017972675	1	49	-2.0	-131.81	407.38	4.86	-126.95
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCC1	REAL300017972681	1	28	-2.0	-120.13	276.08	2.70	-117.43
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)CCC1	REAL300017972683	1	28	-2.0	-111.80	298.68	4.39	-107.41
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(F)=C1	REAL300017972698	0	32	-2.0	-121.10	300.75	4.80	-116.30
O=C([O-])CC1([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCC1	REAL300017972717	1	30	-2.0	-106.38	298.94	3.17	-103.21
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCC1	REAL300017972743	1	31	-2.0	-112.02	309.26	5.05	-106.97
COC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(F)=C1	REAL300017972771	1	35	-2.0	-128.32	309.44	3.70	-124.62
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)CCC1	REAL300017972782	1	30	-2.0	-112.04	298.65	3.12	-108.92
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=CC(F)=C2F)CCC1	REAL300017972786	1	31	-2.0	-130.50	282.97	4.25	-126.25
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300017972803	0	37	-2.0	-107.54	317.67	5.64	-101.90
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)CCC1	REAL300017972804	0	34	-2.0	-117.88	312.41	5.07	-112.81
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300017972805	0	41	-2.0	-95.95	352.67	3.17	-92.78
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300017972806	0	42	-2.0	-109.51	343.43	5.94	-103.57
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300017972807	0	41	-2.0	-101.16	345.31	5.07	-96.09
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1CC(=O)[O-]	REAL300017972808	0	41	-2.0	-105.87	347.16	4.81	-101.06
CC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C(=O)[O-]	REAL300017972809	0	40	-2.0	-117.70	332.60	6.11	-111.59
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300017972810	0	38	-2.0	-114.62	320.77	3.40	-111.22
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CC(C(=O)[O-])=C1OC	REAL300017972811	0	42	-2.0	-125.87	354.49	4.39	-121.48
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(N3CC(C(=O)[O-])CC3=O)C=C2)CCC1	REAL300017972812	0	45	-2.0	-99.46	373.10	5.66	-93.80
CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C(=O)[O-]	REAL300017972813	0	41	-2.0	-111.58	345.85	5.64	-105.94
O=C([O-])CC1(NS(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)CCC1	REAL300017972814	0	31	-2.0	-113.63	299.38	4.32	-109.31
O=C([O-])CC1(NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)CCC1	REAL300017972815	0	31	-2.0	-105.31	287.88	3.61	-101.70
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C(C(=O)[O-])O1	REAL300017972816	0	34	-2.0	-108.01	296.22	3.45	-104.56
O=C([O-])CC1(NS(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)CCC1	REAL300017972817	0	40	-2.0	-115.15	338.90	4.46	-110.69
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1F	REAL300017972818	0	44	-2.0	-101.90	375.91	5.83	-96.07
O=C([O-])COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1Cl	REAL300017972819	0	38	-2.0	-102.41	343.28	5.40	-97.01
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CC=C1OCC(=O)[O-]	REAL300017972820	0	41	-2.0	-99.49	347.84	5.67	-93.82
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CC=C1OCCCC(=O)[O-]	REAL300017972821	0	47	-2.0	-101.27	390.28	6.60	-94.67
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)CCC1	REAL300017972822	0	34	-2.0	-112.34	323.89	5.42	-106.92
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)CCC1	REAL300017972823	0	34	-2.0	-109.14	321.69	5.51	-103.63
O=C([O-])CC1(NS(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)CCC1	REAL300017972824	0	31	-2.0	-96.93	305.95	4.62	-92.31
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C(C)=C1C(=O)[O-]	REAL300017972825	0	40	-2.0	-126.42	325.90	5.67	-120.75
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300017972826	0	37	-2.0	-98.68	311.97	5.35	-93.33
O=C([O-])CC1(NS(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CCC1	REAL300017972827	0	34	-2.0	-99.14	317.99	5.28	-93.86
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)CCC1	REAL300017972828	0	34	-2.0	-98.18	303.11	4.75	-93.43
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O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)CCC1	REAL300017972905	0	34	-2.0	-112.47	316.61	5.44	-107.03
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O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300017972908	0	38	-2.0	-101.20	327.67	5.88	-95.32
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)CCC1	REAL300017972909	0	34	-2.0	-108.36	314.35	5.42	-102.94
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O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CCC1	REAL300017972911	0	34	-2.0	-108.00	290.75	4.35	-103.65
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COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C(=O)[O-]	REAL300017972913	0	38	-2.0	-118.19	324.01	4.74	-113.45
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O=C([O-])COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1F	REAL300017972915	0	38	-2.0	-104.97	333.47	4.93	-100.04
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)CCC1	REAL300017972916	0	34	-2.0	-100.68	290.74	4.37	-96.31
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)CCC1	REAL300017972917	0	34	-2.0	-95.95	309.20	5.07	-90.88
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300017972918	0	37	-2.0	-109.25	310.27	4.98	-104.27
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300017972919	0	42	-2.0	-97.90	359.95	5.99	-91.91
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCC1	REAL300017972920	0	34	-2.0	-100.83	297.59	4.36	-96.47
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCC1	REAL300017972920	1	33	-3.0	-185.74	311.37	4.82	-180.92
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CC(C(=O)[O-])=C1C	REAL300017972921	0	40	-2.0	-125.98	333.81	5.78	-120.20
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CCC1	REAL300017972922	0	36	-2.0	-93.70	324.92	5.35	-88.35
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C(Cl)C=C1C(=O)[O-]	REAL300017972923	0	38	-2.0	-112.24	331.48	5.12	-107.12
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)CCC1	REAL300017972924	0	34	-2.0	-95.31	312.94	5.17	-90.14
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CC(C(=O)[O-])=C1F	REAL300017972925	0	37	-2.0	-107.49	321.05	5.23	-102.26
CC1=CC(F)=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C(=O)[O-]	REAL300017972926	0	37	-2.0	-109.92	311.48	4.94	-104.98
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1Cl	REAL300017972927	0	37	-2.0	-116.56	325.40	5.63	-110.93
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CC(C(=O)[O-])=C1Cl	REAL300017972928	0	37	-2.0	-104.78	327.44	5.54	-99.24
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300017972929	0	37	-2.0	-95.12	323.80	5.93	-89.19
COC1=CC(Cl)=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C(=O)[O-]	REAL300017972930	0	38	-2.0	-121.01	333.88	5.14	-115.87
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)CCC1	REAL300017972931	0	38	-2.0	-106.75	339.71	4.81	-101.94
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])CCC1	REAL300017972932	0	36	-2.0	-93.36	315.40	6.10	-87.26
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)CCC1	REAL300017972933	0	31	-2.0	-106.15	287.79	3.67	-102.48
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300017972934	0	37	-2.0	-109.01	318.39	5.36	-103.65
O=C([O-])CC1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)CCC1	REAL300017972935	0	36	-2.0	-113.94	323.08	5.74	-108.20
CC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C(C)=C1CC(=O)[O-]	REAL300017972936	0	46	-2.0	-99.61	357.04	7.34	-92.27
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])CCC1	REAL300017972937	0	36	-2.0	-109.95	320.51	6.59	-103.36
CC(C)(C)C1=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C(C(=O)[O-])S1	REAL300017972938	0	43	-2.0	-101.22	345.04	6.29	-94.93
CC1=C(Cl)C=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C(=O)[O-]	REAL300017972939	0	37	-2.0	-100.30	326.04	5.51	-94.79
CC1=C(F)C=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C(=O)[O-]	REAL300017972940	0	37	-2.0	-99.98	317.37	5.12	-94.86
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)CCC1	REAL300017972941	0	40	-2.0	-133.47	337.17	6.74	-126.73
COC(=O)C1=COC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C1	REAL300017972948	1	34	-2.0	-121.75	311.22	2.93	-118.82
COC(=O)C1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)SC=N1	REAL300017972980	0	33	-2.0	-124.51	306.32	2.42	-122.09
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCC1	REAL300017972990	1	31	-2.0	-128.86	288.45	4.74	-124.12
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCC1	REAL300017972995	1	30	-2.0	-117.86	290.47	3.56	-114.30
C[C@@H]1CN(CC2=CC(Cl)=CC(F)=C2[O-])C[C@@H](C(=O)[O-])O1	REAL300018122968	0	33	-2.0	-97.54	295.16	4.64	-92.90
O=C([O-])C1=CC=C2CN(CC3=CC=CC(Cl)=C3[O-])CC2=C1	REAL300018291892	0	33	-2.0	-96.35	301.19	6.25	-90.10
O=C([O-])C1=CC=C2CN(CC3=CC(Cl)=CC(F)=C3[O-])CC2=C1	REAL300018291893	0	33	-2.0	-95.10	307.65	6.23	-88.87
CC(NC(=O)C1=CC=C(NCC2=CC=CC(Cl)=C2[O-])C=C1)C(=O)[O-]	REAL300018325881	1	39	-2.0	-86.82	352.97	5.61	-81.21
CC(NC(=O)C1=CC=C(NCC2=CC(Cl)=CC(F)=C2[O-])C=C1)C(=O)[O-]	REAL300018325882	1	39	-2.0	-87.61	360.26	5.58	-82.03
O=C([O-])C1=CC=CC(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)=C1	REAL300018723301	0	32	-2.0	-119.06	309.16	3.27	-115.79
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)C=C1	REAL300018723302	0	32	-2.0	-103.62	309.15	3.28	-100.34
CC(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CN=C1	REAL300018723303	0	34	-2.0	-124.47	307.94	2.15	-122.32
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)N=C1	REAL300018723304	0	31	-2.0	-101.96	305.19	1.36	-100.60
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)C=N1	REAL300018723305	0	31	-2.0	-103.06	305.02	1.49	-101.57
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)C1	REAL300018723306	0	35	-2.0	-114.19	314.62	2.72	-111.47
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CN=C1	REAL300018723307	0	37	-2.0	-126.43	322.77	2.46	-123.97
O=C([O-])CCCCC(=O)[N-]S(=O)(=O)CC1=CC=CN=C1	REAL300018723308	0	34	-2.0	-104.36	315.21	2.56	-101.80
O=C([O-])COC1=CC=C(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)C=C1	REAL300018723309	0	36	-2.0	-101.74	340.16	3.56	-98.18
O=C([O-])COC1=CC=CC(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)=C1	REAL300018723310	0	36	-2.0	-113.10	340.23	3.55	-109.55
O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)CC=CC1	REAL300018723311	0	33	-2.0	-125.67	304.05	2.61	-123.06
CC(C)(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CN=C1	REAL300018723312	0	37	-2.0	-121.70	318.11	2.46	-119.24
O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)CC2CCC1C2	REAL300018723313	0	39	-2.0	-131.18	332.11	3.47	-127.71
O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)CC1	REAL300018723314	0	38	-2.0	-126.14	327.49	3.21	-122.93
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CN=C1	REAL300018723315	0	35	-2.0	-121.05	311.12	2.88	-118.17
O=C([O-])C(C(=O)[N-]S(=O)(=O)CC1=CC=CN=C1)C1CCCC1	REAL300018723316	0	38	-2.0	-128.72	334.12	3.40	-125.32
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)=C1	REAL300018723317	0	35	-2.0	-112.61	330.55	3.93	-108.68
O=C([O-])CN1C=C(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)N=N1	REAL300018723318	0	31	-2.0	-107.83	308.60	-0.17	-108.00
O=C([O-])COCC1=C(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)N=CO1	REAL300018723319	0	35	-2.0	-123.68	339.67	-1.42	-125.10
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CN=C1	REAL300018723320	0	41	-2.0	-125.54	346.20	3.36	-122.18
O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)CCCO1	REAL300018723321	0	33	-2.0	-127.58	306.44	1.07	-126.51
CN1N=C(C(=O)[O-])C=C1C(=O)[N-]S(=O)(=O)CC1=CC=CN=C1	REAL300018723322	0	32	-2.0	-111.63	310.09	1.37	-110.26
O=C([O-])CCC1CC(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)CO1	REAL300018723323	0	39	-2.0	-102.36	348.36	1.87	-100.49
O=C([O-])C=CC1=CC(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)=CO1	REAL300018723324	0	33	-2.0	-105.22	325.96	2.67	-102.55
O=C(C=CC1=CC=C(C(=O)[O-])O1)[N-]S(=O)(=O)CC1=CC=CN=C1	REAL300018723325	0	33	-2.0	-105.53	327.52	2.99	-102.54
O=C([O-])CN1C=CC=C(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)C1=O	REAL300018723326	0	35	-2.0	-125.10	333.58	3.01	-122.09
CC(C)(C(=O)[O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)C=C1	REAL300018723327	0	41	-2.0	-109.09	362.24	4.91	-104.18
O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)CCCC1	REAL300018723328	0	35	-2.0	-125.99	311.90	2.71	-123.28
O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)C1	REAL300018723329	0	38	-2.0	-117.48	334.02	3.41	-114.07
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2=CC=CN=C2)C(Br)=C1	REAL300018723330	0	32	-2.0	-100.48	325.37	3.84	-96.64
NC(=O)CS(=O)(=O)[N-]C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300018723331	0	31	-2.0	-108.34	301.43	-1.62	-109.96
NC(=O)CS(=O)(=O)[N-]C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300018723332	0	31	-2.0	-120.91	301.50	-1.63	-122.54
NC(=O)CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC2CCC1C2	REAL300018723333	0	34	-2.0	-135.75	293.41	-1.71	-137.46
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)CC(N)=O)=C1	REAL300018723334	0	30	-2.0	-116.25	291.82	-1.25	-117.50
NC(=O)CS(=O)(=O)[N-]C(=O)C1=C(COCC(=O)[O-])OC=N1	REAL300018723335	0	30	-2.0	-131.31	300.93	-6.60	-137.91
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC(N)=O	REAL300018723336	0	36	-2.0	-130.89	305.89	-1.70	-132.59
NC(=O)CS(=O)(=O)[N-]C(=O)C1COC(CCC(=O)[O-])C1	REAL300018723337	0	34	-2.0	-108.55	309.74	-3.24	-111.79
NC(=O)CS(=O)(=O)[N-]C(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300018723338	0	28	-2.0	-112.70	287.23	-2.50	-115.20
NC(=O)CS(=O)(=O)[N-]C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300018723339	0	28	-2.0	-110.98	288.79	-2.20	-113.18
NC(=O)CS(=O)(=O)[N-]C(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300018723340	0	30	-2.0	-128.53	294.85	-2.17	-130.70
CC(C)(C(=O)[O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC(N)=O)C=C1	REAL300018723341	0	36	-2.0	-116.65	325.26	-0.24	-116.89
NC(=O)CS(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300018723342	0	27	-2.0	-106.79	286.63	-1.34	-108.13
CC1=C(S(=O)(=O)[N-]C(=O)C2=CC=CC(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300018723343	0	38	-2.0	-135.12	344.63	5.64	-129.48
CC1=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2)C2=NC=CC=C2C=C1	REAL300018723344	0	38	-2.0	-119.03	344.60	5.59	-113.44
CC1=C(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300018723345	0	37	-2.0	-145.47	324.13	4.78	-140.69
CC1=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300018723346	0	40	-2.0	-145.37	338.26	4.55	-140.82
CC1=C(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300018723347	0	37	-2.0	-130.54	329.18	4.16	-126.38
CC1=C(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300018723348	0	35	-2.0	-134.74	321.31	3.44	-131.30
CC1=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=N2)C2=NC=CC=C2C=C1	REAL300018723349	0	37	-2.0	-118.02	340.82	3.71	-114.31
CC1=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])N=C2)C2=NC=CC=C2C=C1	REAL300018723350	0	37	-2.0	-118.55	340.49	3.86	-114.69
CC1=C(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300018723351	0	41	-2.0	-132.33	349.79	5.11	-127.22
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300018723352	0	43	-2.0	-142.38	356.98	5.09	-137.29
CC1=C(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300018723353	0	40	-2.0	-120.87	350.68	4.94	-115.93
CC1=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)C2=NC=CC=C2C=C1	REAL300018723354	0	38	-2.0	-144.70	330.14	4.45	-140.25
CC1=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)C2=NC=CC=C2C=C1	REAL300018723355	0	39	-2.0	-147.40	339.69	4.97	-142.43
CC1=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C)C2=NC=CC=C2C=C1	REAL300018723356	0	43	-2.0	-143.12	353.58	4.86	-138.26
CC1=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300018723357	0	38	-2.0	-145.96	337.45	4.78	-141.18
CC1=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)C2=NC=CC=C2C=C1	REAL300018723358	0	45	-2.0	-153.41	367.62	5.80	-147.61
CC1=C(S(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300018723359	0	44	-2.0	-144.19	361.64	5.59	-138.60
CC1=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2(C)C)C2=NC=CC=C2C=C1	REAL300018723360	0	41	-2.0	-144.03	346.59	5.32	-138.71
CC1=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CCCC2)C2=NC=CC=C2C=C1	REAL300018723361	0	44	-2.0	-149.48	370.21	5.79	-143.69
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)C2=C(C)C=CC3=CC=CN=C32)=C1	REAL300018723362	0	41	-2.0	-131.23	366.01	6.24	-124.99
CC1=C(S(=O)(=O)[N-]C(=O)C2=CN(CC(=O)[O-])N=N2)C2=NC=CC=C2C=C1	REAL300018723363	0	37	-2.0	-125.03	344.06	2.12	-122.91
CC1=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C2=NC=CC=C2C=C1	REAL300018723364	0	47	-2.0	-147.48	381.97	5.79	-141.69
CC1=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCO2)C2=NC=CC=C2C=C1	REAL300018723365	0	39	-2.0	-151.56	341.91	3.46	-148.10
CC1=C(S(=O)(=O)[N-]C(=O)C2=CC(C(=O)[O-])=NN2C)C2=NC=CC=C2C=C1	REAL300018723366	0	38	-2.0	-124.99	345.72	3.71	-121.28
CC1=C(S(=O)(=O)[N-]C(=O)C2COC(CCC(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300018723367	0	45	-2.0	-117.17	383.82	4.19	-112.98
CC1=C(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C2=NC=CC=C2C=C1	REAL300018723368	0	38	-2.0	-144.18	334.02	4.61	-139.57
CC1=C(S(=O)(=O)[N-]C(=O)C2=COC(C=CC(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300018723369	0	39	-2.0	-119.33	361.43	5.03	-114.30
CC1=C(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300018723370	0	38	-2.0	-142.24	334.17	4.55	-137.69
CC1=C(S(=O)(=O)[N-]C(=O)C=CC2=CC=C(C(=O)[O-])O2)C2=NC=CC=C2C=C1	REAL300018723371	0	39	-2.0	-122.00	362.98	5.29	-116.71
CC1=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCC2)C2=NC=CC=C2C=C1	REAL300018723372	0	41	-2.0	-147.71	347.54	5.07	-142.64
CC1=C(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300018723373	0	44	-2.0	-132.86	369.01	5.74	-127.12
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018723374	0	31	-2.0	-128.83	302.98	3.72	-125.11
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018723375	0	31	-2.0	-111.07	302.97	3.73	-107.34
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300018723376	0	30	-2.0	-108.54	299.01	1.80	-106.74
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CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	REAL300018723379	0	36	-2.0	-130.87	316.58	2.91	-127.96
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300018723380	0	35	-2.0	-109.22	333.99	4.01	-105.21
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CC(C)(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	REAL300018723382	0	36	-2.0	-127.01	311.94	2.91	-124.10
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)CC1	REAL300018723383	0	38	-2.0	-136.80	325.97	3.92	-132.88
N#CC1(CS(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)CC1	REAL300018723384	0	37	-2.0	-111.43	327.86	3.85	-107.58
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	REAL300018723385	0	34	-2.0	-127.71	310.46	3.21	-124.50
N#CC1(CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CCCC2)CC1	REAL300018723386	0	37	-2.0	-129.41	322.42	3.95	-125.46
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)=C1	REAL300018723387	0	34	-2.0	-117.50	324.39	4.37	-113.13
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CN(CC(=O)[O-])N=N2)CC1	REAL300018723388	0	30	-2.0	-113.96	302.42	0.28	-113.68
N#CC1(CS(=O)(=O)[N-]C(=O)C2=C(COCC(=O)[O-])OC=N2)CC1	REAL300018723389	0	34	-2.0	-132.32	333.49	-0.98	-133.30
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	REAL300018723390	0	40	-2.0	-129.53	340.03	3.82	-125.71
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCO2)CC1	REAL300018723391	0	32	-2.0	-136.11	300.28	1.54	-134.57
CN1N=C(C(=O)[O-])C=C1C(=O)[N-]S(=O)(=O)CC1(C#N)CC1	REAL300018723392	0	31	-2.0	-120.57	303.91	1.82	-118.75
N#CC1(CS(=O)(=O)[N-]C(=O)C2COC(CCC(=O)[O-])C2)CC1	REAL300018723393	0	38	-2.0	-110.55	342.18	2.32	-108.23
N#CC1(CS(=O)(=O)[N-]C(=O)C2=COC(C=CC(=O)[O-])=C2)CC1	REAL300018723394	0	32	-2.0	-113.41	319.78	3.13	-110.28
N#CC1(CS(=O)(=O)[N-]C(=O)C=CC2=CC=C(C(=O)[O-])O2)CC1	REAL300018723395	0	32	-2.0	-111.64	321.35	3.44	-108.20
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=CN(CC(=O)[O-])C2=O)CC1	REAL300018723396	0	34	-2.0	-129.22	327.42	3.46	-125.76
CC(C)(C(=O)[O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)C=C1	REAL300018723397	0	40	-2.0	-117.27	356.06	5.35	-111.92
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCC2)CC1	REAL300018723398	0	34	-2.0	-132.43	305.73	3.16	-129.27
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300018723399	0	37	-2.0	-125.68	327.33	3.83	-121.85
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300018723400	0	31	-2.0	-107.91	319.19	4.30	-103.61
CCC(C)S(=O)(=O)[N-]C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300018723401	0	36	-2.0	-100.84	322.09	3.97	-96.87
CCC(C)S(=O)(=O)[N-]C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300018723402	0	36	-2.0	-112.85	322.17	3.96	-108.89
CCC(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC2CCC1C2	REAL300018723403	0	39	-2.0	-131.57	313.86	3.87	-127.70
CCC(C)S(=O)(=O)[N-]C(=O)C1=C(COCC(=O)[O-])OC=N1	REAL300018723404	0	35	-2.0	-124.23	321.60	-1.02	-125.25
CCC(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	REAL300018723405	0	41	-2.0	-126.71	326.55	3.88	-122.83
CCC(C)S(=O)(=O)[N-]C(=O)C1COC(CCC(=O)[O-])C1	REAL300018723406	0	39	-2.0	-100.62	330.18	2.33	-98.29
CCC(C)S(=O)(=O)[N-]C(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300018723407	0	33	-2.0	-104.32	307.89	3.09	-101.23
CCC(C)S(=O)(=O)[N-]C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300018723408	0	33	-2.0	-104.45	309.46	3.38	-101.07
CCC(C)S(=O)(=O)[N-]C(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300018723409	0	35	-2.0	-123.73	315.29	3.39	-120.34
CCC(C)S(=O)(=O)[N-]C(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300018723410	0	41	-2.0	-108.68	344.17	5.30	-103.38
CCC(C)S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300018723411	0	32	-2.0	-99.23	307.08	4.22	-95.01
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018723412	0	37	-2.0	-121.72	343.83	4.36	-117.36
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300018723413	0	37	-2.0	-106.30	343.82	4.37	-101.93
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])=C1	REAL300018723414	0	36	-2.0	-130.24	323.33	3.29	-126.95
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)C)=C1	REAL300018723415	0	39	-2.0	-128.92	342.61	3.23	-125.69
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)CCCC(=O)[O-])=C1	REAL300018723416	0	36	-2.0	-116.24	328.39	2.87	-113.37
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)COCC(=O)[O-])=C1	REAL300018723417	0	34	-2.0	-120.32	320.51	2.01	-118.31
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=N2)=C1	REAL300018723418	0	36	-2.0	-104.95	339.86	2.44	-102.51
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])N=C2)=C1	REAL300018723419	0	36	-2.0	-105.77	339.69	2.57	-103.20
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300018723420	0	40	-2.0	-117.34	349.30	3.80	-113.54
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CC(OC)=C1	REAL300018723421	0	42	-2.0	-130.93	357.44	3.55	-127.38
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])=C1	REAL300018723422	0	39	-2.0	-107.06	349.88	3.65	-103.41
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018723423	0	41	-2.0	-104.39	374.83	4.65	-99.74
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300018723424	0	41	-2.0	-115.60	374.91	4.63	-110.97
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)=C1	REAL300018723425	0	37	-2.0	-127.38	329.18	3.18	-124.20
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)=C1	REAL300018723426	0	38	-2.0	-130.10	338.73	3.69	-126.41
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C)=C1	REAL300018723427	0	42	-2.0	-127.17	352.78	3.54	-123.63
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CC2)=C1	REAL300018723428	0	37	-2.0	-129.58	336.65	3.44	-126.14
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)=C1	REAL300018723429	0	44	-2.0	-135.35	366.78	4.55	-130.80
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)=C1	REAL300018723430	0	43	-2.0	-126.32	360.85	4.27	-122.05
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2(C)C)=C1	REAL300018723431	0	40	-2.0	-124.74	345.80	3.97	-120.77
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CCCC2)=C1	REAL300018723432	0	43	-2.0	-128.23	363.27	4.58	-123.65
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2=CC(C)=CC(C(=O)[O-])=C2)=C1	REAL300018723433	0	40	-2.0	-116.36	365.22	5.01	-111.35
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2=CN(CC(=O)[O-])N=N2)=C1	REAL300018723434	0	36	-2.0	-110.90	343.27	0.92	-109.98
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2=C(COCC(=O)[O-])OC=N2)=C1	REAL300018723435	0	40	-2.0	-126.79	374.32	-0.34	-127.13
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)=C1	REAL300018723436	0	46	-2.0	-128.58	380.88	4.46	-124.12
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCO2)=C1	REAL300018723437	0	38	-2.0	-131.49	341.12	2.15	-129.34
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2=CC(C(=O)[O-])=NN2C)=C1	REAL300018723438	0	37	-2.0	-113.95	344.76	2.45	-111.50
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2COC(CCC(=O)[O-])C2)=C1	REAL300018723439	0	44	-2.0	-104.90	383.03	2.96	-101.94
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300018723440	0	37	-2.0	-125.90	333.76	3.40	-122.50
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2=COC(C=CC(=O)[O-])=C2)=C1	REAL300018723441	0	38	-2.0	-107.51	360.64	3.76	-103.75
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]2C(=O)[O-])=C1	REAL300018723442	0	37	-2.0	-124.98	333.37	3.25	-121.73
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C=CC2=CC=C(C(=O)[O-])O2)=C1	REAL300018723443	0	38	-2.0	-108.47	362.20	4.07	-104.40
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2=CC=CN(CC(=O)[O-])C2=O)=C1	REAL300018723444	0	40	-2.0	-129.40	368.27	4.10	-125.30
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300018723445	0	46	-2.0	-111.74	396.92	5.99	-105.75
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCC2)=C1	REAL300018723446	0	40	-2.0	-130.49	346.58	3.79	-126.70
COC1=CC=CC(CS(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300018723447	0	43	-2.0	-120.25	368.70	4.49	-115.76
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300018723448	0	32	-2.0	-120.61	308.08	2.98	-117.63
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300018723449	0	32	-2.0	-103.78	307.49	3.18	-100.60
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300018723450	0	31	-2.0	-101.30	303.52	1.25	-100.05
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300018723451	0	31	-2.0	-103.01	303.36	1.39	-101.62
COC(=O)C(C)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300018723452	0	35	-2.0	-119.10	313.04	2.66	-116.44
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C(C)C(=O)OC	REAL300018723453	0	37	-2.0	-124.67	321.11	2.36	-122.31
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300018723454	0	36	-2.0	-102.45	338.50	3.46	-98.99
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300018723455	0	36	-2.0	-114.83	339.15	3.27	-111.56
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1	REAL300018723456	0	33	-2.0	-123.80	302.97	2.32	-121.48
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C	REAL300018723457	0	37	-2.0	-120.96	317.04	2.17	-118.79
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC2CCC1C2	REAL300018723458	0	39	-2.0	-130.49	331.06	3.19	-127.30
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1CCC(C(=O)[O-])CC1	REAL300018723459	0	38	-2.0	-127.76	326.42	2.92	-124.84
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC1(C)C	REAL300018723460	0	35	-2.0	-118.82	310.06	2.60	-116.22
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C1CCCC1	REAL300018723461	0	38	-2.0	-122.71	326.94	3.39	-119.32
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=CC(C)=CC(C(=O)[O-])=C1	REAL300018723462	0	35	-2.0	-110.70	328.89	3.82	-106.88
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=CN(CC(=O)[O-])N=N1	REAL300018723463	0	31	-2.0	-107.52	307.53	-0.46	-107.98
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=C(COCC(=O)[O-])OC=N1	REAL300018723464	0	35	-2.0	-124.67	338.00	-1.53	-126.20
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	REAL300018723465	0	41	-2.0	-125.60	342.96	3.37	-122.23
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCO1	REAL300018723466	0	33	-2.0	-127.26	305.36	0.78	-126.48
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=CC(C(=O)[O-])=NN1C	REAL300018723467	0	32	-2.0	-112.69	308.46	1.07	-111.62
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1COC(CCC(=O)[O-])C1	REAL300018723468	0	39	-2.0	-103.00	347.39	1.65	-101.35
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300018723469	0	33	-2.0	-106.38	324.30	2.58	-103.80
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300018723470	0	33	-2.0	-105.29	326.44	2.69	-102.60
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300018723471	0	35	-2.0	-122.94	331.92	2.91	-120.03
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300018723472	0	41	-2.0	-109.93	360.58	4.79	-105.14
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCC1	REAL300018723473	0	35	-2.0	-123.82	310.25	2.60	-121.22
COC(=O)C(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300018723474	0	38	-2.0	-118.12	332.41	3.09	-115.03
COC(=O)C(C)S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300018723475	0	32	-2.0	-100.93	323.71	3.74	-97.19
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018723476	0	40	-2.0	-115.38	363.83	4.83	-110.55
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300018723477	0	40	-2.0	-101.03	363.81	4.84	-96.19
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])C=C1	REAL300018723478	0	39	-2.0	-124.45	343.32	3.96	-120.49
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)C)C=C1	REAL300018723479	0	42	-2.0	-121.72	357.45	3.74	-117.98
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])C=C1	REAL300018723480	0	39	-2.0	-110.92	348.38	3.35	-107.57
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])C=C1	REAL300018723481	0	37	-2.0	-114.76	340.51	2.62	-112.14
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300018723482	0	39	-2.0	-100.32	359.85	2.91	-97.41
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300018723483	0	39	-2.0	-100.79	359.68	3.05	-97.74
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300018723484	0	43	-2.0	-113.64	368.98	4.30	-109.34
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-])C=C1	REAL300018723485	0	45	-2.0	-126.09	377.44	4.02	-122.07
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])C=C1	REAL300018723486	0	42	-2.0	-102.35	369.87	4.13	-98.22
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018723487	0	44	-2.0	-99.22	394.83	5.13	-94.09
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300018723488	0	44	-2.0	-109.80	394.90	5.11	-104.69
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)C=C1	REAL300018723489	0	40	-2.0	-122.19	349.85	3.80	-118.39
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)C=C1	REAL300018723490	0	41	-2.0	-124.83	358.74	4.18	-120.65
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C)C=C1	REAL300018723491	0	45	-2.0	-121.55	371.05	4.19	-117.36
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CC2)C=C1	REAL300018723492	0	40	-2.0	-124.35	356.65	3.95	-120.40
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300018723493	0	47	-2.0	-131.93	386.77	5.04	-126.89
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)C=C1	REAL300018723494	0	46	-2.0	-122.54	380.85	4.78	-117.76
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2(C)C)C=C1	REAL300018723495	0	43	-2.0	-121.00	365.80	4.51	-116.49
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CCCC2)C=C1	REAL300018723496	0	46	-2.0	-124.26	384.96	5.03	-119.23
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300018723497	0	43	-2.0	-111.76	385.22	5.48	-106.28
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CN(CC(=O)[O-])N=N2)C=C1	REAL300018723498	0	39	-2.0	-106.80	363.27	1.37	-105.43
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=C(COCC(=O)[O-])OC=N2)C=C1	REAL300018723499	0	43	-2.0	-122.80	394.34	0.16	-122.64
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C=C1	REAL300018723500	0	49	-2.0	-125.41	400.87	5.00	-120.41
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCO2)C=C1	REAL300018723501	0	41	-2.0	-127.85	361.11	2.64	-125.21
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC(C(=O)[O-])=NN2C)C=C1	REAL300018723502	0	40	-2.0	-107.54	364.77	2.92	-104.62
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2COC(CCC(=O)[O-])C2)C=C1	REAL300018723503	0	47	-2.0	-100.28	403.03	3.44	-96.84
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300018723504	0	40	-2.0	-120.24	350.56	3.98	-116.26
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=COC(C=CC(=O)[O-])=C2)C=C1	REAL300018723505	0	41	-2.0	-102.06	380.63	4.21	-97.85
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300018723506	0	40	-2.0	-120.49	353.40	3.73	-116.76
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C=CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018723507	0	41	-2.0	-104.00	382.19	4.54	-99.46
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=CN(CC(=O)[O-])C2=O)C=C1	REAL300018723508	0	43	-2.0	-125.42	388.26	4.57	-120.85
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCC2)C=C1	REAL300018723509	0	43	-2.0	-125.53	366.58	4.26	-121.27
CCCOC1=CC=C(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300018723510	0	46	-2.0	-114.44	388.70	4.97	-109.47
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300018723511	0	45	-2.0	-116.26	389.36	5.27	-110.99
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300018723512	0	45	-2.0	-102.38	382.51	4.81	-97.57
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-]	REAL300018723513	0	44	-2.0	-125.33	368.96	4.37	-120.96
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)C	REAL300018723514	0	47	-2.0	-125.19	376.80	3.54	-121.65
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)CCCC(=O)[O-]	REAL300018723515	0	44	-2.0	-112.04	373.89	3.79	-108.25
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)COCC(=O)[O-]	REAL300018723516	0	42	-2.0	-115.87	366.01	3.07	-112.80
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300018723517	0	44	-2.0	-101.73	385.35	3.35	-98.38
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300018723518	0	44	-2.0	-102.28	379.78	3.06	-99.22
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300018723519	0	48	-2.0	-113.74	388.74	4.27	-109.47
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300018723520	0	50	-2.0	-123.60	393.19	4.04	-119.56
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-]	REAL300018723521	0	47	-2.0	-103.65	395.39	4.57	-99.08
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1	REAL300018723522	0	45	-2.0	-122.33	374.73	4.09	-118.24
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1	REAL300018723523	0	46	-2.0	-125.08	378.82	4.19	-120.89
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C	REAL300018723524	0	50	-2.0	-121.56	394.16	4.69	-116.87
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C1CC1	REAL300018723525	0	45	-2.0	-125.06	383.10	4.41	-120.65
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC2CCC1C2	REAL300018723526	0	52	-2.0	-131.48	412.34	5.49	-125.99
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1CCC(C(=O)[O-])CC1	REAL300018723527	0	51	-2.0	-121.59	400.82	4.79	-116.80
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC1(C)C	REAL300018723528	0	48	-2.0	-123.32	392.22	4.98	-118.34
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C1CCCC1	REAL300018723529	0	51	-2.0	-130.49	406.94	4.97	-125.52
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1=CC(C)=CC(C(=O)[O-])=C1	REAL300018723530	0	48	-2.0	-113.63	403.90	5.45	-108.18
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1=CN(CC(=O)[O-])N=N1	REAL300018723531	0	44	-2.0	-107.70	388.78	1.81	-105.89
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	REAL300018723532	0	54	-2.0	-127.53	420.97	5.00	-122.53
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCO1	REAL300018723533	0	46	-2.0	-130.10	386.63	3.09	-127.01
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1=CC(C(=O)[O-])=NN1C	REAL300018723534	0	45	-2.0	-108.61	384.73	2.92	-105.69
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])C[C@H]1C	REAL300018723535	0	45	-2.0	-124.50	379.24	4.31	-120.19
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300018723536	0	46	-2.0	-103.07	406.16	4.66	-98.41
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	REAL300018723537	0	45	-2.0	-120.75	373.45	3.74	-117.01
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300018723538	0	46	-2.0	-104.99	407.57	5.05	-99.94
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCC1	REAL300018723539	0	48	-2.0	-125.14	386.66	4.28	-120.86
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300018723540	0	51	-2.0	-114.79	413.72	5.39	-109.40
O=C([O-])C1=CC=CC(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)=C1	REAL300018723541	0	33	-2.0	-118.17	320.74	5.13	-113.04
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)C=C1	REAL300018723542	0	33	-2.0	-102.79	320.73	5.13	-97.66
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1	REAL300018723543	0	32	-2.0	-126.23	300.24	4.06	-122.17
CC(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1	REAL300018723544	0	35	-2.0	-124.35	319.52	4.00	-120.35
O=C([O-])CCCC(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1	REAL300018723545	0	32	-2.0	-112.53	305.29	3.64	-108.89
O=C([O-])COCC(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1	REAL300018723546	0	30	-2.0	-116.75	297.42	2.78	-113.97
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)N=C1	REAL300018723547	0	32	-2.0	-101.19	316.76	3.21	-97.98
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)C=N1	REAL300018723548	0	32	-2.0	-102.25	316.60	3.34	-98.91
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300018723549	0	36	-2.0	-113.77	326.20	4.57	-109.20
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1	REAL300018723550	0	38	-2.0	-126.37	334.35	4.32	-122.05
O=C([O-])CCCCC(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1	REAL300018723551	0	35	-2.0	-103.51	326.79	4.42	-99.09
O=C([O-])COC1=CC=C(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)C=C1	REAL300018723552	0	37	-2.0	-100.92	351.74	5.42	-95.50
O=C([O-])COC1=CC=CC(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)=C1	REAL300018723553	0	37	-2.0	-112.16	351.81	5.40	-106.76
O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)CCC1	REAL300018723554	0	33	-2.0	-120.62	307.28	4.03	-116.59
O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)CC=CC1	REAL300018723555	0	34	-2.0	-125.61	315.64	4.46	-121.15
CC(C)(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1	REAL300018723556	0	38	-2.0	-119.40	325.56	4.45	-114.95
O=C([O-])C(C(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1)C1CC1	REAL300018723557	0	33	-2.0	-125.06	313.55	4.23	-120.83
O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)CC2CCC1C2	REAL300018723558	0	40	-2.0	-130.49	343.68	5.33	-125.16
O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)CC1	REAL300018723559	0	39	-2.0	-122.10	337.75	5.03	-117.07
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1	REAL300018723560	0	36	-2.0	-120.92	322.72	4.74	-116.18
O=C([O-])C(C(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1)C1CCCC1	REAL300018723561	0	39	-2.0	-126.75	346.34	5.29	-121.46
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)=C1	REAL300018723562	0	36	-2.0	-112.06	342.13	5.78	-106.28
O=C([O-])CN1C=C(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)N=N1	REAL300018723563	0	32	-2.0	-107.04	320.18	1.69	-105.35
O=C([O-])COCC1=C(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)N=CO1	REAL300018723564	0	36	-2.0	-122.75	351.25	0.43	-122.32
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1	REAL300018723565	0	42	-2.0	-127.55	356.20	5.33	-122.22
O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)CCCO1	REAL300018723566	0	34	-2.0	-126.88	318.02	2.92	-123.96
CN1N=C(C(=O)[O-])C=C1C(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1	REAL300018723567	0	33	-2.0	-110.73	321.67	3.22	-107.51
O=C([O-])CCC1CC(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)CO1	REAL300018723568	0	40	-2.0	-101.48	359.93	3.73	-97.75
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1	REAL300018723569	0	33	-2.0	-121.26	310.66	4.17	-117.09
O=C([O-])C=CC1=CC(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)=CO1	REAL300018723570	0	34	-2.0	-104.23	337.54	4.54	-99.69
O=C([O-])[C@@H]1CC[C@H]1C(=O)[N-]S(=O)(=O)CC1=CC=CC(F)=C1	REAL300018723571	0	33	-2.0	-120.97	310.27	4.02	-116.95
O=C([O-])C1=CC=C(C=CC(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)O1	REAL300018723572	0	34	-2.0	-104.82	339.11	4.84	-99.98
O=C([O-])CN1C=CC=C(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)C1=O	REAL300018723573	0	36	-2.0	-124.55	345.16	4.86	-119.69
CC(C)(C(=O)[O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)C=C1	REAL300018723574	0	42	-2.0	-108.75	375.57	6.79	-101.96
O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)CCCC1	REAL300018723575	0	36	-2.0	-123.41	322.15	4.59	-118.82
O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300018723576	0	39	-2.0	-116.56	345.60	5.26	-111.30
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018723577	0	36	-2.0	-118.22	333.89	5.25	-112.97
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300018723578	0	36	-2.0	-103.37	333.86	5.25	-98.12
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)C)C=C1	REAL300018723579	0	38	-2.0	-124.73	327.50	4.16	-120.57
CCC1=CC=C(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])C=C1	REAL300018723580	0	33	-2.0	-117.48	310.56	3.04	-114.44
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300018723581	0	35	-2.0	-102.68	329.91	3.33	-99.35
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300018723582	0	35	-2.0	-102.94	329.73	3.47	-99.47
CCC1=CC=C(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300018723583	0	39	-2.0	-116.46	339.03	4.72	-111.74
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-])C=C1	REAL300018723584	0	41	-2.0	-129.10	347.48	4.44	-124.66
CCC1=CC=C(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])C=C1	REAL300018723585	0	38	-2.0	-104.84	339.92	4.55	-100.29
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018723586	0	40	-2.0	-101.48	364.88	5.55	-95.93
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300018723587	0	40	-2.0	-112.31	364.95	5.53	-106.78
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)C=C1	REAL300018723588	0	36	-2.0	-125.25	319.89	4.22	-121.03
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)C=C1	REAL300018723589	0	37	-2.0	-128.40	328.79	4.60	-123.80
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C)C=C1	REAL300018723590	0	41	-2.0	-125.37	342.82	4.53	-120.84
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CC2)C=C1	REAL300018723591	0	36	-2.0	-127.68	326.70	4.36	-123.32
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300018723592	0	43	-2.0	-135.04	356.82	5.45	-129.59
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)C=C1	REAL300018723593	0	42	-2.0	-125.46	350.90	5.20	-120.26
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2(C)C)C=C1	REAL300018723594	0	39	-2.0	-124.36	335.85	4.92	-119.44
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CCCC2)C=C1	REAL300018723595	0	42	-2.0	-128.02	355.01	5.45	-122.57
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300018723596	0	39	-2.0	-114.22	355.27	5.90	-108.32
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CN(CC(=O)[O-])N=N2)C=C1	REAL300018723597	0	35	-2.0	-109.04	333.32	1.79	-107.25
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2=C(COCC(=O)[O-])OC=N2)C=C1	REAL300018723598	0	39	-2.0	-125.70	364.39	0.58	-125.12
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C=C1	REAL300018723599	0	45	-2.0	-128.17	370.92	5.40	-122.77
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCO2)C=C1	REAL300018723600	0	37	-2.0	-130.86	331.16	3.05	-127.81
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC(C(=O)[O-])=NN2C)C=C1	REAL300018723601	0	36	-2.0	-109.77	334.81	3.33	-106.44
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2COC(CCC(=O)[O-])C2)C=C1	REAL300018723602	0	43	-2.0	-102.37	373.08	3.85	-98.52
CCC1=CC=C(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300018723603	0	36	-2.0	-125.58	323.79	4.28	-121.30
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2=COC(C=CC(=O)[O-])=C2)C=C1	REAL300018723604	0	37	-2.0	-104.26	350.68	4.63	-99.63
CCC1=CC=C(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300018723605	0	36	-2.0	-123.60	323.45	4.15	-119.45
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C=CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018723606	0	37	-2.0	-106.24	352.26	4.96	-101.28
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=CN(CC(=O)[O-])C2=O)C=C1	REAL300018723607	0	39	-2.0	-128.16	358.31	4.98	-123.18
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300018723608	0	45	-2.0	-108.92	386.96	6.88	-102.04
CCC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCC2)C=C1	REAL300018723609	0	39	-2.0	-127.88	335.29	4.73	-123.15
CCC1=CC=C(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300018723610	0	42	-2.0	-117.17	358.75	5.39	-111.78
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018723611	0	42	-2.0	-118.16	372.15	6.49	-111.67
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300018723612	0	42	-2.0	-103.33	372.14	6.50	-96.83
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])C=C1	REAL300018723613	0	41	-2.0	-127.60	351.77	5.58	-122.02
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)C)C=C1	REAL300018723614	0	44	-2.0	-124.74	365.82	5.40	-119.34
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])C=C1	REAL300018723615	0	41	-2.0	-113.62	356.75	5.01	-108.61
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])C=C1	REAL300018723616	0	39	-2.0	-117.51	348.83	4.28	-113.23
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300018723617	0	41	-2.0	-102.62	368.18	4.57	-98.05
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300018723618	0	41	-2.0	-102.85	368.00	4.71	-98.14
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300018723619	0	45	-2.0	-116.44	377.29	5.96	-110.48
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300018723620	0	47	-2.0	-126.44	384.57	5.89	-120.55
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])C=C1	REAL300018723621	0	44	-2.0	-104.75	378.25	5.79	-98.96
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018723622	0	46	-2.0	-101.43	403.15	6.79	-94.64
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300018723623	0	46	-2.0	-112.40	403.21	6.77	-105.63
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)C=C1	REAL300018723624	0	42	-2.0	-125.62	357.51	5.31	-120.31
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)C=C1	REAL300018723625	0	43	-2.0	-128.19	367.04	5.84	-122.35
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C)C=C1	REAL300018723626	0	47	-2.0	-124.69	379.39	5.85	-118.84
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CC2)C=C1	REAL300018723627	0	42	-2.0	-125.45	362.53	5.76	-119.69
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300018723628	0	49	-2.0	-135.13	395.09	6.70	-128.43
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)C=C1	REAL300018723629	0	48	-2.0	-125.47	389.22	6.43	-119.04
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2(C)C)C=C1	REAL300018723630	0	45	-2.0	-124.38	374.11	6.17	-118.21
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CCCC2)C=C1	REAL300018723631	0	48	-2.0	-130.84	397.28	6.70	-124.14
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)C2=CC=C(CC(C)C)C=C2)=C1	REAL300018723632	0	45	-2.0	-114.14	393.54	7.14	-107.00
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CN(CC(=O)[O-])N=N2)C=C1	REAL300018723633	0	41	-2.0	-109.04	371.58	3.03	-106.01
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2=C(COCC(=O)[O-])OC=N2)C=C1	REAL300018723634	0	45	-2.0	-125.57	402.69	1.82	-123.75
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C=C1	REAL300018723635	0	51	-2.0	-128.30	409.18	6.65	-121.65
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCO2)C=C1	REAL300018723636	0	43	-2.0	-130.91	369.42	4.30	-126.61
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC(C(=O)[O-])=NN2C)C=C1	REAL300018723637	0	42	-2.0	-109.81	373.13	4.58	-105.23
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2COC(CCC(=O)[O-])C2)C=C1	REAL300018723638	0	49	-2.0	-102.38	411.39	5.10	-97.28
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300018723639	0	42	-2.0	-125.34	362.07	5.53	-119.81
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2=COC(C=CC(=O)[O-])=C2)C=C1	REAL300018723640	0	43	-2.0	-104.16	388.95	5.88	-98.28
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300018723641	0	42	-2.0	-123.66	361.71	5.39	-118.27
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C=CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018723642	0	43	-2.0	-106.22	390.51	6.20	-100.02
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=CN(CC(=O)[O-])C2=O)C=C1	REAL300018723643	0	45	-2.0	-128.09	396.57	6.23	-121.86
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCC2)C=C1	REAL300018723644	0	45	-2.0	-128.64	374.94	5.93	-122.71
CC(C)CC1=CC=C(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300018723645	0	48	-2.0	-117.16	397.01	6.63	-110.53
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300018723646	0	34	-2.0	-132.73	328.16	3.36	-129.37
O=C([O-])CCCC(=O)[N-]S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300018723647	0	34	-2.0	-118.59	333.09	2.78	-115.81
O=C([O-])COCC(=O)[N-]S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300018723648	0	32	-2.0	-122.61	325.22	2.06	-120.55
O=C([O-])C1=CC=CC(C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)=C1	REAL300018723649	0	35	-2.0	-123.21	344.05	4.13	-119.08
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)C=C1	REAL300018723650	0	35	-2.0	-107.94	343.96	4.17	-103.77
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC(Cl)=CC2=C1OCC2	REAL300018723651	0	34	-2.0	-132.83	323.59	3.25	-129.58
CC(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC(Cl)=CC2=C1OCC2	REAL300018723652	0	37	-2.0	-130.09	337.59	3.07	-127.02
O=C([O-])CCCC(=O)[N-]S(=O)(=O)C1=CC(Cl)=CC2=C1OCC2	REAL300018723653	0	34	-2.0	-118.77	328.52	2.68	-116.09
O=C([O-])COCC(=O)[N-]S(=O)(=O)C1=CC(Cl)=CC2=C1OCC2	REAL300018723654	0	32	-2.0	-122.70	320.65	1.95	-120.75
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)N=C1	REAL300018723655	0	34	-2.0	-107.20	340.03	2.24	-104.96
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)C=N1	REAL300018723656	0	34	-2.0	-107.21	339.83	2.38	-104.83
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)C1	REAL300018723657	0	38	-2.0	-121.55	349.09	3.66	-117.89
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC(Cl)=CC2=C1OCC2	REAL300018723658	0	40	-2.0	-134.30	357.57	3.35	-130.95
O=C([O-])CCCCC(=O)[N-]S(=O)(=O)C1=CC(Cl)=CC2=C1OCC2	REAL300018723659	0	37	-2.0	-109.54	350.02	3.46	-106.08
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)CCC1	REAL300018723660	0	35	-2.0	-131.09	329.40	2.95	-128.14
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)CC=CC1	REAL300018723661	0	36	-2.0	-133.54	338.94	3.48	-130.06
CC(C)(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC(Cl)=CC2=C1OCC2	REAL300018723662	0	40	-2.0	-130.64	352.92	3.44	-127.20
O=C([O-])C(C(=O)[N-]S(=O)(=O)C1=CC(Cl)=CC2=C1OCC2)C1CC1	REAL300018723663	0	35	-2.0	-133.55	336.85	3.26	-130.29
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)CC2CCC1C2	REAL300018723664	0	42	-2.0	-140.46	366.93	4.37	-136.09
O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)CC1	REAL300018723665	0	41	-2.0	-108.88	368.86	4.30	-104.58
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC(Cl)=CC2=C1OCC2	REAL300018723666	0	38	-2.0	-131.59	351.46	3.72	-127.87
O=C([O-])C(C(=O)[N-]S(=O)(=O)C1=CC(Cl)=CC2=C1OCC2)C1CCCC1	REAL300018723667	0	41	-2.0	-136.63	368.93	4.31	-132.32
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)=C1	REAL300018723668	0	38	-2.0	-119.17	365.44	4.78	-114.39
O=C([O-])CN1C=C(C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)N=N1	REAL300018723669	0	34	-2.0	-113.66	343.44	0.70	-112.96
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)CCCO1	REAL300018723670	0	36	-2.0	-135.94	341.26	1.97	-133.97
CN1N=C(C(=O)[O-])C=C1C(=O)[N-]S(=O)(=O)C1=CC(Cl)=CC2=C1OCC2	REAL300018723671	0	35	-2.0	-114.41	344.91	2.25	-112.16
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC(Cl)=CC2=C1OCC2	REAL300018723672	0	35	-2.0	-129.15	330.79	3.31	-125.84
O=C([O-])C=CC1=CC(C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)=CO1	REAL300018723673	0	36	-2.0	-108.88	360.80	3.54	-105.34
O=C([O-])[C@@H]1CC[C@H]1C(=O)[N-]S(=O)(=O)C1=CC(Cl)=CC2=C1OCC2	REAL300018723674	0	35	-2.0	-128.16	333.44	3.07	-125.09
O=C([O-])C1=CC=C(C=CC(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)O1	REAL300018723675	0	36	-2.0	-110.55	362.34	3.87	-106.68
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)CCCC1	REAL300018723676	0	38	-2.0	-133.88	346.80	3.58	-130.30
O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C2=CC(Cl)=CC3=C2OCC3)C1	REAL300018723677	0	41	-2.0	-121.65	368.31	4.28	-117.37
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(I)C=C1	REAL300018723678	0	29	-2.0	-120.51	298.26	4.04	-116.47
O=C([O-])CCCC(=O)[N-]S(=O)(=O)C1=CC=C(I)C=C1	REAL300018723679	0	29	-2.0	-107.21	303.31	3.43	-103.78
O=C([O-])COCC(=O)[N-]S(=O)(=O)C1=CC=C(I)C=C1	REAL300018723680	0	27	-2.0	-111.06	295.44	2.70	-108.36
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300018723681	0	37	-2.0	-123.79	342.50	4.43	-119.36
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300018723682	0	37	-2.0	-108.57	342.48	4.43	-104.14
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-]	REAL300018723683	0	36	-2.0	-132.65	321.99	3.36	-129.29
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)C	REAL300018723684	0	39	-2.0	-129.98	336.12	3.29	-126.69
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)CCCC(=O)[O-]	REAL300018723685	0	36	-2.0	-118.53	327.04	2.93	-115.60
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)COCC(=O)[O-]	REAL300018723686	0	34	-2.0	-122.64	319.17	2.08	-120.56
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300018723687	0	36	-2.0	-107.64	338.53	2.51	-105.13
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300018723688	0	36	-2.0	-108.14	338.35	2.64	-105.50
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300018723689	0	40	-2.0	-120.69	348.70	3.89	-116.80
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1=CC=CC=C1OC	REAL300018723690	0	42	-2.0	-134.28	356.10	3.62	-130.66
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)CCCCC(=O)[O-]	REAL300018723691	0	39	-2.0	-109.44	348.54	3.72	-105.72
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300018723692	0	41	-2.0	-106.57	373.49	4.72	-101.85
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300018723693	0	41	-2.0	-117.64	373.56	4.70	-112.94
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1	REAL300018723694	0	37	-2.0	-130.53	328.51	3.40	-127.13
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1	REAL300018723695	0	38	-2.0	-132.77	337.39	3.76	-129.01
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C	REAL300018723696	0	42	-2.0	-130.59	351.44	3.61	-126.98
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C1CC1	REAL300018723697	0	37	-2.0	-132.28	335.32	3.51	-128.77
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC2CCC1C2	REAL300018723698	0	44	-2.0	-140.47	365.44	4.62	-135.85
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1CCC(C(=O)[O-])CC1	REAL300018723699	0	43	-2.0	-109.01	367.36	4.56	-104.45
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC1(C)C	REAL300018723700	0	40	-2.0	-129.12	344.47	4.04	-125.08
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C1CCCC1	REAL300018723701	0	43	-2.0	-132.72	363.63	4.58	-128.14
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1=CC(C)=CC(C(=O)[O-])=C1	REAL300018723702	0	40	-2.0	-119.71	363.89	5.08	-114.63
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1=CN(CC(=O)[O-])N=N1	REAL300018723703	0	36	-2.0	-114.06	341.94	0.98	-113.08
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1=C(COCC(=O)[O-])OC=N1	REAL300018723704	0	40	-2.0	-130.03	372.99	-0.27	-130.30
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	REAL300018723705	0	46	-2.0	-133.38	379.54	4.52	-128.86
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCO1	REAL300018723706	0	38	-2.0	-136.03	339.77	2.22	-133.81
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1=CC(C(=O)[O-])=NN1C	REAL300018723707	0	37	-2.0	-115.65	343.43	2.52	-113.13
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1COC(CCC(=O)[O-])C1	REAL300018723708	0	44	-2.0	-107.07	381.68	3.03	-104.04
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])C[C@H]1C	REAL300018723709	0	37	-2.0	-130.26	332.42	3.47	-126.79
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300018723710	0	38	-2.0	-109.41	359.30	3.83	-105.58
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	REAL300018723711	0	37	-2.0	-128.33	332.11	3.32	-125.01
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300018723712	0	38	-2.0	-111.11	360.86	4.14	-106.97
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300018723713	0	40	-2.0	-133.90	366.93	4.16	-129.74
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300018723714	0	46	-2.0	-114.96	397.32	6.09	-108.87
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCC1	REAL300018723715	0	40	-2.0	-133.13	345.26	3.86	-129.27
COC1=CC=CC=C1CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300018723716	0	43	-2.0	-121.50	366.83	4.54	-116.96
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC(F)=C(F)C(Br)=C1	REAL300018723717	0	29	-2.0	-111.91	303.91	3.62	-108.29
O=C([O-])CCCC(=O)[N-]S(=O)(=O)C1=CC(F)=C(F)C(Br)=C1	REAL300018723718	0	29	-2.0	-99.48	308.83	3.05	-96.43
O=C([O-])COCC(=O)[N-]S(=O)(=O)C1=CC(F)=C(F)C(Br)=C1	REAL300018723719	0	27	-2.0	-103.21	300.96	2.33	-100.88
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC(F)=C(F)C(Br)=C2)CCC1	REAL300018723720	0	30	-2.0	-108.35	309.63	3.36	-104.99
O=C([O-])C(C(=O)[N-]S(=O)(=O)C1=CC(F)=C(F)C(Br)=C1)C1CC1	REAL300018723721	0	30	-2.0	-109.59	313.36	3.65	-105.94
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC(F)=C(F)C(Br)=C1	REAL300018723722	0	30	-2.0	-108.26	314.21	3.57	-104.69
O=C([O-])[C@@H]1CC[C@H]1C(=O)[N-]S(=O)(=O)C1=CC(F)=C(F)C(Br)=C1	REAL300018723723	0	30	-2.0	-108.22	313.90	3.43	-104.79
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300018723724	0	30	-2.0	-110.68	291.18	1.46	-109.22
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300018723725	0	30	-2.0	-96.60	291.17	1.46	-95.14
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300018723726	0	29	-2.0	-95.06	287.26	-0.47	-95.53
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300018723727	0	29	-2.0	-96.29	287.05	-0.31	-96.60
CN1N=CC=C1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300018723728	0	33	-2.0	-106.98	297.44	0.92	-106.06
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=NN1C	REAL300018723729	0	35	-2.0	-118.41	304.79	0.66	-117.75
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300018723730	0	34	-2.0	-95.22	322.19	1.76	-93.46
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300018723731	0	34	-2.0	-103.84	322.30	1.74	-102.10
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C	REAL300018723732	0	35	-2.0	-111.46	296.01	0.88	-110.58
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC2CCC1C2	REAL300018723733	0	37	-2.0	-123.91	314.12	1.68	-122.23
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1CCC(C(=O)[O-])CC1	REAL300018723734	0	36	-2.0	-97.41	316.05	1.60	-95.81
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC1(C)C	REAL300018723735	0	33	-2.0	-113.83	293.15	1.13	-112.70
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C1CCCC1	REAL300018723736	0	36	-2.0	-117.35	310.56	1.69	-115.66
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)C2=CC=NN2C)=C1	REAL300018723737	0	33	-2.0	-105.80	312.57	2.11	-103.69
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1=CN(CC(=O)[O-])N=N1	REAL300018723738	0	29	-2.0	-101.47	290.67	-2.01	-103.48
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1=C(COCC(=O)[O-])OC=N1	REAL300018723739	0	33	-2.0	-116.10	321.74	-3.22	-119.32
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	REAL300018723740	0	39	-2.0	-117.89	328.16	1.62	-116.27
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCO1	REAL300018723741	0	31	-2.0	-120.34	288.45	-0.73	-121.07
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1=CC(C(=O)[O-])=NN1C	REAL300018723742	0	30	-2.0	-102.11	292.15	-0.46	-102.57
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1COC(CCC(=O)[O-])C1	REAL300018723743	0	37	-2.0	-96.38	330.38	0.07	-96.31
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300018723744	0	31	-2.0	-98.45	307.98	0.84	-97.61
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300018723745	0	31	-2.0	-99.09	309.60	1.16	-97.93
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300018723746	0	33	-2.0	-119.45	315.66	1.19	-118.26
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300018723747	0	39	-2.0	-100.55	344.30	3.09	-97.46
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCC1	REAL300018723748	0	33	-2.0	-117.30	293.92	0.91	-116.39
CN1N=CC=C1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300018723749	0	36	-2.0	-107.05	314.54	1.61	-105.44
CN1N=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300018723750	0	30	-2.0	-92.91	306.42	2.11	-90.80
COCCCCS(=O)(=O)[N-]C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300018723751	0	36	-2.0	-116.67	331.09	2.67	-114.00
COCCCCS(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300018723752	0	36	-2.0	-101.31	331.07	2.67	-98.64
COCCCCS(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300018723753	0	35	-2.0	-99.64	327.11	0.75	-98.89
COCCCCS(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300018723754	0	35	-2.0	-100.85	326.94	0.88	-99.97
COCCCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300018723755	0	39	-2.0	-113.92	336.24	2.14	-111.78
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CCCCOC	REAL300018723756	0	41	-2.0	-123.37	344.69	1.86	-121.51
COCCCCS(=O)(=O)[N-]C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300018723757	0	40	-2.0	-99.46	362.09	2.96	-96.50
COCCCCS(=O)(=O)[N-]C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300018723758	0	40	-2.0	-110.73	362.16	2.94	-107.79
COCCCCS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1	REAL300018723759	0	37	-2.0	-122.45	325.98	2.00	-120.45
COCCCCS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C	REAL300018723760	0	41	-2.0	-119.77	340.05	1.85	-117.92
COCCCCS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC2CCC1C2	REAL300018723761	0	43	-2.0	-129.20	354.07	2.86	-126.34
COCCCCS(=O)(=O)[N-]C(=O)C1CCC(C(=O)[O-])CC1	REAL300018723762	0	42	-2.0	-121.30	348.10	2.57	-118.73
COCCCCS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC1(C)C	REAL300018723763	0	39	-2.0	-118.13	333.06	2.28	-115.85
COCCCCS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C1CCCC1	REAL300018723764	0	42	-2.0	-121.93	350.53	2.89	-119.04
COCCCCS(=O)(=O)[N-]C(=O)C1=CC(C)=CC(C(=O)[O-])=C1	REAL300018723765	0	39	-2.0	-110.33	352.48	3.32	-107.01
COCCCCS(=O)(=O)[N-]C(=O)C1=CN(CC(=O)[O-])N=N1	REAL300018723766	0	35	-2.0	-105.75	330.53	-0.78	-106.53
COCCCCS(=O)(=O)[N-]C(=O)C1=C(COCC(=O)[O-])OC=N1	REAL300018723767	0	39	-2.0	-121.84	361.59	-2.03	-123.87
COCCCCS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	REAL300018723768	0	45	-2.0	-124.64	366.56	2.87	-121.77
COCCCCS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCO1	REAL300018723769	0	37	-2.0	-125.66	328.37	0.46	-125.20
COCCCCS(=O)(=O)[N-]C(=O)C1=CC(C(=O)[O-])=NN1C	REAL300018723770	0	36	-2.0	-109.39	332.01	0.76	-108.63
COCCCCS(=O)(=O)[N-]C(=O)C1COC(CCC(=O)[O-])C1	REAL300018723771	0	43	-2.0	-99.51	370.40	1.33	-98.18
COCCCCS(=O)(=O)[N-]C(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300018723772	0	37	-2.0	-102.77	347.89	2.08	-100.69
COCCCCS(=O)(=O)[N-]C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300018723773	0	37	-2.0	-103.29	349.46	2.37	-100.92
COCCCCS(=O)(=O)[N-]C(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300018723774	0	39	-2.0	-122.73	355.51	2.40	-120.33
COCCCCS(=O)(=O)[N-]C(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300018723775	0	45	-2.0	-107.50	385.92	4.33	-103.17
COCCCCS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCC1	REAL300018723776	0	39	-2.0	-122.22	332.17	2.24	-119.98
COCCCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300018723777	0	42	-2.0	-114.97	355.96	2.80	-112.17
COCCCCS(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300018723778	0	36	-2.0	-98.19	347.29	3.23	-94.96
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300018723779	0	35	-2.0	-117.41	340.03	4.01	-113.40
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300018723780	0	35	-2.0	-102.64	340.02	4.02	-98.62
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-]	REAL300018723781	0	34	-2.0	-126.18	319.53	3.15	-123.03
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)C	REAL300018723782	0	37	-2.0	-124.05	333.05	2.72	-121.33
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)CCCC(=O)[O-]	REAL300018723783	0	34	-2.0	-112.68	324.58	2.53	-110.15
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)COCC(=O)[O-]	REAL300018723784	0	32	-2.0	-116.69	316.71	1.81	-114.88
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300018723785	0	34	-2.0	-101.52	336.06	2.09	-99.43
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300018723786	0	34	-2.0	-102.06	335.89	2.23	-99.83
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300018723787	0	38	-2.0	-116.64	345.55	3.53	-113.11
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300018723788	0	40	-2.0	-126.21	353.64	3.21	-123.00
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-]	REAL300018723789	0	37	-2.0	-103.93	346.08	3.31	-100.62
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300018723790	0	39	-2.0	-100.60	371.03	4.31	-96.29
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300018723791	0	39	-2.0	-111.46	371.10	4.30	-107.16
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1	REAL300018723792	0	35	-2.0	-122.38	325.38	2.83	-119.55
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1	REAL300018723793	0	36	-2.0	-124.93	334.93	3.36	-121.57
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C	REAL300018723794	0	40	-2.0	-118.87	344.84	3.43	-115.44
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C1CC1	REAL300018723795	0	35	-2.0	-124.06	329.09	3.13	-120.93
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC2CCC1C2	REAL300018723796	0	42	-2.0	-132.06	363.00	4.23	-127.83
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1CCC(C(=O)[O-])CC1	REAL300018723797	0	41	-2.0	-103.27	364.90	4.16	-99.11
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC1(C)C	REAL300018723798	0	38	-2.0	-121.25	342.00	3.69	-117.56
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C1CCCC1	REAL300018723799	0	41	-2.0	-128.74	365.00	4.17	-124.57
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1=CC(C)=CC(C(=O)[O-])=C1	REAL300018723800	0	38	-2.0	-112.06	361.42	4.67	-107.39
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1=CN(CC(=O)[O-])N=N1	REAL300018723801	0	34	-2.0	-107.68	339.49	0.55	-107.13
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1=C(COCC(=O)[O-])OC=N1	REAL300018723802	0	38	-2.0	-123.70	370.52	-0.65	-124.35
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	REAL300018723803	0	44	-2.0	-127.63	375.52	4.28	-123.35
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCO1	REAL300018723804	0	36	-2.0	-128.49	337.31	1.82	-126.67
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1=CC(C(=O)[O-])=NN1C	REAL300018723805	0	35	-2.0	-109.56	340.96	2.10	-107.46
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1COC(CCC(=O)[O-])C1	REAL300018723806	0	42	-2.0	-101.66	379.22	2.62	-99.04
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])C[C@H]1C	REAL300018723807	0	35	-2.0	-121.40	329.45	3.06	-118.34
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300018723808	0	36	-2.0	-103.66	356.83	3.40	-100.26
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	REAL300018723809	0	35	-2.0	-121.82	329.48	2.93	-118.89
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300018723810	0	36	-2.0	-105.10	358.40	3.74	-101.36
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300018723811	0	38	-2.0	-124.82	364.47	3.75	-121.07
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCC1	REAL300018723812	0	38	-2.0	-125.12	342.78	3.45	-121.67
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300018723813	0	41	-2.0	-116.28	364.89	4.16	-112.12
O=C([O-])C1=CC=CC(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)=C1	REAL300018723814	0	38	-2.0	-114.72	351.86	6.59	-108.13
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)C=C1	REAL300018723815	0	38	-2.0	-100.62	351.84	6.60	-94.02
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1	REAL300018723816	0	37	-2.0	-123.76	331.49	5.68	-118.08
CC(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1	REAL300018723817	0	40	-2.0	-123.11	350.64	5.50	-117.61
O=C([O-])CCCC(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1	REAL300018723818	0	37	-2.0	-110.38	336.41	5.11	-105.27
O=C([O-])COCC(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1	REAL300018723819	0	35	-2.0	-114.25	328.54	4.38	-109.87
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)N=C1	REAL300018723820	0	37	-2.0	-99.81	347.88	4.67	-95.14
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)C=N1	REAL300018723821	0	37	-2.0	-100.40	347.72	4.81	-95.59
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)C1	REAL300018723822	0	41	-2.0	-113.08	357.00	6.07	-107.01
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1	REAL300018723823	0	43	-2.0	-122.93	361.29	5.79	-117.14
O=C([O-])CCCCC(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1	REAL300018723824	0	40	-2.0	-101.81	357.91	5.89	-95.92
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)CCC1	REAL300018723825	0	38	-2.0	-121.06	337.88	5.56	-115.50
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)CC=CC1	REAL300018723826	0	39	-2.0	-124.12	346.74	5.94	-118.18
CC(C)(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1	REAL300018723827	0	43	-2.0	-120.38	359.09	5.95	-114.43
O=C([O-])C(C(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1)C1CC1	REAL300018723828	0	38	-2.0	-123.78	344.67	5.72	-118.06
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)CC2CCC1C2	REAL300018723829	0	45	-2.0	-130.69	374.85	6.81	-123.88
O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)CC1	REAL300018723830	0	44	-2.0	-122.70	370.19	6.57	-116.13
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1	REAL300018723831	0	41	-2.0	-120.31	353.83	6.27	-114.04
O=C([O-])C(C(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1)C1CCCC1	REAL300018723832	0	44	-2.0	-123.65	372.98	6.79	-116.86
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)=C1	REAL300018723833	0	41	-2.0	-111.11	373.25	7.24	-103.87
O=C([O-])CN1C=C(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)N=N1	REAL300018723834	0	37	-2.0	-106.09	351.30	3.13	-102.96
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1	REAL300018723835	0	47	-2.0	-124.19	388.90	6.75	-117.44
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)CCCO1	REAL300018723836	0	39	-2.0	-126.78	349.13	4.39	-122.39
CN1N=C(C(=O)[O-])C=C1C(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1	REAL300018723837	0	38	-2.0	-107.15	352.80	4.68	-102.47
O=C([O-])CCC1CC(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)CO1	REAL300018723838	0	45	-2.0	-99.61	391.05	5.20	-94.41
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1	REAL300018723839	0	38	-2.0	-121.37	341.78	5.63	-115.74
O=C([O-])C=CC1=CC(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)=CO1	REAL300018723840	0	39	-2.0	-101.55	368.66	5.97	-95.58
O=C([O-])[C@@H]1CC[C@H]1C(=O)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1	REAL300018723841	0	38	-2.0	-119.44	341.35	5.49	-113.95
O=C(C=CC1=CC=C(C(=O)[O-])O1)[N-]S(=O)(=O)C1=CC=C(N2C=CC=C2)C=C1	REAL300018723842	0	39	-2.0	-103.48	370.22	6.30	-97.18
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)CCCC1	REAL300018723843	0	41	-2.0	-123.58	353.27	6.07	-117.51
O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)C1	REAL300018723844	0	44	-2.0	-113.83	376.72	6.73	-107.10
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300018723845	0	38	-2.0	-114.22	336.77	4.13	-110.09
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300018723846	0	38	-2.0	-100.19	336.76	4.08	-96.11
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-]	REAL300018723847	0	37	-2.0	-122.35	322.36	3.21	-119.14
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)C	REAL300018723848	0	40	-2.0	-121.20	341.65	3.15	-118.05
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)CCCC(=O)[O-]	REAL300018723849	0	37	-2.0	-109.61	325.20	2.71	-106.90
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)COCC(=O)[O-]	REAL300018723850	0	35	-2.0	-112.96	319.55	1.93	-111.03
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300018723851	0	37	-2.0	-99.18	336.67	2.28	-96.90
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300018723852	0	37	-2.0	-99.97	332.64	2.30	-97.67
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300018723853	0	41	-2.0	-111.69	342.95	3.54	-108.15
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C(C)C(C)C(=O)OC	REAL300018723854	0	43	-2.0	-119.76	352.29	3.47	-116.29
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-]	REAL300018723855	0	40	-2.0	-100.39	348.92	3.56	-96.83
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300018723856	0	42	-2.0	-98.19	367.78	4.37	-93.82
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300018723857	0	42	-2.0	-108.86	371.71	4.47	-104.39
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1	REAL300018723858	0	38	-2.0	-119.70	323.32	3.05	-116.65
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1	REAL300018723859	0	39	-2.0	-122.21	337.47	3.56	-118.65
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C	REAL300018723860	0	43	-2.0	-118.78	351.84	3.46	-115.32
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C1CC1	REAL300018723861	0	38	-2.0	-122.47	333.44	3.28	-119.19
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC2CCC1C2	REAL300018723862	0	45	-2.0	-129.50	363.62	4.39	-125.11
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1CCC(C(=O)[O-])CC1	REAL300018723863	0	44	-2.0	-120.91	361.15	4.20	-116.71
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC1(C)C	REAL300018723864	0	41	-2.0	-118.23	344.79	3.88	-114.35
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C1CCCC1	REAL300018723865	0	44	-2.0	-125.69	362.36	4.30	-121.39
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1=CC(C)=CC(C(=O)[O-])=C1	REAL300018723866	0	41	-2.0	-109.80	363.97	4.88	-104.92
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1=CN(CC(=O)[O-])N=N1	REAL300018723867	0	37	-2.0	-105.20	336.22	0.69	-104.51
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1=C(COCC(=O)[O-])OC=N1	REAL300018723868	0	41	-2.0	-120.46	367.30	-0.55	-121.01
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C	REAL300018723869	0	47	-2.0	-125.07	376.10	4.39	-120.68
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCO1	REAL300018723870	0	39	-2.0	-125.56	334.05	1.94	-123.62
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1=CC(C(=O)[O-])=NN1C	REAL300018723871	0	38	-2.0	-107.14	337.72	2.24	-104.90
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1COC(CCC(=O)[O-])C1	REAL300018723872	0	45	-2.0	-98.37	379.94	2.86	-95.51
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])C[C@H]1C	REAL300018723873	0	38	-2.0	-120.64	326.70	3.11	-117.53
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1=COC(C=CC(=O)[O-])=C1	REAL300018723874	0	39	-2.0	-100.94	353.57	3.55	-97.39
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	REAL300018723875	0	38	-2.0	-118.11	332.40	3.17	-114.94
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300018723876	0	39	-2.0	-102.85	355.14	3.78	-99.07
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1=CC=CN(CC(=O)[O-])C1=O	REAL300018723877	0	41	-2.0	-122.23	367.00	3.96	-118.27
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300018723878	0	47	-2.0	-105.89	391.60	5.75	-100.14
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCCC1	REAL300018723879	0	41	-2.0	-122.80	343.38	3.63	-119.17
COC(=O)C(C)C(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300018723880	0	44	-2.0	-112.27	361.10	4.18	-108.09
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=CC(C(=O)[O-])=C2)CCC1	REAL300018723881	0	34	-2.0	-126.35	319.00	4.19	-122.16
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2)CCC1	REAL300018723882	0	34	-2.0	-109.03	318.99	4.19	-104.84
CC(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	REAL300018723883	0	36	-2.0	-129.34	317.78	3.06	-126.28
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=N2)CCC1	REAL300018723884	0	33	-2.0	-106.51	315.03	2.27	-104.24
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])N=C2)CCC1	REAL300018723885	0	33	-2.0	-108.05	314.86	2.40	-105.65
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCC1	REAL300018723886	0	37	-2.0	-123.75	324.15	3.65	-120.10
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	REAL300018723887	0	39	-2.0	-128.65	332.62	3.38	-125.27
N#CC1(CS(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])CCC1	REAL300018723888	0	36	-2.0	-109.89	325.06	3.48	-106.41
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCC1	REAL300018723889	0	38	-2.0	-107.14	350.00	4.48	-102.66
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CCC1	REAL300018723890	0	38	-2.0	-120.15	350.07	4.46	-115.69
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)CCC1	REAL300018723891	0	34	-2.0	-127.57	304.35	3.00	-124.57
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)CCC1	REAL300018723892	0	35	-2.0	-130.45	313.90	3.52	-126.93
CC(C)(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	REAL300018723893	0	39	-2.0	-127.25	327.95	3.37	-123.88
N#CC1(CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CC2)CCC1	REAL300018723894	0	34	-2.0	-126.33	308.05	3.29	-123.04
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)CCC1	REAL300018723895	0	41	-2.0	-134.40	341.95	4.38	-130.02
N#CC1(CS(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)CCC1	REAL300018723896	0	40	-2.0	-109.15	343.87	4.32	-104.83
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	REAL300018723897	0	37	-2.0	-125.69	326.48	3.68	-122.01
N#CC1(CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CCCC2)CCC1	REAL300018723898	0	40	-2.0	-133.54	343.97	4.31	-129.23
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)=C1	REAL300018723899	0	37	-2.0	-115.60	340.38	4.84	-110.76
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CN(CC(=O)[O-])N=N2)CCC1	REAL300018723900	0	33	-2.0	-111.97	318.44	0.74	-111.23
N#CC1(CS(=O)(=O)[N-]C(=O)C2=C(COCC(=O)[O-])OC=N2)CCC1	REAL300018723901	0	37	-2.0	-129.80	349.51	-0.51	-130.31
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	REAL300018723902	0	43	-2.0	-132.11	354.47	4.39	-127.72
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCO2)CCC1	REAL300018723903	0	35	-2.0	-131.45	316.28	2.00	-129.45
CN1N=C(C(=O)[O-])C=C1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	REAL300018723904	0	34	-2.0	-118.38	319.93	2.28	-116.10
N#CC1(CS(=O)(=O)[N-]C(=O)C2COC(CCC(=O)[O-])C2)CCC1	REAL300018723905	0	41	-2.0	-108.14	358.19	2.79	-105.35
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1	REAL300018723906	0	34	-2.0	-124.73	308.95	3.23	-121.50
N#CC1(CS(=O)(=O)[N-]C(=O)C2=COC(C=CC(=O)[O-])=C2)CCC1	REAL300018723907	0	35	-2.0	-111.21	335.80	3.60	-107.61
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCC1	REAL300018723908	0	34	-2.0	-127.52	308.48	3.08	-124.44
N#CC1(CS(=O)(=O)[N-]C(=O)C=CC2=CC=C(C(=O)[O-])O2)CCC1	REAL300018723909	0	35	-2.0	-109.74	337.37	3.90	-105.84
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=CN(CC(=O)[O-])C2=O)CCC1	REAL300018723910	0	37	-2.0	-127.25	343.43	3.92	-123.33
CC(C)(C(=O)[O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)C=C1	REAL300018723911	0	43	-2.0	-114.97	372.09	5.82	-109.15
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCC2)CCC1	REAL300018723912	0	37	-2.0	-127.34	320.08	3.76	-123.58
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CCC1	REAL300018723913	0	40	-2.0	-123.09	343.54	4.31	-118.78
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018723914	0	39	-2.0	-119.37	357.22	6.50	-112.87
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300018723915	0	39	-2.0	-104.02	357.20	6.51	-97.51
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])C=C1	REAL300018723916	0	38	-2.0	-128.07	336.84	5.40	-122.67
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)C)C=C1	REAL300018723917	0	41	-2.0	-125.97	356.00	5.37	-120.60
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)CCCC(=O)[O-])C=C1	REAL300018723918	0	38	-2.0	-113.92	341.77	5.01	-108.91
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)COCC(=O)[O-])C=C1	REAL300018723919	0	36	-2.0	-118.02	333.90	4.16	-113.86
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300018723920	0	38	-2.0	-102.69	353.24	4.58	-98.11
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300018723921	0	38	-2.0	-103.51	353.08	4.72	-98.79
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300018723922	0	42	-2.0	-114.83	362.66	5.94	-108.89
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-])C=C1	REAL300018723923	0	44	-2.0	-127.87	370.82	5.69	-122.18
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])C=C1	REAL300018723924	0	41	-2.0	-104.77	363.27	5.79	-98.98
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018723925	0	43	-2.0	-102.10	388.22	6.79	-95.31
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300018723926	0	43	-2.0	-113.34	388.29	6.78	-106.56
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)C=C1	REAL300018723927	0	39	-2.0	-124.36	342.58	5.32	-119.04
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)C=C1	REAL300018723928	0	40	-2.0	-126.94	352.12	5.83	-121.11
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C)C=C1	REAL300018723929	0	44	-2.0	-124.19	366.18	5.69	-118.50
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CC2)C=C1	REAL300018723930	0	39	-2.0	-127.13	350.99	5.63	-121.50
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300018723931	0	46	-2.0	-133.92	380.21	6.70	-127.22
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)C=C1	REAL300018723932	0	45	-2.0	-104.38	382.08	6.63	-97.75
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2(C)C)C=C1	REAL300018723933	0	42	-2.0	-122.98	359.19	6.11	-116.87
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CCCC2)C=C1	REAL300018723934	0	45	-2.0	-126.71	378.35	6.66	-120.05
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2=CC(C)=CC(C(=O)[O-])=C2)C=C1	REAL300018723935	0	42	-2.0	-114.02	378.61	7.16	-106.86
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2=CN(CC(=O)[O-])N=N2)C=C1	REAL300018723936	0	38	-2.0	-108.78	356.66	3.06	-105.72
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2=C(COCC(=O)[O-])OC=N2)C=C1	REAL300018723937	0	42	-2.0	-125.02	387.71	1.80	-123.22
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C=C1	REAL300018723938	0	48	-2.0	-126.97	394.26	6.59	-120.38
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCO2)C=C1	REAL300018723939	0	40	-2.0	-131.13	353.96	4.34	-126.79
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2=CC(C(=O)[O-])=NN2C)C=C1	REAL300018723940	0	39	-2.0	-111.60	358.14	4.60	-107.00
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2COC(CCC(=O)[O-])C2)C=C1	REAL300018723941	0	46	-2.0	-102.74	396.41	5.10	-97.64
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C=C1	REAL300018723942	0	39	-2.0	-122.80	346.63	5.52	-117.28
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2=COC(C=CC(=O)[O-])=C2)C=C1	REAL300018723943	0	40	-2.0	-105.22	374.02	5.91	-99.31
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300018723944	0	39	-2.0	-123.27	346.75	5.40	-117.87
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C=CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018723945	0	40	-2.0	-106.22	375.59	6.22	-100.00
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2=CC=CN(CC(=O)[O-])C2=O)C=C1	REAL300018723946	0	42	-2.0	-127.40	381.64	6.24	-121.16
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300018723947	0	48	-2.0	-110.25	412.05	8.17	-102.08
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCC2)C=C1	REAL300018723948	0	42	-2.0	-127.27	359.96	5.94	-121.33
CCC1=CC=C(CS(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300018723949	0	45	-2.0	-116.94	381.55	6.61	-110.33
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300018723950	0	40	-2.0	-115.47	371.24	4.72	-110.75
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300018723951	0	40	-2.0	-101.52	371.22	4.72	-96.80
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])=CC=C21	REAL300018723952	0	39	-2.0	-123.82	350.73	3.85	-119.97
CC(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300018723953	0	42	-2.0	-119.08	364.87	3.63	-115.45
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])=CC=C21	REAL300018723954	0	39	-2.0	-110.97	355.78	3.24	-107.73
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])=CC=C21	REAL300018723955	0	37	-2.0	-114.89	347.92	2.51	-112.38
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C3=CC=C(C(=O)[O-])C=N3)=CC=C21	REAL300018723956	0	39	-2.0	-100.42	367.27	2.80	-97.62
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C3=CC=C(C(=O)[O-])N=C3)=CC=C21	REAL300018723957	0	39	-2.0	-101.31	367.09	2.93	-98.38
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300018723958	0	43	-2.0	-113.18	377.44	4.21	-108.97
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300018723959	0	45	-2.0	-125.46	384.85	3.91	-121.55
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])=CC=C21	REAL300018723960	0	42	-2.0	-102.65	377.28	4.02	-98.63
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C3(C(=O)[O-])CCC3)=CC=C21	REAL300018723961	0	40	-2.0	-120.16	356.58	3.54	-116.62
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C3(C(=O)[O-])CC=CC3)=CC=C21	REAL300018723962	0	41	-2.0	-124.82	366.12	4.07	-120.75
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C)=CC=C21	REAL300018723963	0	45	-2.0	-121.83	380.18	4.00	-117.83
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C3CC3)=CC=C21	REAL300018723964	0	40	-2.0	-120.99	360.31	3.83	-117.16
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C3CCC(C(=O)[O-])CC3)=CC=C21	REAL300018723965	0	46	-2.0	-102.10	396.10	4.86	-97.24
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C3(C(=O)[O-])CC3(C)C)=CC=C21	REAL300018723966	0	43	-2.0	-119.08	373.20	4.39	-114.69
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C3CCCC3)=CC=C21	REAL300018723967	0	46	-2.0	-124.46	390.56	4.95	-119.51
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C3=CN(CC(=O)[O-])N=N3)=CC=C21	REAL300018723968	0	39	-2.0	-106.40	370.68	1.26	-105.14
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C3(C(=O)[O-])CCCO3)=CC=C21	REAL300018723969	0	41	-2.0	-125.65	368.51	2.52	-123.13
CN1N=C(C(=O)[O-])C=C1C(=O)[N-]S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300018723970	0	40	-2.0	-108.32	372.17	2.81	-105.51
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300018723971	0	40	-2.0	-120.19	360.27	3.77	-116.42
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)[C@@H]3CC[C@H]3C(=O)[O-])=CC=C21	REAL300018723972	0	40	-2.0	-119.21	360.78	3.62	-115.59
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)C3(C(=O)[O-])CCCC3)=CC=C21	REAL300018723973	0	43	-2.0	-125.06	373.98	4.15	-120.91
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300018723974	0	46	-2.0	-113.58	394.69	4.85	-108.73
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300018723975	0	43	-2.0	-125.72	381.74	6.22	-119.50
CC(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300018723976	0	46	-2.0	-123.18	395.87	5.99	-117.19
O=C([O-])CCCC(=O)[N-]S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300018723977	0	43	-2.0	-112.18	386.80	5.60	-106.58
O=C([O-])COCC(=O)[N-]S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300018723978	0	41	-2.0	-116.04	378.93	4.88	-111.16
O=C([O-])CCCCC(=O)[N-]S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300018723979	0	46	-2.0	-103.73	408.30	6.38	-97.35
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CCC1	REAL300018723980	0	44	-2.0	-123.77	388.25	6.05	-117.72
O=C([O-])C(C(=O)[N-]S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1CC1	REAL300018723981	0	44	-2.0	-123.42	392.62	6.35	-117.07
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300018723982	0	44	-2.0	-123.65	392.15	6.12	-117.53
O=C([O-])[C@@H]1CC[C@H]1C(=O)[N-]S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300018723983	0	44	-2.0	-121.32	391.72	6.00	-115.32
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)C2=CC=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300018723984	0	42	-2.0	-129.19	374.43	3.64	-125.55
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2)C(OC)=C1	REAL300018723985	0	42	-2.0	-114.05	374.41	3.65	-110.40
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])C(OC)=C1	REAL300018723986	0	41	-2.0	-139.19	354.06	2.73	-136.46
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)C)C(OC)=C1	REAL300018723987	0	44	-2.0	-139.77	373.22	2.56	-137.21
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])C(OC)=C1	REAL300018723988	0	41	-2.0	-124.68	358.98	2.16	-122.52
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])C(OC)=C1	REAL300018723989	0	39	-2.0	-128.65	351.11	1.44	-127.21
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=N2)C(OC)=C1	REAL300018723990	0	41	-2.0	-113.75	370.45	1.72	-112.03
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])N=C2)C(OC)=C1	REAL300018723991	0	41	-2.0	-113.42	370.29	1.87	-111.55
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(OC)=C1	REAL300018723992	0	45	-2.0	-127.40	379.56	3.13	-124.27
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=C(OC)C=C(OC)C=C1OC	REAL300018723993	0	47	-2.0	-139.76	383.85	2.85	-136.91
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])C(OC)=C1	REAL300018723994	0	44	-2.0	-115.51	380.48	2.94	-112.57
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)C(OC)=C1	REAL300018723995	0	42	-2.0	-137.76	359.76	2.48	-135.28
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)C(OC)=C1	REAL300018723996	0	43	-2.0	-140.37	369.32	2.99	-137.38
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C)C(OC)=C1	REAL300018723997	0	47	-2.0	-137.05	381.67	3.01	-134.04
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CC2)C(OC)=C1	REAL300018723998	0	42	-2.0	-137.51	364.81	2.91	-134.60
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2(C)C)C(OC)=C1	REAL300018723999	0	45	-2.0	-137.01	376.40	3.32	-133.69
COC1=CC(OC)=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCO2)C(OC)=C1	REAL300018724000	0	43	-2.0	-143.63	371.69	1.46	-142.17
N#CCCN(CC(=O)[O-])CC1=NC=C(Br)C=C1[O-]	REAL300019186863	0	28	-2.0	-101.91	270.64	3.16	-98.75
O=C([O-])[C@@H]1CC(=O)N(CC2=NC3=C(COCC3)C(=O)[N-]2)C(=O)N1	REAL300019382964	1	35	-2.0	-104.38	300.66	0.44	-103.94
O=C([O-])[C@H]1CC(=O)N(CC2=NC3=C(COCC3)C(=O)[N-]2)C(=O)N1	REAL300019382965	1	35	-2.0	-89.50	303.94	0.47	-89.03
O=C([O-])C[C@H]1CC(=O)N(CC2=NC3=C(COCC3)C(=O)[N-]2)C(=O)N1	REAL300019382966	1	38	-2.0	-98.47	323.11	1.27	-97.20