C=C(C)CC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017045024	1	31	-2.0	-123.52	323.69	6.32	-117.20
C=C(C)CC([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017045031	0	31	-2.0	-121.37	320.67	4.68	-116.69
C=C(C)CC([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017045033	1	31	-2.0	-121.15	320.93	4.69	-116.46
C=C(C)CC([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017045034	1	31	-2.0	-119.89	306.63	4.14	-115.75
C=C(C)CC([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017045047	0	31	-2.0	-127.02	303.09	4.30	-122.72
C=C(C)CC([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300017045062	1	31	-2.0	-142.56	301.86	4.08	-138.48
C=C(C)CC([N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300017045069	0	38	-2.0	-137.11	365.78	3.74	-133.37
C=C(C)CC([N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017045075	1	34	-2.0	-121.27	338.07	4.02	-117.25
C=C(C)CC([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017045107	1	32	-2.0	-123.11	329.31	5.51	-117.60
C=C(C)CC([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017045113	1	37	-2.0	-134.44	363.56	5.14	-129.30
C=C(C)CC([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300017045136	1	37	-2.0	-128.43	340.52	3.92	-124.51
C=C(C)CC([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017045154	1	37	-2.0	-136.14	348.15	5.29	-130.85
C=C(C)CC([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017045226	1	34	-2.0	-122.00	320.32	3.47	-118.53
C=C(C)CC([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017045228	0	33	-2.0	-142.71	313.47	5.69	-137.02
C=C(C)CC([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017045231	1	31	-2.0	-139.14	302.97	5.47	-133.67
C=C(C)CC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017045239	0	33	-2.0	-129.19	330.14	7.23	-121.96
C=C(C)CC([N-]S(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300017045252	1	37	-2.0	-122.13	341.92	4.41	-117.72
C=C(C)CC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017045257	1	34	-2.0	-132.25	324.66	5.99	-126.26
C=C(C)CC([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017045258	1	33	-2.0	-129.63	323.97	6.23	-123.40
C=C(C)CC([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017045261	1	28	-2.0	-126.15	300.74	3.53	-122.62
C=C(C)CC([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017045266	1	30	-2.0	-120.65	307.76	3.90	-116.75
C=C(C)CC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300017045270	1	36	-2.0	-138.37	332.00	5.24	-133.13
C=C(C)CC([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017045271	1	33	-2.0	-141.92	321.29	5.38	-136.54
C=C(C)CC([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017045274	1	33	-2.0	-135.75	323.21	6.75	-129.00
C=C(C)CC(NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017045276	1	39	-2.0	-95.45	359.95	0.96	-94.49
C=C(C)CC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017045294	1	33	-2.0	-144.44	314.25	6.57	-137.87
C=C(C)CC([N-]S(=O)(=O)C1=CN(CCCCCC)C(=O)NC1=O)C(=O)[O-]	REAL300017045316	1	49	-2.0	-137.73	419.57	5.17	-132.56
C=C(C)CC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017045322	1	28	-2.0	-122.51	285.16	3.41	-119.10
C=C(C)CC([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017045324	1	28	-2.0	-120.08	315.29	4.22	-115.86
C=C(C)CC([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017045339	0	32	-2.0	-126.02	317.73	4.63	-121.39
C=C(C)CC([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017045358	1	30	-2.0	-118.70	303.65	3.77	-114.93
C=C(C)CC([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017045384	1	31	-2.0	-123.07	318.52	5.65	-117.42
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1	REAL300017048001	0	38	-2.0	-100.50	335.85	6.57	-93.93
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300017048002	0	38	-2.0	-104.55	337.78	6.93	-97.62
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1	REAL300017048003	0	38	-2.0	-114.86	327.51	6.39	-108.47
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(CCC(=O)[O-])C2	REAL300017048004	0	41	-2.0	-122.72	348.87	7.73	-114.99
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300017048005	0	38	-2.0	-127.13	350.15	7.03	-120.10
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017048006	0	38	-2.0	-123.86	347.80	6.94	-116.92
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)=C1F	REAL300017048007	0	41	-2.0	-126.78	354.46	7.21	-119.57
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(CCC(=O)[O-])C2	REAL300017048066	0	42	-2.0	-131.91	352.92	6.79	-125.12
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017048067	0	39	-2.0	-106.37	331.79	4.40	-101.97
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)C=C1	REAL300017048068	0	42	-2.0	-109.88	359.58	7.79	-102.09
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)C=C1	REAL300017048069	0	44	-2.0	-106.03	371.71	8.09	-97.94
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017048070	0	38	-2.0	-120.70	329.59	6.77	-113.93
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017048071	0	41	-2.0	-109.84	350.31	7.28	-102.56
COC1=CC=C(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017048072	0	42	-2.0	-147.94	350.67	6.73	-141.21
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017048073	0	42	-2.0	-113.02	354.09	6.64	-106.38
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017048074	0	42	-2.0	-109.15	360.31	6.70	-102.45
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017048075	0	38	-2.0	-103.63	334.68	6.62	-97.01
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017048076	0	38	-2.0	-113.25	335.48	6.75	-106.50
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)=C1	REAL300017048077	0	41	-2.0	-105.57	354.16	7.21	-98.36
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)C=C1	REAL300017048078	0	46	-2.0	-109.49	386.75	7.77	-101.72
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017048079	0	38	-2.0	-116.31	340.46	6.63	-109.68
CC1=CC(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)=CC(C(=O)[O-])=C1C	REAL300017048080	0	44	-2.0	-138.27	366.36	7.71	-130.56
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017048081	0	40	-2.0	-99.57	357.64	7.17	-92.40
CC1=CC(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)=CC(C(=O)[O-])=C1F	REAL300017048082	0	41	-2.0	-103.61	354.27	7.15	-96.46
CC1=CC(F)=C(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017048083	0	41	-2.0	-124.27	350.46	7.46	-116.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)=C1Cl	REAL300017048084	0	41	-2.0	-128.24	355.99	7.48	-120.76
CC1=CC(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)=CC(C(=O)[O-])=C1Cl	REAL300017048085	0	41	-2.0	-101.64	360.67	7.46	-94.18
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CC2CC1(CCC(=O)[O-])C2	REAL300017048086	0	41	-2.0	-102.72	348.93	7.67	-95.05
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017048087	0	40	-2.0	-117.68	345.31	8.30	-109.38
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017048088	0	35	-2.0	-114.21	322.61	5.68	-108.53
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017048089	0	41	-2.0	-103.47	350.46	7.26	-96.21
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017048090	0	40	-2.0	-130.71	354.02	7.74	-122.97
CC1=CC(C)=C(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)C(C)=C1CC(=O)[O-]	REAL300017048091	0	50	-2.0	-116.41	374.56	8.67	-107.74
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017048092	0	40	-2.0	-112.83	342.30	8.53	-104.30
CC1=C(Cl)C=C(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017048093	0	41	-2.0	-127.80	363.36	7.59	-120.21
CC1=C(F)C=C(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017048094	0	41	-2.0	-123.28	355.37	7.26	-116.02
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017048095	0	44	-2.0	-141.22	371.02	8.70	-132.52
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017048208	0	38	-2.0	-125.85	336.74	6.54	-119.31
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC2CC1(CCC(=O)[O-])C2	REAL300017048210	0	42	-2.0	-110.14	356.89	6.43	-103.71
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017048211	0	38	-2.0	-105.16	332.73	6.54	-98.62
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017048224	0	40	-3.0	-195.92	356.46	7.05	-188.87
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)=C1	REAL300017048225	0	42	-2.0	-111.60	350.68	6.28	-105.32
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017048226	0	38	-3.0	-195.61	329.71	5.55	-190.06
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017048226	1	39	-2.0	-128.18	331.86	5.03	-123.15
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017048227	0	37	-2.0	-105.72	327.12	4.69	-101.03
CC1=C(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)C(C(=O)[O-])=NN1	REAL300017048228	0	38	-2.0	-117.13	320.02	4.57	-112.56
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(CCC(=O)[O-])C2	REAL300017048229	0	41	-2.0	-130.77	339.24	7.31	-123.46
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017048230	0	35	-2.0	-114.34	328.05	5.45	-108.89
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017048269	0	36	-2.0	-99.71	338.75	5.68	-94.03
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017048331	0	38	-2.0	-107.63	332.28	6.77	-100.86
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017048332	0	38	-2.0	-126.23	340.26	6.59	-119.64
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)=C1	REAL300017048358	1	41	-2.0	-113.41	359.13	3.66	-109.75
CCOC(=O)C1=CC(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)=N[N-]1	REAL300017048358	1	41	-2.0	-113.16	359.23	3.67	-109.49
O=C([O-])CCC12CC(C1)CN2S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017048445	0	45	-2.0	-113.15	368.49	8.25	-104.90
CCC1=C(S(=O)(=O)N2CC3CC2(CCC(=O)[O-])C3)C=C(C(=O)[O-])O1	REAL300017048459	0	41	-2.0	-139.28	335.66	5.86	-133.42
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017048465	0	40	-2.0	-101.82	343.34	4.87	-96.95
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C)C(=O)[O-]	REAL300017048466	0	45	-2.0	-120.01	367.65	6.68	-113.33
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C(=O)[O-]	REAL300017048467	0	46	-2.0	-119.45	370.71	7.38	-112.07
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C(=O)[O-]	REAL300017048468	0	43	-2.0	-120.19	357.92	6.63	-113.56
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(=O)[O-]	REAL300017048470	0	36	-2.0	-103.09	323.73	5.22	-97.87
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017048471	0	36	-2.0	-98.18	326.35	5.05	-93.13
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017048472	0	36	-2.0	-101.59	314.56	4.64	-96.95
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017048473	0	39	-2.0	-102.90	333.92	5.30	-97.60
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(=O)[O-]	REAL300017048474	0	36	-2.0	-98.60	313.80	4.66	-93.94
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300017048475	0	42	-2.0	-119.66	346.63	6.14	-113.52
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(=O)[O-]	REAL300017048476	0	36	-2.0	-104.40	329.87	4.62	-99.78
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C(=O)[O-]	REAL300017048477	0	39	-2.0	-117.97	329.72	5.60	-112.37
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(=O)[O-]	REAL300017048478	0	33	-2.0	-98.20	307.68	3.70	-94.50
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	REAL300017048479	0	42	-2.0	-119.57	348.30	6.42	-113.15
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017048480	0	37	-2.0	-100.84	321.24	4.02	-96.82
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017048481	0	36	-2.0	-103.27	324.16	4.35	-98.92
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-])C(=O)[O-]	REAL300017048482	0	39	-2.0	-135.72	327.32	5.04	-130.68
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C(=O)[O-]	REAL300017048483	0	36	-2.0	-102.31	328.47	5.25	-97.06
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017048484	0	39	-2.0	-99.03	324.72	5.43	-93.60
CCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C=C1C(=O)[O-]	REAL300017048485	0	42	-2.0	-118.57	348.13	5.84	-112.73
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017048486	0	39	-2.0	-97.50	329.84	5.20	-92.30
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)C(=O)[O-]	REAL300017048487	0	36	-2.0	-95.33	332.11	5.44	-89.89
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017048488	0	39	-2.0	-98.22	344.66	5.45	-92.77
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300017048495	1	39	-2.0	-138.06	325.63	3.36	-134.70
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300017048524	1	36	-2.0	-128.12	317.69	3.38	-124.74
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017048526	1	35	-2.0	-128.17	322.57	6.60	-121.57
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300017048554	1	33	-2.0	-125.55	299.52	4.64	-120.91
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017048559	0	33	-2.0	-145.24	289.97	4.72	-140.52
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300017048582	1	33	-2.0	-133.84	290.95	4.66	-129.18
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017048597	1	36	-2.0	-128.06	315.24	5.00	-123.06
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300017048598	1	36	-2.0	-138.46	333.98	6.46	-132.00
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300017048605	1	30	-2.0	-134.44	289.44	3.95	-130.49
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F)C(=O)[O-]	REAL300017048631	1	36	-2.0	-142.63	308.97	5.48	-137.15
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017048637	1	33	-2.0	-133.48	301.26	5.11	-128.37
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300017048642	1	36	-2.0	-98.47	328.56	0.48	-97.99
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017048644	0	36	-2.0	-114.01	323.93	4.65	-109.36
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017048663	1	30	-2.0	-125.92	304.30	4.62	-121.30
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)CC	REAL300017048671	1	39	-2.0	-149.60	334.35	2.82	-146.78
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017048696	1	35	-2.0	-139.36	316.70	6.58	-132.78
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300017048703	0	33	-2.0	-120.49	308.71	4.91	-115.58
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300017048712	1	37	-2.0	-138.80	319.09	4.92	-133.88
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017048733	0	33	-2.0	-137.47	303.81	5.30	-132.17
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017048743	1	33	-2.0	-121.30	309.07	5.87	-115.43
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017048747	0	33	-2.0	-129.87	300.14	4.93	-124.94
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017048780	1	33	-2.0	-122.72	319.40	6.30	-116.42
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017048787	0	33	-2.0	-126.35	313.95	5.17	-121.18
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017048789	1	33	-2.0	-125.65	313.97	5.17	-120.48
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017048790	1	33	-2.0	-123.18	297.27	4.72	-118.46
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017048803	0	33	-2.0	-130.84	293.96	4.87	-125.97
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300017048818	1	33	-2.0	-142.26	296.52	4.13	-138.13
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300017048825	0	40	-2.0	-141.48	359.55	4.23	-137.25
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017048831	1	36	-2.0	-122.72	338.37	3.95	-118.77
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)CC)O1	REAL300017049007	1	39	-2.0	-124.08	340.47	4.25	-119.83
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017049012	1	36	-2.0	-133.82	317.50	6.61	-127.21
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017049013	1	35	-2.0	-132.03	321.45	6.77	-125.26
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017049016	1	30	-2.0	-131.16	291.36	4.12	-127.04
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017049021	1	32	-2.0	-124.22	311.07	3.77	-120.45
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300017049025	1	38	-2.0	-134.82	331.76	5.37	-129.45
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017049026	1	35	-2.0	-139.11	314.83	5.85	-133.26
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017049029	1	35	-2.0	-139.22	321.27	6.68	-132.54
CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017049031	1	41	-2.0	-97.42	363.06	0.99	-96.43
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017049049	1	35	-2.0	-142.28	309.13	6.70	-135.58
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)CC)C(=O)NC1=O	REAL300017049071	1	51	-2.0	-130.85	417.67	5.21	-125.64
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017049077	1	30	-2.0	-125.74	285.84	3.20	-122.54
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017049079	1	30	-2.0	-125.94	308.93	4.72	-121.22
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017049094	0	34	-2.0	-131.65	310.77	5.13	-126.52
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017049112	1	32	-2.0	-120.34	304.48	3.72	-116.62
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017049138	1	33	-2.0	-123.56	316.65	5.59	-117.97
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017058029	1	28	-2.0	-107.50	280.40	-0.19	-107.69
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017058030	1	28	-2.0	-114.11	295.52	1.40	-112.71
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(O)C(=O)[O-])C(F)=C1	REAL300017058031	1	39	-2.0	-101.03	357.97	-2.04	-103.07
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC(O)C(=O)[O-])S1	REAL300017058064	1	28	-2.0	-92.29	288.15	-3.91	-96.20
CC1=C(S(=O)(=O)NCC(O)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017058065	0	28	-2.0	-104.22	283.57	0.23	-103.99
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017058082	1	22	-2.0	-103.25	267.07	-0.50	-103.75
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(O)C(=O)[O-]	REAL300017058089	1	31	-2.0	-126.49	298.35	-2.17	-128.66
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017058110	1	27	-2.0	-117.67	279.50	1.46	-116.21
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017058116	0	25	-2.0	-99.07	271.47	-0.18	-99.25
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC(O)C(=O)[O-]	REAL300017058124	1	29	-2.0	-113.91	281.87	-0.18	-114.09
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017058138	0	25	-2.0	-112.59	266.59	0.18	-112.41
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017058147	1	25	-2.0	-103.93	274.24	0.70	-103.23
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017058150	0	25	-2.0	-108.24	265.30	-0.25	-108.49
O=C([O-])C(O)C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017058176	1	25	-2.0	-105.00	284.57	1.13	-103.87
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017058180	0	25	-2.0	-103.73	276.72	0.07	-103.66
O=C([O-])C(O)C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017058182	1	25	-2.0	-103.67	276.72	0.07	-103.60
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CC(O)C(=O)[O-])C(F)=C1Cl	REAL300017058210	0	32	-2.0	-117.29	322.33	-0.88	-118.17
COC(=O)C1=CC(S(=O)(=O)[N-]CC(O)C(=O)[O-])=C(Br)O1	REAL300017058216	1	28	-2.0	-101.73	303.56	-1.28	-103.01
COC(=O)C1=CC=C(S(=O)(=O)[N-]C23CC4CC(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300017085002	1	45	-2.0	-104.25	364.51	4.94	-99.31
O=C([O-])C12CC3CC(CC([N-]S(=O)(=O)C4=C(F)C=CC=C4[N+](=O)[O-])(C3)C1)C2	REAL300017085005	0	44	-2.0	-126.58	348.86	8.03	-118.55
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C23CC4CC(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300017085012	1	48	-2.0	-104.52	386.38	5.87	-98.65
CCN1C=C(S(=O)(=O)[N-]C23CC4CC(C2)CC(C(=O)[O-])(C4)C3)C([N+](=O)[O-])=N1	REAL300017085020	1	47	-2.0	-115.44	375.29	6.97	-108.47
O=C([O-])C12CC3CC(CC([N-]S(=O)(=O)C4=CC=CC(F)=C4[N+](=O)[O-])(C3)C1)C2	REAL300017085021	1	44	-2.0	-117.90	357.79	7.50	-110.40
CC(C(F)(F)F)S(=O)(=O)[N-]C12CC3CC(C1)CC(C(=O)[O-])(C3)C2	REAL300017085039	0	41	-2.0	-97.33	323.62	5.12	-92.21
N#CC1=CC(F)=C(S(=O)(=O)[N-]C23CC4CC(C2)CC(C(=O)[O-])(C4)C3)C(F)=C1	REAL300017085044	0	43	-2.0	-122.15	354.25	6.83	-115.32
O=C([O-])C12CC3CC(CC([N-]S(=O)(=O)C4=CC=CC(F)=C4F)(C3)C1)C2	REAL300017085075	1	42	-2.0	-112.72	336.17	6.24	-106.48
O=C([O-])C1=CC(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)=CS1	REAL300017085088	0	42	-2.0	-105.85	340.36	5.55	-100.30
CC1=C(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)C=C(C(=O)[O-])O1	REAL300017085089	0	45	-2.0	-98.12	354.59	5.66	-92.46
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC12CC3CC(C1)CC(C(=O)[O-])(C3)C2	REAL300017085090	0	48	-2.0	-98.91	366.47	7.30	-91.61
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300017085091	0	45	-2.0	-96.18	355.09	6.53	-89.65
O=C([O-])C1=CC=C(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)C=C1F	REAL300017085092	0	45	-2.0	-100.27	354.30	6.50	-93.77
O=C([O-])C12CC3CC(CC([N-]S(=O)(=O)C4=CC5=CC=CC=C5O4)(C3)C1)C2	REAL300017085105	1	45	-2.0	-112.95	354.72	6.54	-106.41
O=C([O-])C1=CC(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)=CC=C1O	REAL300017085126	0	46	-2.0	-110.81	358.44	4.49	-106.32
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300017085127	0	45	-2.0	-94.54	356.59	6.62	-87.92
O=C([O-])CC1=CC=C(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)C=C1	REAL300017085128	0	48	-2.0	-97.86	372.39	7.24	-90.62
O=C([O-])C1=CC=C(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)C(F)=C1	REAL300017085129	0	45	-2.0	-97.52	356.62	6.57	-90.95
O=C([O-])C1=CC=C(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)S1	REAL300017085130	0	42	-2.0	-94.56	341.96	5.70	-88.86
O=C([O-])CC1=CC=CC(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300017085131	0	48	-2.0	-98.86	370.84	7.24	-91.62
COC(=O)C1=COC(S(=O)(=O)[N-]C23CC4CC(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300017085136	1	45	-2.0	-122.79	364.85	4.89	-117.90
O=C([O-])C12CC3CC(CC([N-]S(=O)(=O)C4=C(F)C=CC=C4Cl)(C3)C1)C2	REAL300017085165	1	42	-2.0	-113.53	340.47	6.93	-106.60
N#CC1=CC=C(S(=O)(=O)[N-]C23CC4CC(C2)CC(C(=O)[O-])(C4)C3)O1	REAL300017085180	1	40	-2.0	-101.26	328.90	4.68	-96.58
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C23CC4CC(C2)CC(C(=O)[O-])(C4)C3)=N1	REAL300017085194	0	44	-2.0	-120.11	352.03	5.10	-115.01
O=C([O-])C1=CC=CC(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)=C1F	REAL300017085211	0	45	-2.0	-112.29	354.74	6.58	-105.71
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300017085222	0	45	-3.0	-168.82	357.27	5.10	-163.72
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300017085222	1	46	-2.0	-98.96	361.03	4.12	-94.84
O=C([O-])C1=CC=NC(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300017085223	0	44	-2.0	-95.36	346.21	5.01	-90.35
CC1=C(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)C(C(=O)[O-])=NN1	REAL300017085224	0	45	-2.0	-120.67	343.59	4.09	-116.58
O=C([O-])C12CC3CC(CC([N-]S(=O)(=O)C4=C(F)C=CC5=C4OCO5)(C3)C1)C2	REAL300017085241	1	45	-2.0	-117.34	353.82	5.33	-112.01
O=C([O-])C12CC3CC(CC([N-]S(=O)(=O)C4=CC=C(Cl)O4)(C3)C1)C2	REAL300017085282	1	39	-2.0	-103.43	324.72	4.76	-98.67
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)=C1	REAL300017085296	1	48	-2.0	-112.08	379.04	3.82	-108.26
CCOC(=O)C1=CC(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)=N[N-]1	REAL300017085296	1	48	-2.0	-111.97	379.16	3.83	-108.14
N#CC1=C(S(=O)(=O)[N-]C23CC4CC(C2)CC(C(=O)[O-])(C4)C3)OC=C1	REAL300017085341	1	40	-2.0	-107.29	329.12	4.60	-102.69
CCC1=C(S(=O)(=O)NC23CC4CC(C2)CC(C(=O)[O-])(C4)C3)C=C(C(=O)[O-])O1	REAL300017085390	0	48	-2.0	-98.63	375.80	6.41	-92.22
O=C([O-])C12CC3CC(CC([N-]S(=O)(=O)C4=CN=CS4)(C3)C1)C2	REAL300017085393	1	38	-2.0	-104.94	310.98	3.24	-101.70
CCN1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017085395	0	38	-2.0	-107.59	340.02	4.96	-102.63
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085396	0	43	-2.0	-101.45	360.85	6.70	-94.75
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C1	REAL300017085397	0	44	-2.0	-111.34	367.62	7.42	-103.92
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C1	REAL300017085398	0	41	-2.0	-111.66	356.27	6.65	-105.01
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C1	REAL300017085400	0	34	-2.0	-102.72	325.09	5.33	-97.39
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017085401	0	34	-2.0	-111.32	324.23	5.14	-106.18
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300017085402	0	34	-2.0	-104.44	311.73	4.75	-99.69
CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017085403	0	37	-2.0	-104.05	327.72	5.28	-98.77
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300017085404	0	34	-2.0	-104.16	311.69	4.76	-99.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1C	REAL300017085405	0	40	-2.0	-102.90	344.76	6.11	-96.79
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300017085406	0	34	-2.0	-98.18	326.29	4.70	-93.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085407	0	37	-2.0	-102.02	326.29	5.64	-96.38
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300017085408	0	31	-2.0	-108.01	304.91	3.78	-104.23
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085409	0	40	-2.0	-101.44	343.08	6.52	-94.92
CN1C=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017085410	0	35	-2.0	-112.24	318.66	4.11	-108.13
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300017085411	0	34	-2.0	-100.05	321.48	4.41	-95.64
CC1=C(C(=O)[O-])C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=C(C)O1	REAL300017085412	0	37	-2.0	-105.88	323.86	5.06	-100.82
O=C([O-])CC1CC(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C1	REAL300017085413	0	34	-2.0	-103.22	329.63	5.35	-97.87
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1CC(CC(=O)[O-])C1	REAL300017085414	0	37	-2.0	-113.52	321.69	5.40	-108.12
CCC1=CC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017085415	0	40	-2.0	-104.14	346.03	5.94	-98.20
CC1=CC(S(=O)(=O)NC2CC(CC(=O)[O-])C2)=CC=C1C(=O)[O-]	REAL300017085416	0	37	-2.0	-103.97	327.73	5.30	-98.67
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300017085417	0	34	-2.0	-100.89	328.14	5.49	-95.40
O=C([O-])CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C1	REAL300017085418	0	37	-2.0	-101.72	341.84	5.56	-96.16
CN1C=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)C(=O)N(C)C1=O	REAL300017085425	1	37	-2.0	-110.43	325.67	2.96	-107.47
CN1C=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300017085453	1	34	-2.0	-113.69	317.73	2.78	-110.91
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300017085455	1	33	-2.0	-104.81	320.21	6.07	-98.74
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C1	REAL300017085482	1	31	-2.0	-110.03	297.18	4.12	-105.91
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C1	REAL300017085487	0	31	-2.0	-115.58	289.47	4.15	-111.43
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C1	REAL300017085510	1	31	-2.0	-112.03	291.00	4.06	-107.97
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300017085525	1	34	-2.0	-104.46	317.12	4.33	-100.13
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300017085526	1	34	-2.0	-115.05	330.39	5.99	-109.06
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(Cl)C=CS2)C1	REAL300017085533	1	28	-2.0	-110.72	287.07	3.40	-107.32
CC1=CC(F)=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)C(F)=C1	REAL300017085560	1	34	-2.0	-114.70	310.86	4.82	-109.88
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300017085565	1	31	-2.0	-112.37	301.33	4.51	-107.86
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)S1	REAL300017085570	1	34	-2.0	-93.13	325.64	0.53	-92.60
CC1=C(S(=O)(=O)NC2CC(CC(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017085572	0	34	-2.0	-101.64	321.30	4.66	-96.98
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C1	REAL300017085591	1	28	-2.0	-103.01	301.99	4.09	-98.92
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CC(CC(=O)[O-])C1	REAL300017085599	1	37	-2.0	-122.72	335.09	2.38	-120.34
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C1	REAL300017085624	1	33	-2.0	-113.94	314.36	6.02	-107.92
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C1	REAL300017085631	0	31	-2.0	-100.38	306.35	4.41	-95.97
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1CC(CC(=O)[O-])C1	REAL300017085640	1	35	-2.0	-110.29	318.59	4.34	-105.95
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300017085662	0	31	-2.0	-110.37	301.46	4.80	-105.57
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300017085672	1	31	-2.0	-99.74	310.95	5.25	-94.49
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300017085676	0	31	-2.0	-104.70	302.02	4.27	-100.43
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300017085709	1	31	-2.0	-100.60	321.27	5.68	-94.92
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300017085716	0	31	-2.0	-104.94	311.58	4.66	-100.28
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300017085718	1	31	-2.0	-104.84	311.59	4.66	-100.18
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300017085719	1	31	-2.0	-103.73	297.28	4.11	-99.62
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300017085732	0	31	-2.0	-105.35	295.85	4.21	-101.14
CN1C=NC(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)=C1Cl	REAL300017085747	1	31	-2.0	-115.54	299.44	3.38	-112.16
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)C(F)=C1Cl	REAL300017085754	0	38	-2.0	-113.00	359.04	3.65	-109.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)=C(Br)O1	REAL300017085760	1	34	-2.0	-100.85	338.43	3.33	-97.52
CCCCCCN1C=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)C(=O)NC1=O	REAL300017086001	1	49	-2.0	-119.47	415.31	4.68	-114.79
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300017086007	1	28	-2.0	-107.95	283.47	2.66	-105.29
O=C([O-])CC1CC([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300017086009	1	28	-2.0	-103.17	306.62	4.19	-98.98
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)C(F)=C1	REAL300017086024	0	32	-2.0	-104.82	310.23	4.54	-100.28
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300017086043	1	30	-2.0	-100.31	304.52	3.13	-97.18
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300017086069	1	31	-2.0	-105.57	314.25	5.05	-100.52
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017101001	1	31	-2.0	-123.96	317.45	2.63	-121.33
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017101002	1	31	-2.0	-122.72	303.15	2.08	-120.64
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017101015	0	31	-2.0	-133.37	294.66	2.85	-130.52
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300017101031	1	31	-2.0	-142.95	298.28	2.01	-140.94
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])O1	REAL300017144039	0	38	-2.0	-146.96	347.81	5.92	-141.04
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1	REAL300017144040	0	35	-2.0	-154.28	323.58	4.22	-150.06
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300017144041	0	38	-2.0	-111.47	357.60	7.28	-104.19
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300017144042	0	40	-2.0	-109.43	369.72	7.58	-101.85
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017144043	0	34	-2.0	-110.96	326.38	5.89	-105.07
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300017144044	0	37	-2.0	-112.24	348.32	6.77	-105.47
COC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)C=C1C(=O)[O-]	REAL300017144045	0	38	-2.0	-114.47	349.98	6.08	-108.39
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017144046	0	38	-2.0	-108.97	357.22	6.27	-102.70
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017144047	0	38	-2.0	-128.35	358.08	6.30	-122.05
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017144048	0	34	-2.0	-94.77	326.49	6.05	-88.72
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017144049	0	34	-2.0	-127.63	335.18	6.40	-121.23
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=C1	REAL300017144050	0	37	-2.0	-105.07	346.12	6.68	-98.39
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300017144051	0	42	-2.0	-109.22	389.29	7.44	-101.78
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017144052	0	34	-2.0	-104.81	332.65	5.95	-98.86
CC1=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=CC(C(=O)[O-])=C1C	REAL300017144053	0	40	-2.0	-156.87	352.35	7.32	-149.55
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017144054	0	36	-2.0	-102.76	354.34	6.66	-96.10
CC1=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=CC(C(=O)[O-])=C1F	REAL300017144055	0	37	-2.0	-111.21	339.79	6.42	-104.79
CC1=CC(F)=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)C=C1C(=O)[O-]	REAL300017144056	0	37	-2.0	-110.93	342.43	6.43	-104.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=C1Cl	REAL300017144057	0	37	-2.0	-119.10	350.94	6.88	-112.22
CC1=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=CC(C(=O)[O-])=C1Cl	REAL300017144058	0	37	-2.0	-107.60	346.23	6.73	-100.87
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])O1	REAL300017144059	0	37	-2.0	-104.09	344.44	6.86	-97.23
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017144060	0	36	-2.0	-98.37	345.81	7.94	-90.43
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017144061	0	31	-2.0	-97.54	316.03	5.19	-92.35
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017144062	0	37	-2.0	-131.22	337.29	6.54	-124.68
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017144063	0	36	-2.0	-116.18	349.28	7.09	-109.09
CC1=CC(C)=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)C(C)=C1CC(=O)[O-]	REAL300017144064	0	46	-2.0	-127.46	376.27	8.30	-119.16
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017144065	0	36	-2.0	-108.49	338.26	7.72	-100.77
CC1=C(Cl)C=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)C=C1C(=O)[O-]	REAL300017144066	0	37	-2.0	-113.33	355.43	7.00	-106.33
CC1=C(F)C=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)C=C1C(=O)[O-]	REAL300017144067	0	37	-2.0	-112.29	346.72	6.60	-105.69
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017144068	0	40	-2.0	-127.45	366.59	8.15	-119.30
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017144181	0	34	-2.0	-93.14	337.32	6.14	-87.00
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])O1	REAL300017144183	0	38	-2.0	-108.77	348.54	5.89	-102.88
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017144184	0	34	-2.0	-105.46	324.85	6.03	-99.43
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017144197	0	36	-3.0	-180.53	354.56	6.55	-173.98
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=C1	REAL300017144198	0	38	-2.0	-104.58	347.49	5.31	-99.27
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017144199	0	34	-3.0	-182.92	326.52	4.68	-178.24
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017144199	1	35	-2.0	-118.46	328.08	3.93	-114.53
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017144200	0	33	-2.0	-114.40	321.77	4.15	-110.25
CC1=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)C(C(=O)[O-])=NN1	REAL300017144201	0	34	-2.0	-134.51	314.91	3.78	-130.73
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])O1	REAL300017144202	0	37	-2.0	-104.20	335.43	6.48	-97.72
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017144203	0	31	-2.0	-135.73	319.45	4.82	-130.91
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017144242	0	32	-2.0	-105.23	330.89	5.14	-100.09
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017144304	0	34	-2.0	-117.18	328.33	5.93	-111.25
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017144305	0	34	-2.0	-113.48	336.38	6.12	-107.36
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=C1	REAL300017144331	1	37	-2.0	-122.71	353.65	3.17	-119.54
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=N[N-]1	REAL300017144331	1	37	-2.0	-122.60	353.78	3.17	-119.43
CN(CC1=CC=C(C(=O)[O-])O1)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017144418	0	41	-2.0	-118.71	371.00	7.92	-110.79
CCC1=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])O2)C=C(C(=O)[O-])O1	REAL300017144432	0	37	-2.0	-148.99	338.92	5.58	-143.41
CCN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017144438	0	38	-2.0	-118.04	325.56	6.23	-111.81
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144439	0	43	-2.0	-108.68	354.33	8.14	-100.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017144440	0	44	-2.0	-108.61	355.83	8.75	-99.86
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017144441	0	41	-2.0	-133.43	331.81	7.08	-126.35
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017144443	0	34	-2.0	-119.56	301.58	5.61	-113.95
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017144444	0	34	-2.0	-117.23	308.41	6.31	-110.92
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017144445	0	34	-2.0	-120.82	295.97	5.93	-114.89
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017144446	0	37	-2.0	-122.20	315.78	6.55	-115.65
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017144447	0	34	-2.0	-103.00	299.33	6.01	-96.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300017144448	0	40	-2.0	-131.83	319.55	6.36	-125.47
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017144449	0	34	-2.0	-109.84	312.46	5.97	-103.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144450	0	37	-2.0	-106.49	315.77	6.87	-99.62
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017144451	0	31	-2.0	-121.33	284.49	4.34	-116.99
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144452	0	40	-2.0	-106.58	332.39	7.73	-98.85
CN1C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017144453	0	35	-2.0	-105.98	304.25	5.34	-100.64
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300017144454	0	34	-2.0	-106.91	306.68	5.71	-101.20
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C(C)O1	REAL300017144455	0	37	-2.0	-117.52	304.91	6.11	-111.41
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017144456	0	34	-2.0	-118.00	306.01	5.64	-112.36
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300017144457	0	37	-2.0	-118.31	309.99	6.74	-111.57
CCC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017144458	0	40	-2.0	-121.88	330.30	7.11	-114.77
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1C(=O)[O-]	REAL300017144459	0	37	-2.0	-103.39	315.96	6.58	-96.81
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017144460	0	34	-2.0	-103.24	303.60	5.67	-97.57
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017144461	0	37	-2.0	-101.66	325.98	6.73	-94.93
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300017144613	1	34	-2.0	-111.02	304.57	1.00	-110.02
CC1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017144615	0	34	-2.0	-105.06	310.21	6.00	-99.06
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017145004	1	39	-2.0	-110.31	340.34	1.58	-108.73
O=C([O-])CC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CCCCC1	REAL300017157016	1	43	-2.0	-135.46	350.95	6.49	-128.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC(=O)[O-])C1CCCCC1	REAL300017157051	0	47	-2.0	-111.69	379.86	6.20	-105.49
O=C([O-])CC(NS(=O)(=O)C1=CC=C(O)C(C(=O)[O-])=C1)C1CCCCC1	REAL300017157052	0	44	-2.0	-119.37	355.42	4.80	-114.57
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)C=C1	REAL300017157053	0	47	-2.0	-95.97	385.83	8.08	-87.89
O=C([O-])CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)C=C1	REAL300017157054	0	49	-2.0	-94.63	397.97	8.37	-86.26
O=C([O-])CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C1CCCCC1	REAL300017157055	0	43	-2.0	-107.14	346.01	6.67	-100.47
O=C([O-])CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)C=C1	REAL300017157056	0	46	-2.0	-96.56	376.57	7.56	-89.00
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)C=C1C(=O)[O-]	REAL300017157057	0	47	-2.0	-115.51	373.88	6.83	-108.68
O=C([O-])COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)C=C1	REAL300017157058	0	47	-2.0	-94.18	385.43	7.06	-87.12
O=C([O-])CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C1CCCCC1	REAL300017157059	0	43	-2.0	-106.66	356.56	6.89	-99.77
O=C([O-])CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1)C1CCCCC1	REAL300017157060	0	43	-2.0	-105.24	359.06	7.12	-98.12
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)=C1	REAL300017157061	0	46	-2.0	-117.02	363.78	7.27	-109.75
O=C([O-])CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CCCCC1	REAL300017157062	0	43	-2.0	-101.43	350.53	6.71	-94.72
O=C([O-])CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CCCCC1	REAL300017157062	1	42	-3.0	-191.69	363.59	6.73	-184.96
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)=CC(C(=O)[O-])=C1C	REAL300017157063	0	49	-2.0	-127.01	392.10	7.71	-119.30
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)=CC(C(=O)[O-])=C1F	REAL300017157064	0	46	-2.0	-98.53	380.05	7.20	-91.33
CC1=CC(F)=C(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)C=C1C(=O)[O-]	REAL300017157065	0	46	-2.0	-107.32	359.86	7.23	-100.09
O=C([O-])CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1CCCCC1	REAL300017157066	0	40	-2.0	-107.26	337.87	5.90	-101.36
O=C([O-])CC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)=C1	REAL300017157067	0	46	-2.0	-99.39	377.39	7.32	-92.07
CC1=C(F)C=C(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)C=C1C(=O)[O-]	REAL300017157068	0	46	-2.0	-107.23	370.33	7.25	-99.98
COC(=O)C1=COC(S(=O)(=O)[N-]C(CC(=O)[O-])C2CCCCC2)=C1	REAL300017157073	1	43	-2.0	-126.60	361.16	4.84	-121.76
COC(=O)C1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2CCCCC2)SC=N1	REAL300017157106	0	42	-2.0	-132.75	355.90	5.07	-127.68
O=C([O-])CC([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C1CCCCC1	REAL300017157116	1	40	-2.0	-129.30	337.16	7.53	-121.77
O=C([O-])CC([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C1CCCCC1	REAL300017157123	1	39	-2.0	-124.79	343.00	5.47	-119.32
N#CC1=CC=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2CCCCC2)O1	REAL300017157139	1	38	-2.0	-111.85	328.20	4.42	-107.43
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC(=O)[O-])C2CCCCC2)=N1	REAL300017157159	0	42	-2.0	-137.92	346.67	4.97	-132.95
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1CCCCC1	REAL300017157169	0	47	-2.0	-110.00	379.90	6.23	-103.77
O=C([O-])CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C1CCCCC1	REAL300017157170	0	43	-2.0	-114.90	344.21	6.66	-108.24
O=C([O-])CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300017157181	0	45	-3.0	-184.47	383.61	7.10	-177.37
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)=C1	REAL300017157182	0	47	-2.0	-107.43	372.75	6.16	-101.27
O=C([O-])CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C1CCCCC1	REAL300017157183	0	43	-3.0	-202.95	346.15	5.74	-197.21
O=C([O-])CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)C1CCCCC1	REAL300017157183	1	44	-2.0	-121.96	354.79	4.38	-117.58
O=C([O-])CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1CCCCC1	REAL300017157184	0	42	-2.0	-111.16	343.19	4.85	-106.31
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)C(C(=O)[O-])=NN1	REAL300017157185	0	43	-2.0	-117.73	347.75	4.43	-113.30
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC(=O)[O-])C1CCCCC1	REAL300017157186	0	46	-2.0	-118.76	364.42	7.62	-111.14
O=C([O-])CC(NS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1)C1CCCCC1	REAL300017157187	0	40	-2.0	-107.22	337.84	5.59	-101.63
O=C([O-])CC([N-]S(=O)(=O)C1=C(Br)C=CO1)C1CCCCC1	REAL300017157190	0	37	-2.0	-126.35	327.48	4.68	-121.67
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(CC(=O)[O-])C1CCCCC1	REAL300017157200	1	44	-2.0	-129.33	360.42	6.64	-122.69
O=C([O-])CC([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C1CCCCC1	REAL300017157221	1	43	-2.0	-137.82	350.18	5.93	-131.89
O=C([O-])CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCCC1	REAL300017157223	0	41	-2.0	-100.82	349.24	6.18	-94.64
O=C([O-])CC(NS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F)C1CCCCC1	REAL300017157281	0	43	-2.0	-115.62	346.73	6.64	-108.98
O=C([O-])CC(NS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1)C1CCCCC1	REAL300017157282	0	43	-2.0	-105.16	357.43	6.84	-98.32
O=C([O-])CC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C1CCCCC1	REAL300017157288	1	42	-2.0	-124.17	362.39	6.01	-118.16
O=C([O-])CC([N-]S(=O)(=O)C1=CC=C(Cl)O1)C1CCCCC1	REAL300017157289	1	37	-2.0	-123.81	320.90	4.71	-119.10
O=C([O-])CC([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C1CCCCC1	REAL300017157296	1	40	-2.0	-125.11	351.56	6.63	-118.48
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)=C1	REAL300017157307	1	46	-2.0	-113.36	375.19	3.81	-109.55
CCOC(=O)C1=CC(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)=N[N-]1	REAL300017157307	1	46	-2.0	-113.30	375.33	3.81	-109.49
O=C([O-])CC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C1CCCCC1	REAL300017157341	1	37	-2.0	-116.06	345.82	6.88	-109.18
N#CC1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2CCCCC2)OC=C1	REAL300017157346	1	38	-2.0	-125.49	323.01	4.58	-120.91
O=C([O-])CC(NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C1CCCCC1	REAL300017157402	0	50	-2.0	-103.20	400.66	8.44	-94.76
O=C([O-])CC([N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1CCCCC1	REAL300017157406	1	47	-2.0	-128.10	389.05	7.84	-120.26
CCC1=C(S(=O)(=O)NC(CC(=O)[O-])C2CCCCC2)C=C(C(=O)[O-])O1	REAL300017157415	0	46	-2.0	-109.68	370.21	6.86	-102.82
CCN1C=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017157421	0	38	-2.0	-107.33	334.93	5.46	-101.87
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157422	0	43	-2.0	-108.18	351.96	6.85	-101.33
C[C@@H]1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C[C@H]1C(=O)[O-]	REAL300017157423	0	44	-2.0	-111.52	356.94	7.62	-103.90
C[C@@H]1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C[C@H]1C(=O)[O-]	REAL300017157424	0	41	-2.0	-109.94	343.99	6.98	-102.96
C[C@@H]1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C[C@H]1C(=O)[O-]	REAL300017157426	0	34	-2.0	-100.39	312.92	5.58	-94.81
C[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C[C@H]1C(=O)[O-]	REAL300017157427	0	34	-2.0	-95.02	319.54	5.62	-89.40
C[C@@H]1CN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C[C@H]1C(=O)[O-]	REAL300017157428	0	34	-2.0	-99.31	307.96	5.29	-94.02
CC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017157429	0	37	-2.0	-97.22	323.05	5.76	-91.46
C[C@@H]1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C[C@H]1C(=O)[O-]	REAL300017157430	0	34	-2.0	-95.89	305.93	5.24	-90.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1C	REAL300017157431	0	40	-2.0	-97.93	331.27	6.26	-91.67
C[C@@H]1CN(S(=O)(=O)C2=CC=C(CC(=O)[O-])S2)C[C@H]1C(=O)[O-]	REAL300017157432	0	34	-2.0	-96.71	321.60	5.19	-91.52
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157433	0	37	-2.0	-97.11	314.45	5.75	-91.36
C[C@@H]1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C[C@H]1C(=O)[O-]	REAL300017157434	0	31	-2.0	-108.47	301.71	4.30	-104.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157435	0	40	-2.0	-108.67	340.40	7.12	-101.55
C[C@@H]1CN(S(=O)(=O)C2=CN(C)C(C(=O)[O-])=C2)C[C@H]1C(=O)[O-]	REAL300017157436	0	35	-2.0	-99.32	314.69	4.67	-94.65
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C1	REAL300017157437	0	34	-2.0	-95.29	317.23	5.00	-90.29
CC1=C(C(=O)[O-])C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=C(C)O1	REAL300017157438	0	37	-2.0	-104.93	320.65	5.71	-99.22
C[C@@H]1CN(S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C[C@H]1C(=O)[O-]	REAL300017157439	0	34	-2.0	-99.09	317.91	5.59	-93.50
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	REAL300017157440	0	37	-2.0	-97.41	309.18	5.63	-91.78
CCC1=CC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017157441	0	40	-2.0	-109.21	341.33	6.42	-102.79
CC1=CC(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=CC=C1C(=O)[O-]	REAL300017157442	0	37	-2.0	-94.82	323.05	5.77	-89.05
C[C@@H]1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C[C@H]1C(=O)[O-]	REAL300017157443	0	34	-2.0	-91.88	315.97	5.67	-86.21
C[C@@H]1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C[C@H]1C(=O)[O-]	REAL300017157444	0	37	-2.0	-94.91	337.14	6.04	-88.87
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)S1	REAL300017157596	1	34	-2.0	-92.18	320.20	1.05	-91.13
CC1=C(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017157598	0	34	-2.0	-95.81	307.87	4.88	-90.93
O=C([O-])CC1CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)CC1	REAL300017179011	0	42	-3.0	-169.17	362.93	7.33	-161.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CCCC(CC(=O)[O-])CC2)=C1	REAL300017179012	0	44	-2.0	-100.87	357.11	5.95	-94.92
O=C([O-])CC1CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])CC1	REAL300017179013	0	40	-3.0	-165.64	336.27	5.39	-160.25
O=C([O-])CC1CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)CC1	REAL300017179013	1	41	-2.0	-104.66	337.78	4.65	-100.01
O=C([O-])CC1CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300017179014	0	39	-2.0	-98.07	331.95	4.83	-93.24
CC1=C(S(=O)(=O)N2CCCC(CC(=O)[O-])CC2)C(C(=O)[O-])=NN1	REAL300017179015	0	40	-2.0	-115.38	324.56	4.51	-110.87
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(CC(=O)[O-])CC1	REAL300017179016	0	43	-2.0	-107.39	347.00	7.19	-100.20
O=C([O-])CC1CCCN(S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)CC1	REAL300017179017	0	37	-2.0	-100.86	329.91	5.89	-94.97
O=C([O-])CC1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300017179055	0	38	-2.0	-86.52	340.68	5.87	-80.65
O=C([O-])CC1CCCN(S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)CC1	REAL300017179117	0	40	-2.0	-101.79	338.94	6.66	-95.13
O=C([O-])CC1CCCN(S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)CC1	REAL300017179118	0	40	-2.0	-98.94	345.78	6.84	-92.10
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCC(CC(=O)[O-])CC2)=C1	REAL300017179144	1	43	-2.0	-96.61	362.73	3.88	-92.73
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC(CC(=O)[O-])CC2)=N[N-]1	REAL300017179144	1	43	-2.0	-96.52	362.84	3.88	-92.64
O=C([O-])CC1CCCN(S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)CC1	REAL300017179232	0	47	-2.0	-101.40	380.41	8.63	-92.77
CCC1=C(S(=O)(=O)N2CCCC(CC(=O)[O-])CC2)C=C(C(=O)[O-])O1	REAL300017179246	0	43	-2.0	-101.82	349.06	6.28	-95.54
CCN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017179252	0	38	-2.0	-99.72	330.92	5.57	-94.15
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179253	0	43	-2.0	-120.21	344.41	7.15	-113.06
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017179254	0	44	-2.0	-122.75	352.44	8.03	-114.72
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017179255	0	41	-2.0	-121.26	339.22	7.32	-113.94
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017179257	0	34	-2.0	-109.63	308.28	5.92	-103.71
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017179258	0	34	-2.0	-113.95	314.85	5.95	-108.00
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017179259	0	34	-2.0	-123.81	301.58	5.32	-118.49
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017179260	0	37	-2.0	-119.30	317.70	6.12	-113.18
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017179261	0	34	-2.0	-98.72	302.34	5.58	-93.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1C	REAL300017179262	0	40	-2.0	-120.32	326.72	6.63	-113.69
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])S1	REAL300017179263	0	34	-2.0	-104.35	317.45	5.34	-99.01
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179264	0	37	-2.0	-118.72	309.24	6.08	-112.64
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017179265	0	31	-2.0	-97.39	295.96	4.41	-92.98
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179266	0	40	-2.0	-104.75	333.94	7.28	-97.47
CN1C=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017179267	0	35	-2.0	-118.17	309.65	4.73	-113.44
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C1	REAL300017179268	0	34	-2.0	-95.41	311.43	5.25	-90.16
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=C(C)O1	REAL300017179269	0	37	-2.0	-133.61	311.92	5.76	-127.85
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017179270	0	34	-2.0	-108.04	313.08	5.94	-102.10
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@H]1CC(=O)[O-]	REAL300017179271	0	37	-2.0	-98.19	306.35	6.05	-92.14
CCC1=CC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C1C(=O)[O-]	REAL300017179272	0	40	-2.0	-120.17	335.84	6.77	-113.40
CC1=CC(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])=CC=C1C(=O)[O-]	REAL300017179273	0	37	-2.0	-101.49	321.97	6.23	-95.26
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017179274	0	34	-2.0	-95.42	311.47	6.04	-89.38
O=C([O-])C[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017179275	0	37	-2.0	-95.02	332.47	6.37	-88.65
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])S1	REAL300017179427	1	34	-2.0	-99.63	316.24	1.23	-98.40
CC1=C(S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017179429	0	34	-2.0	-114.91	304.29	5.27	-109.64
O=C([O-])C1=CC(S(=O)(=O)N2CCC3C2CCCN3CCO)=CC(C(=O)[O-])=C1	REAL300017190012	0	47	-2.0	-111.12	387.40	1.65	-109.47
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CC2CCC3)=C1	REAL300017190122	0	38	-2.0	-110.44	324.57	6.54	-103.90
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC3CC2CCC3)=C1	REAL300017190124	0	36	-2.0	-110.45	297.69	4.70	-105.75
O=C([O-])C1=CC(S(=O)(=O)N2C3CCC2CC(CCF)C3)=CC(C(=O)[O-])=C1	REAL300017190208	0	44	-2.0	-111.79	356.89	7.36	-104.43
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2C3CCC2CC(CCF)C3)=C1	REAL300017190210	0	42	-2.0	-114.68	341.01	5.86	-108.82
CC(C)(C)OC(=O)C1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])CCCCC1	REAL300017190234	0	50	-2.0	-105.55	379.72	6.77	-98.78
CC1(C)CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CO1	REAL300017190309	1	35	-2.0	-93.07	318.88	2.81	-90.26
CC1(C)CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)CO1	REAL300017190334	1	35	-2.0	-90.33	323.27	2.82	-87.51
CC1(C)CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)CO1	REAL300017190338	0	38	-2.0	-108.40	339.61	3.43	-104.97
CC1(C)CC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])CO1	REAL300017190340	0	36	-2.0	-105.77	318.19	1.49	-104.28
CCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017190350	0	38	-2.0	-108.19	334.56	5.40	-102.79
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190351	0	43	-2.0	-96.47	352.86	6.78	-89.69
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C1	REAL300017190352	0	44	-2.0	-109.18	355.90	7.57	-101.61
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C1	REAL300017190353	0	41	-2.0	-98.30	343.18	6.86	-91.44
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C1	REAL300017190355	0	34	-2.0	-94.55	312.13	5.45	-89.10
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017190356	0	34	-2.0	-105.76	319.57	5.55	-100.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300017190357	0	34	-2.0	-109.25	305.24	5.13	-104.12
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017190358	0	37	-2.0	-108.55	323.08	5.69	-102.86
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300017190359	0	34	-2.0	-101.21	304.71	5.09	-96.12
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C	REAL300017190360	0	40	-2.0	-112.35	332.29	6.13	-106.22
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])S2)C1	REAL300017190361	0	34	-2.0	-93.00	321.64	5.10	-87.90
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190362	0	37	-2.0	-108.18	314.07	5.67	-102.51
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300017190363	0	31	-2.0	-103.55	299.95	4.20	-99.35
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190364	0	40	-2.0	-119.38	339.14	7.01	-112.37
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017190365	0	35	-2.0	-107.09	313.19	4.54	-102.55
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300017190366	0	34	-2.0	-98.23	314.34	4.82	-93.41
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C)O1	REAL300017190367	0	37	-2.0	-103.09	319.23	5.58	-97.51
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C1	REAL300017190368	0	34	-2.0	-99.91	317.69	5.51	-94.40
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300017190369	0	37	-2.0	-107.87	311.55	5.52	-102.35
CCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017190370	0	40	-2.0	-109.91	340.49	6.36	-103.55
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1C(=O)[O-]	REAL300017190371	0	37	-2.0	-96.55	322.56	5.72	-90.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300017190372	0	34	-2.0	-93.39	314.25	5.55	-87.84
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C1	REAL300017190373	0	37	-2.0	-93.87	336.66	5.98	-87.89
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300017190525	1	34	-2.0	-92.44	318.62	0.96	-91.48
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017190527	0	34	-2.0	-106.15	309.23	4.86	-101.29
COC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017195025	1	28	-2.0	-123.87	299.47	3.47	-120.40
COC[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017195031	0	28	-2.0	-120.62	298.55	1.77	-118.85
COC[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017195033	1	28	-2.0	-120.55	298.57	1.77	-118.78
COC[C@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017195034	1	28	-2.0	-119.30	284.27	1.22	-118.08
COC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017195044	0	28	-2.0	-132.99	275.87	1.99	-131.00
COC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300017195064	0	35	-2.0	-140.51	338.76	1.44	-139.07
COC[C@H]([N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017195070	1	31	-2.0	-114.73	325.35	0.44	-114.29
N#CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCOCC1	REAL300017206033	1	36	-2.0	-92.96	333.82	2.74	-90.22
N#CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)CCOCC1	REAL300017206053	1	36	-2.0	-90.53	338.23	2.76	-87.77
N#CC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)CCOCC1	REAL300017206057	0	39	-2.0	-111.18	351.10	3.49	-107.69
N#CC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])CCOCC1	REAL300017206059	0	37	-2.0	-103.52	321.08	1.55	-101.97
C[C@@H]1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])CCN1CC1=CC=CC=C1	REAL300017206093	0	47	-2.0	-108.59	384.96	5.24	-103.35
CCN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017206098	0	36	-2.0	-133.53	320.14	6.04	-127.49
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206099	0	41	-2.0	-138.42	333.34	7.18	-131.24
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206100	0	42	-2.0	-138.94	335.54	8.01	-130.93
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206101	0	39	-2.0	-138.94	324.50	7.26	-131.68
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206103	0	32	-2.0	-125.21	296.82	6.09	-119.12
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1Cl	REAL300017206104	0	32	-2.0	-99.63	296.02	5.97	-93.66
O=C([O-])C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206105	0	32	-2.0	-104.30	287.27	5.65	-98.65
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017206106	0	35	-2.0	-104.73	303.51	6.22	-98.51
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300017206107	0	32	-2.0	-107.05	287.74	5.75	-101.30
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1C	REAL300017206108	0	38	-2.0	-120.61	325.82	6.64	-113.97
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300017206109	0	32	-2.0	-104.71	298.53	5.54	-99.17
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206110	0	35	-2.0	-135.38	295.35	6.21	-129.17
O=C([O-])C1=CSC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206111	0	29	-2.0	-102.43	277.66	4.64	-97.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206112	0	38	-2.0	-136.02	312.62	7.05	-128.97
CN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017206113	0	33	-2.0	-131.89	298.77	5.17	-126.72
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300017206114	0	32	-2.0	-103.32	298.00	5.45	-97.87
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C(C)O1	REAL300017206115	0	35	-2.0	-107.59	290.68	5.50	-102.09
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C(Cl)C=C1F	REAL300017206116	0	32	-2.0	-123.74	301.55	6.00	-117.74
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300017206117	0	35	-2.0	-103.67	289.54	6.06	-97.61
CCC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(=O)[O-]	REAL300017206118	0	38	-2.0	-134.76	317.43	6.76	-128.00
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1C(=O)[O-]	REAL300017206119	0	35	-2.0	-104.87	299.62	6.14	-98.73
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(Br)=C1	REAL300017206120	0	32	-2.0	-102.99	296.00	6.13	-96.86
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(F)(F)F	REAL300017206121	0	35	-2.0	-105.96	313.63	6.40	-99.56
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300017206273	1	32	-2.0	-110.92	300.57	1.42	-109.50
CC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C(C(=O)[O-])S1	REAL300017206274	0	32	-2.0	-132.39	294.64	5.40	-126.99
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(F)=C1	REAL300017206651	1	37	-2.0	-105.86	336.06	1.92	-103.94
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300017208054	0	38	-2.0	-128.57	317.70	6.77	-121.80
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300017208055	0	42	-2.0	-102.85	355.82	4.83	-98.02
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300017208056	0	43	-2.0	-126.61	365.58	7.36	-119.25
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300017208057	0	42	-2.0	-139.29	356.43	6.85	-132.44
COC1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1CC(=O)[O-]	REAL300017208058	0	42	-2.0	-130.07	352.93	6.41	-123.66
CC1=CC(C)=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1C(=O)[O-]	REAL300017208059	0	41	-2.0	-139.77	326.63	7.32	-132.45
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300017208060	0	39	-2.0	-141.08	320.73	4.79	-136.29
COC1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC(C(=O)[O-])=C1OC	REAL300017208061	0	43	-2.0	-136.72	360.80	6.11	-130.61
CCOC1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1C(=O)[O-]	REAL300017208062	0	42	-2.0	-144.07	351.63	7.27	-136.80
O=C([O-])C1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CS1	REAL300017208063	0	32	-2.0	-103.34	291.06	5.29	-98.05
CC1=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C(C(=O)[O-])O1	REAL300017208064	0	35	-2.0	-128.06	302.11	5.32	-122.74
O=C([O-])C1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC2=C1OCCO2	REAL300017208065	0	41	-2.0	-113.15	344.67	6.06	-107.09
O=C([O-])COC1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1Cl	REAL300017208066	0	39	-2.0	-107.59	349.61	7.10	-100.49
CC1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC=C1OCC(=O)[O-]	REAL300017208067	0	42	-2.0	-107.59	353.64	7.27	-100.32
CC1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC=C1OCCCC(=O)[O-]	REAL300017208068	0	48	-2.0	-106.09	396.08	8.20	-97.89
O=C([O-])C1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC(Cl)=C1Cl	REAL300017208069	0	35	-2.0	-124.04	330.17	7.14	-116.90
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300017208070	0	35	-2.0	-120.41	327.47	6.97	-113.44
CC1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C(C)=C1C(=O)[O-]	REAL300017208071	0	41	-2.0	-109.76	328.30	7.36	-102.40
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300017208072	0	38	-2.0	-114.00	312.44	6.72	-107.28
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300017208073	0	35	-2.0	-101.03	308.90	6.35	-94.68
O=C([O-])C1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C(Cl)=C1	REAL300017208074	0	35	-2.0	-105.05	312.29	6.53	-98.52
O=C([O-])C1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1F	REAL300017208075	0	35	-2.0	-106.27	307.01	6.32	-99.95
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300017208076	0	38	-2.0	-130.40	326.28	7.14	-123.26
O=C([O-])C1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC(Cl)=C1F	REAL300017208077	0	35	-2.0	-125.80	323.20	6.82	-118.98
O=C([O-])C1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC(F)=C1Cl	REAL300017208078	0	35	-2.0	-122.57	320.85	6.73	-115.84
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1F	REAL300017208079	0	38	-2.0	-128.75	332.33	7.04	-121.71
O=C([O-])C1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C(Cl)C=C1Cl	REAL300017208145	0	35	-2.0	-124.05	325.08	6.94	-117.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300017208146	0	39	-2.0	-138.83	334.20	6.09	-132.74
O=C([O-])C1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC=C1O	REAL300017208147	0	36	-2.0	-137.12	311.29	4.34	-132.78
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300017208148	0	39	-2.0	-108.67	330.81	7.54	-101.13
O=C([O-])CCC1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300017208149	0	41	-2.0	-105.20	342.93	7.83	-97.37
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300017208150	0	35	-2.0	-127.38	311.54	6.34	-121.04
O=C([O-])CC1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300017208151	0	38	-2.0	-109.99	321.53	7.03	-102.96
COC1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1C(=O)[O-]	REAL300017208152	0	39	-2.0	-110.22	329.77	6.35	-103.87
O=C([O-])COC1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300017208153	0	39	-2.0	-105.28	330.43	6.53	-98.75
O=C([O-])COC1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1F	REAL300017208154	0	39	-2.0	-110.31	339.80	6.63	-103.68
O=C([O-])C1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C(F)=C1	REAL300017208155	0	35	-2.0	-104.27	311.87	6.36	-97.91
O=C([O-])C1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1Cl	REAL300017208156	0	35	-2.0	-104.81	314.99	6.68	-98.13
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300017208157	0	38	-2.0	-107.99	331.57	7.01	-100.98
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300017208158	0	43	-2.0	-106.41	367.11	7.79	-98.62
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300017208159	0	35	-2.0	-116.77	318.28	6.46	-110.31
CC1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC(C(=O)[O-])=C1C	REAL300017208160	0	41	-2.0	-109.21	340.01	7.48	-101.73
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300017208161	0	37	-2.0	-98.80	330.68	6.96	-91.84
COC1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C(Cl)C=C1C(=O)[O-]	REAL300017208162	0	39	-2.0	-108.97	339.19	6.59	-102.38
CC1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC(C(=O)[O-])=C1F	REAL300017208163	0	38	-2.0	-136.45	327.32	6.94	-129.51
CC1=CC(F)=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1C(=O)[O-]	REAL300017208164	0	38	-2.0	-127.05	323.34	6.90	-120.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1Cl	REAL300017208165	0	38	-2.0	-130.04	331.16	7.11	-122.93
CC1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC(C(=O)[O-])=C1Cl	REAL300017208166	0	38	-2.0	-134.12	333.71	7.25	-126.87
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300017208167	0	38	-2.0	-101.68	321.20	7.17	-94.51
COC1=CC(Cl)=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1C(=O)[O-]	REAL300017208168	0	39	-2.0	-134.89	339.22	6.61	-128.28
O=C([O-])C1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C([N+](=O)[O-])=C1	REAL300017208169	0	37	-2.0	-99.99	311.83	7.15	-92.84
O=C([O-])C1=CC=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)S1	REAL300017208170	0	32	-2.0	-113.25	292.82	5.41	-107.84
O=C([O-])CC1=CC=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300017208171	0	38	-2.0	-109.69	324.65	7.05	-102.64
O=C([O-])C1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC=C1[N+](=O)[O-]	REAL300017208172	0	37	-2.0	-103.95	329.04	7.37	-96.58
CC1=CC(C)=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C(C)=C1CC(=O)[O-]	REAL300017208173	0	47	-2.0	-135.85	350.68	8.49	-127.36
O=C([O-])C1=CC=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1[N+](=O)[O-]	REAL300017208174	0	37	-2.0	-105.09	315.21	7.88	-97.21
CC(C)(C)C1=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C(C(=O)[O-])S1	REAL300017208175	0	44	-2.0	-118.49	351.94	8.06	-110.43
CC1=C(Cl)C=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1C(=O)[O-]	REAL300017208176	0	38	-2.0	-127.26	332.21	7.25	-120.01
CC1=C(F)C=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1C(=O)[O-]	REAL300017208177	0	38	-2.0	-125.47	323.51	6.86	-118.61
O=C([O-])C1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC2=CC=CC=C21	REAL300017208178	0	41	-2.0	-146.35	343.55	8.43	-137.92
O=C([O-])C1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C(F)C(F)=C1F	REAL300017208293	0	35	-2.0	-114.90	322.52	6.46	-108.44
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1OC	REAL300017208295	0	46	-2.0	-122.62	383.99	6.87	-115.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300017208296	0	39	-2.0	-112.91	334.58	6.13	-106.78
O=C([O-])C1=CC=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1F	REAL300017208297	0	35	-2.0	-106.93	310.24	6.37	-100.56
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300017208311	0	37	-3.0	-197.86	330.91	6.86	-191.00
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300017208312	0	39	-2.0	-107.74	335.30	5.41	-102.33
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300017208313	0	35	-3.0	-210.54	312.22	4.88	-205.66
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300017208313	1	36	-2.0	-135.16	310.15	4.29	-130.87
O=C([O-])C1=CC=NC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300017208314	0	34	-2.0	-108.10	301.43	4.72	-103.38
CC1=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C(C(=O)[O-])=NN1	REAL300017208315	0	35	-2.0	-109.01	284.99	3.44	-105.57
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300017208316	0	38	-2.0	-137.30	314.65	6.77	-130.53
O=C([O-])C1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C(Cl)O1	REAL300017208317	0	32	-2.0	-116.92	306.12	5.27	-111.65
O=C([O-])C12CCC(CC1)N2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017208361	0	33	-2.0	-105.55	316.89	5.36	-100.19
O=C([O-])C1=C(F)C=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1F	REAL300017208423	0	35	-2.0	-104.98	314.11	6.34	-98.64
O=C([O-])C1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=CC(F)=C1F	REAL300017208424	0	35	-2.0	-124.43	313.32	6.38	-118.05
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300017208453	1	38	-2.0	-120.38	334.43	3.58	-116.80
CCOC(=O)C1=CC(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)=N[N-]1	REAL300017208453	1	38	-2.0	-120.67	333.68	3.58	-117.09
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2C1	REAL300017208539	0	42	-2.0	-122.42	347.94	8.17	-114.25
CCC1=C(S(=O)(=O)N2C3CCC2(C(=O)[O-])CC3)C=C(C(=O)[O-])O1	REAL300017208553	0	38	-2.0	-128.65	322.58	6.02	-122.63
CCN1C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017208559	0	37	-2.0	-105.63	313.57	5.67	-99.96
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208560	0	42	-2.0	-108.82	331.48	6.54	-102.28
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017208561	0	43	-2.0	-107.35	334.29	7.34	-100.01
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017208562	0	40	-2.0	-107.14	323.66	6.57	-100.57
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017208564	0	33	-2.0	-99.30	293.05	5.32	-93.98
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017208565	0	33	-2.0	-113.39	298.46	5.79	-107.60
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017208566	0	33	-2.0	-105.85	285.93	5.38	-100.47
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017208567	0	36	-2.0	-107.61	304.53	6.03	-101.58
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017208568	0	33	-2.0	-101.06	285.92	5.42	-95.64
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1C	REAL300017208569	0	39	-2.0	-105.55	309.26	5.93	-99.62
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017208570	0	33	-2.0	-106.69	301.08	5.47	-101.22
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208571	0	36	-2.0	-104.00	292.50	5.41	-98.59
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017208572	0	30	-2.0	-102.20	279.57	4.56	-97.64
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208573	0	39	-2.0	-108.77	313.77	6.30	-102.47
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017208574	0	34	-2.0	-104.80	292.25	4.80	-100.00
CC1=C(C(=O)[O-])SC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300017208575	0	33	-2.0	-104.00	295.99	5.15	-98.85
CC1=C(C(=O)[O-])C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C(C)O1	REAL300017208576	0	36	-2.0	-110.34	294.21	5.20	-105.14
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017208577	0	33	-2.0	-99.42	297.48	5.35	-94.07
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017208578	0	36	-2.0	-110.21	290.47	5.33	-104.88
CCC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017208579	0	39	-2.0	-117.80	320.01	6.58	-111.22
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1C(=O)[O-]	REAL300017208580	0	36	-2.0	-101.00	301.84	5.93	-95.07
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017208581	0	33	-2.0	-97.70	295.61	5.39	-92.31
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017208582	0	36	-2.0	-97.42	316.04	6.21	-91.21
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(F)=C1	REAL300017208674	1	44	-2.0	-93.81	373.67	2.79	-91.02
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])S1	REAL300017208714	1	33	-2.0	-100.15	299.94	1.36	-98.79
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017208715	0	33	-2.0	-102.69	288.69	4.64	-98.05
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017209085	1	38	-2.0	-92.86	330.70	1.10	-91.76
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300017209164	0	45	-2.0	-114.96	373.37	1.66	-113.30
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CCCC2)C1	REAL300017215012	0	47	-2.0	-93.76	382.46	8.21	-85.55
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C=C1C(=O)[O-]	REAL300017215013	0	50	-2.0	-98.57	392.37	8.71	-89.86
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CCCC2)C1	REAL300017215014	0	48	-2.0	-114.60	389.64	6.33	-108.27
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=CS1	REAL300017215015	0	41	-2.0	-96.10	356.77	6.61	-89.49
CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C=C(C(=O)[O-])O1	REAL300017215016	0	44	-2.0	-106.06	364.71	6.69	-99.37
CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C(C)=C1C(=O)[O-]	REAL300017215017	0	50	-2.0	-123.58	395.01	8.83	-114.75
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CCCC2)C1	REAL300017215018	0	47	-2.0	-100.63	378.44	8.31	-92.32
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=C1	REAL300017215019	0	44	-2.0	-109.63	374.81	7.78	-101.85
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C=C1F	REAL300017215020	0	44	-2.0	-96.34	367.43	7.55	-88.79
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=C1F	REAL300017215021	0	47	-2.0	-102.73	389.11	8.30	-94.43
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CCCC2)C1	REAL300017215064	0	48	-2.0	-110.51	390.90	7.60	-102.91
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=CC=C1O	REAL300017215065	0	45	-2.0	-98.92	373.92	5.60	-93.32
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C=C1	REAL300017215066	0	48	-2.0	-101.53	399.84	9.02	-92.51
O=C([O-])CCC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C=C1	REAL300017215067	0	50	-2.0	-97.48	411.33	9.32	-88.16
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=C1	REAL300017215068	0	44	-2.0	-105.47	369.55	7.65	-97.82
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C=C1	REAL300017215069	0	47	-2.0	-101.01	390.56	8.51	-92.50
COC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C=C1C(=O)[O-]	REAL300017215070	0	48	-2.0	-103.11	392.40	7.62	-95.49
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C=C1	REAL300017215071	0	48	-2.0	-98.31	398.83	8.02	-90.29
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C(F)=C1	REAL300017215072	0	44	-2.0	-99.55	369.52	7.67	-91.88
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=C1	REAL300017215073	0	47	-2.0	-110.53	389.14	8.29	-102.24
CC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=CC(C(=O)[O-])=C1C	REAL300017215074	0	50	-2.0	-122.18	404.98	8.90	-113.28
CC1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=CC(C(=O)[O-])=C1F	REAL300017215075	0	47	-2.0	-119.66	393.23	8.38	-111.28
CC1=CC(F)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C=C1C(=O)[O-]	REAL300017215076	0	47	-2.0	-102.39	385.50	8.22	-94.17
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)S1	REAL300017215077	0	41	-2.0	-96.91	359.36	6.84	-90.07
O=C([O-])CC1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=C1	REAL300017215078	0	47	-2.0	-104.96	387.30	8.33	-96.63
CC1=C(F)C=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C=C1C(=O)[O-]	REAL300017215079	0	47	-2.0	-97.74	389.57	8.30	-89.44
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CCCC2)C1	REAL300017215180	0	48	-2.0	-100.23	391.54	7.62	-92.61
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=C1F	REAL300017215181	0	44	-2.0	-110.13	367.73	7.62	-102.51
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=C1	REAL300017215192	0	48	-2.0	-123.51	393.99	6.86	-116.65
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=C1	REAL300017215193	0	44	-3.0	-185.94	369.70	6.41	-179.53
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=C1	REAL300017215193	1	45	-2.0	-99.90	374.83	5.45	-94.45
O=C([O-])C1=CC=NC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=C1	REAL300017215194	0	43	-2.0	-104.79	363.72	5.87	-98.92
CC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C(C(=O)[O-])=NN1	REAL300017215195	0	44	-2.0	-110.20	359.83	5.56	-104.64
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CCCC2)C1	REAL300017215196	0	47	-2.0	-109.34	374.08	8.00	-101.34
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=C(Cl)O1	REAL300017215197	0	41	-2.0	-97.77	362.28	6.52	-91.25
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=C1	REAL300017215290	1	47	-2.0	-94.45	393.34	4.69	-89.76
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)=N[N-]1	REAL300017215290	1	47	-2.0	-94.46	393.44	4.69	-89.77
CCC1=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CCCC3)C2)C=C(C(=O)[O-])O1	REAL300017215395	0	47	-2.0	-97.04	385.69	7.36	-89.68
CCN1C=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017215401	0	38	-2.0	-104.73	333.18	5.79	-98.94
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215402	0	43	-2.0	-110.01	359.36	7.68	-102.33
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017215403	0	44	-2.0	-111.59	360.09	8.27	-103.32
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017215404	0	41	-2.0	-104.08	339.09	7.17	-96.91
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017215406	0	34	-2.0	-95.54	306.59	5.60	-89.94
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017215407	0	34	-2.0	-101.11	318.11	5.95	-95.16
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017215408	0	34	-2.0	-103.39	305.63	5.55	-97.84
CC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017215409	0	37	-2.0	-105.03	321.55	6.10	-98.93
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017215410	0	34	-2.0	-96.79	305.58	5.56	-91.23
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1C	REAL300017215411	0	40	-2.0	-104.15	328.58	6.54	-97.61
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017215412	0	34	-2.0	-95.05	318.50	5.54	-89.51
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215413	0	37	-2.0	-102.99	311.56	6.01	-96.98
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017215414	0	31	-2.0	-98.71	298.36	4.60	-94.11
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215415	0	40	-2.0	-110.14	336.64	7.36	-102.78
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017215416	0	35	-2.0	-102.53	312.24	4.91	-97.62
CC1=C(C(=O)[O-])SC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300017215417	0	34	-2.0	-95.73	314.41	5.24	-90.49
CC1=C(C(=O)[O-])C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=C(C)O1	REAL300017215418	0	37	-2.0	-107.33	317.74	5.95	-101.38
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017215419	0	34	-2.0	-96.30	316.20	5.87	-90.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300017215420	0	37	-2.0	-100.54	307.31	5.90	-94.64
CCC1=CC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017215421	0	40	-2.0	-105.24	339.79	6.75	-98.49
CC1=CC(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1C(=O)[O-]	REAL300017215422	0	37	-2.0	-95.83	321.02	6.12	-89.71
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017215423	0	34	-2.0	-93.00	313.66	5.97	-87.03
CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017215424	0	37	-2.0	-94.91	335.35	6.37	-88.54
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300017215576	1	34	-2.0	-93.70	318.68	1.37	-92.33
CC1=C(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017215578	0	34	-2.0	-100.01	303.49	4.99	-95.02
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(=O)NCC1C(=O)[O-]	REAL300017239032	0	35	-2.0	-115.84	303.58	2.65	-113.19
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1	REAL300017239033	0	39	-2.0	-93.79	340.69	0.70	-93.09
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CC(=O)NCC1C(=O)[O-]	REAL300017239034	0	40	-2.0	-110.74	342.94	3.25	-107.49
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CC(=O)NCC1C(=O)[O-]	REAL300017239035	0	39	-2.0	-113.31	333.73	2.71	-110.60
COC1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1CC(=O)[O-]	REAL300017239036	0	39	-2.0	-118.96	334.68	2.21	-116.75
CC1=CC(C)=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1C(=O)[O-]	REAL300017239037	0	38	-2.0	-126.72	311.45	3.23	-123.49
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(=O)NCC1C(=O)[O-]	REAL300017239038	0	36	-2.0	-126.83	308.37	0.83	-126.00
COC1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017239039	0	40	-2.0	-97.50	339.73	1.81	-95.69
CCOC1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1C(=O)[O-]	REAL300017239040	0	39	-2.0	-102.45	333.33	3.05	-99.40
O=C([O-])C1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CS1	REAL300017239041	0	29	-2.0	-97.81	277.85	1.36	-96.45
CC1=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017239042	0	32	-2.0	-116.38	291.48	1.29	-115.09
O=C([O-])C1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC2=C1OCCO2	REAL300017239043	0	38	-2.0	-104.87	326.29	1.83	-103.04
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1Cl	REAL300017239044	0	36	-2.0	-96.68	333.17	3.05	-93.63
CC1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017239045	0	39	-2.0	-97.17	335.35	3.07	-94.10
O=C([O-])C1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC(Cl)=C1Cl	REAL300017239046	0	32	-2.0	-90.43	311.80	2.90	-87.53
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1	REAL300017239047	0	32	-2.0	-106.13	307.16	2.72	-103.41
CC1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017239048	0	38	-2.0	-102.66	319.45	3.30	-99.36
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC(=O)NCC1C(=O)[O-]	REAL300017239049	0	35	-2.0	-100.64	291.77	2.33	-98.31
O=C([O-])C1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC(F)=C1	REAL300017239050	0	32	-2.0	-112.88	290.55	2.13	-110.75
O=C([O-])C1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C(Cl)=C1	REAL300017239051	0	32	-2.0	-94.55	292.05	2.30	-92.25
O=C([O-])C1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1F	REAL300017239052	0	32	-2.0	-101.21	290.71	2.28	-98.93
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(=O)NCC1C(=O)[O-]	REAL300017239053	0	35	-2.0	-117.54	312.38	3.04	-114.50
O=C([O-])C1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC(Cl)=C1F	REAL300017239054	0	32	-2.0	-91.80	304.83	2.59	-89.21
O=C([O-])C1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC(F)=C1Cl	REAL300017239055	0	32	-2.0	-90.42	302.49	2.49	-87.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1F	REAL300017239056	0	35	-2.0	-113.51	309.64	2.70	-110.81
O=C([O-])C1=C(Cl)C=C(Cl)C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1	REAL300017239122	0	32	-2.0	-108.77	304.63	2.67	-106.10
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(=O)NCC1C(=O)[O-]	REAL300017239123	0	36	-2.0	-121.22	311.50	1.96	-119.26
O=C([O-])C1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC=C1O	REAL300017239124	0	33	-2.0	-124.21	293.01	0.13	-124.08
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1	REAL300017239125	0	36	-2.0	-99.39	315.66	3.41	-95.98
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1	REAL300017239126	0	38	-2.0	-96.39	327.85	3.70	-92.69
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1	REAL300017239127	0	32	-2.0	-112.41	289.35	2.07	-110.34
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1	REAL300017239128	0	35	-2.0	-100.70	306.45	2.89	-97.81
COC1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1C(=O)[O-]	REAL300017239129	0	36	-2.0	-130.08	311.48	2.15	-127.93
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1	REAL300017239130	0	36	-2.0	-96.63	317.78	2.63	-94.00
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1F	REAL300017239131	0	36	-2.0	-99.05	323.37	2.56	-96.49
O=C([O-])C1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C(F)=C1	REAL300017239132	0	32	-2.0	-99.03	291.93	2.54	-96.49
O=C([O-])C1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1Cl	REAL300017239133	0	32	-2.0	-97.58	298.62	2.62	-94.96
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1	REAL300017239134	0	35	-2.0	-99.93	313.77	2.83	-97.10
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1	REAL300017239135	0	40	-2.0	-95.54	347.95	3.52	-92.02
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1	REAL300017239136	0	32	-2.0	-103.72	295.64	2.12	-101.60
CC1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017239137	0	38	-2.0	-99.91	320.56	3.22	-96.69
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1	REAL300017239138	0	34	-2.0	-106.31	312.34	2.73	-103.58
COC1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017239139	0	36	-2.0	-98.26	319.30	2.39	-95.87
CC1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017239140	0	35	-2.0	-123.59	308.98	2.72	-120.87
CC1=CC(F)=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1C(=O)[O-]	REAL300017239141	0	35	-2.0	-113.92	308.72	2.70	-111.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1Cl	REAL300017239142	0	35	-2.0	-114.18	310.84	2.85	-111.33
CC1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017239143	0	35	-2.0	-121.06	315.37	3.02	-118.04
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CC(=O)NCC1C(=O)[O-]	REAL300017239144	0	35	-2.0	-94.81	311.49	3.04	-91.77
COC1=CC(Cl)=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1C(=O)[O-]	REAL300017239145	0	36	-2.0	-118.95	319.24	2.36	-116.59
O=C([O-])C1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300017239146	0	34	-2.0	-99.17	306.34	3.56	-95.61
O=C([O-])C1=CC=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])S1	REAL300017239147	0	29	-2.0	-95.64	278.15	1.23	-94.41
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1	REAL300017239148	0	35	-2.0	-97.97	303.78	2.67	-95.30
O=C([O-])C1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017239149	0	34	-2.0	-120.26	309.25	3.25	-117.01
CC1=CC(C)=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017239150	0	44	-2.0	-116.19	340.20	4.29	-111.90
O=C([O-])C1=C([N+](=O)[O-])C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC=C1	REAL300017239151	0	34	-2.0	-99.32	305.26	3.57	-95.75
CC(C)(C)C1=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017239152	0	41	-2.0	-108.35	344.08	4.19	-104.16
CC1=C(Cl)C=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1C(=O)[O-]	REAL300017239153	0	35	-2.0	-93.97	317.82	3.12	-90.85
CC1=C(F)C=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C1C(=O)[O-]	REAL300017239154	0	35	-2.0	-93.93	309.14	2.72	-91.21
O=C([O-])C1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC2=CC=CC=C21	REAL300017239155	0	38	-2.0	-108.86	333.13	4.66	-104.20
O=C([O-])C1=C(F)C(F)=C(F)C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1	REAL300017239272	0	32	-2.0	-103.49	304.01	2.29	-101.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC(=O)NCC1C(=O)[O-]	REAL300017239274	0	36	-2.0	-101.58	316.13	1.96	-99.62
O=C([O-])C1=C(F)C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC=C1	REAL300017239275	0	32	-2.0	-99.82	288.65	1.82	-98.00
O=C([O-])C1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017239289	0	34	-3.0	-187.95	312.53	2.61	-185.34
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1	REAL300017239290	0	36	-2.0	-101.27	309.33	1.31	-99.96
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1	REAL300017239291	0	32	-3.0	-196.10	289.50	0.73	-195.37
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1	REAL300017239291	1	33	-2.0	-117.14	290.02	-0.02	-117.16
O=C([O-])C1=CC=NC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1	REAL300017239292	0	31	-2.0	-98.64	284.16	0.86	-97.78
CC1=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C(C(=O)[O-])=NN1	REAL300017239293	0	32	-2.0	-108.72	275.13	-0.03	-108.75
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC(=O)NCC1C(=O)[O-]	REAL300017239294	0	35	-2.0	-124.55	304.18	2.82	-121.73
O=C([O-])C1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C(Cl)O1	REAL300017239295	0	29	-2.0	-103.63	283.95	0.98	-102.65
O=C([O-])C1CNC(=O)CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017239336	0	30	-2.0	-109.54	299.61	2.16	-107.38
O=C([O-])C1=C(F)C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC=C1F	REAL300017239399	0	32	-2.0	-99.34	292.10	2.09	-97.25
O=C([O-])C1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=CC(F)=C1F	REAL300017239400	0	32	-2.0	-91.83	294.94	2.15	-89.68
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=C1	REAL300017239429	1	35	-2.0	-107.72	315.45	-0.32	-108.04
CCOC(=O)C1=CC(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])=N[N-]1	REAL300017239429	1	35	-2.0	-107.66	315.62	-0.31	-107.97
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CC(=O)NCC3C(=O)[O-])C=C2C1	REAL300017239515	0	39	-2.0	-101.78	332.71	4.20	-97.58
CCC1=C(S(=O)(=O)N2CC(=O)NCC2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017239529	0	35	-2.0	-113.05	304.44	1.65	-111.40
CCN1C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017239535	0	36	-2.0	-99.31	326.68	5.78	-93.53
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239536	0	41	-2.0	-116.86	341.62	6.87	-109.99
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017239537	0	42	-2.0	-109.16	348.03	7.88	-101.28
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017239538	0	39	-2.0	-98.78	335.85	7.12	-91.66
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017239540	0	32	-2.0	-94.62	306.19	5.90	-88.72
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1Cl	REAL300017239541	0	32	-2.0	-96.19	311.85	5.91	-90.28
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017239542	0	32	-2.0	-110.69	299.35	5.53	-105.16
CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017239543	0	35	-2.0	-110.77	315.40	6.06	-104.71
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300017239544	0	32	-2.0	-96.35	298.65	5.58	-90.77
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1C	REAL300017239545	0	38	-2.0	-97.37	318.52	6.32	-91.05
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)S1	REAL300017239546	0	32	-2.0	-97.32	313.56	5.55	-91.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239547	0	35	-2.0	-97.66	305.66	5.99	-91.67
O=C([O-])C1=CSC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017239548	0	29	-2.0	-104.06	292.93	4.54	-99.52
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239549	0	38	-2.0	-137.16	328.84	7.46	-129.70
CN1C=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017239550	0	33	-2.0	-110.35	306.60	4.70	-105.65
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300017239551	0	32	-2.0	-116.27	309.07	5.04	-111.23
CC1=C(C(=O)[O-])C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(C)O1	REAL300017239552	0	35	-2.0	-120.68	310.91	5.89	-114.79
O=C([O-])C1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C(Cl)C=C1F	REAL300017239553	0	32	-2.0	-94.00	310.62	5.91	-88.09
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300017239554	0	35	-2.0	-108.03	304.14	5.95	-102.08
CCC1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017239555	0	38	-2.0	-98.24	333.29	6.72	-91.52
CC1=CC(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)=CC=C1C(=O)[O-]	REAL300017239556	0	35	-2.0	-111.89	319.83	6.00	-105.89
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(Br)=C1	REAL300017239557	0	32	-2.0	-94.46	307.11	5.89	-88.57
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300017239558	0	35	-2.0	-111.14	329.95	6.17	-104.97
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)S1	REAL300017239710	1	32	-2.0	-92.62	311.37	1.33	-91.29
CC1=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017239711	0	32	-2.0	-96.52	301.54	5.22	-91.30
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(F)=C1	REAL300017240088	1	37	-2.0	-92.05	344.72	1.83	-90.22
CC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)C(F)=C1	REAL300017246016	1	34	-2.0	-144.85	307.09	5.69	-139.16
CC1(C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C(=O)[O-])CC1	REAL300017246021	1	31	-2.0	-128.06	303.16	4.70	-123.36
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)S1	REAL300017246026	1	34	-2.0	-108.01	326.67	0.67	-107.34
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C(C(=O)[O-])S1	REAL300017246028	0	34	-2.0	-100.85	320.10	4.87	-95.98
CC1(C([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C(=O)[O-])CC1	REAL300017246047	1	28	-2.0	-124.20	300.01	4.90	-119.30
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1(C)CC1	REAL300017246055	1	37	-2.0	-144.02	335.07	2.63	-141.39
CC1(C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C(=O)[O-])CC1	REAL300017246080	1	33	-2.0	-137.34	310.86	6.65	-130.69
CC1(C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C(=O)[O-])CC1	REAL300017246087	0	31	-2.0	-119.97	297.11	5.16	-114.81
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1(C)CC1	REAL300017246096	1	35	-2.0	-131.14	318.57	4.60	-126.54
CC1(C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C(=O)[O-])CC1	REAL300017246118	0	31	-2.0	-125.67	303.27	4.99	-120.68
CC1(C([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C(=O)[O-])CC1	REAL300017246128	1	31	-2.0	-123.57	307.18	6.09	-117.48
CC1(C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C(=O)[O-])CC1	REAL300017246132	0	31	-2.0	-131.08	290.94	5.09	-125.99
CC1(C([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C(=O)[O-])CC1	REAL300017246165	1	31	-2.0	-119.07	321.26	5.93	-113.14
CC1(C([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C(=O)[O-])CC1	REAL300017246172	0	31	-2.0	-120.26	313.43	4.85	-115.41
CC1(C([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C(=O)[O-])CC1	REAL300017246174	1	31	-2.0	-126.50	309.69	5.48	-121.02
CC1(C([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C(=O)[O-])CC1	REAL300017246175	1	31	-2.0	-125.34	295.38	4.94	-120.40
CC1(C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(=O)[O-])CC1	REAL300017246188	0	31	-2.0	-133.05	292.09	5.09	-127.96
CN1C=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)=C1Cl	REAL300017246203	1	31	-2.0	-134.05	298.48	3.69	-130.36
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)C(F)=C1Cl	REAL300017246210	0	38	-2.0	-143.07	351.79	4.50	-138.57
COC(=O)C1=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2(C)CC2)=C(Br)O1	REAL300017246216	1	34	-2.0	-114.00	340.24	3.52	-110.48
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=C1	REAL300017247004	1	37	-2.0	-107.78	342.19	1.96	-105.82
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)=N[N-]1	REAL300017247004	1	37	-2.0	-107.77	342.15	1.96	-105.81
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1(C)CC1	REAL300017247015	1	35	-2.0	-137.25	324.36	5.74	-131.51
CC1(C([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C(=O)[O-])CC1	REAL300017247022	1	28	-2.0	-115.72	306.10	4.22	-111.50
CC1(C(NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C(=O)[O-])CC1	REAL300017247081	0	41	-2.0	-122.18	356.61	6.71	-115.47
CC1(C([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)C(=O)[O-])CC1	REAL300017247085	1	38	-2.0	-135.48	345.07	5.83	-129.65
CCC1=C(S(=O)(=O)NC(C(=O)[O-])C2(C)CC2)C=C(C(=O)[O-])O1	REAL300017247093	0	37	-2.0	-99.92	335.70	4.81	-95.11
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC=CCC23CCOC3)=C1	REAL300017247186	0	40	-2.0	-112.00	334.43	5.11	-106.89
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC=CCC23CCOC3)=C1	REAL300017247188	0	38	-2.0	-107.41	311.33	3.14	-104.27
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC34COCC3(COC4)C2)=C1	REAL300017247274	0	41	-2.0	-115.25	353.16	2.66	-112.59
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC34COCC3(COC4)C2)=C1	REAL300017247276	0	39	-2.0	-104.83	328.31	0.70	-104.13
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCOC(C3=CC=CC=C3)CC2)=C1	REAL300017247335	0	43	-2.0	-107.33	362.21	5.87	-101.46
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2(C3CCCO3)CCC2)=C1	REAL300017247406	1	39	-2.0	-97.69	332.43	4.33	-93.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2(C3CCCO3)CCC2)=C(F)C(F)=C1F	REAL300017247426	1	39	-2.0	-94.77	336.84	4.36	-90.41
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(C3CCCO3)CCC2)=C1	REAL300017247430	0	42	-2.0	-117.41	343.33	5.12	-112.29
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2(C3CCCO3)CCC2)=C1	REAL300017247432	0	40	-2.0	-105.70	318.26	2.10	-103.60
CC1=NC(N2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)CC2)=NO1	REAL300017247516	0	41	-2.0	-115.46	368.23	4.11	-111.35
CC1=NC(N2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])CC2)=NO1	REAL300017247518	0	39	-2.0	-110.38	340.95	2.21	-108.17
CO[C@@H]1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)CC[C@H]1C	REAL300017247624	0	41	-2.0	-108.28	354.63	5.30	-102.98
CO[C@@H]1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])CC[C@H]1C	REAL300017247626	0	39	-2.0	-105.54	328.68	3.36	-102.18
CCN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(=O)[O-]	REAL300017247636	0	35	-2.0	-107.36	317.54	0.44	-106.92
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017247637	0	40	-2.0	-109.39	336.85	1.92	-107.47
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C(=O)[O-]	REAL300017247638	0	41	-2.0	-112.52	346.59	3.04	-109.48
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C(=O)[O-]	REAL300017247639	0	38	-2.0	-112.52	332.83	2.19	-110.33
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(=O)[O-]	REAL300017247641	0	31	-2.0	-103.98	304.04	0.95	-103.03
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017247642	0	31	-2.0	-95.31	302.30	0.70	-94.61
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017247643	0	31	-2.0	-98.28	288.78	0.22	-98.06
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(=O)[O-]	REAL300017247644	0	34	-2.0	-110.46	304.75	0.75	-109.71
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(=O)[O-]	REAL300017247645	0	31	-2.0	-94.24	289.79	0.31	-93.93
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1C	REAL300017247646	0	37	-2.0	-113.19	324.29	1.72	-111.47
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(=O)[O-]	REAL300017247647	0	31	-2.0	-107.91	308.26	0.79	-107.12
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017247648	0	34	-2.0	-111.03	304.56	1.17	-109.86
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(=O)[O-]	REAL300017247649	0	28	-2.0	-94.95	283.64	-0.64	-95.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017247650	0	37	-2.0	-123.41	321.96	2.57	-120.84
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017247651	0	32	-2.0	-97.43	296.11	-0.42	-97.85
CC1=C(C(=O)[O-])SC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C1	REAL300017247652	0	31	-2.0	-107.27	302.46	0.54	-106.73
CC1=C(C(=O)[O-])C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=C(C)O1	REAL300017247653	0	34	-2.0	-127.38	303.65	0.69	-126.69
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C(=O)[O-]	REAL300017247654	0	31	-2.0	-101.31	307.52	0.88	-100.43
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017247655	0	34	-2.0	-95.51	298.85	1.02	-94.49
CCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C1C(=O)[O-]	REAL300017247656	0	37	-2.0	-110.96	323.07	1.40	-109.56
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)=CC=C1C(=O)[O-]	REAL300017247657	0	34	-2.0	-94.35	308.77	0.86	-93.49
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)C(=O)[O-]	REAL300017247658	0	31	-2.0	-90.31	306.36	1.01	-89.30
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017247659	0	34	-2.0	-102.22	322.96	1.62	-100.60
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300017247665	1	34	-2.0	-131.85	299.24	-1.16	-133.01
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300017247687	1	31	-2.0	-123.31	293.66	-1.08	-124.39
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017247689	1	30	-2.0	-121.58	296.13	2.20	-119.38
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300017247715	1	28	-2.0	-117.68	270.31	0.20	-117.48
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017247755	1	31	-2.0	-131.68	295.21	0.52	-131.16
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300017247756	1	31	-2.0	-138.99	308.51	2.64	-136.35
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(F)=C1	REAL300017247757	1	42	-2.0	-94.88	381.32	-1.64	-96.52
CC1=CC(F)=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)C(F)=C1	REAL300017247789	1	31	-2.0	-135.59	282.19	0.96	-134.63
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017247794	1	28	-2.0	-128.70	277.25	0.63	-128.07
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)S1	REAL300017247799	1	31	-2.0	-92.93	302.78	-3.95	-96.88
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C=C(C(=O)[O-])S1	REAL300017247800	0	31	-2.0	-119.66	300.18	0.08	-119.58
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017247818	1	25	-2.0	-119.48	277.86	0.22	-119.26
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O	REAL300017247826	1	34	-2.0	-140.50	305.14	-1.66	-142.16
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017247848	1	30	-2.0	-129.71	290.09	2.15	-127.56
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300017247854	0	28	-2.0	-112.54	279.51	0.48	-112.06
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O	REAL300017247864	1	32	-2.0	-129.50	292.66	0.34	-129.16
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017247881	0	28	-2.0	-133.29	278.37	1.47	-131.82
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017247892	1	28	-2.0	-117.12	285.03	1.40	-115.72
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017247896	0	28	-2.0	-125.02	276.10	0.45	-124.57
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017247928	1	28	-2.0	-127.63	299.36	1.84	-125.79
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017247934	0	28	-2.0	-118.04	284.73	0.74	-117.30
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017247936	1	28	-2.0	-128.26	291.50	0.77	-127.49
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017247937	1	28	-2.0	-118.42	273.19	0.24	-118.18
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017247947	0	28	-2.0	-126.06	269.93	0.39	-125.67
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)C(F)=C1Cl	REAL300017247967	0	35	-2.0	-134.63	333.09	-0.15	-134.78
COC(=O)C1=CC(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)=C(Br)O1	REAL300017247973	1	31	-2.0	-126.75	318.32	-0.53	-127.28
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017248004	1	29	-2.0	-115.46	298.21	0.97	-114.49
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)=C1F	REAL300017248008	1	34	-2.0	-126.38	327.39	1.20	-125.18
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300017248024	1	32	-2.0	-116.44	308.47	-2.52	-118.96
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)O1	REAL300017248031	1	34	-2.0	-118.88	309.70	-0.60	-119.48
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)=C1F	REAL300017248048	1	34	-2.0	-136.10	323.82	0.78	-135.32
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300017248094	1	28	-2.0	-124.50	292.61	1.52	-122.98
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)O1	REAL300017248124	1	31	-2.0	-119.04	294.57	-1.14	-120.18
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017248125	0	30	-2.0	-142.85	277.86	1.53	-141.32
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017248128	1	28	-2.0	-137.02	275.66	1.55	-135.47
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017248136	0	30	-2.0	-132.42	302.81	3.33	-129.09
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)O1	REAL300017248149	1	34	-2.0	-119.25	316.43	-0.21	-119.46
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017248153	1	31	-2.0	-129.52	293.45	2.15	-127.37
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017248154	1	30	-2.0	-127.36	297.40	2.29	-125.07
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017248157	1	25	-2.0	-124.20	264.59	-0.40	-124.60
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017248162	1	27	-2.0	-117.92	284.63	-0.63	-118.55
CCN1C=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)C([N+](=O)[O-])=N1	REAL300017248166	1	33	-2.0	-127.09	302.58	0.91	-126.18
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017248167	1	30	-2.0	-130.91	285.67	1.43	-129.48
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017248170	1	30	-2.0	-129.70	294.66	2.25	-127.45
C[C@@H](O)[C@@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017248172	1	36	-2.0	-103.08	341.95	-3.41	-106.49
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017248191	1	30	-2.0	-136.34	283.58	1.98	-134.36
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)C(=O)NC1=O	REAL300017248213	1	46	-2.0	-123.07	388.50	0.77	-122.30
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017248219	1	25	-2.0	-119.49	259.41	-1.21	-120.70
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017248221	1	25	-2.0	-119.39	282.49	0.32	-119.07
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017248236	0	29	-2.0	-122.97	281.57	0.68	-122.29
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	REAL300017248252	0	43	-2.0	-103.17	382.32	-3.02	-106.19
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017248254	1	27	-2.0	-115.63	280.44	-0.74	-116.37
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300017248278	1	28	-2.0	-120.33	296.59	1.19	-119.14
C[C@@H](O)[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017248281	1	28	-2.0	-117.30	290.17	1.18	-116.12
CN(C1(C(=O)[O-])COC1)S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017273034	1	37	-2.0	-104.18	334.48	-0.46	-104.64
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300017276002	1	36	-2.0	-116.26	326.89	2.99	-113.27
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017276004	1	35	-2.0	-112.08	335.31	6.22	-105.86
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017276032	1	33	-2.0	-114.95	302.29	4.69	-110.26
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300017276037	0	33	-2.0	-127.38	296.79	4.34	-123.04
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300017276060	1	33	-2.0	-122.33	295.34	4.62	-117.71
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017276075	1	36	-2.0	-119.29	319.85	4.93	-114.36
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017276076	1	36	-2.0	-126.41	334.97	6.52	-119.89
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300017276083	1	30	-2.0	-120.45	291.65	3.94	-116.51
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F	REAL300017276109	1	36	-2.0	-126.23	317.93	5.07	-121.16
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017276115	1	33	-2.0	-121.92	305.67	5.07	-116.85
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300017276120	1	36	-2.0	-108.62	324.63	0.83	-107.79
CCC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300017276122	0	36	-2.0	-114.86	317.98	5.20	-109.66
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017276141	1	30	-2.0	-114.57	307.09	4.62	-109.95
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NNC=C1C(=O)OCC	REAL300017276149	1	39	-2.0	-139.09	336.37	3.04	-136.05
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017276174	1	35	-2.0	-128.32	312.15	6.19	-122.13
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017276181	0	33	-2.0	-112.17	311.45	4.97	-107.20
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC	REAL300017276190	1	37	-2.0	-122.88	321.35	4.88	-118.00
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017276211	0	33	-2.0	-119.74	305.92	5.33	-114.41
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017276221	1	33	-2.0	-109.82	318.02	5.49	-104.33
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017276225	0	33	-2.0	-120.03	304.46	4.91	-115.12
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017276258	1	33	-2.0	-110.84	328.35	5.92	-104.92
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017276265	0	33	-2.0	-116.68	316.70	5.23	-111.45
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017276267	1	33	-2.0	-109.73	320.71	4.87	-104.86
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017276268	1	33	-2.0	-108.89	306.40	4.32	-104.57
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017276281	0	33	-2.0	-115.99	302.93	4.46	-111.53
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300017276296	1	33	-2.0	-132.64	300.93	4.05	-128.59
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F	REAL300017276303	0	40	-2.0	-123.48	365.56	3.92	-119.56
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1	REAL300017276309	1	36	-2.0	-113.98	342.81	3.89	-110.09
O=C([O-])C1=CSC(C2CCCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)C2)=N1	REAL300017285017	0	39	-2.0	-104.71	363.98	4.29	-100.42
CCN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017285155	0	35	-2.0	-105.68	313.84	5.17	-100.51
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285156	0	40	-2.0	-118.30	333.04	6.86	-111.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017285157	0	41	-2.0	-138.99	323.50	7.40	-131.59
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017285158	0	38	-2.0	-139.63	312.50	6.87	-132.76
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017285160	0	31	-2.0	-114.63	299.23	5.80	-108.83
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017285161	0	31	-2.0	-103.06	297.20	5.38	-97.68
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017285162	0	34	-2.0	-106.10	300.74	5.54	-100.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300017285163	0	37	-2.0	-125.01	319.55	6.49	-118.52
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017285164	0	31	-2.0	-98.25	304.96	5.22	-93.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285165	0	34	-2.0	-116.20	297.14	5.76	-110.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017285166	0	28	-2.0	-116.05	283.58	4.29	-111.76
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285167	0	37	-2.0	-123.27	319.25	6.86	-116.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017285168	0	32	-2.0	-101.39	292.42	4.28	-97.11
CC1=C(C(=O)[O-])SC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300017285169	0	31	-2.0	-101.68	299.50	4.95	-96.73
CC1=C(C(=O)[O-])C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(C)O1	REAL300017285170	0	34	-2.0	-109.37	299.99	5.50	-103.87
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017285171	0	31	-2.0	-113.50	303.74	5.82	-107.68
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300017285172	0	34	-2.0	-98.60	289.80	5.26	-93.34
CCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017285173	0	37	-2.0	-106.34	319.16	6.20	-100.14
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1C(=O)[O-]	REAL300017285174	0	34	-2.0	-94.76	300.69	5.54	-89.22
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017285175	0	31	-2.0	-101.91	298.94	5.75	-96.16
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017285176	0	34	-2.0	-92.40	314.84	5.79	-86.61
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300017285265	1	42	-2.0	-107.99	375.24	3.08	-104.91
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300017285305	1	31	-2.0	-107.33	302.13	1.09	-106.24
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C(C(=O)[O-])S1	REAL300017285306	0	31	-2.0	-115.69	288.96	4.87	-110.82
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC3(COC3)C2)=C1	REAL300017294077	0	39	-2.0	-108.19	338.49	4.55	-103.64
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC3(COC3)C2)=C1	REAL300017294079	0	37	-2.0	-112.36	311.20	2.65	-109.71
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCC2=C3NC(=O)COC3=CC=C2)=C1	REAL300017294139	0	38	-2.0	-112.30	340.66	1.00	-111.30
CN1C=C(CN(C2CC2)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)N=N1	REAL300017294225	0	40	-2.0	-130.92	357.97	5.29	-125.63
CN1C=C(CN(C2CC2)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])N=N1	REAL300017294227	0	38	-2.0	-127.66	334.08	3.29	-124.37
COC(=O)C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017294292	1	40	-2.0	-96.32	356.73	5.29	-91.03
COC(=O)C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017294309	1	40	-2.0	-93.68	361.22	5.31	-88.37
COC(=O)C[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017294312	0	43	-2.0	-109.81	382.21	5.91	-103.90
COC(=O)C[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017294314	0	41	-2.0	-104.18	345.76	4.02	-100.16
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(CC(F)F)CCC2)=C1	REAL300017294399	1	37	-2.0	-91.50	339.90	5.24	-86.26
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2(CC(F)F)CCC2)=C(F)C(F)=C1F	REAL300017294419	0	37	-2.0	-96.18	341.96	5.22	-90.96
O=C([O-])C1=CC(S(=O)(=O)NCC2(CC(F)F)CCC2)=CC(C(=O)[O-])=C1	REAL300017294422	0	40	-2.0	-113.49	355.80	6.16	-107.33
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCC2(CC(F)F)CCC2)=C1	REAL300017294424	0	38	-2.0	-103.73	326.19	4.07	-99.66
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2(CC(F)F)CCC2)=C(Cl)O1	REAL300017294428	1	34	-2.0	-91.07	328.27	4.09	-86.98
O=C([O-])C1=C(F)C=CC(S(=O)(=O)[N-]CC2(CC(F)F)CCC2)=C1F	REAL300017294429	1	37	-2.0	-102.78	336.31	5.17	-97.61
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017294433	0	35	-2.0	-111.35	322.60	4.50	-106.85
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294434	0	40	-2.0	-118.82	341.17	6.17	-112.65
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294435	0	41	-2.0	-113.88	343.66	6.78	-107.10
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294436	0	38	-2.0	-121.18	334.41	6.11	-115.07
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294438	0	31	-2.0	-105.05	304.24	4.85	-100.20
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Cl	REAL300017294439	0	31	-2.0	-114.87	307.09	4.68	-110.19
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017294440	0	34	-2.0	-115.71	306.33	4.71	-111.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1C	REAL300017294441	0	37	-2.0	-120.67	323.63	5.64	-115.03
O=C([O-])CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017294442	0	31	-2.0	-104.17	303.52	4.07	-100.10
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294443	0	34	-2.0	-110.33	305.22	5.10	-105.23
O=C([O-])C1=CSC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294444	0	28	-2.0	-98.62	282.02	3.15	-95.47
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294445	0	37	-2.0	-119.74	323.46	5.96	-113.78
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017294446	0	32	-2.0	-101.56	297.73	3.51	-98.05
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300017294447	0	31	-2.0	-103.59	299.91	3.85	-99.74
CC1=C(C(=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(C)O1	REAL300017294448	0	34	-2.0	-135.44	302.03	4.48	-130.96
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(Cl)C=C1F	REAL300017294449	0	31	-2.0	-106.86	310.58	4.82	-102.04
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017294450	0	34	-2.0	-111.86	300.59	4.97	-106.89
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017294451	0	37	-2.0	-119.34	328.90	5.47	-113.87
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1C(=O)[O-]	REAL300017294452	0	34	-2.0	-105.09	310.60	4.82	-100.27
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(Br)=C1	REAL300017294453	0	31	-2.0	-95.72	307.93	4.93	-90.79
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300017294454	0	34	-2.0	-102.13	320.42	4.99	-97.14
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C(=O)N(C)C1=O	REAL300017294460	1	34	-2.0	-132.69	305.19	3.01	-129.68
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300017294478	1	31	-2.0	-131.98	296.53	2.77	-129.21
O=C([O-])C([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C1CC1	REAL300017294479	1	30	-2.0	-127.52	298.88	5.98	-121.54
O=C([O-])C([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C1CC1	REAL300017294502	1	28	-2.0	-124.55	280.42	3.55	-121.00
O=C([O-])C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC1	REAL300017294541	1	31	-2.0	-129.87	291.31	4.43	-125.44
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C1CC1	REAL300017294542	1	31	-2.0	-131.11	313.65	5.43	-125.68
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(F)=C1	REAL300017294543	1	42	-2.0	-106.57	376.88	2.11	-104.46
CC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C(F)=C1	REAL300017294573	1	31	-2.0	-144.56	288.50	4.93	-139.63
O=C([O-])C([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C1CC1	REAL300017294578	1	28	-2.0	-128.82	284.59	3.94	-124.88
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300017294583	1	31	-2.0	-98.17	302.24	-0.07	-98.24
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C(C(=O)[O-])S1	REAL300017294584	0	31	-2.0	-114.05	298.29	4.11	-109.94
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C1CC1	REAL300017294601	1	25	-2.0	-123.97	281.47	4.14	-119.83
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1CC1	REAL300017294608	1	34	-2.0	-152.53	309.28	2.24	-150.29
O=C([O-])C([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C1CC1	REAL300017294631	1	30	-2.0	-138.31	292.99	5.93	-132.38
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C1CC1	REAL300017294637	0	28	-2.0	-120.80	285.83	4.46	-116.34
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1CC1	REAL300017294646	1	32	-2.0	-131.94	300.03	3.84	-128.10
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C1CC1	REAL300017294662	0	28	-2.0	-131.15	284.71	4.23	-126.92
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C1CC1	REAL300017294673	1	28	-2.0	-123.90	285.17	5.30	-118.60
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C1CC1	REAL300017294677	0	28	-2.0	-130.15	272.37	4.34	-125.81
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C1CC1	REAL300017294708	1	28	-2.0	-123.10	291.64	5.71	-117.39
O=C([O-])C([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C1CC1	REAL300017294714	0	28	-2.0	-126.58	291.11	4.73	-121.85
O=C([O-])C([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C1CC1	REAL300017294716	1	28	-2.0	-119.53	294.69	4.10	-115.43
O=C([O-])C([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C1CC1	REAL300017294717	1	28	-2.0	-118.33	280.39	3.55	-114.78
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C1CC1	REAL300017294726	0	28	-2.0	-131.30	266.21	4.28	-127.02
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C(F)=C1Cl	REAL300017294747	0	35	-2.0	-133.33	339.58	3.16	-130.17
COC(=O)C1=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=C(Br)O1	REAL300017294753	1	31	-2.0	-124.47	314.41	3.36	-121.11
N#CC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C(F)=C1	REAL300017295010	0	29	-2.0	-129.96	280.59	4.60	-125.36
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300017295026	0	43	-2.0	-121.65	382.54	0.82	-120.83
O=C([O-])C([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C1CC1	REAL300017295028	1	27	-2.0	-119.69	284.06	3.17	-116.52
O=C([O-])C([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C1CC1	REAL300017295050	1	28	-2.0	-127.75	300.23	5.14	-122.61
O=C([O-])C([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C1CC1	REAL300017295053	1	28	-2.0	-119.76	297.56	4.50	-115.26
CCC1=C(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300017308009	0	35	-2.0	-96.15	312.57	3.63	-92.52
CCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017308015	0	40	-2.0	-117.62	334.05	5.04	-112.58
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308016	0	45	-2.0	-106.95	351.96	6.57	-100.38
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017308017	0	46	-2.0	-107.57	362.50	7.04	-100.53
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017308018	0	43	-2.0	-108.97	345.03	6.82	-102.15
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017308020	0	36	-2.0	-108.31	307.02	5.08	-103.23
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017308021	0	36	-2.0	-105.07	316.53	5.32	-99.75
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017308022	0	36	-2.0	-115.76	311.12	4.54	-111.22
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017308023	0	39	-2.0	-108.44	320.96	5.31	-103.13
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017308024	0	36	-2.0	-105.75	311.26	4.62	-101.13
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1C	REAL300017308025	0	42	-2.0	-107.19	335.23	6.17	-101.02
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017308026	0	36	-2.0	-97.90	326.47	4.55	-93.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308027	0	39	-2.0	-105.31	317.43	5.75	-99.56
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017308028	0	33	-2.0	-112.22	297.99	4.04	-108.18
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308029	0	42	-2.0	-106.11	335.60	6.59	-99.52
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017308030	0	37	-2.0	-115.61	318.60	3.97	-111.64
CC1=C(C(=O)[O-])SC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C1	REAL300017308031	0	36	-2.0	-105.03	320.67	4.29	-100.74
CC1=C(C(=O)[O-])C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=C(C)O1	REAL300017308032	0	39	-2.0	-112.33	325.23	4.97	-107.36
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017308033	0	36	-2.0	-107.98	311.63	5.10	-102.88
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C	REAL300017308034	0	39	-2.0	-116.65	313.06	5.50	-111.15
CCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C1C(=O)[O-]	REAL300017308035	0	42	-2.0	-108.00	345.31	5.73	-102.27
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)=CC=C1C(=O)[O-]	REAL300017308036	0	39	-2.0	-107.19	320.16	5.49	-101.70
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017308037	0	36	-2.0	-101.80	324.87	5.23	-96.57
CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017308038	0	39	-2.0	-102.58	341.20	5.33	-97.25
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300017308045	1	39	-2.0	-135.20	325.44	3.24	-131.96
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300017308074	1	36	-2.0	-117.78	314.29	2.95	-114.83
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017308076	1	35	-2.0	-115.32	319.16	6.35	-108.97
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017308104	1	33	-2.0	-121.53	297.56	5.09	-116.44
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300017308109	0	33	-2.0	-134.86	288.73	5.13	-129.73
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300017308132	1	33	-2.0	-124.93	289.68	4.36	-120.57
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017308147	1	36	-2.0	-120.46	318.31	4.41	-116.05
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017308148	1	36	-2.0	-125.21	334.65	5.95	-119.26
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300017308155	1	30	-2.0	-123.18	286.84	3.75	-119.43
CC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300017308181	1	36	-2.0	-129.79	312.05	4.90	-124.89
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017308187	1	33	-2.0	-124.41	300.01	4.81	-119.60
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)S1	REAL300017308192	1	36	-2.0	-106.71	325.18	0.46	-106.25
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)C=C(C(=O)[O-])S1	REAL300017308194	0	36	-2.0	-103.52	317.29	4.39	-99.13
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017308213	1	30	-2.0	-114.97	298.42	4.33	-110.64
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C	REAL300017308221	1	39	-2.0	-138.64	338.76	2.56	-136.08
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017308246	1	35	-2.0	-124.73	314.39	6.13	-118.60
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017308253	0	33	-2.0	-108.66	309.37	4.43	-104.23
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C	REAL300017308262	1	37	-2.0	-124.95	319.77	4.38	-120.57
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017308283	0	33	-2.0	-118.92	305.55	4.82	-114.10
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017308293	1	33	-2.0	-112.50	315.41	5.34	-107.16
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017308297	0	33	-2.0	-121.93	300.84	5.29	-116.64
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017308330	1	33	-2.0	-113.80	325.73	5.77	-108.03
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017308337	0	33	-2.0	-116.37	311.97	5.64	-110.73
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017308339	1	33	-2.0	-113.86	314.60	4.67	-109.19
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017308340	1	33	-2.0	-113.44	295.86	4.45	-108.99
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017308353	0	33	-2.0	-121.94	300.86	4.29	-117.65
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300017308368	1	33	-2.0	-131.87	298.30	4.40	-127.47
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)C(F)=C1Cl	REAL300017308375	0	40	-2.0	-126.12	359.02	3.86	-122.26
COC(=O)C1=CC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)=C(Br)O1	REAL300017308381	1	36	-2.0	-107.76	341.47	3.34	-104.42
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300017329019	1	36	-2.0	-117.48	318.13	2.85	-114.63
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017329021	1	35	-2.0	-118.64	312.48	6.42	-112.22
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017329049	1	33	-2.0	-113.24	300.95	4.13	-109.11
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300017329054	0	33	-2.0	-130.17	289.17	4.31	-125.86
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300017329077	1	33	-2.0	-125.03	290.62	4.38	-120.65
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017329092	1	36	-2.0	-123.42	314.92	4.72	-118.70
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017329093	1	36	-2.0	-127.18	336.70	6.11	-121.07
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300017329100	1	30	-2.0	-123.96	287.66	4.40	-119.56
CC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300017329126	1	36	-2.0	-130.24	313.13	4.91	-125.33
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017329132	1	33	-2.0	-120.52	302.90	4.61	-115.91
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)S1	REAL300017329137	1	36	-2.0	-98.05	313.06	0.97	-97.08
CC1=C(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)C=C(C(=O)[O-])S1	REAL300017329139	0	36	-2.0	-106.15	311.15	4.69	-101.46
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017329158	1	30	-2.0	-112.34	301.56	4.13	-108.21
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C	REAL300017329166	1	39	-2.0	-137.11	334.81	2.55	-134.56
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017329191	1	35	-2.0	-119.99	320.10	5.91	-114.08
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017329198	0	33	-2.0	-112.09	306.12	4.73	-107.36
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C	REAL300017329207	1	37	-2.0	-121.97	318.35	4.51	-117.46
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017329228	0	33	-2.0	-121.02	307.48	4.81	-116.21
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017329238	1	33	-2.0	-111.59	312.97	5.34	-106.25
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017329242	0	33	-2.0	-118.47	304.85	4.31	-114.16
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017329275	1	33	-2.0	-112.89	323.31	5.76	-107.13
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017329282	0	33	-2.0	-116.61	317.93	4.80	-111.81
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017329284	1	33	-2.0	-115.49	317.68	4.69	-110.80
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017329285	1	33	-2.0	-115.19	303.60	4.25	-110.94
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017329298	0	33	-2.0	-119.38	297.84	4.28	-115.10
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300017329313	1	33	-2.0	-131.05	298.14	3.59	-127.46
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)C(F)=C1Cl	REAL300017329320	0	40	-2.0	-131.74	363.27	3.79	-127.95
COC(=O)C1=CC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)=C(Br)O1	REAL300017329326	1	36	-2.0	-110.55	338.28	3.67	-106.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@H]2CCCCNC2=O)=C1	REAL300017331104	1	35	-2.0	-95.18	304.37	1.91	-93.27
O=C([O-])C1=CC(S(=O)(=O)[N-][C@H]2CCCCNC2=O)=C(F)C(F)=C1F	REAL300017331126	1	35	-2.0	-92.69	308.68	1.93	-90.76
O=C([O-])C1=CC(S(=O)(=O)N[C@H]2CCCCNC2=O)=CC(C(=O)[O-])=C1	REAL300017331130	0	38	-2.0	-117.58	337.70	1.96	-115.62
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N[C@H]2CCCCNC2=O)=C1	REAL300017331132	0	36	-2.0	-113.00	292.62	1.75	-111.25
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@H]2CCC3=C(Cl)C=CC=C32)=C1	REAL300017331189	1	35	-2.0	-94.90	344.00	6.52	-88.38
O=C([O-])C1=CC(S(=O)(=O)N[C@H]2CCC3=C(Cl)C=CC=C32)=CC(C(=O)[O-])=C1	REAL300017331202	0	38	-2.0	-108.05	362.56	7.19	-100.86
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N[C@H]2CCC3=C(Cl)C=CC=C32)=C1	REAL300017331204	0	36	-2.0	-105.44	329.07	5.48	-99.96
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@@H]2CCC3=C(Cl)C=CC=C32)=C1	REAL300017331260	1	35	-2.0	-94.92	344.00	6.52	-88.40
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2CCC3=C(Cl)C=CC=C32)=CC(C(=O)[O-])=C1	REAL300017331273	0	38	-2.0	-107.96	357.76	7.30	-100.66
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N[C@@H]2CCC3=C(Cl)C=CC=C32)=C1	REAL300017331275	0	36	-2.0	-104.76	327.65	5.79	-98.97
CC1=NN(CCO)C=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017331361	0	41	-2.0	-111.60	379.23	1.47	-110.13
CC1=NN(CCO)C=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017331363	0	39	-2.0	-106.28	349.23	-0.47	-106.75
CC1=NN(CCO)C=C1C[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017331367	1	35	-2.0	-96.12	349.66	-0.48	-96.60
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300017331514	0	40	-2.0	-104.54	336.28	5.42	-99.12
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300017331515	0	45	-2.0	-123.49	363.02	7.10	-116.39
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017331516	0	46	-2.0	-125.86	365.83	7.76	-118.10
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017331517	0	43	-2.0	-125.85	352.92	7.06	-118.79
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017331519	0	36	-2.0	-100.44	321.72	5.60	-94.84
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017331520	0	36	-2.0	-112.49	320.51	5.69	-106.80
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017331521	0	36	-2.0	-104.86	307.68	5.28	-99.58
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300017331522	0	39	-2.0	-115.00	322.51	5.78	-109.22
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017331523	0	36	-2.0	-99.83	321.48	4.89	-94.94
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300017331524	0	42	-2.0	-124.21	341.12	6.42	-117.79
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017331525	0	36	-2.0	-105.15	322.00	5.30	-99.85
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300017331526	0	39	-2.0	-121.44	324.46	5.99	-115.45
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017331527	0	33	-2.0	-95.92	315.33	3.93	-91.99
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300017331528	0	42	-2.0	-125.54	346.40	6.39	-119.15
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017331529	0	37	-2.0	-103.74	314.94	4.57	-99.17
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300017331530	0	36	-2.0	-104.82	331.08	4.59	-100.23
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-]	REAL300017331531	0	39	-2.0	-129.38	319.22	5.30	-124.08
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017331532	0	36	-2.0	-100.32	314.43	5.58	-94.74
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300017331533	0	39	-2.0	-107.11	321.81	5.40	-101.71
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300017331534	0	42	-2.0	-116.73	342.32	6.50	-110.23
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300017331535	0	39	-2.0	-99.07	324.20	5.85	-93.22
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017331536	0	36	-2.0	-108.12	324.97	5.87	-102.25
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017331537	0	39	-2.0	-98.61	338.10	6.08	-92.53
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300017331544	1	39	-2.0	-120.12	331.72	3.42	-116.70
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300017331573	1	36	-2.0	-125.53	323.05	3.30	-122.23
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017331575	1	35	-2.0	-111.62	328.04	6.27	-105.35
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017331603	1	33	-2.0	-111.31	306.37	4.32	-106.99
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300017331608	0	33	-2.0	-132.51	292.70	4.73	-127.78
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300017331631	1	33	-2.0	-124.80	296.48	4.58	-120.22
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017331646	1	36	-2.0	-123.04	320.93	4.91	-118.13
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017331647	1	36	-2.0	-127.55	335.89	6.52	-121.03
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300017331654	1	30	-2.0	-122.12	292.74	3.92	-118.20
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F	REAL300017331680	1	36	-2.0	-132.25	314.50	5.42	-126.83
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017331686	1	33	-2.0	-125.29	306.80	5.04	-120.25
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300017331691	1	36	-2.0	-96.85	335.53	0.72	-96.13
CCC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300017331693	0	36	-2.0	-120.23	318.44	5.02	-115.21
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017331712	1	30	-2.0	-109.47	310.57	4.32	-105.15
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NNC=C1C(=O)OCC	REAL300017331720	1	39	-2.0	-140.20	338.90	2.91	-137.29
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017331745	1	35	-2.0	-121.35	324.41	6.17	-115.18
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017331752	0	33	-2.0	-110.69	311.83	4.95	-105.74
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC	REAL300017331761	1	37	-2.0	-128.43	322.43	4.88	-123.55
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017331782	0	33	-2.0	-128.16	307.09	5.31	-122.85
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017331792	1	33	-2.0	-113.79	314.78	5.84	-107.95
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017331796	0	33	-2.0	-114.59	308.81	4.58	-110.01
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017331829	1	33	-2.0	-115.06	325.11	6.27	-108.79
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017331836	0	33	-2.0	-110.06	320.78	4.86	-105.20
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017331838	1	33	-2.0	-116.80	317.11	5.18	-111.62
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017331839	1	33	-2.0	-115.48	302.80	4.64	-110.84
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017331852	0	33	-2.0	-122.04	299.66	4.79	-117.25
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300017331867	1	33	-2.0	-132.47	302.99	3.98	-128.49
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F	REAL300017331874	0	40	-2.0	-129.56	362.46	4.20	-125.36
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1	REAL300017331880	1	36	-2.0	-108.03	347.08	3.57	-104.46
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C1CC1	REAL300017361004	0	31	-2.0	-121.76	297.21	4.73	-117.03
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C1CC1	REAL300017361037	1	31	-2.0	-116.67	316.20	6.12	-110.55
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C1CC1	REAL300017361044	0	31	-2.0	-117.21	308.63	5.05	-112.16
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C1CC1	REAL300017361046	1	31	-2.0	-115.69	308.37	5.05	-110.64
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C1CC1	REAL300017361047	1	31	-2.0	-114.34	294.06	4.51	-109.83
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C1CC1	REAL300017361060	0	31	-2.0	-123.58	290.80	4.64	-118.94
CN1C=NC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)=C1Cl	REAL300017361075	1	31	-2.0	-128.89	293.38	3.89	-125.00
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)C(F)=C1Cl	REAL300017361082	0	38	-2.0	-132.07	353.91	4.13	-127.94
COC(=O)C1=CC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)=C(Br)O1	REAL300017361088	1	34	-2.0	-108.93	335.27	3.72	-105.21
CN1C=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300017362015	1	31	-2.0	-119.15	299.11	1.99	-117.16
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017362016	1	30	-2.0	-116.05	304.14	5.35	-110.70
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017362039	1	28	-2.0	-115.48	277.63	3.31	-112.17
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017362078	1	31	-2.0	-116.59	296.68	3.61	-112.98
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017362079	1	31	-2.0	-124.95	314.21	5.04	-119.91
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C(F)=C1	REAL300017362080	1	42	-2.0	-102.01	373.91	1.78	-100.23
CC1=CC(F)=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])C(F)=C1	REAL300017362110	1	31	-2.0	-129.70	289.47	4.09	-125.61
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017362115	1	28	-2.0	-121.66	282.72	3.72	-117.94
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])S1	REAL300017362120	1	31	-2.0	-102.72	304.23	-0.10	-102.82
CC1=C(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017362121	0	31	-2.0	-118.74	299.91	4.05	-114.69
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017362138	1	25	-2.0	-112.75	283.36	3.31	-109.44
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362145	1	34	-2.0	-137.31	314.64	1.65	-135.66
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017362168	1	30	-2.0	-125.60	298.33	5.31	-120.29
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017362174	0	28	-2.0	-108.27	287.73	3.62	-104.65
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C[C@@H]1C[C@@H]1C(=O)[O-]	REAL300017362183	1	32	-2.0	-123.81	298.16	3.62	-120.19
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017362199	0	28	-2.0	-122.26	282.85	4.01	-118.25
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017362210	1	28	-2.0	-112.94	290.54	4.53	-108.41
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017362214	0	28	-2.0	-118.18	281.57	3.56	-114.62
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017362245	1	28	-2.0	-113.91	300.88	4.96	-108.95
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017362251	0	28	-2.0	-113.36	292.04	3.85	-109.51
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017362253	1	28	-2.0	-113.33	292.02	3.85	-109.48
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017362254	1	28	-2.0	-112.55	277.71	3.31	-109.24
O=C([O-])[C@H]1C[C@H]1C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017362263	0	28	-2.0	-119.38	275.44	3.49	-115.89
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])C(F)=C1Cl	REAL300017362284	0	35	-2.0	-126.57	338.63	2.95	-123.62
COC(=O)C1=CC(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])=C(Br)O1	REAL300017362290	1	31	-2.0	-110.46	319.85	2.55	-107.91
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@@H]2C[C@H]2C2=CC=CC=C2)=C1	REAL300017412019	0	41	-2.0	-109.70	372.03	7.76	-101.94
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC[C@@H]2C[C@H]2C2=CC=CC=C2)=C1	REAL300017412021	0	39	-2.0	-105.86	342.06	5.82	-100.04
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017412039	1	30	-2.0	-95.84	314.84	2.62	-93.22
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017412041	1	27	-2.0	-98.91	293.44	1.69	-97.22
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017412046	1	30	-2.0	-97.31	317.85	3.28	-94.03
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300017412068	1	30	-2.0	-94.09	327.94	3.50	-90.59
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300017412069	1	30	-2.0	-94.23	328.48	3.70	-90.53
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300017412077	1	30	-2.0	-92.61	318.62	3.09	-89.52
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F	REAL300017412078	1	33	-2.0	-102.59	326.02	3.37	-99.22
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300017412079	1	30	-2.0	-96.05	325.83	3.63	-92.42
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300017412084	1	30	-2.0	-101.17	305.73	2.72	-98.45
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017412089	1	30	-2.0	-91.64	305.72	2.72	-88.92
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F	REAL300017412091	1	33	-2.0	-108.89	325.29	3.35	-105.54
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017412093	0	30	-2.0	-93.15	312.01	2.79	-90.36
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F	REAL300017412098	1	33	-2.0	-102.27	321.73	3.26	-99.01
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017412103	1	32	-2.0	-90.29	318.72	4.26	-86.03
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017412108	1	32	-2.0	-110.98	324.00	4.55	-106.43
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017412113	0	30	-2.0	-90.56	316.42	2.81	-87.75
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017412116	1	30	-2.0	-108.04	303.92	2.70	-105.34
COC(=O)C(F)(F)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017412117	0	33	-2.0	-107.82	330.57	3.60	-104.22
COC(=O)C(F)(F)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017412119	0	31	-2.0	-102.09	300.56	1.66	-100.43
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017412120	1	29	-2.0	-100.90	297.24	0.73	-100.17
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017412123	0	27	-2.0	-92.75	300.40	1.64	-91.11
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017412124	0	30	-2.0	-105.82	308.40	2.72	-103.10
COC(=O)C(F)(F)C[N-]S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017412125	1	30	-2.0	-93.75	311.09	2.75	-91.00
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2(C(O)C3=CC=CC=C3)CC2)=C1	REAL300017412179	1	39	-2.0	-103.79	351.01	3.54	-100.25
O=C([O-])C1=CC(S(=O)(=O)NC2(C(O)C3=CC=CC=C3)CC2)=CC(C(=O)[O-])=C1	REAL300017412197	0	42	-2.0	-110.46	362.59	4.38	-106.08
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2(C(O)C3=CC=CC=C3)CC2)=C1	REAL300017412199	0	40	-2.0	-106.80	328.28	4.96	-101.84
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCC(CO)C2=CC=C(Cl)C=C2)=C1	REAL300017412246	0	39	-2.0	-103.42	357.18	2.17	-101.25
CC1(C)C2CCC1(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)CC2	REAL300017412308	1	44	-2.0	-98.96	364.27	6.20	-92.76
CC1(C)C2CCC1(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)CC2	REAL300017412326	1	44	-2.0	-95.87	366.76	6.13	-89.74
CC1(C)C2CCC1(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)CC2	REAL300017412329	0	47	-2.0	-108.63	382.51	7.03	-101.60
CC1(C)C2CCC1(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])CC2	REAL300017412331	0	45	-2.0	-107.03	352.28	5.10	-101.93
N#CSCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017412414	1	29	-2.0	-90.10	310.19	3.48	-86.62
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CC2=CC=CC=C2C1	REAL300017427004	1	38	-2.0	-147.17	335.57	5.61	-141.56
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=C1F	REAL300017427053	0	38	-2.0	-116.37	338.53	6.53	-109.84
O=C([O-])C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=CC(F)=C1F	REAL300017427054	0	38	-2.0	-116.99	340.50	7.12	-109.87
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)O2)CC2=CC=CC=C2C1	REAL300017427060	1	32	-2.0	-129.34	301.74	5.35	-123.99
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CC2=CC=CC=C2C1	REAL300017427066	1	35	-2.0	-129.46	329.52	7.33	-122.13
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=C1	REAL300017427076	1	41	-2.0	-113.03	358.08	4.36	-108.67
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)=N[N-]1	REAL300017427076	1	41	-2.0	-113.03	358.20	4.37	-108.66
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CC2=CC=CC=C2C1	REAL300017427114	1	32	-2.0	-125.88	331.80	6.55	-119.33
N#CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC3=CC=CC=C3C2)OC=C1	REAL300017427119	1	33	-2.0	-138.26	303.83	5.18	-133.08
CCC1=C(S(=O)(=O)NC2(C(=O)[O-])CC3=CC=CC=C3C2)C=C(C(=O)[O-])O1	REAL300017427184	0	41	-2.0	-117.67	355.39	6.96	-110.71
O=C([O-])C1([N-]S(=O)(=O)C2=CN=CS2)CC2=CC=CC=C2C1	REAL300017427188	1	31	-2.0	-132.93	293.80	3.52	-129.41
CCCC(C)(NS(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427190	0	40	-2.0	-99.25	328.37	4.48	-94.77
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C)C(=O)[O-]	REAL300017427191	0	45	-2.0	-123.74	356.37	6.90	-116.84
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C(=O)[O-]	REAL300017427192	0	46	-2.0	-123.99	357.75	7.56	-116.43
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C(=O)[O-]	REAL300017427193	0	43	-2.0	-124.97	348.15	6.79	-118.18
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(=O)[O-]	REAL300017427195	0	36	-2.0	-112.45	319.44	5.04	-107.41
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427196	0	36	-2.0	-95.89	311.81	4.66	-91.23
CCCC(C)(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427197	0	36	-2.0	-101.24	300.44	4.34	-96.90
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427198	0	39	-2.0	-98.73	315.51	4.80	-93.93
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(=O)[O-]	REAL300017427199	0	36	-2.0	-90.52	299.33	4.29	-86.23
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300017427200	0	42	-2.0	-119.26	334.63	5.61	-113.65
CCCC(C)(NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(=O)[O-]	REAL300017427201	0	36	-2.0	-91.39	315.18	4.36	-87.03
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C(=O)[O-]	REAL300017427202	0	39	-2.0	-118.19	322.51	5.26	-112.93
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(=O)[O-]	REAL300017427203	0	33	-2.0	-94.51	293.68	3.43	-91.08
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300017427204	0	42	-2.0	-123.49	334.00	6.61	-116.88
CCCC(C)(NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427205	0	37	-2.0	-98.36	307.08	3.61	-94.75
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017427206	0	36	-2.0	-90.81	309.48	4.11	-86.70
CCCC(C)(NS(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-])C(=O)[O-]	REAL300017427207	0	39	-2.0	-103.35	313.88	4.51	-98.84
CCCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C(=O)[O-]	REAL300017427208	0	36	-2.0	-107.99	325.05	5.10	-102.89
CCCC(C)(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017427209	0	39	-2.0	-112.91	316.77	5.26	-107.65
CCCC(C)(NS(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427210	0	42	-2.0	-98.96	333.81	5.45	-93.51
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017427211	0	39	-2.0	-90.94	315.47	4.80	-86.14
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)C(=O)[O-]	REAL300017427212	0	36	-2.0	-103.48	325.12	5.31	-98.17
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017427213	0	39	-2.0	-89.29	329.41	5.08	-84.21
CCCC(C)([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300017427220	1	39	-2.0	-123.00	325.55	2.88	-120.12
CCCC(C)([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300017427249	1	36	-2.0	-118.87	319.06	2.81	-116.06
CCCC(C)([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427251	1	35	-2.0	-115.05	318.00	5.85	-109.20
CCCC(C)([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300017427279	1	33	-2.0	-117.12	297.13	4.06	-113.06
CCCC(C)([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017427284	0	33	-2.0	-129.91	287.57	4.16	-125.75
CCCC(C)([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300017427307	1	33	-2.0	-121.03	290.97	4.00	-117.03
CCCC(C)([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017427322	1	36	-2.0	-118.55	315.24	4.34	-114.21
CCCC(C)([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300017427323	1	36	-2.0	-124.79	330.36	5.93	-118.86
CCCC(C)([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300017427330	1	30	-2.0	-118.47	286.95	3.34	-115.13
CCCC(C)([N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F)C(=O)[O-]	REAL300017427356	1	36	-2.0	-129.26	308.97	4.83	-124.43
CCCC(C)([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017427362	1	33	-2.0	-121.30	301.30	4.45	-116.85
CCCC(C)(NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300017427367	1	36	-2.0	-88.68	313.91	0.25	-88.43
CCCC(C)(NS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017427369	0	36	-2.0	-115.34	315.81	4.44	-110.90
CCCC(C)([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017427388	1	30	-2.0	-111.16	301.91	4.02	-107.14
CCCC(C)([N-]S(=O)(=O)C1=NNC=C1C(=O)OCC)C(=O)[O-]	REAL300017427396	1	39	-2.0	-136.32	333.19	2.36	-133.96
CCCC(C)([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017427421	1	35	-2.0	-126.87	314.66	5.90	-120.97
CCCC(C)([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300017427428	0	33	-2.0	-107.85	306.31	4.35	-103.50
CCCC(C)([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300017427437	1	37	-2.0	-123.89	316.71	4.33	-119.56
CCCC(C)([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017427458	0	33	-2.0	-122.74	301.41	4.74	-118.00
CCCC(C)([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017427468	1	33	-2.0	-111.94	309.08	5.26	-106.68
CCCC(C)([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017427472	0	33	-2.0	-117.62	300.13	4.28	-113.34
CCCC(C)([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017427505	1	33	-2.0	-113.20	319.41	5.69	-107.51
CCCC(C)([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017427512	0	33	-2.0	-113.21	311.55	4.60	-108.61
CCCC(C)([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017427514	1	33	-2.0	-112.90	311.56	4.60	-108.30
CCCC(C)([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017427515	1	33	-2.0	-111.75	297.26	4.05	-107.70
CCCC(C)([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017427528	0	33	-2.0	-118.46	293.99	4.23	-114.23
CCCC(C)([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300017427543	1	33	-2.0	-130.20	297.54	3.39	-126.81
CCCC(C)([N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300017427550	0	40	-2.0	-128.77	357.55	3.60	-125.17
CCCC(C)([N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017427556	1	36	-2.0	-108.84	338.40	3.27	-105.57
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300017430024	0	36	-2.0	-129.79	345.04	5.07	-124.72
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300017430050	0	37	-3.0	-186.24	342.09	5.46	-180.78
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300017430050	1	38	-2.0	-115.83	345.65	4.63	-111.20
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300017430051	0	36	-2.0	-104.41	332.00	5.09	-99.32
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C(=O)[O-])=NN1	REAL300017430052	0	37	-2.0	-118.40	324.66	4.30	-114.10
CC([N-]S(=O)(=O)C1=C(C#N)C=CO1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300017430160	1	32	-2.0	-117.91	319.78	4.55	-113.36
CC([N-]S(=O)(=O)C1=C(C#N)OC=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300017430184	1	32	-2.0	-121.00	320.90	4.49	-116.51
CCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017430213	0	38	-2.0	-99.08	317.62	4.54	-94.54
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430214	0	43	-2.0	-125.46	344.88	6.89	-118.57
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)(C(=O)[O-])C1CC1	REAL300017430215	0	44	-2.0	-126.58	347.16	7.51	-119.07
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)(C(=O)[O-])C1CC1	REAL300017430216	0	41	-2.0	-126.82	334.17	6.76	-120.06
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)(C(=O)[O-])C1CC1	REAL300017430218	0	34	-2.0	-106.33	307.03	5.13	-101.20
CC(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430219	0	34	-2.0	-94.67	301.69	4.76	-89.91
CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300017430220	0	34	-2.0	-102.86	289.71	4.80	-98.06
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017430221	0	37	-2.0	-96.71	306.45	4.94	-91.77
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)(C(=O)[O-])C1CC1	REAL300017430222	0	34	-2.0	-105.96	287.85	4.31	-101.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1C	REAL300017430223	0	40	-2.0	-118.64	322.95	5.62	-113.02
CC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)(C(=O)[O-])C1CC1	REAL300017430224	0	34	-2.0	-91.66	304.57	4.40	-87.26
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430225	0	37	-2.0	-118.49	305.24	5.13	-113.36
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)(C(=O)[O-])C1CC1	REAL300017430226	0	31	-2.0	-95.56	283.45	3.48	-92.08
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430227	0	40	-2.0	-125.29	323.74	6.56	-118.73
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017430228	0	35	-2.0	-98.20	296.25	3.67	-94.53
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300017430229	0	34	-2.0	-109.77	297.60	4.11	-105.66
CC1=C(C(=O)[O-])C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C(C)O1	REAL300017430230	0	37	-2.0	-103.94	302.48	4.49	-99.45
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)(C(=O)[O-])C1CC1	REAL300017430231	0	34	-2.0	-107.89	311.21	5.05	-102.84
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300017430232	0	37	-2.0	-110.19	302.41	5.03	-105.16
CCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017430233	0	40	-2.0	-97.99	322.93	5.54	-92.45
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1C(=O)[O-]	REAL300017430234	0	37	-2.0	-90.01	304.93	4.90	-85.11
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)(C(=O)[O-])C1CC1	REAL300017430235	0	34	-2.0	-103.60	309.60	5.13	-98.47
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)(C(=O)[O-])C1CC1	REAL300017430236	0	37	-2.0	-88.16	319.30	5.18	-82.98
CN1C=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)C(=O)N(C)C1=O	REAL300017430243	1	37	-2.0	-137.13	320.72	3.60	-133.53
CN1C=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300017430271	1	34	-2.0	-122.58	310.09	3.48	-119.10
CC([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430273	1	33	-2.0	-118.77	313.02	6.67	-112.10
CC([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)(C(=O)[O-])C1CC1	REAL300017430300	1	31	-2.0	-118.20	291.84	4.88	-113.32
CC([N-]S(=O)(=O)C1=C(F)C=CC=C1F)(C(=O)[O-])C1CC1	REAL300017430305	0	31	-2.0	-138.15	281.49	5.00	-133.15
CC([N-]S(=O)(=O)C1=CC(F)=CC=C1F)(C(=O)[O-])C1CC1	REAL300017430328	1	31	-2.0	-128.64	285.66	4.82	-123.82
CC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)(C(=O)[O-])C1CC1	REAL300017430343	1	34	-2.0	-123.89	309.94	5.17	-118.72
CC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)(C(=O)[O-])C1CC1	REAL300017430344	1	34	-2.0	-131.91	326.29	6.70	-125.21
CC([N-]S(=O)(=O)C1=C(Cl)C=CS1)(C(=O)[O-])C1CC1	REAL300017430351	1	28	-2.0	-126.87	281.74	4.19	-122.68
CC1=CC(F)=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)C(F)=C1	REAL300017430378	1	34	-2.0	-137.15	303.05	5.64	-131.51
CC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)(C(=O)[O-])C1CC1	REAL300017430383	1	31	-2.0	-128.06	295.99	5.28	-122.78
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)S1	REAL300017430388	1	34	-2.0	-88.35	303.50	0.29	-88.06
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C(C(=O)[O-])S1	REAL300017430390	0	34	-2.0	-112.15	301.02	4.38	-107.77
CC([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)(C(=O)[O-])C1CC1	REAL300017430409	1	28	-2.0	-116.05	296.68	4.84	-111.21
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)(C(=O)[O-])C1CC1	REAL300017430417	1	37	-2.0	-144.85	327.91	3.08	-141.77
CC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300017430442	1	33	-2.0	-128.85	307.13	6.62	-122.23
CC([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)(C(=O)[O-])C1CC1	REAL300017430449	0	31	-2.0	-114.93	301.02	5.17	-109.76
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C)(C(=O)[O-])C1CC1	REAL300017430458	1	35	-2.0	-128.45	311.44	5.05	-123.40
CC([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)(C(=O)[O-])C1CC1	REAL300017430480	0	31	-2.0	-124.03	296.20	5.53	-118.50
CC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)(C(=O)[O-])C1CC1	REAL300017430490	1	31	-2.0	-116.50	303.13	6.05	-110.45
CC([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)(C(=O)[O-])C1CC1	REAL300017430494	0	31	-2.0	-124.96	294.97	5.06	-119.90
CC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)(C(=O)[O-])C1CC1	REAL300017430527	1	31	-2.0	-117.76	313.46	6.48	-111.28
CC([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)(C(=O)[O-])C1CC1	REAL300017430534	0	31	-2.0	-119.94	306.26	5.42	-114.52
CC([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)(C(=O)[O-])C1CC1	REAL300017430536	1	31	-2.0	-119.01	306.28	5.42	-113.59
CC([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)(C(=O)[O-])C1CC1	REAL300017430537	1	31	-2.0	-118.62	291.98	4.88	-113.74
CC([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)(C(=O)[O-])C1CC1	REAL300017430550	0	31	-2.0	-125.96	288.03	5.03	-120.93
CN1C=NC(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)=C1Cl	REAL300017430565	1	31	-2.0	-137.27	292.24	3.92	-133.35
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)C(F)=C1Cl	REAL300017430572	0	38	-2.0	-135.12	351.55	4.50	-130.62
COC(=O)C1=CC(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)=C(Br)O1	REAL300017430578	1	34	-2.0	-119.63	333.10	4.11	-115.52
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCOCC1	REAL300017445014	1	35	-2.0	-129.67	300.08	3.39	-126.28
O=C([O-])C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C(Cl)C=C1Cl	REAL300017445060	0	35	-2.0	-107.45	323.87	3.71	-103.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300017445061	0	39	-2.0	-123.76	322.08	2.72	-121.04
O=C([O-])C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC=C1O	REAL300017445062	0	36	-2.0	-121.51	299.56	0.99	-120.52
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300017445063	0	39	-2.0	-104.07	322.21	4.25	-99.82
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300017445064	0	41	-2.0	-101.59	334.31	4.54	-97.05
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300017445065	0	35	-2.0	-110.61	303.82	2.81	-107.80
O=C([O-])CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300017445066	0	38	-2.0	-103.61	312.91	3.73	-99.88
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1C(=O)[O-]	REAL300017445067	0	39	-2.0	-126.91	318.04	3.01	-123.90
O=C([O-])COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300017445068	0	39	-2.0	-101.08	321.81	3.23	-97.85
O=C([O-])COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1F	REAL300017445069	0	39	-2.0	-103.38	328.04	3.30	-100.08
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(F)=C1	REAL300017445070	0	35	-2.0	-103.03	303.61	2.82	-100.21
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1Cl	REAL300017445071	0	35	-2.0	-99.46	303.25	3.36	-96.10
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300017445072	0	38	-2.0	-103.99	316.54	3.67	-100.32
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300017445073	0	43	-2.0	-101.81	354.49	4.37	-97.44
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300017445074	0	35	-2.0	-103.01	303.29	3.12	-99.89
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C1	REAL300017445074	1	34	-3.0	-187.87	310.55	3.66	-184.21
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC(C(=O)[O-])=C1C	REAL300017445075	0	41	-2.0	-121.50	327.96	4.12	-117.38
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300017445076	0	37	-2.0	-92.85	318.94	3.61	-89.24
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C(Cl)C=C1C(=O)[O-]	REAL300017445077	0	39	-2.0	-108.25	337.45	3.32	-104.93
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC(C(=O)[O-])=C1F	REAL300017445078	0	38	-2.0	-119.81	316.09	3.63	-116.18
CC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1C(=O)[O-]	REAL300017445079	0	38	-2.0	-115.04	318.49	3.39	-111.65
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1Cl	REAL300017445080	0	38	-2.0	-113.93	322.88	4.11	-109.82
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC(C(=O)[O-])=C1Cl	REAL300017445081	0	38	-2.0	-117.52	322.47	3.94	-113.58
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300017445082	0	38	-2.0	-95.16	317.15	4.07	-91.09
COC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1C(=O)[O-]	REAL300017445083	0	39	-2.0	-116.91	337.41	3.34	-113.57
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C([N+](=O)[O-])=C1	REAL300017445084	0	37	-2.0	-92.89	308.05	4.34	-88.55
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300017445085	0	32	-2.0	-107.67	285.15	2.03	-105.64
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300017445086	0	38	-2.0	-101.46	313.38	3.75	-97.71
O=C([O-])C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC=C1[N+](=O)[O-]	REAL300017445087	0	37	-2.0	-116.40	316.03	4.14	-112.26
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C)=C1CC(=O)[O-]	REAL300017445088	0	47	-2.0	-122.35	351.68	5.48	-116.87
O=C([O-])C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1[N+](=O)[O-]	REAL300017445089	0	37	-2.0	-109.42	319.79	4.65	-104.77
CC(C)(C)C1=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C(C(=O)[O-])S1	REAL300017445090	0	44	-2.0	-113.58	352.90	5.12	-108.46
CC1=C(Cl)C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1C(=O)[O-]	REAL300017445091	0	38	-2.0	-96.62	320.88	3.97	-92.65
CC1=C(F)C=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C1C(=O)[O-]	REAL300017445092	0	38	-2.0	-95.83	312.21	3.56	-92.27
O=C([O-])C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC2=CC=CC=C21	REAL300017445093	0	41	-2.0	-127.97	331.86	5.06	-122.91
COC(=O)C1=COC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C1	REAL300017445100	1	35	-2.0	-125.44	310.07	1.74	-123.70
COC(=O)C1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)SC=N1	REAL300017445133	0	34	-2.0	-127.16	307.63	0.68	-126.48
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCOCC1	REAL300017445143	1	32	-2.0	-130.46	286.34	3.75	-126.71
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCOCC1	REAL300017445149	1	31	-2.0	-122.04	289.29	2.39	-119.65
N#CC1=CC=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)O1	REAL300017445176	1	30	-2.0	-114.91	274.24	1.53	-113.38
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C(Br)N1C	REAL300017445181	1	35	-2.0	-135.73	311.91	2.37	-133.36
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=N1	REAL300017445202	0	34	-2.0	-143.73	298.67	1.65	-142.08
O=C([O-])C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C(F)C(F)=C1F	REAL300017445211	0	35	-2.0	-101.22	307.66	3.13	-98.09
O=C([O-])C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C(F)C(F)=C1F	REAL300017445211	1	34	-3.0	-182.96	314.92	3.70	-179.26
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300017445213	0	39	-2.0	-108.98	326.50	2.49	-106.49
O=C([O-])C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1F	REAL300017445214	0	35	-2.0	-110.67	301.65	2.75	-107.92
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300017445228	0	37	-3.0	-179.11	319.16	3.49	-175.62
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300017445229	0	39	-2.0	-104.09	319.61	2.17	-101.92
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300017445230	0	35	-3.0	-206.29	304.45	1.25	-205.04
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300017445230	1	36	-2.0	-114.37	307.49	0.44	-113.93
O=C([O-])C1=CC=NC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300017445231	0	34	-2.0	-112.23	288.24	0.93	-111.30
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(C(=O)[O-])=NN1	REAL300017445232	0	35	-2.0	-144.98	283.44	0.44	-144.54
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCOCC1	REAL300017445233	0	38	-2.0	-121.10	309.54	3.69	-117.41
O=C([O-])C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C(Cl)O1	REAL300017445234	0	32	-2.0	-108.44	295.06	1.77	-106.67
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=CO2)CCOCC1	REAL300017445237	0	29	-2.0	-123.95	272.08	1.65	-122.30
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	REAL300017445247	1	36	-2.0	-130.39	306.76	3.57	-126.82
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCOCC1	REAL300017445273	1	35	-2.0	-136.59	299.74	2.06	-134.53
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOCC1	REAL300017445275	0	33	-2.0	-98.81	301.97	2.11	-96.70
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1F	REAL300017445338	0	35	-2.0	-112.75	305.46	2.74	-110.01
O=C([O-])C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=CC(F)=C1F	REAL300017445339	0	35	-2.0	-95.58	301.57	3.04	-92.54
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCOCC1	REAL300017445348	1	34	-2.0	-122.29	311.34	2.25	-120.04
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)O2)CCOCC1	REAL300017445350	1	29	-2.0	-118.58	270.06	1.60	-116.98
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCOCC1	REAL300017445355	1	32	-2.0	-123.39	297.87	3.58	-119.81
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300017445368	1	38	-2.0	-112.43	325.94	0.04	-112.39
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=N[N-]1	REAL300017445368	1	38	-2.0	-112.64	325.92	-0.01	-112.65
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCOCC1	REAL300017445391	1	29	-2.0	-116.23	295.68	3.06	-113.17
N#CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)OC=C1	REAL300017445400	1	30	-2.0	-127.34	274.47	1.44	-125.90
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOCC3)C=C2C1	REAL300017445457	0	42	-2.0	-115.93	336.01	4.60	-111.33
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)CCOCC1	REAL300017445462	1	39	-2.0	-129.70	338.23	4.04	-125.66
CCC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C=C(C(=O)[O-])O1	REAL300017445471	0	38	-2.0	-112.57	314.42	2.85	-109.72
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1C(=O)[O-]	REAL300017445477	0	36	-2.0	-115.79	314.32	0.88	-114.91
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445478	0	41	-2.0	-120.93	342.50	2.05	-118.88
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445479	0	42	-2.0	-121.47	345.09	3.46	-118.01
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445480	0	39	-2.0	-114.34	330.26	2.23	-112.11
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445482	0	32	-2.0	-112.33	300.48	0.75	-111.58
O=C([O-])C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=CC=C1Cl	REAL300017445483	0	32	-2.0	-115.38	298.23	1.03	-114.35
O=C([O-])C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445484	0	32	-2.0	-118.68	285.73	0.64	-118.04
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1C(=O)[O-]	REAL300017445485	0	35	-2.0	-119.39	301.64	1.18	-118.21
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1	REAL300017445486	0	32	-2.0	-103.34	286.37	0.95	-102.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1C	REAL300017445487	0	38	-2.0	-129.52	319.34	2.10	-127.42
O=C([O-])CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)S1	REAL300017445488	0	32	-2.0	-103.90	299.86	0.65	-103.25
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445489	0	35	-2.0	-130.27	304.72	1.65	-128.62
O=C([O-])C1=CSC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445490	0	29	-2.0	-100.42	279.61	-0.19	-100.61
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445491	0	38	-2.0	-115.10	321.52	2.04	-113.06
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1C(=O)[O-]	REAL300017445492	0	33	-2.0	-113.75	293.03	0.09	-113.66
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C1	REAL300017445493	0	32	-2.0	-111.41	295.14	0.22	-111.19
CC1=C(C(=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C(C)O1	REAL300017445494	0	35	-2.0	-108.60	295.97	1.07	-107.53
O=C([O-])C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=C(Cl)C=C1F	REAL300017445495	0	32	-2.0	-111.77	305.09	0.80	-110.97
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC(O)C1	REAL300017445496	0	35	-2.0	-99.18	300.05	1.55	-97.63
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1C(=O)[O-]	REAL300017445497	0	38	-2.0	-119.87	319.96	1.83	-118.04
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)=CC=C1C(=O)[O-]	REAL300017445498	0	35	-2.0	-99.56	301.60	1.18	-98.38
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C(Br)=C1	REAL300017445499	0	32	-2.0	-106.21	303.64	0.92	-105.29
O=C([O-])C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C1C(F)(F)F	REAL300017445500	0	35	-2.0	-103.22	317.13	1.64	-101.58
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(O)C2)C(=O)N(C)C1=O	REAL300017445507	1	35	-2.0	-127.99	308.64	-0.73	-128.72
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(O)C2)C(C(F)(F)F)=N1	REAL300017445536	1	32	-2.0	-125.27	299.75	-0.70	-125.97
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CC(O)C1	REAL300017445538	1	31	-2.0	-119.91	303.63	2.43	-117.48
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CC(O)C1	REAL300017445566	1	29	-2.0	-119.09	279.20	0.51	-118.58
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2F)CC(O)C1	REAL300017445571	0	29	-2.0	-140.14	269.64	0.70	-139.44
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=CC=C2F)CC(O)C1	REAL300017445594	1	29	-2.0	-130.93	273.02	0.57	-130.36
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC(O)C1	REAL300017445609	1	32	-2.0	-130.69	296.38	1.06	-129.63
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC(O)C1	REAL300017445610	1	32	-2.0	-132.33	315.77	2.26	-130.07
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CS2)CC(O)C1	REAL300017445617	1	26	-2.0	-126.38	267.02	-0.12	-126.50
CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(O)C2)C(F)=C1	REAL300017445643	1	32	-2.0	-136.89	291.02	1.26	-135.63
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CC(O)C1	REAL300017445649	1	29	-2.0	-130.63	283.35	1.02	-129.61
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)S1	REAL300017445654	1	32	-2.0	-102.09	299.72	-3.40	-105.49
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC(O)C2)C=C(C(=O)[O-])S1	REAL300017445656	0	32	-2.0	-124.74	298.74	0.61	-124.13
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CC(O)C1	REAL300017445675	1	26	-2.0	-119.03	283.97	0.48	-118.55
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC(O)C1	REAL300017445683	1	35	-2.0	-144.56	313.99	-0.96	-145.52
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CC(O)C1	REAL300017445708	1	31	-2.0	-130.87	294.04	2.30	-128.57
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CC(O)C1	REAL300017445715	0	29	-2.0	-113.96	288.35	0.79	-113.17
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC(O)C1	REAL300017445724	1	33	-2.0	-131.10	298.77	0.79	-130.31
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC(O)C1	REAL300017445745	0	29	-2.0	-130.06	283.47	1.18	-128.88
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CC(O)C1	REAL300017445755	1	29	-2.0	-116.57	291.11	1.67	-114.90
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CC(O)C1	REAL300017445759	0	29	-2.0	-127.28	282.20	0.82	-126.46
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CC(O)C1	REAL300017445792	1	29	-2.0	-118.00	301.44	2.11	-115.89
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CC(O)C1	REAL300017445799	0	29	-2.0	-119.40	293.61	1.05	-118.35
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CC(O)C1	REAL300017445801	1	29	-2.0	-118.85	293.61	1.05	-117.80
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CC(O)C1	REAL300017445802	1	29	-2.0	-118.04	279.31	0.51	-117.53
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CC(O)C1	REAL300017445815	0	29	-2.0	-125.55	276.02	0.65	-124.90
CN1C=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CC(O)C2)=C1Cl	REAL300017445830	1	29	-2.0	-137.41	279.62	-0.05	-137.46
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(O)C2)C(F)=C1Cl	REAL300017445837	0	36	-2.0	-133.56	338.94	0.11	-133.45
COC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC(O)C2)=C(Br)O1	REAL300017445843	1	32	-2.0	-121.12	320.45	-0.14	-121.26
CCC(CC)([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017449001	1	35	-2.0	-133.19	306.68	6.36	-126.83
CCC(CC)([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300017449008	0	33	-2.0	-113.39	301.17	4.63	-108.76
CCC(CC)([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300017449017	1	37	-2.0	-131.54	311.10	4.75	-126.79
CCC(CC)([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017449038	0	33	-2.0	-131.15	295.82	5.18	-125.97
CCC(CC)([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017449048	1	33	-2.0	-115.37	304.10	5.50	-109.87
CCC(CC)([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017449052	0	33	-2.0	-124.56	294.53	4.72	-119.84
CCC(CC)([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017449085	1	33	-2.0	-116.70	313.80	6.10	-110.60
CCC(CC)([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017449092	0	33	-2.0	-119.63	305.94	5.06	-114.57
CCC(CC)([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017449094	1	33	-2.0	-118.14	306.53	4.89	-113.25
CCC(CC)([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017449095	1	33	-2.0	-117.98	291.64	4.51	-113.47
CCC(CC)([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017449108	0	33	-2.0	-125.03	288.94	4.50	-120.53
CCC(CC)([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300017449123	1	33	-2.0	-137.96	291.93	3.85	-134.11
CCC(CC)([N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300017449130	0	40	-2.0	-135.03	351.30	4.01	-131.02
CCC(CC)([N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017449136	1	36	-2.0	-111.74	333.35	3.63	-108.11
CCC(CC)([N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300017450004	1	40	-2.0	-126.52	341.87	5.23	-121.29
CCC1=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017450013	0	39	-2.0	-111.35	311.67	4.42	-106.93
CCN1C=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1C(=O)[O-]	REAL300017450019	0	38	-2.0	-100.31	324.86	2.93	-97.38
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C)C(=O)[O-]	REAL300017450020	0	43	-2.0	-126.73	352.91	5.32	-121.41
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C(=O)[O-]	REAL300017450021	0	44	-2.0	-127.10	354.19	5.96	-121.14
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C(=O)[O-]	REAL300017450022	0	41	-2.0	-127.35	344.19	5.15	-122.20
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(=O)[O-]	REAL300017450024	0	34	-2.0	-119.89	316.20	2.94	-116.95
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450025	0	34	-2.0	-98.78	309.18	3.14	-95.64
COCC(C)(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450026	0	34	-2.0	-102.07	296.68	2.74	-99.33
COCC(C)(NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450027	0	37	-2.0	-101.56	312.81	3.39	-98.17
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(=O)[O-]	REAL300017450028	0	34	-2.0	-92.92	295.82	2.74	-90.18
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300017450029	0	40	-2.0	-123.74	334.94	3.71	-120.03
COCC(C)(NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(=O)[O-]	REAL300017450030	0	34	-2.0	-94.22	311.70	2.81	-91.41
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C(=O)[O-]	REAL300017450031	0	37	-2.0	-119.72	316.21	3.10	-116.62
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(=O)[O-]	REAL300017450032	0	31	-2.0	-95.75	289.98	1.96	-93.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300017450033	0	40	-2.0	-126.57	330.61	5.02	-121.55
COCC(C)(NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450034	0	35	-2.0	-99.43	303.58	2.06	-97.37
COCC(C)(NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017450035	0	34	-2.0	-93.70	305.95	2.55	-91.15
COCC(C)(NS(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-])C(=O)[O-]	REAL300017450036	0	37	-2.0	-106.57	310.37	3.08	-103.49
COCC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C(=O)[O-]	REAL300017450037	0	34	-2.0	-110.12	318.62	2.94	-107.18
COCC(C)(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017450038	0	37	-2.0	-115.41	308.04	2.92	-112.49
CCC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1C(=O)[O-]	REAL300017450039	0	40	-2.0	-101.90	330.87	4.04	-97.86
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017450040	0	37	-2.0	-92.30	312.75	3.40	-88.90
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)C(=O)[O-]	REAL300017450041	0	34	-2.0	-105.47	319.17	3.11	-102.36
COCC(C)(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017450042	0	37	-2.0	-90.80	326.77	3.55	-87.25
COCC(C)([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300017450049	1	37	-2.0	-124.64	322.15	1.30	-123.34
COCC(C)([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300017450080	1	34	-2.0	-120.44	315.63	1.24	-119.20
COCC(C)([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450082	1	33	-2.0	-116.76	314.15	4.33	-112.43
COCC(C)([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300017450112	1	31	-2.0	-118.26	293.83	2.53	-115.73
COCC(C)([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017450117	0	31	-2.0	-130.80	284.03	2.74	-128.06
COCC(C)([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300017450141	1	31	-2.0	-122.34	287.48	2.42	-119.92
COCC(C)([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017450156	1	34	-2.0	-119.57	311.82	2.82	-116.75
COCC(C)([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300017450157	1	34	-2.0	-125.79	326.90	4.40	-121.39
COCC(C)([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300017450164	1	28	-2.0	-119.30	283.74	1.82	-117.48
COCC(C)([N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F)C(=O)[O-]	REAL300017450190	1	34	-2.0	-130.07	305.42	3.41	-126.66
COCC(C)([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017450196	1	31	-2.0	-122.57	297.80	2.88	-119.69
COCC(C)(NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300017450201	1	34	-2.0	-90.80	310.44	-1.30	-92.10
COCC(C)(NS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017450203	0	34	-2.0	-117.17	306.43	2.08	-115.09
COCC(C)([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017450222	1	28	-2.0	-112.71	298.45	2.50	-110.21
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)(COC)C(=O)[O-]	REAL300017450230	1	37	-2.0	-137.08	329.64	0.93	-136.15
COCC(C)([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017450255	1	33	-2.0	-129.02	311.31	4.47	-124.55
COCC(C)([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300017450262	0	31	-2.0	-109.28	302.84	2.82	-106.46
COCC(C)([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300017450271	1	35	-2.0	-123.91	313.16	2.89	-121.02
COCC(C)([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017450292	0	31	-2.0	-122.05	297.88	3.32	-118.73
COCC(C)([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017450301	1	31	-2.0	-113.58	305.52	3.84	-109.74
COCC(C)([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017450305	0	31	-2.0	-118.99	296.71	2.75	-116.24
COCC(C)([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017450336	1	31	-2.0	-114.74	315.85	4.27	-110.47
COCC(C)([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017450343	0	31	-2.0	-114.98	308.48	3.05	-111.93
COCC(C)([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017450345	1	31	-2.0	-114.73	308.49	3.05	-111.68
COCC(C)([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017450346	1	31	-2.0	-113.62	294.19	2.51	-111.11
COCC(C)([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017450359	0	31	-2.0	-119.61	290.43	2.80	-116.81
COCC(C)([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300017450375	1	31	-2.0	-131.14	294.00	1.97	-129.17
COCC(C)([N-]S(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1F)C(=O)[O-]	REAL300017450383	1	37	-2.0	-122.73	343.78	3.11	-119.62
CC1=CC(F)=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)C(F)=C1	REAL300017475007	0	31	-2.0	-133.72	286.22	4.87	-128.85
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C[C@H](F)C1	REAL300017475013	1	28	-2.0	-125.27	278.80	4.50	-120.77
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475018	1	31	-2.0	-106.06	294.58	-0.32	-106.38
CC1=C(S(=O)(=O)N[C@]2(C(=O)[O-])C[C@@H](F)C2)C=C(C(=O)[O-])S1	REAL300017475020	0	31	-2.0	-121.21	292.05	4.27	-116.94
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C[C@H](F)C1	REAL300017475039	1	25	-2.0	-112.18	279.93	4.01	-108.17
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475047	1	34	-2.0	-139.18	312.01	2.09	-137.09
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C[C@H](F)C1	REAL300017475072	1	30	-2.0	-122.25	296.47	5.31	-116.94
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C[C@H](F)C1	REAL300017475079	0	28	-2.0	-111.61	283.57	4.38	-107.23
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@]1(C(=O)[O-])C[C@@H](F)C1	REAL300017475088	1	32	-2.0	-126.37	294.19	4.17	-122.20
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C[C@H](F)C1	REAL300017475109	0	28	-2.0	-122.83	278.65	4.74	-118.09
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C[C@H](F)C1	REAL300017475118	1	28	-2.0	-114.37	286.54	5.27	-109.10
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C[C@H](F)C1	REAL300017475122	0	28	-2.0	-122.03	277.62	4.31	-117.72
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C[C@H](F)C1	REAL300017475153	0	28	-2.0	-113.63	298.30	5.54	-108.09
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=C(Br)C=C2F)C[C@H](F)C1	REAL300017475157	1	28	-2.0	-118.50	284.67	4.43	-114.07
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C[C@H](F)C1	REAL300017475158	1	28	-2.0	-108.45	275.53	4.11	-104.34
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C[C@H](F)C1	REAL300017475160	0	28	-2.0	-116.80	288.81	4.66	-112.14
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C[C@H](F)C1	REAL300017475162	1	28	-2.0	-115.60	289.57	4.60	-111.00
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C[C@H](F)C1	REAL300017475163	0	28	-2.0	-113.60	276.07	3.93	-109.67
O=C([O-])[C@]1([N-]S(=O)(=O)C2=CC=CC(Cl)=C2F)C[C@H](F)C1	REAL300017475170	1	28	-2.0	-127.61	278.74	4.43	-123.18
O=C([O-])[C@]1([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C[C@H](F)C1	REAL300017475176	0	28	-2.0	-120.91	272.78	4.10	-116.81
CC1=CC=C(Cl)C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C1Cl	REAL300017475183	1	31	-2.0	-123.20	300.23	5.61	-117.59
CN1C=NC(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C1Cl	REAL300017475192	0	28	-2.0	-130.37	275.44	3.36	-127.01
COC(=O)C1=C(F)C=CC(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C1F	REAL300017475200	1	34	-2.0	-120.16	324.07	4.72	-115.44
CC1=CC(Br)=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)S1	REAL300017475202	1	28	-2.0	-124.94	290.65	4.34	-120.60
CC1=C(Br)SC(S(=O)(=O)[N-][C@]2(C(=O)[O-])C[C@@H](F)C2)=C1	REAL300017475223	1	28	-2.0	-119.32	289.66	4.27	-115.05
CC(C)OC1=CC(Cl)=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017485012	0	42	-2.0	-107.58	377.98	5.11	-102.47
CC1=CC(Cl)=CN2C=C(CNS(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])N=C12	REAL300017485040	0	38	-2.0	-109.41	358.19	5.28	-104.13
NC(=O)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CC1	REAL300017485116	1	32	-2.0	-101.26	306.65	1.16	-100.10
NC(=O)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F)C1CC1	REAL300017485141	1	32	-2.0	-98.07	312.28	0.23	-97.84
NC(=O)C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C1CC1	REAL300017485145	0	35	-2.0	-109.01	325.40	0.74	-108.27
NC(=O)C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C1CC1	REAL300017485147	0	33	-2.0	-108.63	294.33	-0.76	-109.39
CCN1C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017485156	0	35	-2.0	-101.83	331.42	5.69	-96.14
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485157	0	40	-2.0	-101.95	354.19	7.50	-94.45
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017485158	0	41	-2.0	-122.42	353.79	7.91	-114.51
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017485159	0	38	-2.0	-107.15	340.76	7.21	-99.94
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017485161	0	31	-2.0	-99.75	309.80	5.75	-94.00
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017485162	0	31	-2.0	-116.28	316.23	5.88	-110.40
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017485163	0	31	-2.0	-119.19	303.71	5.48	-113.71
CC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017485164	0	34	-2.0	-119.90	319.73	6.02	-113.88
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017485165	0	31	-2.0	-103.98	303.70	5.50	-98.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1C	REAL300017485166	0	37	-2.0	-113.85	326.10	6.37	-107.48
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017485167	0	31	-2.0	-96.71	318.46	5.44	-91.27
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485168	0	34	-2.0	-106.52	311.32	5.90	-100.62
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017485169	0	28	-2.0	-112.59	297.02	4.52	-108.07
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485170	0	37	-2.0	-101.88	336.07	7.17	-94.71
CN1C=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017485171	0	32	-2.0	-101.12	310.05	4.83	-96.29
CC1=C(C(=O)[O-])SC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C1	REAL300017485172	0	31	-2.0	-98.31	312.34	5.14	-93.17
CC1=C(C(=O)[O-])C(S(=O)(=O)N(CCC#N)CC(=O)[O-])=C(C)O1	REAL300017485173	0	34	-2.0	-106.94	313.86	5.71	-101.23
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017485174	0	31	-2.0	-98.43	314.47	5.78	-92.65
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N(CCC#N)CC(=O)[O-]	REAL300017485175	0	34	-2.0	-106.79	313.81	6.16	-100.63
CCC1=CC=C(S(=O)(=O)N(CCC#N)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017485176	0	37	-2.0	-120.19	337.98	6.67	-113.52
CC1=CC(S(=O)(=O)N(CCC#N)CC(=O)[O-])=CC=C1C(=O)[O-]	REAL300017485177	0	34	-2.0	-102.61	319.70	6.05	-96.56
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017485178	0	31	-2.0	-97.86	307.12	5.60	-92.26
N#CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017485179	0	34	-2.0	-102.72	333.81	6.30	-96.42
CC(=O)N[C@@H](CCCC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300017548001	1	43	-2.0	-114.36	386.66	2.17	-112.19
CC(=O)N[C@@H](CCCC[N-]S(=O)(=O)C1=CC=C(Cl)O1)C(=O)[O-]	REAL300017548046	1	37	-2.0	-101.83	356.37	1.54	-100.29
CC(=O)N[C@@H](CCCC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300017548054	1	40	-2.0	-102.40	384.72	3.57	-98.83
CCOC(=O)C1=CC(S(=O)(=O)NCCCC[C@H](NC(C)=O)C(=O)[O-])=N[N-]1	REAL300017548062	1	46	-2.0	-99.24	414.21	0.97	-98.27
CC(=O)N[C@@H](CCCC[N-]S(=O)(=O)C1=C(C#N)C=CO1)C(=O)[O-]	REAL300017548105	1	38	-2.0	-107.43	359.60	1.42	-106.01
CCN1C=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(=O)[O-]	REAL300017548164	0	38	-2.0	-104.21	348.00	3.73	-100.48
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548165	0	43	-2.0	-104.14	373.75	5.62	-98.52
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017548166	0	44	-2.0	-105.62	375.55	6.20	-99.42
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017548167	0	41	-2.0	-106.17	362.87	5.42	-100.75
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017548169	0	34	-2.0	-97.97	321.56	3.57	-94.40
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017548170	0	34	-2.0	-101.71	332.48	3.91	-97.80
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017548171	0	34	-2.0	-104.23	319.97	3.52	-100.71
CC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(=O)[O-]	REAL300017548172	0	37	-2.0	-103.80	336.00	4.05	-99.75
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017548173	0	34	-2.0	-99.32	319.94	3.52	-95.80
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1C	REAL300017548174	0	40	-2.0	-105.98	351.55	4.95	-101.03
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017548175	0	34	-2.0	-97.59	334.53	3.46	-94.13
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548176	0	37	-2.0	-105.01	334.62	4.42	-100.59
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017548177	0	31	-2.0	-100.40	313.14	2.54	-97.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548178	0	40	-2.0	-104.55	351.64	5.30	-99.25
CN1C=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(=O)[O-]	REAL300017548179	0	35	-2.0	-103.53	326.61	2.86	-100.67
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017548180	0	34	-2.0	-98.31	329.07	3.20	-95.11
CC1=C(C(=O)[O-])C(S(=O)(=O)NCCCOCC(=O)[O-])=C(C)O1	REAL300017548181	0	37	-2.0	-106.59	334.37	3.89	-102.70
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017548182	0	34	-2.0	-98.18	326.07	3.58	-94.60
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017548183	0	37	-2.0	-101.26	329.88	4.20	-97.06
CCC1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(=O)[O-]	REAL300017548184	0	40	-2.0	-103.55	354.20	4.70	-98.85
CC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC=C1C(=O)[O-]	REAL300017548185	0	37	-2.0	-98.64	335.97	4.06	-94.58
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017548186	0	34	-2.0	-95.51	336.35	4.26	-91.25
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017548187	0	37	-2.0	-98.00	350.08	4.33	-93.67
CN1C=C(S(=O)(=O)[N-]CCCOCC(=O)[O-])C(=O)N(C)C1=O	REAL300017548194	1	37	-2.0	-106.20	335.83	1.59	-104.61
CN1C=C(S(=O)(=O)[N-]CCCOCC(=O)[O-])C(C(F)(F)F)=N1	REAL300017548225	1	34	-2.0	-101.85	327.89	1.42	-100.43
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017548227	1	33	-2.0	-97.18	330.37	4.74	-92.44
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017548257	1	31	-2.0	-97.42	307.33	2.76	-94.66
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300017548262	0	31	-2.0	-108.82	297.78	2.86	-105.96
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300017548286	1	31	-2.0	-101.17	301.15	2.70	-98.47
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017548301	1	34	-2.0	-98.87	325.43	3.04	-95.83
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017548302	1	34	-2.0	-103.83	340.55	4.64	-99.19
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300017548309	1	28	-2.0	-100.15	297.23	2.04	-98.11
CC1=CC(F)=C(S(=O)(=O)[N-]CCCOCC(=O)[O-])C(F)=C1	REAL300017548335	1	34	-2.0	-107.92	319.18	3.54	-104.38
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017548341	1	31	-2.0	-101.15	311.48	3.16	-97.99
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCCOCC(=O)[O-])S1	REAL300017548346	1	34	-2.0	-92.60	333.18	-0.68	-93.28
CC1=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017548348	0	34	-2.0	-103.61	328.85	3.48	-100.13
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017548367	1	28	-2.0	-94.03	312.09	2.74	-91.29
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCOCC(=O)[O-]	REAL300017548375	1	37	-2.0	-115.54	343.38	1.08	-114.46
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017548400	1	33	-2.0	-105.34	324.52	4.69	-100.65
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017548407	0	31	-2.0	-90.71	316.49	3.06	-87.65
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CCCOCC(=O)[O-]	REAL300017548416	1	35	-2.0	-103.45	326.90	3.05	-100.40
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017548437	0	31	-2.0	-102.37	311.62	3.43	-98.94
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017548446	1	31	-2.0	-94.41	319.27	3.95	-90.46
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017548450	0	31	-2.0	-98.69	310.33	2.99	-95.70
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017548481	1	31	-2.0	-95.08	329.60	4.39	-90.69
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017548488	0	31	-2.0	-94.61	321.75	3.30	-91.31
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017548490	1	31	-2.0	-94.46	321.75	3.30	-91.16
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017548491	1	31	-2.0	-93.87	307.44	2.76	-91.11
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017548504	0	31	-2.0	-99.29	304.17	2.93	-96.36
CN1C=NC(S(=O)(=O)[N-]CCCOCC(=O)[O-])=C1Cl	REAL300017548520	1	31	-2.0	-109.49	307.74	2.08	-107.41
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300017549001	0	38	-2.0	-98.78	351.05	3.80	-94.98
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300017549002	0	38	-2.0	-101.06	357.27	3.86	-97.20
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300017549003	0	34	-2.0	-95.72	318.14	3.27	-92.45
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300017549004	0	34	-2.0	-97.72	332.45	3.92	-93.80
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017549005	0	37	-2.0	-105.99	337.75	3.89	-102.10
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1	REAL300017549006	0	42	-2.0	-99.15	383.70	4.93	-94.22
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017549007	0	34	-2.0	-92.81	324.45	3.33	-89.48
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300017549007	1	33	-3.0	-159.35	329.47	3.26	-156.09
CC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017549008	0	40	-2.0	-106.06	357.45	4.72	-101.34
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300017549009	0	36	-2.0	-95.14	348.14	4.19	-90.95
COC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017549010	0	38	-2.0	-100.38	348.82	3.62	-96.76
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300017549011	0	34	-2.0	-96.87	336.19	4.01	-92.86
CC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017549012	0	37	-2.0	-105.93	344.81	4.17	-101.76
CC1=CC(F)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(=O)[O-]	REAL300017549013	0	37	-2.0	-97.74	334.24	3.80	-93.94
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1Cl	REAL300017549014	0	37	-2.0	-98.58	340.25	4.15	-94.43
CC1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017549015	0	37	-2.0	-102.74	351.20	4.47	-98.27
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017549016	0	37	-2.0	-96.34	346.08	4.77	-91.57
COC1=CC(Cl)=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(=O)[O-]	REAL300017549017	0	38	-2.0	-103.32	348.85	3.63	-99.69
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300017549018	0	36	-2.0	-94.65	337.39	5.01	-89.64
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300017549019	0	31	-2.0	-98.04	312.21	2.65	-95.39
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300017549020	0	37	-2.0	-102.00	342.13	4.29	-97.71
O=C([O-])COCCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300017549021	0	36	-2.0	-111.33	346.53	4.61	-106.72
CC1=CC(C)=C(S(=O)(=O)NCCCOCC(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017549022	0	46	-2.0	-102.61	377.36	6.02	-96.59
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300017549023	0	36	-2.0	-109.83	343.41	5.31	-104.52
CC(C)(C)C1=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017549024	0	43	-2.0	-103.06	369.47	5.31	-97.75
CC1=C(Cl)C=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(=O)[O-]	REAL300017549025	0	37	-2.0	-99.07	353.70	4.58	-94.49
CC1=C(F)C=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C1C(=O)[O-]	REAL300017549026	0	37	-2.0	-98.40	344.90	4.19	-94.21
O=C([O-])COCCCNS(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300017549027	0	40	-2.0	-109.77	361.00	5.65	-104.12
COC(=O)C1=COC(S(=O)(=O)[N-]CCCOCC(=O)[O-])=C1	REAL300017549034	1	34	-2.0	-100.96	329.14	1.32	-99.64
COC(=O)C1=C(S(=O)(=O)[N-]CCCOCC(=O)[O-])SC=N1	REAL300017549066	0	33	-2.0	-106.11	329.43	0.33	-105.78
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017549076	1	31	-2.0	-105.72	305.30	3.38	-102.34
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017549081	1	30	-2.0	-99.13	308.23	2.02	-97.11
CC1=NC(S(=O)(=O)[N-]CCCOCC(=O)[O-])=C(Br)N1C	REAL300017549113	1	34	-2.0	-109.55	329.87	2.03	-107.52
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCCOCC(=O)[O-])=N1	REAL300017549135	0	33	-2.0	-113.81	317.60	1.48	-112.33
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017549144	0	34	-2.0	-93.62	328.90	3.34	-90.28
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017549144	1	33	-3.0	-156.14	333.88	3.27	-152.87
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NCCCOCC(=O)[O-])=C1OC	REAL300017549146	0	45	-2.0	-100.78	389.63	4.06	-96.72
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017549147	0	38	-2.0	-98.60	340.38	3.34	-95.26
O=C([O-])COCCCNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F	REAL300017549148	0	34	-2.0	-106.08	316.30	3.23	-102.85
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017549163	0	36	-3.0	-168.30	348.36	4.08	-164.22
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCCCOCC(=O)[O-])=C1	REAL300017549164	0	38	-2.0	-103.24	341.12	2.51	-100.73
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017549165	0	34	-3.0	-164.33	318.36	2.13	-162.20
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1O	REAL300017549165	1	35	-2.0	-102.09	329.31	1.25	-100.84
O=C([O-])COCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300017549166	0	33	-2.0	-98.79	313.41	1.84	-96.95
CC1=C(S(=O)(=O)NCCCOCC(=O)[O-])C(C(=O)[O-])=NN1	REAL300017549167	0	34	-2.0	-110.03	310.94	1.33	-108.70
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCCCOCC(=O)[O-]	REAL300017549168	0	37	-2.0	-105.88	339.11	4.46	-101.42
O=C([O-])COCCCNS(=O)(=O)C1=C(Cl)OC(C(=O)[O-])=C1	REAL300017549169	0	31	-2.0	-95.63	311.44	2.12	-93.51
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017549172	0	28	-2.0	-99.65	291.02	1.25	-98.40
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCCOCC(=O)[O-]	REAL300017549182	1	35	-2.0	-104.13	325.68	3.25	-100.88
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017549210	1	34	-2.0	-108.14	318.68	1.81	-106.33
O=C([O-])COCCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017549212	0	32	-2.0	-87.56	322.72	2.60	-84.96
O=C([O-])COCCCNS(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017549273	0	34	-2.0	-107.22	320.86	3.26	-103.96
O=C([O-])COCCCNS(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017549274	0	34	-2.0	-99.84	330.77	3.61	-96.23
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300017549283	0	31	-2.0	-100.08	319.06	3.49	-96.59
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300017549284	1	33	-2.0	-96.64	330.26	1.85	-94.79
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017549290	1	31	-2.0	-96.90	316.79	3.18	-93.72
CCOC(=O)C1=CC(S(=O)(=O)NCCCOCC(=O)[O-])=N[N-]1	REAL300017549303	1	37	-2.0	-91.40	346.30	0.66	-90.74
O=C([O-])COCCC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017549322	1	28	-2.0	-91.55	314.32	2.68	-88.87
O=C([O-])COCCCNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017549382	0	41	-2.0	-103.14	365.39	5.40	-97.74
O=C([O-])COCCC[N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300017549386	1	38	-2.0	-102.22	357.19	3.64	-98.58
CCC1=C(S(=O)(=O)NCCCOCC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017549395	0	37	-2.0	-101.82	344.30	3.43	-98.39
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300017549401	0	37	-2.0	-116.87	324.46	4.23	-112.64
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300017549402	0	42	-2.0	-108.49	337.56	6.07	-102.42
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017549403	0	43	-2.0	-109.13	341.18	6.79	-102.34
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017549404	0	40	-2.0	-107.73	327.51	6.12	-101.61
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017549406	0	33	-2.0	-107.20	290.77	4.60	-102.60
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017549407	0	33	-2.0	-104.51	308.16	4.41	-100.10
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017549408	0	33	-2.0	-115.77	289.02	4.29	-111.48
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300017549409	0	36	-2.0	-105.96	310.84	4.51	-101.45
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017549410	0	33	-2.0	-105.63	295.63	4.03	-101.60
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300017549411	0	39	-2.0	-106.94	318.51	5.62	-101.32
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017549412	0	33	-2.0	-98.32	304.15	4.33	-93.99
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300017549413	0	36	-2.0	-105.22	301.52	5.09	-100.13
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017549414	0	30	-2.0	-111.64	282.94	3.42	-108.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H](CC)CC(=O)[O-]	REAL300017549415	0	39	-2.0	-105.89	318.66	5.94	-99.95
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017549416	0	34	-2.0	-116.08	296.14	3.64	-112.44
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300017549417	0	33	-2.0	-104.40	305.19	3.76	-100.64
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-]	REAL300017549418	0	36	-2.0	-111.56	309.59	4.39	-107.17
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017549419	0	33	-2.0	-108.23	306.83	5.29	-102.94
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300017549420	0	36	-2.0	-116.78	296.35	4.97	-111.81
CCC1=CC=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017549421	0	39	-2.0	-107.30	329.85	5.20	-102.10
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300017549422	0	36	-2.0	-105.78	312.58	4.62	-101.16
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017549423	0	33	-2.0	-96.51	304.95	5.40	-91.11
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017549424	0	36	-2.0	-102.37	325.78	4.82	-97.55
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300017549430	1	36	-2.0	-133.89	309.85	2.70	-131.19
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300017549450	1	33	-2.0	-116.00	297.69	2.47	-113.53
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017549451	1	32	-2.0	-113.64	305.67	5.45	-108.19
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017549474	1	30	-2.0	-111.71	279.85	3.92	-107.79
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017549514	1	33	-2.0	-119.17	299.03	4.18	-114.99
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017549515	1	33	-2.0	-126.59	314.19	5.78	-120.81
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](CC)CC(=O)[O-])C(F)=C1	REAL300017549516	1	44	-2.0	-100.27	377.47	2.58	-97.69
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F	REAL300017549546	1	33	-2.0	-130.09	296.89	4.34	-125.75
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017549551	1	30	-2.0	-120.72	284.01	4.32	-116.40
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300017549556	1	33	-2.0	-106.33	309.66	-0.13	-106.46
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300017549557	0	33	-2.0	-114.53	296.95	4.53	-110.00
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017549574	1	27	-2.0	-111.05	288.96	3.59	-107.46
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC)CC(=O)[O-]	REAL300017549582	1	36	-2.0	-139.64	317.03	2.18	-137.46
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017549604	1	32	-2.0	-128.19	289.33	5.68	-122.51
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017549610	0	30	-2.0	-108.70	294.22	3.86	-104.84
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC	REAL300017549620	1	34	-2.0	-123.79	300.57	4.15	-119.64
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017549637	0	30	-2.0	-119.11	289.31	4.26	-114.85
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017549648	1	30	-2.0	-112.03	293.13	5.10	-106.93
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017549652	0	30	-2.0	-119.03	287.20	3.84	-115.19
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017549683	1	30	-2.0	-112.98	307.31	5.21	-107.77
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017549689	0	30	-2.0	-113.02	294.27	4.46	-108.56
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017549691	1	30	-2.0	-112.21	294.30	4.46	-107.75
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017549692	1	30	-2.0	-111.64	279.99	3.92	-107.72
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017549701	0	30	-2.0	-121.42	277.81	4.06	-117.36
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F	REAL300017549722	0	37	-2.0	-126.66	345.89	3.15	-123.51
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1	REAL300017549728	1	33	-2.0	-112.86	321.23	3.14	-109.72
CC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300017550006	0	45	-2.0	-107.12	378.14	1.12	-106.00
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017550008	1	29	-2.0	-109.72	285.61	2.89	-106.83
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017550031	1	30	-2.0	-113.62	303.40	4.88	-108.74
CC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017550034	1	30	-2.0	-110.04	294.99	4.81	-105.23
COC(=O)[C@@H]1CC2(CC2)CC[C@@H]1NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017563041	0	45	-2.0	-107.65	381.50	5.32	-102.33
CCN(CC(=O)OCC1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017563072	0	44	-2.0	-117.12	391.95	7.73	-109.39
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCOCC(C3CC3)C2)=C1	REAL300017563162	0	42	-2.0	-119.61	356.07	6.04	-113.57
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCOCC(C3CC3)C2)=C1	REAL300017563164	0	40	-2.0	-110.10	334.05	4.27	-105.83
CCN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017563173	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-]	REAL300017563174	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	REAL300017563175	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	REAL300017563176	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	REAL300017563178	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	REAL300017563179	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	REAL300017563180	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-]	REAL300017563181	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	REAL300017563182	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	REAL300017563183	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	REAL300017563184	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-]	REAL300017563185	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	REAL300017563186	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-]	REAL300017563187	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-]	REAL300017563188	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	REAL300017563189	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	REAL300017563190	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	REAL300017563191	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-]	REAL300017563192	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-]	REAL300017563193	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-]	REAL300017563194	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	REAL300017563195	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	REAL300017563196	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	REAL300017563348	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	REAL300017563350	0	34	-2.0	-122.04	301.93	5.73	-116.31
CN(CCCCC(=O)[O-])S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017588037	0	43	-2.0	-99.66	371.91	8.09	-91.57
CCC1=C(S(=O)(=O)N(C)CCCCC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017588050	0	39	-2.0	-105.01	352.41	6.10	-98.91
CCN1C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017588056	0	36	-2.0	-98.14	321.13	2.78	-95.36
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588057	0	41	-2.0	-106.92	346.23	4.41	-102.51
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588058	0	42	-2.0	-101.61	346.77	5.06	-96.55
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588059	0	39	-2.0	-105.80	338.82	4.30	-101.50
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588061	0	32	-2.0	-89.61	299.74	2.93	-86.68
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300017588062	0	32	-2.0	-101.94	307.22	2.74	-99.20
O=C([O-])C1=CC=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588063	0	32	-2.0	-98.64	293.11	2.56	-96.08
CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017588064	0	35	-2.0	-106.66	314.67	2.98	-103.68
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1	REAL300017588065	0	32	-2.0	-91.86	294.16	2.50	-89.36
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1C	REAL300017588066	0	38	-2.0	-106.61	326.62	3.79	-102.82
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])S1	REAL300017588067	0	32	-2.0	-98.68	309.88	2.30	-96.38
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588068	0	35	-2.0	-105.34	308.96	3.40	-101.94
O=C([O-])C1=CSC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588069	0	29	-2.0	-96.50	287.57	1.53	-94.97
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588070	0	38	-2.0	-101.49	325.84	4.29	-97.20
CN1C=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017588071	0	33	-2.0	-99.93	299.75	1.92	-98.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C1	REAL300017588072	0	32	-2.0	-91.80	303.25	2.00	-89.80
CC1=C(C(=O)[O-])C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C(C)O1	REAL300017588073	0	35	-2.0	-116.34	304.39	2.68	-113.66
O=C([O-])C1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=C(Cl)C=C1F	REAL300017588074	0	32	-2.0	-88.62	304.17	2.93	-85.69
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588075	0	35	-2.0	-98.94	303.71	3.12	-95.82
CCC1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017588076	0	38	-2.0	-103.11	328.55	3.64	-99.47
CC1=CC(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])=CC=C1C(=O)[O-]	REAL300017588077	0	35	-2.0	-93.68	311.00	2.90	-90.78
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300017588078	0	32	-2.0	-89.25	310.99	3.24	-86.01
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300017588079	0	35	-2.0	-92.58	324.85	3.16	-89.42
CN1C=C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])C(=O)N(C)C1=O	REAL300017588086	1	35	-2.0	-119.19	307.74	0.73	-118.46
CN1C=C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300017588115	1	32	-2.0	-114.04	298.87	0.72	-113.32
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017588117	1	31	-2.0	-109.45	303.78	3.73	-105.72
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017588145	1	29	-2.0	-109.60	278.61	1.97	-107.63
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300017588150	0	29	-2.0	-123.36	268.90	2.07	-121.29
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300017588173	1	29	-2.0	-114.49	272.00	1.92	-112.57
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017588188	1	32	-2.0	-113.01	296.33	2.25	-110.76
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017588189	1	32	-2.0	-117.08	312.43	3.89	-113.19
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300017588196	1	26	-2.0	-111.89	264.97	1.51	-110.38
CC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])C(F)=C1	REAL300017588222	1	32	-2.0	-121.77	289.07	2.89	-118.88
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017588228	1	29	-2.0	-114.67	282.33	2.37	-112.30
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])S1	REAL300017588233	1	32	-2.0	-89.77	307.48	-1.68	-91.45
CC1=C(S(=O)(=O)N[C@@H]2COC[C@@H]2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017588235	0	32	-2.0	-99.59	303.51	2.45	-97.14
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017588254	1	26	-2.0	-106.20	283.37	1.92	-104.28
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588262	1	35	-2.0	-128.77	313.11	0.48	-128.29
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017588287	1	31	-2.0	-121.78	300.32	3.78	-118.00
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017588294	0	29	-2.0	-103.79	289.68	2.15	-101.64
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H]1COC[C@@H]1C(=O)[O-]	REAL300017588303	1	33	-2.0	-116.41	297.53	2.26	-114.15
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017588324	0	29	-2.0	-114.03	282.59	2.72	-111.31
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017588334	1	29	-2.0	-104.72	289.15	3.31	-101.41
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017588338	0	29	-2.0	-111.67	280.93	2.20	-109.47
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017588371	1	29	-2.0	-105.86	299.49	3.74	-102.12
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017588378	0	29	-2.0	-107.21	293.03	2.51	-104.70
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017588380	1	29	-2.0	-106.02	292.73	2.61	-103.41
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017588381	1	29	-2.0	-104.94	278.43	2.07	-102.87
O=C([O-])[C@H]1COC[C@H]1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017588394	0	29	-2.0	-111.34	274.06	2.28	-109.06
CN1C=NC(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])=C1Cl	REAL300017588409	1	29	-2.0	-123.90	278.74	1.39	-122.51
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])C(F)=C1Cl	REAL300017588416	0	36	-2.0	-122.02	338.34	1.67	-120.35
COC(=O)C1=CC(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C(=O)[O-])=C(Br)O1	REAL300017588422	1	32	-2.0	-104.21	319.58	1.28	-102.93
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017613005	0	28	-2.0	-108.44	286.73	0.78	-107.66
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017613016	1	28	-2.0	-100.01	294.39	1.29	-98.72
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017613020	0	28	-2.0	-104.41	285.46	0.32	-104.09
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017613052	1	28	-2.0	-100.82	304.72	1.72	-99.10
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017613058	0	28	-2.0	-100.31	296.87	0.64	-99.67
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017613060	1	28	-2.0	-100.11	296.88	0.64	-99.47
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017613061	1	28	-2.0	-99.37	282.58	0.09	-99.28
O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017613071	0	28	-2.0	-105.02	279.30	0.26	-104.76
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])C(F)=C1Cl	REAL300017613091	0	35	-2.0	-113.43	342.19	-0.29	-113.72
COC(=O)C1=CC(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])=C(Br)O1	REAL300017613097	1	31	-2.0	-98.72	323.72	-0.69	-99.41
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])S1	REAL300017614126	1	34	-2.0	-100.67	315.58	1.15	-99.52
CC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017614128	0	34	-2.0	-119.61	305.58	4.96	-114.65
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C(C(=O)[O-])=C1	REAL300017615006	0	38	-2.0	-115.80	346.08	6.17	-109.63
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017615013	0	32	-2.0	-106.61	309.77	4.68	-101.93
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(C(=O)[O-])=C1F	REAL300017615073	0	34	-2.0	-121.14	307.84	5.55	-115.59
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC(F)=C(F)C(C(=O)[O-])=C1	REAL300017615074	0	34	-2.0	-110.33	313.13	5.70	-104.63
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=C1	REAL300017615104	1	37	-2.0	-103.61	332.84	2.57	-101.04
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])=N[N-]1	REAL300017615104	1	37	-2.0	-103.47	332.89	2.57	-100.90
O=C([O-])C[C@H]1CCCN1S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017615181	0	41	-2.0	-117.06	346.58	7.21	-109.85
CCC1=C(S(=O)(=O)N2CCC[C@@H]2CC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017615193	0	37	-2.0	-110.47	319.79	5.25	-105.22
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300017615198	0	37	-2.0	-112.18	314.39	4.70	-107.48
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300017615199	0	42	-2.0	-107.78	335.96	6.14	-101.64
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017615200	0	43	-2.0	-108.23	341.13	6.91	-101.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017615201	0	40	-2.0	-107.71	330.93	6.11	-101.60
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017615203	0	33	-2.0	-99.86	299.85	4.86	-95.00
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017615204	0	33	-2.0	-101.00	299.01	4.93	-96.07
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017615205	0	33	-2.0	-104.15	286.51	4.53	-99.62
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300017615206	0	36	-2.0	-115.18	301.31	5.10	-110.08
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017615207	0	33	-2.0	-99.25	286.17	4.55	-94.70
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300017615208	0	39	-2.0	-106.91	317.89	5.44	-101.47
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017615209	0	33	-2.0	-104.62	300.38	4.54	-100.08
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300017615210	0	36	-2.0	-104.51	300.09	4.98	-99.53
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017615211	0	30	-2.0	-100.88	278.80	3.63	-97.25
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC)CC(=O)[O-]	REAL300017615212	0	39	-2.0	-108.83	317.27	5.50	-103.33
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017615213	0	34	-2.0	-103.00	293.46	3.84	-99.16
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300017615214	0	33	-2.0	-102.34	294.71	4.29	-98.05
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-]	REAL300017615215	0	36	-2.0	-127.77	296.70	4.51	-123.26
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017615216	0	33	-2.0	-99.66	304.47	4.89	-94.77
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300017615217	0	36	-2.0	-117.20	295.55	4.80	-112.40
CCC1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017615218	0	39	-2.0	-104.89	320.52	5.71	-99.18
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300017615219	0	36	-2.0	-99.87	303.66	5.14	-94.73
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017615220	0	33	-2.0	-102.99	302.82	5.00	-97.99
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017615221	0	36	-2.0	-97.94	316.31	5.35	-92.59
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300017615227	1	36	-2.0	-119.36	309.94	2.68	-116.68
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300017615247	1	33	-2.0	-118.16	305.63	2.24	-115.92
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017615248	1	32	-2.0	-114.97	313.22	5.64	-109.33
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017615271	1	30	-2.0	-113.31	285.06	3.58	-109.73
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017615311	1	33	-2.0	-122.36	299.17	4.17	-118.19
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017615312	1	33	-2.0	-127.42	314.27	5.77	-121.65
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C(F)=C1	REAL300017615313	1	44	-2.0	-99.67	366.84	2.35	-97.32
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F	REAL300017615343	1	33	-2.0	-130.12	296.90	4.35	-125.77
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017615348	1	30	-2.0	-124.37	285.21	4.30	-120.07
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300017615353	1	33	-2.0	-98.20	298.78	0.36	-97.84
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300017615354	0	33	-2.0	-103.97	294.22	4.17	-99.80
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017615371	1	27	-2.0	-112.64	285.80	3.86	-108.78
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](CC)CC(=O)[O-]	REAL300017615379	1	36	-2.0	-139.66	317.13	2.17	-137.49
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017615401	1	32	-2.0	-125.07	307.35	5.58	-119.49
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017615407	0	30	-2.0	-108.70	294.24	3.87	-104.83
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC	REAL300017615417	1	34	-2.0	-125.27	304.63	3.84	-121.43
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017615434	0	30	-2.0	-127.55	285.33	4.57	-122.98
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017615445	1	30	-2.0	-111.65	296.99	4.78	-106.87
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017615449	0	30	-2.0	-118.16	288.50	3.75	-114.41
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017615480	1	30	-2.0	-112.93	307.33	5.21	-107.72
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017615486	0	30	-2.0	-116.22	295.49	4.44	-111.78
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017615488	1	30	-2.0	-112.27	299.94	4.08	-108.19
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017615489	1	30	-2.0	-111.44	285.64	3.55	-107.89
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017615498	0	30	-2.0	-119.20	281.90	3.74	-115.46
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F	REAL300017615519	0	37	-2.0	-127.39	340.28	3.54	-123.85
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1	REAL300017615525	1	33	-2.0	-109.71	322.38	3.11	-106.60
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCOCCC(=O)[O-])C(F)=C1	REAL300017617004	0	32	-2.0	-97.74	317.93	2.60	-95.14
O=C([O-])CCOCC[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017617021	1	30	-2.0	-90.84	314.07	1.11	-89.73
O=C([O-])CCOCC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017617046	1	31	-2.0	-95.00	323.79	3.05	-91.95
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=C1F	REAL300017619038	0	38	-2.0	-102.58	335.87	4.04	-98.54
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=C1	REAL300017619049	0	38	-3.0	-166.91	336.98	1.89	-165.02
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=C1	REAL300017619049	1	39	-2.0	-96.56	335.68	2.34	-94.22
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=C1	REAL300017619050	0	37	-2.0	-90.03	332.94	2.24	-87.79
CC1=C(S(=O)(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C(C(=O)[O-])=NN1	REAL300017619051	0	38	-2.0	-101.99	326.10	0.95	-101.04
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=C1	REAL300017619123	1	41	-2.0	-85.23	364.93	1.23	-84.00
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)=N[N-]1	REAL300017619123	1	41	-2.0	-85.21	365.03	1.23	-83.98
CCC1=C(S(=O)(=O)N2CCC(O)(C(F)(F)C(=O)[O-])CC2)C=C(C(=O)[O-])O1	REAL300017619217	0	41	-2.0	-93.80	352.66	3.72	-90.08
CCN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017619222	0	38	-2.0	-116.93	333.07	4.89	-112.04
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619223	0	43	-2.0	-107.26	355.64	6.63	-100.63
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C1CC1	REAL300017619224	0	44	-2.0	-107.18	355.75	7.15	-100.03
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C1CC1	REAL300017619225	0	41	-2.0	-107.07	346.88	6.58	-100.49
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C1CC1	REAL300017619227	0	34	-2.0	-110.72	311.85	5.85	-104.87
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C1CC1	REAL300017619228	0	34	-2.0	-105.13	321.48	5.23	-99.90
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1CC1	REAL300017619229	0	34	-2.0	-116.14	308.70	4.81	-111.33
CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017619230	0	37	-2.0	-115.79	324.70	5.36	-110.43
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300017619231	0	34	-2.0	-105.67	307.64	4.79	-100.88
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1C	REAL300017619232	0	40	-2.0	-105.49	336.89	5.98	-99.51
O=C([O-])CC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)S1	REAL300017619233	0	34	-2.0	-98.03	323.90	4.80	-93.23
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619234	0	37	-2.0	-103.39	315.80	5.45	-97.94
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1CC1	REAL300017619235	0	31	-2.0	-111.60	291.28	4.31	-107.29
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619236	0	40	-2.0	-104.48	338.37	6.41	-98.07
CN1C=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017619237	0	35	-2.0	-115.99	315.99	4.16	-111.83
CC1=C(C(=O)[O-])SC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C1	REAL300017619238	0	34	-2.0	-106.16	306.91	4.98	-101.18
CC1=C(C(=O)[O-])C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=C(C)O1	REAL300017619239	0	37	-2.0	-123.91	315.91	4.94	-118.97
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C1CC1	REAL300017619240	0	34	-2.0	-107.97	309.88	6.04	-101.93
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N[C@H](CC(=O)[O-])C1CC1	REAL300017619241	0	37	-2.0	-116.53	310.67	5.32	-111.21
CCC1=CC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C1C(=O)[O-]	REAL300017619242	0	40	-2.0	-108.31	343.25	6.03	-102.28
CC1=CC(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)=CC=C1C(=O)[O-]	REAL300017619243	0	37	-2.0	-106.13	315.18	5.42	-100.71
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)C1CC1	REAL300017619244	0	34	-2.0	-103.13	311.31	5.91	-97.22
O=C([O-])C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C1CC1	REAL300017619245	0	37	-2.0	-104.54	327.59	6.01	-98.53
CN1C=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)C(=O)N(C)C1=O	REAL300017619252	1	37	-2.0	-136.27	312.87	3.91	-132.36
CN1C=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300017619280	1	34	-2.0	-120.16	299.21	3.68	-116.48
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C1CC1	REAL300017619282	1	33	-2.0	-113.18	313.57	6.26	-106.92
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C1CC1	REAL300017619309	1	31	-2.0	-115.85	281.50	5.17	-110.68
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1CC1	REAL300017619314	0	31	-2.0	-136.81	273.23	5.16	-131.65
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C1CC1	REAL300017619337	1	31	-2.0	-122.80	287.94	4.46	-118.34
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC1	REAL300017619352	1	34	-2.0	-119.55	312.22	4.79	-114.76
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C1CC1	REAL300017619353	1	34	-2.0	-128.60	317.52	7.13	-121.47
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C1CC1	REAL300017619360	1	28	-2.0	-120.41	284.01	3.79	-116.62
CC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300017619387	1	34	-2.0	-131.76	305.94	5.26	-126.50
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C1CC1	REAL300017619392	1	31	-2.0	-122.32	298.27	4.91	-117.41
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)S1	REAL300017619397	1	34	-2.0	-108.13	314.25	0.76	-107.37
CC1=C(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)C=C(C(=O)[O-])S1	REAL300017619399	0	34	-2.0	-103.46	314.40	4.70	-98.76
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C1CC1	REAL300017619418	1	28	-2.0	-114.22	298.88	4.48	-109.74
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](CC(=O)[O-])C1CC1	REAL300017619426	1	37	-2.0	-142.32	319.32	3.30	-139.02
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C1CC1	REAL300017619451	1	33	-2.0	-124.32	296.21	6.71	-117.61
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C1CC1	REAL300017619458	0	31	-2.0	-114.61	291.13	5.35	-109.26
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H](CC(=O)[O-])C1CC1	REAL300017619467	1	35	-2.0	-128.31	301.53	5.21	-123.10
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C1CC1	REAL300017619489	0	31	-2.0	-119.83	298.37	5.19	-114.64
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C1CC1	REAL300017619499	1	31	-2.0	-115.89	292.22	6.20	-109.69
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C1CC1	REAL300017619503	0	31	-2.0	-120.27	297.11	4.73	-115.54
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C1CC1	REAL300017619536	1	31	-2.0	-117.16	302.56	6.63	-110.53
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C1CC1	REAL300017619543	0	31	-2.0	-118.73	294.20	5.51	-113.22
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C1CC1	REAL300017619545	1	31	-2.0	-113.71	308.53	5.06	-108.65
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C1CC1	REAL300017619546	1	31	-2.0	-113.21	294.23	4.51	-108.70
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C1CC1	REAL300017619559	0	31	-2.0	-124.95	279.61	5.24	-119.71
CN1C=NC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)=C1Cl	REAL300017619574	1	31	-2.0	-134.14	285.04	4.46	-129.68
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)C(F)=C1Cl	REAL300017619581	0	38	-2.0	-129.43	353.88	4.13	-125.30
COC(=O)C1=CC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)=C(Br)O1	REAL300017619587	1	34	-2.0	-114.46	335.34	3.72	-110.74
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017626006	1	31	-2.0	-113.30	314.02	3.22	-110.08
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017626010	0	31	-2.0	-121.61	304.67	2.30	-119.31
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017626041	1	31	-2.0	-114.62	324.35	3.65	-110.97
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017626048	0	31	-2.0	-116.88	316.82	2.57	-114.31
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017626050	1	31	-2.0	-116.43	316.50	2.56	-113.87
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017626051	1	31	-2.0	-115.02	302.20	2.01	-113.01
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017626064	0	31	-2.0	-121.38	298.70	2.23	-119.15
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300017626080	1	31	-2.0	-132.86	301.26	1.62	-131.24
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300017626123	1	32	-2.0	-114.62	330.27	2.80	-111.82
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300017626129	1	37	-2.0	-120.20	353.90	2.83	-117.37
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300017626150	1	37	-2.0	-121.46	341.28	1.27	-120.19
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300017626168	1	37	-2.0	-119.69	343.58	2.39	-117.30
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300017626240	1	34	-2.0	-120.41	323.12	0.69	-119.72
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017626242	0	33	-2.0	-135.93	309.35	3.69	-132.24
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017626245	1	31	-2.0	-129.66	303.92	2.77	-126.89
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017626253	0	33	-2.0	-118.09	333.89	4.66	-113.43
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](COC)CC(=O)[O-])O1	REAL300017626266	1	37	-2.0	-120.95	344.98	1.62	-119.33
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017626271	1	34	-2.0	-127.12	319.15	3.82	-123.30
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017626272	1	33	-2.0	-124.12	318.42	4.24	-119.88
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017626275	1	28	-2.0	-121.34	296.61	1.40	-119.94
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017626280	1	30	-2.0	-114.50	313.50	1.15	-113.35
CCN1C=C(S(=O)(=O)[N-][C@@H](COC)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300017626284	1	36	-2.0	-129.64	328.44	2.93	-126.71
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017626285	1	33	-2.0	-126.79	311.70	3.06	-123.73
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017626288	1	33	-2.0	-124.63	316.35	4.13	-120.50
COC[C@@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017626290	1	39	-2.0	-97.76	358.37	-0.38	-98.14
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017626310	1	33	-2.0	-128.85	317.20	4.16	-124.69
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H](COC)CC(=O)[O-])C(=O)NC1=O	REAL300017626331	1	49	-2.0	-132.02	420.12	2.58	-129.44
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017626337	1	28	-2.0	-120.39	287.95	0.63	-119.76
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017626339	1	28	-2.0	-114.38	310.98	2.17	-112.21
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017626353	0	32	-2.0	-120.26	313.08	2.56	-117.70
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017626370	1	30	-2.0	-110.11	309.31	1.03	-109.08
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017626395	1	31	-2.0	-115.20	317.62	3.03	-112.17
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CCOCC1	REAL300017634002	0	41	-2.0	-110.70	349.37	4.45	-106.25
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CCOCC1	REAL300017634003	0	46	-2.0	-105.64	386.09	4.67	-100.97
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CCOCC1	REAL300017634004	0	45	-2.0	-122.05	379.63	4.12	-117.93
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1CC(=O)[O-]	REAL300017634005	0	45	-2.0	-110.06	383.45	3.78	-106.28
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1C(=O)[O-]	REAL300017634006	0	44	-2.0	-122.35	361.09	4.84	-117.51
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CCOCC1	REAL300017634007	0	42	-2.0	-121.21	352.33	2.49	-118.72
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1C(=O)[O-]	REAL300017634008	0	45	-2.0	-114.88	382.12	4.63	-110.25
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=CS1	REAL300017634009	0	35	-2.0	-105.54	322.21	2.60	-102.94
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C(C(=O)[O-])O1	REAL300017634010	0	38	-2.0	-110.85	333.70	2.63	-108.22
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=CC=C1OCC(=O)[O-]	REAL300017634011	0	45	-2.0	-99.90	384.13	4.64	-95.26
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C(C)=C1C(=O)[O-]	REAL300017634012	0	44	-2.0	-103.80	362.57	5.07	-98.73
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCOCC1	REAL300017634013	0	41	-2.0	-102.57	344.15	4.40	-98.17
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300017634014	0	38	-2.0	-103.01	341.45	3.73	-99.28
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C(Cl)=C1	REAL300017634015	0	38	-2.0	-96.67	342.60	4.08	-92.59
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1F	REAL300017634016	0	38	-2.0	-99.77	332.89	3.50	-96.27
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CCOCC1	REAL300017634017	0	41	-2.0	-111.99	358.12	4.82	-107.17
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=CC(Cl)=C1F	REAL300017634018	0	38	-2.0	-111.60	355.75	4.20	-107.40
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=CC(F)=C1Cl	REAL300017634019	0	38	-2.0	-105.53	349.06	4.02	-101.51
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1F	REAL300017634020	0	41	-2.0	-108.79	354.95	4.25	-104.54
O=C([O-])C([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CCOCC1	REAL300017634039	1	38	-2.0	-139.67	328.79	3.77	-135.90
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CCOCC1	REAL300017634076	0	42	-2.0	-114.10	357.34	3.36	-110.74
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=CC=C1O	REAL300017634077	0	39	-2.0	-120.64	343.84	1.71	-118.93
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300017634078	0	42	-2.0	-99.50	362.25	4.89	-94.61
O=C([O-])CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300017634079	0	44	-2.0	-96.31	374.36	5.18	-91.13
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300017634080	0	38	-2.0	-105.57	332.24	3.59	-101.98
O=C([O-])CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300017634081	0	41	-2.0	-98.93	352.96	4.37	-94.56
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1C(=O)[O-]	REAL300017634082	0	42	-2.0	-125.12	355.09	3.56	-121.56
O=C([O-])COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300017634083	0	42	-2.0	-100.35	366.12	3.94	-96.41
O=C([O-])COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1F	REAL300017634084	0	42	-2.0	-100.26	372.34	4.00	-96.26
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C(F)=C1	REAL300017634085	0	38	-2.0	-96.43	335.06	3.58	-92.85
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1Cl	REAL300017634086	0	38	-2.0	-97.59	340.86	3.85	-93.74
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300017634087	0	41	-2.0	-123.19	354.19	4.24	-118.95
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300017634088	0	46	-2.0	-97.41	398.79	5.06	-92.35
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300017634089	0	38	-2.0	-102.15	341.05	3.67	-98.48
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)=C1	REAL300017634089	1	37	-3.0	-200.07	333.25	4.04	-196.03
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=CC(C(=O)[O-])=C1C	REAL300017634090	0	44	-2.0	-112.76	372.54	4.85	-107.91
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300017634091	0	40	-2.0	-105.24	363.23	4.32	-100.92
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=CC(C(=O)[O-])=C1F	REAL300017634092	0	41	-2.0	-108.49	355.55	4.22	-104.27
CC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1C(=O)[O-]	REAL300017634093	0	41	-2.0	-107.30	350.84	4.15	-103.15
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1Cl	REAL300017634094	0	41	-2.0	-106.39	357.26	4.66	-101.73
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=CC(C(=O)[O-])=C1Cl	REAL300017634095	0	41	-2.0	-106.06	361.95	4.52	-101.54
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CCOCC1	REAL300017634096	0	41	-2.0	-95.45	355.40	4.76	-90.69
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C([N+](=O)[O-])=C1	REAL300017634097	0	40	-2.0	-93.62	346.80	5.00	-88.62
O=C([O-])C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)S1	REAL300017634098	0	35	-2.0	-103.86	321.11	2.61	-101.25
O=C([O-])CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300017634099	0	41	-2.0	-101.53	355.16	4.42	-97.11
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=CC=C1[N+](=O)[O-]	REAL300017634100	0	40	-2.0	-120.02	359.54	4.74	-115.28
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C(C)=C1CC(=O)[O-]	REAL300017634101	0	50	-2.0	-105.42	389.99	6.16	-99.26
O=C([O-])C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1[N+](=O)[O-]	REAL300017634102	0	40	-2.0	-106.38	353.05	5.30	-101.08
CC1=C(Cl)C=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1C(=O)[O-]	REAL300017634103	0	41	-2.0	-111.20	364.45	4.63	-106.57
CC1=C(F)C=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C1C(=O)[O-]	REAL300017634104	0	41	-2.0	-109.92	355.64	4.25	-105.67
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=CC2=CC=CC=C21	REAL300017634105	0	44	-2.0	-126.07	374.02	5.79	-120.28
COC(=O)C1=COC(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)=C1	REAL300017634111	1	38	-2.0	-131.83	338.92	2.12	-129.71
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)SC=N1	REAL300017634144	0	37	-2.0	-138.67	333.23	1.09	-137.58
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C1CCOCC1	REAL300017634154	1	35	-2.0	-139.40	315.08	4.13	-135.27
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C1CCOCC1	REAL300017634160	1	34	-2.0	-127.92	312.03	2.76	-125.16
N#CC1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)O1	REAL300017634181	1	33	-2.0	-126.19	302.97	1.93	-124.26
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)=C(Br)N1C	REAL300017634185	1	38	-2.0	-146.02	333.66	2.83	-143.19
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)=N1	REAL300017634202	0	37	-2.0	-152.12	327.41	2.30	-149.82
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C(F)C(F)=C1F	REAL300017634209	0	38	-2.0	-101.11	345.79	3.64	-97.47
O=C([O-])C1=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)=C(F)C(F)=C1F	REAL300017634209	1	37	-3.0	-195.99	339.90	3.96	-192.03
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CCOCC1	REAL300017634211	0	42	-2.0	-101.91	357.24	3.34	-98.57
O=C([O-])C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1F	REAL300017634212	0	38	-2.0	-104.09	332.65	3.56	-100.53
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300017634225	0	40	-3.0	-178.33	356.80	4.00	-174.33
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300017634226	0	42	-2.0	-103.01	358.17	2.64	-100.37
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300017634227	0	38	-3.0	-203.34	335.35	2.15	-201.19
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300017634227	1	39	-2.0	-115.41	338.36	1.31	-114.10
O=C([O-])C1=CC=NC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300017634228	0	37	-2.0	-98.83	324.75	2.36	-96.47
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C(C(=O)[O-])=NN1	REAL300017634229	0	38	-2.0	-140.38	318.81	1.27	-139.11
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CCOCC1	REAL300017634230	0	41	-2.0	-119.36	348.09	4.48	-114.88
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C(Cl)O1	REAL300017634231	0	35	-2.0	-102.08	329.74	2.46	-99.62
O=C([O-])C([N-]S(=O)(=O)C1=C(Br)C=CO1)C1CCOCC1	REAL300017634234	0	32	-2.0	-132.62	300.80	2.07	-130.55
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1CCOCC1	REAL300017634244	1	39	-2.0	-138.27	335.46	3.82	-134.45
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C1CCOCC1	REAL300017634267	1	38	-2.0	-144.24	322.46	2.43	-141.81
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCOCC1	REAL300017634269	0	36	-2.0	-107.41	337.47	2.68	-104.73
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1F	REAL300017634330	0	38	-2.0	-121.96	337.34	3.61	-118.35
O=C([O-])C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=CC(F)=C1F	REAL300017634331	0	38	-2.0	-107.83	341.52	3.67	-104.16
O=C([O-])C([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C1CCOCC1	REAL300017634338	1	37	-2.0	-124.05	334.05	2.64	-121.41
O=C([O-])C([N-]S(=O)(=O)C1=CC=C(Cl)O1)C1CCOCC1	REAL300017634339	1	32	-2.0	-125.73	292.78	1.98	-123.75
O=C([O-])C([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C1CCOCC1	REAL300017634346	1	35	-2.0	-126.28	320.55	3.97	-122.31
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300017634357	1	41	-2.0	-113.78	357.83	0.98	-112.80
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)=N[N-]1	REAL300017634357	1	41	-2.0	-113.77	358.00	0.98	-112.79
O=C([O-])C([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C1CCOCC1	REAL300017634386	1	32	-2.0	-124.23	320.36	3.37	-120.86
N#CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOCC2)OC=C1	REAL300017634393	1	33	-2.0	-133.91	301.71	1.85	-132.06
O=C([O-])C(NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C1CCOCC1	REAL300017634449	0	45	-2.0	-102.65	373.30	5.38	-97.27
O=C([O-])C([N-]S(=O)(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1CCOCC1	REAL300017634453	1	42	-2.0	-135.75	363.24	4.34	-131.41
CCC1=C(S(=O)(=O)NC(C(=O)[O-])C2CCOCC2)C=C(C(=O)[O-])O1	REAL300017634463	0	41	-2.0	-111.57	354.33	3.40	-108.17
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300017634469	0	40	-2.0	-104.18	325.98	6.54	-97.64
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300017634470	0	45	-2.0	-120.78	354.73	8.50	-112.28
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017634471	0	46	-2.0	-112.03	362.13	8.28	-103.75
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017634472	0	43	-2.0	-114.86	344.33	7.47	-107.39
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017634474	0	36	-2.0	-96.63	301.39	6.58	-90.05
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017634475	0	36	-2.0	-97.29	316.17	6.02	-91.27
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017634476	0	36	-2.0	-104.49	313.14	6.02	-98.47
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300017634477	0	39	-2.0	-100.43	319.55	6.24	-94.19
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017634478	0	36	-2.0	-94.25	304.02	5.70	-88.55
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300017634479	0	42	-2.0	-111.23	334.38	6.90	-104.33
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017634480	0	36	-2.0	-106.52	311.73	6.43	-100.09
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300017634481	0	39	-2.0	-110.19	316.53	6.32	-103.87
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017634482	0	33	-2.0	-96.25	297.37	4.76	-91.49
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(CC)C(CC)C(=O)[O-]	REAL300017634483	0	42	-2.0	-110.85	330.09	7.13	-103.72
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017634484	0	37	-2.0	-99.27	312.01	5.05	-94.22
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300017634485	0	36	-2.0	-95.34	316.66	5.52	-89.82
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-]	REAL300017634486	0	39	-2.0	-139.44	315.40	5.93	-133.51
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017634487	0	36	-2.0	-99.27	316.74	7.00	-92.27
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300017634488	0	39	-2.0	-109.95	315.10	6.39	-103.56
CCC1=CC=C(S(=O)(=O)N(CC)C(CC)C(=O)[O-])C=C1C(=O)[O-]	REAL300017634489	0	42	-2.0	-100.71	337.66	6.83	-93.88
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300017634490	0	39	-2.0	-94.08	319.69	6.22	-87.86
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017634491	0	36	-2.0	-98.53	319.31	6.30	-92.23
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017634492	0	39	-2.0	-91.23	334.26	6.51	-84.72
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300017634646	1	36	-2.0	-92.54	317.24	1.46	-91.08
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300017634648	0	36	-2.0	-108.64	311.18	5.53	-103.11
CCC(C(=O)[O-])N(CC)S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017635035	1	41	-2.0	-104.60	351.82	2.08	-102.52
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)S1	REAL300017643005	1	34	-2.0	-92.82	323.10	0.46	-92.36
CC1=C(S(=O)(=O)NCC2CC(C(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017643007	0	34	-2.0	-100.54	318.90	4.62	-95.92
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C1	REAL300017643026	1	28	-2.0	-99.21	302.07	3.86	-95.35
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1CC(C(=O)[O-])C1	REAL300017643034	1	37	-2.0	-120.31	332.10	2.30	-118.01
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C1	REAL300017643059	1	33	-2.0	-111.93	314.47	5.85	-106.08
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C1	REAL300017643066	0	31	-2.0	-95.82	306.47	4.19	-91.63
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1CC(C(=O)[O-])C1	REAL300017643075	1	35	-2.0	-109.47	316.89	4.19	-105.28
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300017643097	0	31	-2.0	-107.63	301.57	4.58	-103.05
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300017643107	1	31	-2.0	-99.65	309.23	5.09	-94.56
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300017643111	0	31	-2.0	-104.21	300.31	4.13	-100.08
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300017643144	1	31	-2.0	-100.58	319.56	5.53	-95.05
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300017643151	0	31	-2.0	-100.11	311.73	4.44	-95.67
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300017643153	1	31	-2.0	-100.00	311.72	4.44	-95.56
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300017643154	1	31	-2.0	-99.12	297.42	3.90	-95.22
O=C([O-])C1CC(C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300017643167	0	31	-2.0	-104.87	294.14	4.07	-100.80
CN1C=NC(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)=C1Cl	REAL300017643182	1	31	-2.0	-111.97	297.57	3.32	-108.65
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)C(F)=C1Cl	REAL300017643189	0	38	-2.0	-111.98	357.31	3.52	-108.46
COC(=O)C1=CC(S(=O)(=O)[N-]CC2CC(C(=O)[O-])C2)=C(Br)O1	REAL300017643195	1	34	-2.0	-98.32	338.57	3.11	-95.21
O=C([O-])C1=CN(C2CCN(S(=O)(=O)C3=CSC(C(=O)[O-])=C3)CC2)N=N1	REAL300017666287	0	37	-2.0	-114.28	351.08	3.91	-110.37
CC1=C(S(=O)(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C=C(C(=O)[O-])O1	REAL300017666288	0	40	-2.0	-107.25	359.38	3.80	-103.45
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300017666289	0	43	-2.0	-115.00	362.53	5.19	-109.81
O=C([O-])C1=CN(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3)CC2)N=N1	REAL300017666290	0	40	-2.0	-110.25	365.79	4.95	-105.30
O=C([O-])C1=CN(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(F)=C3)CC2)N=N1	REAL300017666291	0	40	-2.0	-116.40	363.92	4.92	-111.48
O=C([O-])C1=CN(C2CCN(S(=O)(=O)C3=CC=C(O)C(C(=O)[O-])=C3)CC2)N=N1	REAL300017666322	0	41	-2.0	-115.70	368.20	2.94	-112.76
O=C([O-])C1=CN(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3F)CC2)N=N1	REAL300017666323	0	40	-2.0	-106.11	360.23	4.80	-101.31
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C=C1	REAL300017666324	0	43	-2.0	-107.61	381.55	5.66	-101.95
O=C([O-])C1=CN(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3F)CC2)N=N1	REAL300017666325	0	40	-2.0	-110.39	360.08	4.80	-105.59
O=C([O-])C1=CN(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])S3)CC2)N=N1	REAL300017666326	0	37	-2.0	-111.86	351.62	4.00	-107.86
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)=C1	REAL300017666327	0	43	-2.0	-108.83	381.60	5.65	-103.18
O=C([O-])C1=CN(C2CCN(S(=O)(=O)C3=CC=CC(C(=O)[O-])=C3F)CC2)N=N1	REAL300017666406	0	40	-2.0	-120.84	358.32	4.75	-116.09
O=C([O-])C1=CN(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])CC2)N=N1	REAL300017666418	0	40	-3.0	-177.63	359.83	3.57	-174.06
O=C([O-])C1=CN(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3O)CC2)N=N1	REAL300017666418	1	41	-2.0	-110.53	358.20	3.08	-107.45
O=C([O-])C1=CN(C2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=N3)CC2)N=N1	REAL300017666419	0	39	-2.0	-104.76	356.31	2.97	-101.79
CC1=C(S(=O)(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C(C(=O)[O-])=NN1	REAL300017666420	0	40	-2.0	-112.41	349.08	2.62	-109.79
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)=C1	REAL300017666490	1	43	-2.0	-101.17	387.76	1.98	-99.19
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)=N[N-]1	REAL300017666490	1	43	-2.0	-101.15	387.86	1.97	-99.18
CCC1=C(S(=O)(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C=C(C(=O)[O-])O1	REAL300017666583	0	43	-2.0	-113.70	374.12	4.46	-109.24
CCN1C=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017666588	0	39	-2.0	-97.57	344.87	5.61	-91.96
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666589	0	44	-2.0	-115.74	366.10	7.34	-108.40
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)CC1	REAL300017666590	0	45	-2.0	-101.08	362.12	7.47	-93.61
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)CC1	REAL300017666591	0	42	-2.0	-98.60	352.28	7.00	-91.60
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)CC1	REAL300017666594	0	35	-2.0	-91.83	324.46	5.66	-86.17
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300017666595	0	35	-2.0	-95.13	329.47	5.79	-89.34
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300017666596	0	35	-2.0	-97.35	316.98	5.39	-91.96
CC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017666597	0	38	-2.0	-97.12	332.99	5.93	-91.19
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300017666598	0	35	-2.0	-97.88	317.90	5.39	-92.49
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1C	REAL300017666599	0	41	-2.0	-99.23	338.88	6.23	-93.00
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC(=O)[O-])S2)CC1	REAL300017666600	0	35	-2.0	-92.27	332.71	5.35	-86.92
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666601	0	38	-2.0	-98.77	321.61	5.68	-93.09
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300017666602	0	32	-2.0	-94.25	311.07	4.42	-89.83
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666603	0	41	-2.0	-100.69	349.77	7.21	-93.48
CN1C=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017666604	0	36	-2.0	-96.69	323.63	4.75	-91.94
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C1	REAL300017666605	0	35	-2.0	-91.06	326.16	5.07	-85.99
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=C(C)O1	REAL300017666606	0	38	-2.0	-105.30	327.61	5.59	-99.71
N#CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)CC1	REAL300017666607	0	35	-2.0	-91.75	327.83	5.60	-86.15
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C#N)(C(=O)[O-])CC1	REAL300017666608	0	38	-2.0	-98.53	322.27	5.71	-92.82
CCC1=CC=C(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C=C1C(=O)[O-]	REAL300017666609	0	41	-2.0	-97.28	351.19	6.58	-90.70
CC1=CC(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)=CC=C1C(=O)[O-]	REAL300017666610	0	38	-2.0	-91.08	332.94	5.94	-85.14
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300017692058	0	44	-2.0	-107.97	368.91	6.68	-101.29
CCC1=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C(C(=O)[O-])O1	REAL300017692072	0	40	-2.0	-114.70	348.10	4.23	-110.47
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1	REAL300017692078	0	38	-2.0	-98.72	345.31	6.27	-92.45
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300017692079	0	43	-2.0	-112.77	367.21	8.07	-104.70
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017692080	0	44	-2.0	-111.59	372.72	8.67	-102.92
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017692081	0	41	-2.0	-119.32	351.24	7.64	-111.68
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017692083	0	34	-2.0	-95.11	321.52	6.27	-88.84
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017692084	0	34	-2.0	-116.86	328.31	6.39	-110.47
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017692085	0	34	-2.0	-98.06	316.74	6.02	-92.04
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300017692086	0	37	-2.0	-120.43	331.82	6.53	-113.90
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017692087	0	34	-2.0	-96.57	316.72	6.04	-90.53
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300017692088	0	40	-2.0	-118.37	341.19	7.00	-111.37
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017692089	0	34	-2.0	-95.75	330.87	5.96	-89.79
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300017692090	0	37	-2.0	-116.75	324.58	6.48	-110.27
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017692091	0	31	-2.0	-111.29	309.42	5.03	-106.26
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300017692092	0	40	-2.0	-109.37	348.94	7.74	-101.63
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017692093	0	35	-2.0	-98.01	323.95	5.41	-92.60
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300017692094	0	34	-2.0	-100.13	326.25	5.72	-94.41
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-]	REAL300017692095	0	37	-2.0	-101.46	324.42	6.19	-95.27
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017692096	0	34	-2.0	-93.74	325.82	6.29	-87.45
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300017692097	0	37	-2.0	-99.46	326.68	6.71	-92.75
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300017692098	0	40	-2.0	-120.78	350.06	7.18	-113.60
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300017692099	0	37	-2.0	-98.61	331.78	6.55	-92.06
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017692100	0	34	-2.0	-94.53	322.06	6.37	-88.16
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017692101	0	37	-2.0	-100.23	345.88	6.80	-93.43
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300017692253	1	34	-2.0	-98.72	329.58	1.79	-96.93
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300017692255	0	34	-2.0	-113.97	319.22	5.71	-108.26
C=CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017692644	1	39	-2.0	-95.23	356.21	2.14	-93.09
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300017769026	1	31	-2.0	-100.35	314.68	5.84	-94.51
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300017769033	0	31	-2.0	-104.27	312.40	4.32	-99.95
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300017769035	1	31	-2.0	-103.98	312.40	4.32	-99.66
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300017769036	1	31	-2.0	-103.11	298.09	3.77	-99.34
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300017769049	0	31	-2.0	-104.48	289.25	4.37	-100.11
CN1C=NC(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)=C1Cl	REAL300017769064	1	31	-2.0	-113.10	291.38	3.59	-109.51
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)C(F)=C1Cl	REAL300017769071	0	38	-2.0	-120.63	355.69	3.34	-117.29
COC(=O)C1=CC(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)=C(Br)O1	REAL300017769077	1	34	-2.0	-106.30	336.97	2.94	-103.36
CO[C@@H](C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017787027	1	31	-2.0	-112.00	302.65	2.04	-109.96
CO[C@@H](C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300017787028	1	31	-2.0	-118.90	317.76	3.63	-115.27
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(F)=C1	REAL300017787029	1	42	-2.0	-105.62	380.17	0.19	-105.43
CO[C@@H](C[N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F)C(=O)[O-]	REAL300017787061	1	31	-2.0	-124.04	296.16	2.53	-121.51
CO[C@@H](C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017787066	1	28	-2.0	-116.48	288.70	2.15	-114.33
CO[C@@H](CNS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300017787071	1	31	-2.0	-96.04	310.36	-1.68	-97.72
CO[C@@H](CNS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017787072	0	31	-2.0	-108.89	305.92	2.46	-106.43
CO[C@@H](C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017787090	1	25	-2.0	-108.16	289.09	1.72	-106.44
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-]	REAL300017787098	1	34	-2.0	-130.53	319.32	0.17	-130.36
CO[C@@H](C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017787120	1	30	-2.0	-122.19	301.52	3.69	-118.50
CO[C@@H](C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300017787126	0	28	-2.0	-103.81	293.49	2.05	-101.76
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-]	REAL300017787136	1	32	-2.0	-118.85	304.14	2.05	-116.80
CO[C@@H](C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017787153	0	28	-2.0	-117.32	288.59	2.44	-114.88
CO[C@@H](C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017787164	1	28	-2.0	-108.62	296.47	2.95	-105.67
CO[C@@H](C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017787168	0	28	-2.0	-113.20	287.32	1.98	-111.22
CO[C@@H](C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017787200	1	28	-2.0	-109.61	306.58	3.38	-106.23
CO[C@@H](C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017787206	0	28	-2.0	-108.48	298.97	2.30	-106.18
CO[C@@H](C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017787208	1	28	-2.0	-108.44	298.96	2.30	-106.14
CO[C@@H](C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017787209	1	28	-2.0	-107.66	284.66	1.75	-105.91
CO[C@@H](C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017787219	0	28	-2.0	-114.33	281.38	1.93	-112.40
CO[C@@H](C[N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300017787239	0	35	-2.0	-121.88	344.34	1.36	-120.52
COC(=O)C1=CC(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])=C(Br)O1	REAL300017787245	1	31	-2.0	-106.39	325.81	0.97	-105.42
COC1=CC=C(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)C=C1C(=O)[O-]	REAL300017790001	0	37	-2.0	-127.69	333.21	2.42	-125.27
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1=O	REAL300017790002	0	37	-2.0	-106.90	336.98	2.64	-104.26
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)C1=O	REAL300017790003	0	37	-2.0	-106.08	343.22	2.71	-103.37
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)C1=O	REAL300017790004	0	33	-2.0	-108.02	311.40	2.42	-105.60
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)C1=O	REAL300017790005	0	33	-2.0	-106.06	318.42	2.76	-103.30
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)=C1	REAL300017790006	0	36	-2.0	-126.84	330.95	3.05	-123.79
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)C1=O	REAL300017790007	0	41	-2.0	-104.86	369.66	3.77	-101.09
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1=O	REAL300017790008	0	33	-2.0	-110.21	317.67	2.49	-107.72
CC1=CC(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)=CC(C(=O)[O-])=C1C	REAL300017790009	0	39	-2.0	-126.51	343.42	3.56	-122.95
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1=O	REAL300017790010	0	35	-2.0	-106.04	334.12	3.01	-103.03
COC1=CC(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)=C(Cl)C=C1C(=O)[O-]	REAL300017790011	0	37	-2.0	-110.59	346.24	2.94	-107.65
CC1=CC(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)=CC(C(=O)[O-])=C1F	REAL300017790012	0	36	-2.0	-120.29	330.75	3.01	-117.28
CC1=CC(F)=C(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)C=C1C(=O)[O-]	REAL300017790013	0	36	-2.0	-121.46	331.23	3.06	-118.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)=C1Cl	REAL300017790014	0	36	-2.0	-119.10	337.66	3.47	-115.63
CC1=CC(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)=CC(C(=O)[O-])=C1Cl	REAL300017790015	0	36	-2.0	-119.32	337.14	3.32	-116.00
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]N1C(=O)NC(C)(C)C1=O	REAL300017790016	0	36	-2.0	-111.03	332.18	3.46	-107.57
COC1=CC(Cl)=C(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)C=C1C(=O)[O-]	REAL300017790017	0	37	-2.0	-122.76	346.26	2.95	-119.81
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C1=O	REAL300017790018	0	35	-2.0	-106.65	326.93	3.46	-103.19
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)C1=O	REAL300017790019	0	30	-2.0	-110.28	298.20	1.51	-108.77
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C1=O	REAL300017790020	0	36	-2.0	-121.42	328.09	3.13	-118.29
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C1=O	REAL300017790021	0	35	-2.0	-119.28	332.48	3.45	-115.83
CC1=CC(C)=C(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)C(C)=C1CC(=O)[O-]	REAL300017790022	0	45	-2.0	-122.89	371.07	5.13	-117.76
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C1=O	REAL300017790023	0	35	-2.0	-128.88	329.65	4.08	-124.80
CC(C)(C)C1=C(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)C=C(C(=O)[O-])S1	REAL300017790024	0	42	-2.0	-118.64	355.67	4.17	-114.47
CC1=C(Cl)C=C(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)C=C1C(=O)[O-]	REAL300017790025	0	36	-2.0	-116.11	339.67	3.41	-112.70
CC1=C(F)C=C(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)C=C1C(=O)[O-]	REAL300017790026	0	36	-2.0	-114.13	330.87	3.02	-111.11
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C1=O	REAL300017790027	0	39	-2.0	-130.56	346.95	4.48	-126.08
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C(F)=C2F)C1=O	REAL300017790028	0	33	-2.0	-106.86	322.08	2.51	-104.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]N1C(=O)NC(C)(C)C1=O	REAL300017790029	0	37	-2.0	-113.23	334.13	2.05	-111.18
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)C1=O	REAL300017790030	0	33	-2.0	-126.02	309.58	2.40	-123.62
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C1=O	REAL300017790031	0	35	-3.0	-197.65	334.32	2.92	-194.73
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)=C1	REAL300017790032	0	37	-2.0	-122.72	334.90	1.35	-121.37
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2O)C1=O	REAL300017790033	0	34	-2.0	-120.99	315.65	-0.04	-121.03
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1=O	REAL300017790033	1	33	-3.0	-220.74	312.08	0.84	-219.90
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C1=O	REAL300017790034	0	32	-2.0	-119.41	302.15	0.49	-118.92
CC1=C(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)C(C(=O)[O-])=NN1	REAL300017790035	0	33	-2.0	-141.09	298.86	0.03	-141.06
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]N1C(=O)NC(C)(C)C1=O	REAL300017790036	0	36	-2.0	-119.44	325.88	3.12	-116.32
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)C1=O	REAL300017790037	0	30	-2.0	-108.81	306.07	1.36	-107.45
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)C1=O	REAL300017790038	0	33	-2.0	-122.90	314.08	2.41	-120.49
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)C1=O	REAL300017790039	0	33	-2.0	-110.01	316.75	2.45	-107.56
CC1(C)NC(=O)N([N-]S(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C1=O	REAL300017790040	0	40	-2.0	-118.39	351.36	4.26	-114.13
CCC1=C(S(=O)(=O)[N-]N2C(=O)NC(C)(C)C2=O)C=C(C(=O)[O-])O1	REAL300017790041	0	36	-2.0	-115.05	328.05	2.28	-112.77
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2(C3CCSCC3)CC2)=C1	REAL300017790098	1	39	-2.0	-93.62	340.98	6.44	-87.18
O=C([O-])C1=CC(S(=O)(=O)[N-]C2(C3CCSCC3)CC2)=C(F)C(F)=C1F	REAL300017790115	1	39	-2.0	-90.82	345.41	6.46	-84.36
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(C3CCSCC3)CC2)=C1	REAL300017790118	0	42	-2.0	-109.41	359.31	6.80	-102.61
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC2(C3CCSCC3)CC2)=C1	REAL300017790120	0	40	-2.0	-104.81	331.00	4.61	-100.20
CCCCC1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017790235	0	43	-2.0	-110.49	367.31	7.79	-102.70
CCCCC1CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017790237	0	41	-2.0	-110.09	340.95	5.89	-104.20
CC(F)(F)C1([N-]S(=O)(=O)C2=CC=C(CC(=O)[O-])S2)CC1	REAL300017790263	1	31	-2.0	-94.74	303.86	4.16	-90.58
CC(F)(F)C1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300017790265	1	28	-2.0	-95.62	283.26	3.32	-92.30
CC(F)(F)C1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)CC1	REAL300017790270	1	31	-2.0	-96.35	306.90	4.81	-91.54
CC(F)(F)C1([N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)CC1	REAL300017790288	1	28	-2.0	-95.01	299.59	4.00	-91.01
CC(F)(F)C1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300017790297	1	31	-2.0	-102.18	308.30	4.86	-97.32
CC(F)(F)C1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)CC1	REAL300017790298	0	31	-2.0	-93.11	317.59	5.25	-87.86
CC(F)(F)C1([N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)CC1	REAL300017790299	0	28	-2.0	-89.65	299.36	4.04	-85.61
CC(F)(F)C1([N-]S(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300017790309	1	31	-2.0	-100.45	298.98	4.45	-96.00
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2(C(C)(F)F)CC2)=C1F	REAL300017790310	1	34	-2.0	-101.66	315.14	4.93	-96.73
CC(F)(F)C1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)CC1	REAL300017790312	1	31	-2.0	-93.98	314.83	5.06	-88.92
CC(F)(F)C1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CC1	REAL300017790318	1	31	-2.0	-98.46	295.51	4.37	-94.09
CC(F)(F)C1([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)CC1	REAL300017790323	1	31	-2.0	-89.54	294.92	4.28	-85.26
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2(C(C)(F)F)CC2)=C1	REAL300017790325	1	34	-2.0	-105.06	315.07	5.00	-100.06
CC(F)(F)C1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300017790327	0	31	-2.0	-91.94	301.13	4.35	-87.59
CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(C)(F)F)CC2)C=C1C(=O)[O-]	REAL300017790335	1	34	-2.0	-102.45	314.65	4.95	-97.50
CC(F)(F)C1([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300017790341	1	33	-2.0	-87.51	311.43	5.63	-81.88
CC(F)(F)C1([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])CC1	REAL300017790346	1	33	-2.0	-109.00	313.33	5.95	-103.05
CC(F)(F)C1([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)CC1	REAL300017790353	1	31	-2.0	-105.01	293.10	4.24	-100.77
CC(F)(F)C1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)CC1	REAL300017790354	0	34	-2.0	-115.45	313.19	4.60	-110.85
CC(F)(F)C1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])CC1	REAL300017790356	0	32	-2.0	-108.55	281.25	3.03	-105.52
CC(F)(F)C1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300017790357	1	30	-2.0	-99.84	285.59	2.34	-97.50
CC(F)(F)C1([N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)CC1	REAL300017790359	0	28	-2.0	-91.86	289.55	3.19	-88.67
CC(F)(F)C1([N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2F)CC1	REAL300017790361	0	31	-2.0	-102.61	297.45	4.28	-98.33
CC(F)(F)C1([N-]S(=O)(=O)C2=CC(F)=C(F)C(C(=O)[O-])=C2)CC1	REAL300017790362	1	31	-2.0	-101.28	291.44	4.10	-97.18
CC1=CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC(C(=O)[O-])=C3)C(C)C2=N1	REAL300017790446	0	41	-2.0	-114.13	350.49	6.45	-107.68
CC1=CN2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CC=C3[O-])C(C)C2=N1	REAL300017790448	0	39	-2.0	-107.00	336.24	4.76	-102.24
CN1CC2(CC1=O)CCCN(S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1)C2	REAL300017790516	0	45	-2.0	-116.98	369.89	5.43	-111.55
CN1CC2(CC1=O)CCCN(S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-])C2	REAL300017790518	0	43	-2.0	-117.65	356.77	4.00	-113.65
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300017790552	0	42	-2.0	-103.92	358.73	5.43	-98.49
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2CCC3=CC=CC=C3C2)=C1	REAL300017790597	1	44	-2.0	-97.05	384.99	7.90	-89.15
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCCC2CCC3=CC=CC=C3C2)=C1	REAL300017790607	0	45	-2.0	-108.47	373.89	6.79	-101.68
C=CC[C@@H](NS(=O)(=O)C1=CN(CC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017790616	0	35	-2.0	-100.07	325.80	4.31	-95.76
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C)C(=O)[O-]	REAL300017790617	0	40	-2.0	-106.65	336.53	5.43	-101.22
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C(=O)[O-]	REAL300017790618	0	41	-2.0	-117.49	349.35	6.56	-110.93
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C(=O)[O-]	REAL300017790619	0	38	-2.0	-118.74	336.86	5.92	-112.82
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(=O)[O-]	REAL300017790621	0	31	-2.0	-107.71	308.33	4.61	-103.10
C=CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017790622	0	31	-2.0	-96.99	309.76	4.47	-92.52
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017790623	0	34	-2.0	-116.45	313.28	4.60	-111.85
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300017790624	0	37	-2.0	-117.64	326.60	5.46	-112.18
C=CC[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(=O)[O-]	REAL300017790625	0	31	-2.0	-102.65	312.57	4.05	-98.60
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C(=O)[O-]	REAL300017790626	0	34	-2.0	-116.45	309.22	4.91	-111.54
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(=O)[O-]	REAL300017790627	0	28	-2.0	-96.83	290.81	3.14	-93.69
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300017790628	0	37	-2.0	-116.66	326.70	5.74	-110.92
C=CC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017790629	0	32	-2.0	-99.37	304.35	3.44	-95.93
C=CC[C@@H](NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017790630	0	31	-2.0	-100.88	306.57	3.79	-97.09
C=CC[C@@H](NS(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-])C(=O)[O-]	REAL300017790631	0	34	-2.0	-133.18	311.07	4.44	-128.74
C=CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C(=O)[O-]	REAL300017790632	0	31	-2.0	-105.74	312.59	4.63	-101.11
C=CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017790633	0	34	-2.0	-97.35	303.69	4.77	-92.58
C=CC[C@@H](NS(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017790634	0	37	-2.0	-100.44	331.50	5.25	-95.19
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017790635	0	34	-2.0	-96.00	313.02	4.63	-91.37
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)C(=O)[O-]	REAL300017790636	0	31	-2.0	-93.36	311.01	4.74	-88.62
C=CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017790637	0	34	-2.0	-96.26	327.13	4.87	-91.39
C=CC[C@@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300017790643	1	34	-2.0	-136.91	306.67	2.76	-134.15
C=CC[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300017790661	1	31	-2.0	-126.33	298.74	2.78	-123.55
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017790662	1	30	-2.0	-122.77	302.32	6.05	-116.72
C=CC[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300017790685	1	28	-2.0	-123.55	280.09	4.03	-119.52
C=CC[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017790724	1	31	-2.0	-127.43	298.22	4.32	-123.11
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300017790725	1	31	-2.0	-133.30	311.40	5.95	-127.35
C=CC[C@@H](NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300017790726	1	42	-2.0	-98.39	387.74	2.08	-96.31
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F)C(=O)[O-]	REAL300017790756	1	31	-2.0	-142.11	291.94	4.79	-137.32
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017790761	1	28	-2.0	-131.83	282.32	4.50	-127.33
C=CC[C@@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300017790766	1	31	-2.0	-96.13	311.36	-0.09	-96.22
C=CC[C@@H](NS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017790767	0	31	-2.0	-112.57	303.94	3.89	-108.68
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017790784	1	25	-2.0	-122.57	282.94	4.08	-118.49
C=CC[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OCC)C(=O)[O-]	REAL300017790791	1	34	-2.0	-147.70	314.91	2.21	-145.49
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017790814	1	30	-2.0	-135.03	298.37	5.92	-129.11
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300017790820	0	28	-2.0	-118.73	289.27	4.32	-114.41
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300017790829	1	32	-2.0	-132.67	297.74	4.18	-128.49
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017790845	0	28	-2.0	-133.97	282.43	4.77	-129.20
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017790856	1	28	-2.0	-121.72	292.05	5.19	-116.53
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017790860	0	28	-2.0	-129.70	283.11	4.24	-125.46
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017790891	1	28	-2.0	-121.49	300.45	5.69	-115.80
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017790897	0	28	-2.0	-124.18	294.50	4.57	-119.61
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017790899	1	28	-2.0	-122.35	292.58	4.65	-117.70
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017790900	1	28	-2.0	-122.98	280.21	4.03	-118.95
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017790909	0	28	-2.0	-130.76	276.94	4.18	-126.58
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300017790930	0	35	-2.0	-137.93	338.20	3.70	-134.23
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300017790936	1	31	-2.0	-122.28	321.34	3.26	-119.02
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300017791009	1	34	-2.0	-130.35	324.92	4.66	-125.69
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300017791054	1	28	-2.0	-119.86	295.61	5.32	-114.54
C=CC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300017791082	1	31	-2.0	-123.22	301.58	2.66	-120.56
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017791083	0	30	-2.0	-147.41	288.06	5.57	-141.84
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017791086	1	28	-2.0	-134.55	281.66	4.75	-129.80
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017791094	0	30	-2.0	-132.03	309.67	6.37	-125.66
C=CC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300017791107	1	34	-2.0	-123.39	323.44	3.59	-119.80
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017791111	1	31	-2.0	-131.99	298.55	6.01	-125.98
C=CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017791112	1	30	-2.0	-129.23	301.11	6.10	-123.13
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017791115	1	25	-2.0	-129.27	272.40	3.52	-125.75
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017791120	1	27	-2.0	-122.28	291.65	3.17	-119.11
C=CC[C@@H]([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300017791124	1	33	-2.0	-131.19	310.41	4.83	-126.36
C=CC[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017791125	1	30	-2.0	-136.31	294.33	5.22	-131.09
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017791128	1	30	-2.0	-134.98	302.96	6.03	-128.95
C=CC[C@@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017791130	1	36	-2.0	-97.37	344.78	0.39	-96.98
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017791148	1	30	-2.0	-138.60	294.14	6.10	-132.50
C=CC[C@@H]([N-]S(=O)(=O)C1=CN(CCCCCC)C(=O)NC1=O)C(=O)[O-]	REAL300017791169	1	46	-2.0	-127.33	396.31	4.68	-122.65
C=CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017791175	1	25	-2.0	-123.77	266.41	2.58	-121.19
C=CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017791177	1	25	-2.0	-122.62	287.57	4.18	-118.44
C=CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017791193	0	29	-2.0	-129.50	291.33	4.52	-124.98
C=CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300017791209	0	43	-2.0	-119.73	389.35	0.76	-118.97
C=CC[C@@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017791211	1	27	-2.0	-120.16	287.47	3.05	-117.11
C=CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300017791233	1	28	-2.0	-124.92	303.62	4.99	-119.93
C=CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017791236	1	28	-2.0	-120.31	295.27	5.04	-115.27
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)CC1(F)F	REAL300017805020	0	34	-2.0	-110.57	320.03	5.47	-105.10
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])CC1(F)F	REAL300017805022	0	32	-2.0	-105.51	293.16	3.57	-101.94
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)SC=C1	REAL300017805054	1	34	-2.0	-100.82	335.97	1.59	-99.23
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)SC=C1	REAL300017805056	1	34	-2.0	-90.22	336.07	1.61	-88.61
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)SC=C1	REAL300017805059	1	34	-2.0	-104.02	334.13	1.56	-102.46
CS(=O)(=O)C1=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])SC=C1	REAL300017805060	0	35	-2.0	-109.12	334.22	0.59	-108.53
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=C(Cl)OC(C(=O)[O-])=C2)SC=C1	REAL300017805063	0	31	-2.0	-92.75	328.20	0.46	-92.29
COC(=O)C[C@H]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C1	REAL300017805151	0	40	-2.0	-115.05	362.09	6.04	-109.01
COC(=O)C[C@H]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C1	REAL300017805153	0	38	-2.0	-108.83	334.60	4.17	-104.66
CN1C=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300017805233	0	41	-2.0	-114.68	377.40	7.42	-107.26
CN1C=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C2=CC=CC=C21	REAL300017805235	0	39	-2.0	-112.35	347.40	5.47	-106.88
CCN1C=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017805244	0	32	-2.0	-99.48	305.56	3.71	-95.77
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805245	0	37	-2.0	-94.77	312.63	4.98	-89.79
C[C@H](ONS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C(=O)[O-]	REAL300017805246	0	38	-2.0	-116.16	333.30	6.07	-110.09
C[C@H](ONS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C(=O)[O-]	REAL300017805247	0	35	-2.0	-117.15	320.46	5.40	-111.75
C[C@H](ONS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(=O)[O-]	REAL300017805248	0	28	-2.0	-93.95	284.37	3.94	-90.01
C[C@H](ONS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017805249	0	28	-2.0	-95.70	290.04	3.88	-91.82
CC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017805250	0	31	-2.0	-97.92	293.75	4.03	-93.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1C	REAL300017805251	0	34	-2.0	-116.50	310.48	4.79	-111.71
C[C@H](ONS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(=O)[O-]	REAL300017805252	0	28	-2.0	-101.39	292.11	3.43	-97.96
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805253	0	31	-2.0	-95.89	285.47	4.17	-91.72
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805254	0	34	-2.0	-114.88	309.40	5.07	-109.81
CC1=C(C(=O)[O-])SC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C1	REAL300017805255	0	28	-2.0	-103.88	286.83	3.18	-100.70
CC1=C(C(=O)[O-])C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=C(C)O1	REAL300017805256	0	31	-2.0	-130.75	293.52	3.92	-126.83
C[C@H](ONS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C(=O)[O-]	REAL300017805257	0	28	-2.0	-93.13	289.06	3.96	-89.17
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NO[C@@H](C)C(=O)[O-]	REAL300017805258	0	31	-2.0	-114.37	282.10	4.02	-110.35
CCC1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017805259	0	34	-2.0	-97.92	312.00	4.68	-93.24
CC1=CC(S(=O)(=O)NO[C@@H](C)C(=O)[O-])=CC=C1C(=O)[O-]	REAL300017805260	0	31	-2.0	-99.95	293.73	4.04	-95.91
C[C@H](ONS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)C(=O)[O-]	REAL300017805261	0	28	-2.0	-96.07	286.96	4.05	-92.02
C[C@H](ONS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017805262	0	31	-2.0	-96.12	307.84	4.30	-91.82
C[C@H](O[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300017805268	0	31	-2.0	-124.53	292.84	2.37	-122.16
C[C@H](O[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300017805274	1	25	-2.0	-116.70	275.96	4.42	-112.28
C[C@H](O[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300017805279	1	29	-2.0	-118.82	297.56	3.22	-115.60
C[C@H](O[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300017805283	1	26	-2.0	-116.53	278.97	2.64	-113.89
C[C@H](O[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300017805285	0	28	-2.0	-117.63	286.25	2.17	-115.46
C[C@H](O[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805286	0	27	-2.0	-114.71	289.94	5.22	-109.49
C[C@H](O[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017805298	1	25	-2.0	-118.02	274.57	4.36	-113.66
C[C@H](O[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017805305	1	25	-2.0	-121.48	269.87	4.67	-116.81
C[C@H](O[N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300017805307	0	25	-2.0	-112.59	291.16	5.28	-107.31
C[C@H](O[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300017805314	1	28	-2.0	-114.99	287.80	5.06	-109.93
C[C@H](O[N-]S(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300017805322	1	22	-2.0	-112.17	259.88	3.07	-109.10
C[C@H](O[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017805342	1	28	-2.0	-114.68	282.27	3.81	-110.87
C[C@H](O[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300017805343	0	28	-2.0	-122.25	298.78	5.35	-116.90
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C(F)=C1	REAL300017805344	1	39	-2.0	-107.94	364.70	1.45	-106.49
C[C@H](O[N-]S(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017805347	1	24	-2.0	-105.51	277.57	2.53	-102.98
C[C@H](O[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300017805361	1	28	-2.0	-115.54	283.49	0.92	-114.62
CC1=CC(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])=C(F)C=C1Br	REAL300017805364	1	28	-2.0	-117.34	291.07	4.59	-112.75
C[C@H](O[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805365	1	30	-2.0	-118.81	306.26	5.65	-113.16
CC(=O)NC1=NC=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])S1	REAL300017805377	1	28	-2.0	-122.99	291.04	0.84	-122.15
CC1=C(S(=O)(=O)NO[C@@H](C)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017805378	0	28	-2.0	-112.43	287.33	3.38	-109.05
C[C@H](O[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017805392	1	27	-2.0	-107.15	287.62	4.57	-102.58
C[C@H](O[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017805395	0	22	-2.0	-111.08	268.94	3.50	-107.58
COC(=O)C1=CC=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])S1	REAL300017805401	1	28	-2.0	-112.48	293.97	3.11	-109.37
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-]	REAL300017805402	1	31	-2.0	-133.43	298.93	1.95	-131.48
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-]	REAL300017805421	1	29	-2.0	-112.81	309.08	4.42	-108.39
C[C@H](O[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017805423	0	27	-2.0	-125.49	281.53	5.14	-120.35
C[C@H](O[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300017805429	0	25	-2.0	-106.86	273.33	3.83	-103.03
C[C@H](O[N-]S(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017805431	1	25	-2.0	-115.80	268.99	4.10	-111.70
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-]	REAL300017805437	0	29	-2.0	-122.35	283.90	3.83	-118.52
C[C@H](O[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017805451	0	25	-2.0	-120.36	268.60	4.21	-116.15
C[C@H](O[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017805460	0	25	-2.0	-111.64	276.27	4.74	-106.90
C[C@H](O[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017805463	0	25	-2.0	-116.60	267.16	3.76	-112.84
C[C@H](O[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300017805465	1	27	-2.0	-108.84	295.05	3.14	-105.70
C[C@H](O[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017805489	0	25	-2.0	-112.66	286.60	5.17	-107.49
C[C@H](O[N-]S(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017805492	1	25	-2.0	-116.41	273.06	4.04	-112.37
C[C@H](O[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017805493	0	25	-2.0	-111.61	278.76	4.08	-107.53
C[C@H](O[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017805495	0	25	-2.0	-111.48	278.58	4.08	-107.40
C[C@H](O[N-]S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300017805498	1	28	-2.0	-114.17	277.45	4.61	-109.56
CC1=CC=C(Cl)C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])=C1Cl	REAL300017805507	1	28	-2.0	-122.29	288.44	5.24	-117.05
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])C(F)=C1Cl	REAL300017805523	0	32	-2.0	-124.84	323.89	3.16	-121.68
COC(=O)C1=C(F)C=CC(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])=C1F	REAL300017805525	1	31	-2.0	-116.96	313.87	4.13	-112.83
CC1=CC(Br)=C(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])S1	REAL300017805527	1	25	-2.0	-118.60	280.28	3.69	-114.91
COC(=O)C1=CC(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])=C(Br)O1	REAL300017805529	0	28	-2.0	-109.05	305.42	2.75	-106.30
C[C@H](O[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300017805540	1	30	-2.0	-108.17	299.13	5.21	-102.96
CC1=C(Br)SC(S(=O)(=O)[N-]O[C@@H](C)C(=O)[O-])=C1	REAL300017805548	1	25	-2.0	-113.14	279.46	3.67	-109.47
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300017814036	1	40	-2.0	-123.53	370.45	5.87	-117.66
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300017814083	1	37	-2.0	-122.29	352.56	5.29	-117.00
O=C([O-])C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017814086	0	36	-2.0	-143.74	340.96	8.11	-135.63
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300017814101	1	40	-2.0	-124.01	376.35	6.15	-117.86
CCN1C=C(S(=O)(=O)[N-]C(CC2=CC=C(F)C=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300017814111	1	39	-2.0	-129.15	365.29	7.31	-121.84
O=C([O-])C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017814112	1	36	-2.0	-139.52	348.35	7.66	-131.86
CC(C(F)(F)F)S(=O)(=O)[N-]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017814135	0	33	-2.0	-119.40	314.08	5.37	-114.03
O=C([O-])C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017814139	1	31	-2.0	-122.67	317.40	5.23	-117.44
N#CC1=CC(F)=C(S(=O)(=O)[N-]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(F)=C1	REAL300017814144	0	35	-2.0	-126.95	344.26	7.08	-119.87
O=C([O-])C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017814153	1	33	-2.0	-115.27	340.38	5.59	-109.68
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2=CC=C(F)C=C2)C(=O)[O-])C(F)=C1	REAL300017814182	1	38	-2.0	-134.87	352.94	5.98	-128.89
O=C([O-])C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300017814194	1	34	-2.0	-134.76	326.73	6.55	-128.21
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017814210	0	40	-2.0	-101.92	364.54	7.48	-94.44
CC1=CC(C)=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1C(=O)[O-]	REAL300017814211	0	43	-2.0	-107.03	374.77	7.83	-99.20
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017814212	0	41	-2.0	-107.69	368.58	5.49	-102.20
O=C([O-])C1=CC(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=CS1	REAL300017814213	0	34	-2.0	-110.98	342.01	5.77	-105.21
CC1=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017814214	0	37	-2.0	-107.65	353.05	5.82	-101.83
CC1=CC=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017814215	0	43	-2.0	-114.37	378.90	8.08	-106.29
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017814216	0	40	-2.0	-100.43	358.42	7.24	-93.19
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300017814217	0	37	-2.0	-95.15	356.17	6.71	-88.44
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1F	REAL300017814218	0	37	-2.0	-98.18	354.25	6.68	-91.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=C1F	REAL300017814219	0	40	-2.0	-100.16	363.91	7.01	-93.15
O=C([O-])C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300017814234	1	37	-2.0	-131.42	349.81	6.21	-125.21
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017814262	0	41	-2.0	-103.26	362.51	6.49	-96.77
O=C([O-])C1=CC(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1O	REAL300017814263	0	38	-2.0	-109.07	359.51	4.75	-104.32
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300017814264	0	41	-2.0	-100.02	382.16	8.00	-92.02
O=C([O-])CCC1=CC=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300017814265	0	43	-2.0	-96.88	394.28	8.29	-88.59
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300017814266	0	37	-2.0	-98.83	342.24	6.36	-92.47
O=C([O-])CC1=CC=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300017814267	0	40	-2.0	-98.23	370.61	7.45	-90.78
COC1=CC=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1C(=O)[O-]	REAL300017814268	0	41	-2.0	-113.11	377.64	6.81	-106.30
O=C([O-])COC1=CC=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300017814269	0	41	-2.0	-97.72	379.54	6.95	-90.77
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C(F)=C1	REAL300017814270	0	37	-2.0	-103.50	343.58	6.37	-97.13
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300017814271	0	40	-2.0	-101.25	371.78	7.27	-93.98
CC1=CC(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017814272	0	43	-2.0	-117.81	386.81	7.78	-110.03
CC1=CC(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017814273	0	40	-2.0	-101.71	374.84	7.27	-94.44
CC1=CC(F)=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1C(=O)[O-]	REAL300017814274	0	40	-2.0	-99.38	358.34	6.89	-92.49
O=C([O-])C1=CC=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300017814275	0	34	-2.0	-104.48	342.63	5.87	-98.61
O=C([O-])CC1=CC=CC(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300017814276	0	40	-2.0	-101.70	371.92	7.41	-94.29
CC1=C(F)C=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1C(=O)[O-]	REAL300017814277	0	40	-2.0	-106.48	374.95	7.28	-99.20
COC(=O)C1=COC(S(=O)(=O)[N-]C(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300017814282	1	37	-2.0	-126.65	354.83	5.17	-121.48
COC(=O)C1=C(S(=O)(=O)[N-]C(CC2=CC=C(F)C=C2)C(=O)[O-])SC=N1	REAL300017814317	0	36	-2.0	-137.56	350.07	4.71	-132.85
O=C([O-])C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300017814327	1	34	-2.0	-136.48	331.02	7.19	-129.29
O=C([O-])C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300017814334	1	33	-2.0	-121.89	332.00	5.88	-116.01
N#CC1=CC=C(S(=O)(=O)[N-]C(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300017814347	1	32	-2.0	-119.01	323.97	4.36	-114.65
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300017814363	0	36	-2.0	-140.96	339.97	5.20	-135.76
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017814378	0	41	-2.0	-103.20	362.23	6.49	-96.71
O=C([O-])C1=CC=CC(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=C1F	REAL300017814379	0	37	-2.0	-124.19	340.26	6.31	-117.88
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300017814390	0	41	-2.0	-122.07	365.06	5.66	-116.41
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300017814391	0	37	-3.0	-196.38	342.40	5.33	-191.05
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300017814391	1	38	-2.0	-107.31	355.98	4.48	-102.83
O=C([O-])C1=CC=NC(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300017814392	0	36	-2.0	-97.18	340.42	5.44	-91.74
CC1=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C(C(=O)[O-])=NN1	REAL300017814393	0	37	-2.0	-110.96	340.61	4.48	-106.48
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017814394	0	40	-2.0	-107.53	364.33	7.48	-100.05
O=C([O-])C1=CC(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=C(Cl)O1	REAL300017814395	0	34	-2.0	-99.16	334.31	5.15	-94.01
O=C([O-])C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300017814397	0	31	-2.0	-123.41	320.71	4.54	-118.87
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300017814406	1	38	-2.0	-132.06	353.03	7.14	-124.92
O=C([O-])C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300017814423	1	37	-2.0	-137.50	342.46	5.54	-131.96
O=C([O-])C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300017814474	1	31	-2.0	-122.23	312.76	5.11	-117.12
O=C([O-])C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300017814480	1	34	-2.0	-124.67	342.45	7.03	-117.64
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300017814488	1	40	-2.0	-108.80	378.58	3.83	-104.97
CCOC(=O)C1=CC(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])=N[N-]1	REAL300017814488	1	40	-2.0	-108.75	378.68	3.84	-104.91
O=C([O-])C(CC1=CC=C(F)C=C1)[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300017814526	1	31	-2.0	-113.74	345.11	5.92	-107.82
N#CC1=C(S(=O)(=O)[N-]C(CC2=CC=C(F)C=C2)C(=O)[O-])OC=C1	REAL300017814530	1	32	-2.0	-124.15	322.73	4.29	-119.86
CCC1=C(S(=O)(=O)NC(CC2=CC=C(F)C=C2)C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017814593	0	40	-2.0	-108.23	373.54	6.60	-101.63
CCN1C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017814599	0	35	-2.0	-104.05	322.98	1.06	-102.99
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017814600	0	40	-2.0	-104.09	348.79	2.95	-101.14
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017814601	0	41	-2.0	-105.19	350.52	3.54	-101.65
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017814602	0	38	-2.0	-105.93	337.86	2.75	-103.18
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017814604	0	31	-2.0	-97.71	296.57	0.90	-96.81
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017814605	0	31	-2.0	-101.92	307.47	1.24	-100.68
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017814606	0	31	-2.0	-104.12	294.97	0.84	-103.28
CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017814607	0	34	-2.0	-103.85	311.01	1.38	-102.47
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017814608	0	31	-2.0	-98.40	294.95	0.85	-97.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1C	REAL300017814609	0	37	-2.0	-105.62	326.57	2.28	-103.34
O=C([O-])CC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])S1	REAL300017814610	0	31	-2.0	-97.29	309.55	0.79	-96.50
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017814611	0	34	-2.0	-104.76	309.59	1.74	-103.02
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017814612	0	28	-2.0	-99.99	288.15	-0.13	-100.12
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017814613	0	37	-2.0	-104.50	326.69	2.63	-101.87
CN1C=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017814614	0	32	-2.0	-103.25	301.61	0.19	-103.06
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C1	REAL300017814615	0	31	-2.0	-97.73	304.11	0.53	-97.20
CC1=C(C(=O)[O-])C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=C(C)O1	REAL300017814616	0	34	-2.0	-108.71	309.38	1.22	-107.49
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017814617	0	31	-2.0	-97.46	301.14	0.92	-96.54
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017814618	0	34	-2.0	-101.10	304.20	1.59	-99.51
CCC1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C1C(=O)[O-]	REAL300017814619	0	37	-2.0	-103.89	328.90	2.03	-101.86
CC1=CC(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])=CC=C1C(=O)[O-]	REAL300017814620	0	34	-2.0	-97.73	310.97	1.39	-96.34
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017814621	0	31	-2.0	-94.76	311.34	1.59	-93.17
O=C([O-])C[C@H](O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017814622	0	34	-2.0	-96.96	325.08	1.65	-95.31
CN1C=C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])C(=O)N(C)C1=O	REAL300017814628	1	34	-2.0	-112.76	311.08	-1.11	-113.87
CN1C=C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])C(C(F)(F)F)=N1	REAL300017814650	1	31	-2.0	-107.72	303.14	-1.28	-109.00
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017814652	1	30	-2.0	-102.44	308.16	2.09	-100.35
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017814678	1	28	-2.0	-103.11	282.60	0.06	-103.05
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017814718	1	31	-2.0	-104.93	300.68	0.34	-104.59
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017814719	1	31	-2.0	-110.31	317.01	1.88	-108.43
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(F)=C1	REAL300017814720	1	42	-2.0	-96.27	378.01	-1.48	-97.75
CC1=CC(F)=C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])C(F)=C1	REAL300017814752	1	31	-2.0	-114.57	294.41	0.83	-113.74
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017814757	1	28	-2.0	-107.22	286.73	0.45	-106.77
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])S1	REAL300017814762	1	31	-2.0	-92.68	308.16	-3.35	-96.03
CC1=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017814763	0	31	-2.0	-103.01	303.94	0.79	-102.22
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017814781	1	25	-2.0	-99.68	287.34	0.02	-99.66
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-]	REAL300017814789	1	34	-2.0	-120.71	317.35	-1.53	-122.24
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017814811	1	30	-2.0	-111.25	299.77	1.99	-109.26
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017814817	0	28	-2.0	-96.19	291.74	0.35	-95.84
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-]	REAL300017814827	1	32	-2.0	-109.67	302.14	0.35	-109.32
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017814844	0	28	-2.0	-108.32	286.84	0.74	-107.58
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017814855	1	28	-2.0	-100.15	294.50	1.25	-98.90
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017814859	0	28	-2.0	-104.60	285.57	0.28	-104.32
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017814891	1	28	-2.0	-101.06	304.83	1.68	-99.38
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017814897	0	28	-2.0	-100.25	297.00	0.60	-99.65
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017814899	1	28	-2.0	-100.12	297.00	0.60	-99.52
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017814900	1	28	-2.0	-99.41	282.69	0.05	-99.36
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017814910	0	28	-2.0	-105.19	279.41	0.22	-104.97
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])C(F)=C1Cl	REAL300017814930	0	35	-2.0	-113.71	342.58	-0.33	-114.04
COC(=O)C1=CC(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])=C(Br)O1	REAL300017814936	1	31	-2.0	-98.99	323.84	-0.73	-99.72
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])=C1F	REAL300017815011	1	34	-2.0	-109.09	329.32	0.61	-108.48
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300017815057	1	28	-2.0	-99.51	298.08	1.39	-98.12
COC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])O1	REAL300017815087	1	31	-2.0	-102.58	304.04	-1.33	-103.91
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017815088	0	30	-2.0	-122.39	287.20	1.58	-120.81
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017815091	1	28	-2.0	-111.45	284.17	0.82	-110.63
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017815099	0	30	-2.0	-108.36	314.90	2.60	-105.76
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])O1	REAL300017815112	1	34	-2.0	-102.79	325.91	-0.41	-103.20
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017815116	1	31	-2.0	-110.75	302.89	2.03	-108.72
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017815117	1	30	-2.0	-108.90	304.34	2.09	-106.81
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017815120	1	25	-2.0	-104.84	276.81	-0.55	-105.39
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017815125	1	27	-2.0	-100.15	294.11	-0.81	-100.96
CCN1C=C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300017815129	1	33	-2.0	-112.97	314.82	0.76	-112.21
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017815130	1	30	-2.0	-115.48	297.90	1.28	-114.20
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017815133	1	30	-2.0	-111.14	304.34	2.09	-109.05
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])C(F)=C1	REAL300017815135	1	36	-2.0	-95.03	335.00	-3.16	-98.19
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017815154	1	30	-2.0	-117.39	298.21	2.10	-115.29
CCCCCCN1C=C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])C(=O)NC1=O	REAL300017815176	1	46	-2.0	-110.33	400.71	0.64	-109.69
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017815182	1	25	-2.0	-102.12	268.88	-1.41	-103.53
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017815184	1	25	-2.0	-99.79	291.98	0.12	-99.67
N#CC1=CC(F)=C(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])C(F)=C1	REAL300017815199	0	29	-2.0	-104.59	293.80	0.55	-104.04
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC[C@@H](O)CC(=O)[O-]	REAL300017815215	0	43	-2.0	-100.30	376.45	-2.45	-102.75
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017815217	1	27	-2.0	-97.42	289.94	-0.94	-98.36
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300017815241	1	28	-2.0	-100.97	306.12	1.01	-99.96
O=C([O-])C[C@H](O)C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017815244	1	28	-2.0	-100.49	299.66	1.00	-99.49
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017816007	1	29	-2.0	-109.95	296.48	4.83	-105.12
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017816013	0	27	-2.0	-92.91	288.86	3.20	-89.71
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CCC(F)C(=O)[O-]	REAL300017816023	1	31	-2.0	-106.70	298.87	3.19	-103.51
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017816042	0	27	-2.0	-105.49	283.58	3.57	-101.92
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017816052	1	27	-2.0	-97.29	291.23	4.09	-93.20
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017816056	0	27	-2.0	-101.56	282.30	3.12	-98.44
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017816088	0	27	-2.0	-98.11	301.97	4.53	-93.58
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300017816092	1	27	-2.0	-101.99	288.01	3.40	-98.59
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300017816093	1	27	-2.0	-90.48	280.62	2.90	-87.58
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017816094	0	27	-2.0	-97.14	294.12	3.44	-93.70
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017816096	1	27	-2.0	-96.95	294.12	3.44	-93.51
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017816097	0	27	-2.0	-96.20	279.81	2.90	-93.30
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300017816103	1	27	-2.0	-106.82	282.90	3.27	-103.55
O=C([O-])C(F)CC[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017816107	0	27	-2.0	-102.21	276.54	3.07	-99.14
CC1=CC=C(Cl)C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C1Cl	REAL300017816113	1	30	-2.0	-106.67	303.99	4.61	-102.06
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])C(F)=C1Cl	REAL300017816128	0	34	-2.0	-110.11	339.45	2.52	-107.59
COC(=O)C1=C(F)C=CC(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C1F	REAL300017816130	1	33	-2.0	-103.83	329.00	3.49	-100.34
CC1=CC(Br)=C(S(=O)(=O)[N-]CCC(F)C(=O)[O-])S1	REAL300017816132	1	27	-2.0	-103.22	295.41	3.09	-100.13
COC(=O)C1=CC(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C(Br)O1	REAL300017816134	1	30	-2.0	-95.80	320.55	2.11	-93.69
CC1=C(Br)SC(S(=O)(=O)[N-]CCC(F)C(=O)[O-])=C1	REAL300017816154	1	27	-2.0	-98.91	294.41	3.04	-95.87
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300017817001	0	45	-2.0	-111.67	355.98	7.42	-104.25
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017817002	0	46	-2.0	-122.98	367.72	8.70	-114.28
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017817003	0	43	-2.0	-111.38	348.50	7.34	-104.04
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017817005	0	36	-2.0	-103.77	325.63	6.41	-97.36
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017817006	0	36	-2.0	-110.93	332.36	6.54	-104.39
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017817007	0	36	-2.0	-103.02	317.94	6.16	-96.86
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300017817008	0	39	-2.0	-100.15	327.91	6.42	-93.73
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017817009	0	36	-2.0	-99.54	319.32	6.07	-93.47
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300017817010	0	42	-2.0	-98.30	338.69	6.92	-91.38
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017817011	0	36	-2.0	-98.87	332.55	6.00	-92.87
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300017817012	0	39	-2.0	-108.95	327.39	6.70	-102.25
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017817013	0	33	-2.0	-95.49	304.16	4.94	-90.55
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1CC	REAL300017817014	0	42	-2.0	-110.18	341.63	7.18	-103.00
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300017817015	0	37	-2.0	-98.39	318.59	5.10	-93.29
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1	REAL300017817016	0	36	-2.0	-98.53	328.97	5.83	-92.70
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-]	REAL300017817017	0	39	-2.0	-125.22	331.29	6.48	-118.74
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017817018	0	36	-2.0	-94.45	325.23	6.32	-88.13
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300017817019	0	39	-2.0	-109.90	324.88	6.61	-103.29
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1	REAL300017817020	0	42	-2.0	-116.07	353.58	7.25	-108.82
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300017817021	0	39	-2.0	-99.90	335.34	6.61	-93.29
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017817022	0	36	-2.0	-98.18	329.66	6.64	-91.54
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017817023	0	39	-2.0	-96.37	349.96	6.96	-89.41
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300017817177	1	36	-2.0	-100.93	331.16	1.86	-99.07
CCCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1	REAL300017817179	0	36	-2.0	-96.68	313.56	5.49	-91.19
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])NC=N2	REAL300017825028	0	38	-2.0	-123.35	322.99	6.26	-117.09
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])N=CN2	REAL300017825028	1	38	-2.0	-130.27	323.07	6.26	-124.01
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])NC=N2	REAL300017825029	0	42	-2.0	-133.28	356.52	6.34	-126.94
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])N=CN2	REAL300017825029	1	42	-2.0	-140.15	357.74	6.26	-133.89
COC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1CC(=O)[O-]	REAL300017825030	0	42	-2.0	-130.02	355.19	5.89	-124.13
COC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1CC(=O)[O-]	REAL300017825030	1	42	-2.0	-132.89	357.53	6.11	-126.78
CC1=CC(C)=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1C(=O)[O-]	REAL300017825031	0	41	-2.0	-134.29	329.32	6.69	-127.60
CC1=CC(C)=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1C(=O)[O-]	REAL300017825031	1	41	-2.0	-143.80	332.21	6.75	-137.05
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])NC=N2	REAL300017825032	0	39	-2.0	-131.32	321.26	4.02	-127.30
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])N=CN2	REAL300017825032	1	39	-2.0	-142.13	327.11	4.24	-137.89
CCOC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1C(=O)[O-]	REAL300017825033	0	42	-2.0	-111.57	353.61	6.70	-104.87
CCOC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1C(=O)[O-]	REAL300017825033	1	42	-2.0	-145.96	356.22	6.96	-139.00
O=C([O-])C1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=CS1	REAL300017825034	0	32	-2.0	-104.07	296.43	4.78	-99.29
O=C([O-])C1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=CS1	REAL300017825034	1	32	-2.0	-105.45	298.19	5.00	-100.45
CC1=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C(C(=O)[O-])O1	REAL300017825035	0	35	-2.0	-124.51	310.74	4.93	-119.58
CC1=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C(C(=O)[O-])O1	REAL300017825035	1	35	-2.0	-131.38	310.11	4.92	-126.46
CC1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=CC=C1OCC(=O)[O-]	REAL300017825036	0	42	-2.0	-104.58	355.70	6.72	-97.86
CC1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=CC=C1OCC(=O)[O-]	REAL300017825036	1	42	-2.0	-107.70	358.18	6.95	-100.75
CC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C(C)=C1C(=O)[O-]	REAL300017825037	0	41	-2.0	-111.18	336.34	6.84	-104.34
CC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C(C)=C1C(=O)[O-]	REAL300017825037	1	41	-2.0	-112.01	336.96	6.80	-105.21
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])NC=N2	REAL300017825038	0	38	-2.0	-111.49	318.25	6.20	-105.29
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])N=CN2	REAL300017825038	1	38	-2.0	-115.09	312.37	5.99	-109.10
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1	REAL300017825039	0	35	-2.0	-101.22	310.98	5.78	-95.44
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1	REAL300017825039	1	35	-2.0	-101.89	310.94	5.78	-96.11
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C(Cl)=C1	REAL300017825040	0	35	-2.0	-103.64	316.00	6.01	-97.63
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C(Cl)=C1	REAL300017825040	1	35	-2.0	-106.42	315.85	6.01	-100.41
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1F	REAL300017825041	0	35	-2.0	-109.59	309.05	5.76	-103.83
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1F	REAL300017825041	1	35	-2.0	-108.71	311.61	6.03	-102.68
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])NC=N2	REAL300017825042	0	38	-2.0	-125.17	331.69	6.63	-118.54
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])N=CN2	REAL300017825042	1	38	-2.0	-132.15	331.77	6.65	-125.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1F	REAL300017825043	0	38	-2.0	-125.62	333.85	6.41	-119.21
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1F	REAL300017825043	1	38	-2.0	-130.47	333.47	6.41	-124.06
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])NC=N2	REAL300017825098	0	39	-2.0	-134.09	334.16	5.59	-128.50
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])N=CN2	REAL300017825098	1	39	-2.0	-140.71	335.70	5.55	-135.16
O=C([O-])C1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=CC=C1O	REAL300017825099	0	36	-2.0	-106.39	313.27	3.77	-102.62
O=C([O-])C1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=CC=C1O	REAL300017825099	1	36	-2.0	-139.09	315.89	4.03	-135.06
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1	REAL300017825100	0	39	-2.0	-101.68	332.45	6.71	-94.97
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1	REAL300017825100	1	39	-2.0	-107.19	335.98	7.01	-100.18
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1	REAL300017825101	0	41	-2.0	-102.50	344.60	6.98	-95.52
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1	REAL300017825101	1	41	-2.0	-108.45	348.09	7.29	-101.16
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1	REAL300017825102	0	35	-2.0	-123.74	311.96	5.81	-117.93
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1	REAL300017825102	1	35	-2.0	-128.03	310.69	5.75	-122.28
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1	REAL300017825103	0	38	-2.0	-107.80	323.20	6.18	-101.62
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1	REAL300017825103	1	38	-2.0	-112.85	326.68	6.49	-106.36
COC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1C(=O)[O-]	REAL300017825104	0	39	-2.0	-110.88	331.80	5.79	-105.09
COC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1C(=O)[O-]	REAL300017825104	1	39	-2.0	-145.13	334.37	6.05	-139.08
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1	REAL300017825105	0	39	-2.0	-103.12	332.09	5.68	-97.44
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1	REAL300017825105	1	39	-2.0	-108.26	335.60	5.99	-102.27
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1F	REAL300017825106	0	39	-2.0	-107.18	341.83	6.07	-101.11
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1F	REAL300017825106	1	39	-2.0	-112.37	344.37	6.32	-106.05
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C(F)=C1	REAL300017825107	0	35	-2.0	-102.83	313.34	5.77	-97.06
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C(F)=C1	REAL300017825107	1	35	-2.0	-105.39	313.32	5.79	-99.60
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1Cl	REAL300017825108	0	35	-2.0	-105.52	317.01	6.13	-99.39
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1Cl	REAL300017825108	1	35	-2.0	-107.20	319.58	6.39	-100.81
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1	REAL300017825109	0	38	-2.0	-109.62	330.32	6.37	-103.25
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1	REAL300017825109	1	38	-2.0	-108.55	332.92	6.40	-102.15
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1	REAL300017825110	0	35	-2.0	-113.97	319.60	5.82	-108.15
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1	REAL300017825110	1	35	-2.0	-118.49	319.57	5.83	-112.66
CC1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=CC(C(=O)[O-])=C1C	REAL300017825111	0	41	-2.0	-134.54	338.40	6.91	-127.63
CC1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=CC(C(=O)[O-])=C1C	REAL300017825111	1	41	-2.0	-140.61	338.22	6.93	-133.68
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1	REAL300017825112	0	37	-2.0	-114.21	332.86	6.41	-107.80
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1	REAL300017825112	1	37	-2.0	-99.70	332.74	6.39	-93.31
CC1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=CC(C(=O)[O-])=C1F	REAL300017825113	0	38	-2.0	-131.95	329.45	6.38	-125.57
CC1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=CC(C(=O)[O-])=C1F	REAL300017825113	1	38	-2.0	-104.66	329.38	6.37	-98.29
CC1=CC(F)=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1C(=O)[O-]	REAL300017825114	0	38	-2.0	-124.96	330.47	6.41	-118.55
CC1=CC(F)=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1C(=O)[O-]	REAL300017825114	1	38	-2.0	-128.67	326.06	6.24	-122.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1Cl	REAL300017825115	0	38	-2.0	-126.54	334.60	6.55	-119.99
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1Cl	REAL300017825115	1	38	-2.0	-131.80	334.75	6.55	-125.25
CC1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=CC(C(=O)[O-])=C1Cl	REAL300017825116	0	38	-2.0	-129.67	335.84	6.68	-122.99
CC1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=CC(C(=O)[O-])=C1Cl	REAL300017825116	1	38	-2.0	-103.31	335.76	6.67	-96.64
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])NC=N2	REAL300017825117	0	38	-2.0	-103.95	334.04	6.77	-97.18
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])N=CN2	REAL300017825117	1	38	-2.0	-104.42	329.52	6.60	-97.82
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C([N+](=O)[O-])=C1	REAL300017825118	0	37	-2.0	-107.49	329.25	7.36	-100.13
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C([N+](=O)[O-])=C1	REAL300017825118	1	37	-2.0	-112.06	329.37	7.36	-104.70
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)S1	REAL300017825119	0	32	-2.0	-108.55	298.51	5.02	-103.53
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)S1	REAL300017825119	1	32	-2.0	-106.25	297.42	4.85	-101.40
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1	REAL300017825120	0	38	-2.0	-108.22	326.69	6.49	-101.73
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1	REAL300017825120	1	38	-2.0	-129.68	329.52	6.76	-122.92
O=C([O-])C1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=CC=C1[N+](=O)[O-]	REAL300017825121	0	37	-2.0	-100.32	328.33	6.75	-93.57
O=C([O-])C1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=CC=C1[N+](=O)[O-]	REAL300017825121	1	37	-2.0	-135.42	330.67	7.07	-128.35
O=C([O-])C1=CC=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1[N+](=O)[O-]	REAL300017825122	0	37	-2.0	-109.02	325.08	7.27	-101.75
O=C([O-])C1=CC=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1[N+](=O)[O-]	REAL300017825122	1	37	-2.0	-107.17	325.12	7.27	-99.90
CC1=C(Cl)C=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1C(=O)[O-]	REAL300017825123	0	38	-2.0	-124.64	338.05	6.73	-117.91
CC1=C(Cl)C=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1C(=O)[O-]	REAL300017825123	1	38	-2.0	-130.84	338.23	6.76	-124.08
CC1=C(F)C=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C1C(=O)[O-]	REAL300017825124	0	38	-2.0	-122.94	329.34	6.34	-116.60
CC1=C(F)C=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C1C(=O)[O-]	REAL300017825124	1	38	-2.0	-129.09	329.43	6.34	-122.75
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])NC=N2	REAL300017825227	0	39	-2.0	-110.08	334.18	5.58	-104.50
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])N=CN2	REAL300017825227	1	39	-2.0	-114.31	335.39	5.54	-108.77
O=C([O-])C1=CC=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1F	REAL300017825228	0	35	-2.0	-108.85	311.89	5.76	-103.09
O=C([O-])C1=CC=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1F	REAL300017825228	1	35	-2.0	-107.22	311.29	5.72	-101.50
O=C([O-])C1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=CC(C(=O)[O-])=C1	REAL300017825239	0	37	-3.0	-203.86	329.41	5.95	-197.91
O=C([O-])C1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=CC(C(=O)[O-])=C1	REAL300017825239	1	37	-3.0	-206.62	329.46	5.96	-200.66
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1	REAL300017825240	0	39	-2.0	-109.25	332.04	4.99	-104.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1	REAL300017825240	1	39	-2.0	-109.86	333.49	4.97	-104.89
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1	REAL300017825241	0	35	-3.0	-213.41	312.11	4.36	-209.05
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1	REAL300017825241	1	36	-2.0	-130.35	316.01	3.32	-127.03
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1	REAL300017825241	1	35	-3.0	-210.86	310.66	4.21	-206.65
O=C([O-])C1=CC=NC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1	REAL300017825242	0	34	-2.0	-117.84	305.76	3.68	-114.16
O=C([O-])C1=CC=NC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1	REAL300017825242	1	34	-2.0	-108.71	303.76	4.54	-104.17
CC1=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C(C(=O)[O-])=NN1	REAL300017825243	0	35	-2.0	-119.12	296.34	3.67	-115.45
CC1=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C(C(=O)[O-])=NN1	REAL300017825243	1	35	-2.0	-110.30	292.39	2.82	-107.48
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])NC=N2	REAL300017825244	0	38	-2.0	-132.63	322.39	6.26	-126.37
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2=C(C[C@H]1C(=O)[O-])N=CN2	REAL300017825244	1	38	-2.0	-141.06	322.86	6.23	-134.83
O=C([O-])C1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C(Cl)O1	REAL300017825245	0	32	-2.0	-115.49	305.20	4.37	-111.12
O=C([O-])C1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C(Cl)O1	REAL300017825245	1	32	-2.0	-118.05	306.90	4.77	-113.28
O=C([O-])[C@@H]1CC2=C(CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])N=CN2	REAL300017825282	0	33	-2.0	-109.00	317.85	4.74	-104.26
O=C([O-])[C@@H]1CC2=C(CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])NC=N2	REAL300017825282	1	33	-2.0	-107.01	317.74	4.79	-102.22
O=C([O-])C1=C(F)C=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=C1F	REAL300017825342	0	35	-2.0	-106.56	315.87	5.79	-100.77
O=C([O-])C1=C(F)C=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=C1F	REAL300017825342	1	35	-2.0	-105.00	313.50	5.75	-99.25
O=C([O-])C1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)=CC(F)=C1F	REAL300017825343	0	35	-2.0	-99.90	315.41	5.81	-94.09
O=C([O-])C1=CC(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)=CC(F)=C1F	REAL300017825343	1	35	-2.0	-100.83	315.36	5.80	-95.03
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CC4=C(C[C@H]3C(=O)[O-])NC=N4)C=C2C1	REAL300017825465	0	42	-2.0	-109.43	350.00	7.60	-101.83
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CC4=C(C[C@H]3C(=O)[O-])N=CN4)C=C2C1	REAL300017825465	1	42	-2.0	-110.23	348.60	7.57	-102.66
CCC1=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])NC=N3)C=C(C(=O)[O-])O1	REAL300017825478	0	38	-2.0	-125.78	326.60	5.40	-120.38
CCC1=C(S(=O)(=O)N2CC3=C(C[C@H]2C(=O)[O-])N=CN3)C=C(C(=O)[O-])O1	REAL300017825478	1	38	-2.0	-118.93	332.61	5.50	-113.43
CCN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017825484	0	38	-2.0	-103.31	335.35	5.62	-97.69
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825485	0	43	-2.0	-99.42	351.95	6.98	-92.44
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)C1	REAL300017825486	0	44	-2.0	-102.27	355.33	7.69	-94.58
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)C1	REAL300017825487	0	41	-2.0	-102.70	343.70	7.11	-95.59
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)C1	REAL300017825489	0	34	-2.0	-93.80	312.87	5.71	-88.09
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300017825490	0	34	-2.0	-100.35	319.02	5.75	-94.60
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C1	REAL300017825491	0	34	-2.0	-102.54	306.53	5.36	-97.18
CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017825492	0	37	-2.0	-102.46	322.54	5.90	-96.56
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300017825493	0	34	-2.0	-95.93	306.51	5.37	-90.56
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1C	REAL300017825494	0	40	-2.0	-101.92	333.61	6.40	-95.52
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)S1	REAL300017825495	0	34	-2.0	-93.36	321.10	5.32	-88.04
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825496	0	37	-2.0	-99.81	313.82	5.87	-93.94
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)C1	REAL300017825497	0	31	-2.0	-96.23	299.48	4.44	-91.79
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825498	0	40	-2.0	-108.78	340.09	7.26	-101.52
CN1C=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017825499	0	35	-2.0	-100.46	313.17	4.73	-95.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C1	REAL300017825500	0	34	-2.0	-94.56	315.55	5.09	-89.47
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=C(C)O1	REAL300017825501	0	37	-2.0	-107.99	321.57	5.84	-102.15
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)C1	REAL300017825502	0	34	-2.0	-94.57	318.21	5.74	-88.83
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC[C@H](CC(=O)[O-])C1	REAL300017825503	0	37	-2.0	-97.46	308.70	5.74	-91.72
CCC1=CC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C1C(=O)[O-]	REAL300017825504	0	40	-2.0	-102.66	340.45	6.54	-96.12
CC1=CC(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)=CC=C1C(=O)[O-]	REAL300017825505	0	37	-2.0	-95.43	322.52	5.90	-89.53
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300017825506	0	34	-2.0	-90.94	315.00	5.80	-85.14
O=C([O-])C[C@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)C1	REAL300017825507	0	37	-2.0	-94.28	336.63	6.17	-88.11
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)S1	REAL300017825659	1	34	-2.0	-91.17	319.71	1.18	-89.99
CC1=C(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300017825661	0	34	-2.0	-100.02	307.39	5.01	-95.01
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)C(=O)[O-]	REAL300017834001	0	34	-2.0	-92.95	326.03	5.79	-87.16
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017834002	0	37	-2.0	-97.77	342.84	5.50	-92.27
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300017834009	1	37	-2.0	-130.47	327.11	3.22	-127.25
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300017834037	1	34	-2.0	-120.64	318.90	3.03	-117.61
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017834039	1	33	-2.0	-115.96	321.65	6.37	-109.59
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300017834066	1	31	-2.0	-116.07	298.31	4.37	-111.70
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017834071	0	31	-2.0	-131.13	288.77	4.47	-126.66
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300017834094	1	31	-2.0	-121.94	292.17	4.31	-117.63
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017834109	1	34	-2.0	-122.07	320.45	4.40	-117.67
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300017834110	1	34	-2.0	-124.34	334.93	6.11	-118.23
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300017834117	1	28	-2.0	-118.67	286.17	3.74	-114.93
CC1=CC(F)=C(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)C(F)=C1	REAL300017834144	1	34	-2.0	-130.66	310.18	5.15	-125.51
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017834149	1	31	-2.0	-121.91	302.51	4.77	-117.14
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)S1	REAL300017834154	1	34	-2.0	-93.92	322.77	0.84	-93.08
CC1=C(S(=O)(=O)NC[C@@]2(C(=O)[O-])C[C@H]2C)C=C(C(=O)[O-])S1	REAL300017834156	0	34	-2.0	-106.30	322.29	4.67	-101.63
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017834175	1	28	-2.0	-113.08	303.13	4.35	-108.73
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834183	1	37	-2.0	-136.91	333.11	2.78	-134.13
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017834208	1	33	-2.0	-125.01	318.06	6.36	-118.65
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300017834215	0	31	-2.0	-109.22	307.51	4.67	-104.55
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C[C@@]1(C(=O)[O-])C[C@H]1C	REAL300017834224	1	35	-2.0	-125.56	317.90	4.68	-120.88
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017834246	0	31	-2.0	-124.33	302.60	5.05	-119.28
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017834256	1	31	-2.0	-113.04	310.54	5.58	-107.46
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017834260	0	31	-2.0	-119.11	301.34	4.60	-114.51
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017834293	1	31	-2.0	-114.27	320.87	6.02	-108.25
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017834300	0	31	-2.0	-114.20	312.75	4.91	-109.29
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017834302	1	31	-2.0	-114.05	313.01	4.93	-109.12
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017834303	1	31	-2.0	-113.15	298.70	4.39	-108.76
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017834316	0	31	-2.0	-120.16	295.44	4.56	-115.60
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300017834331	1	31	-2.0	-131.72	298.76	3.69	-128.03
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)C(F)=C1Cl	REAL300017834338	0	38	-2.0	-128.38	358.35	3.98	-124.40
COC(=O)C1=CC(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)=C(Br)O1	REAL300017834344	1	34	-2.0	-112.60	339.55	3.58	-109.02
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017834376	1	32	-2.0	-111.69	326.21	5.14	-106.55
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1F	REAL300017834382	1	37	-2.0	-124.43	355.67	5.38	-119.05
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)O1	REAL300017834405	1	37	-2.0	-117.57	337.70	3.56	-114.01
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)=C1F	REAL300017834423	1	37	-2.0	-123.77	345.34	4.94	-118.83
COC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)O1	REAL300017834495	1	34	-2.0	-116.18	319.82	2.97	-113.21
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017834497	0	33	-2.0	-136.60	303.24	5.92	-130.68
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017834500	1	31	-2.0	-125.12	299.91	5.13	-119.99
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017834508	0	33	-2.0	-123.37	330.71	6.93	-116.44
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)O1	REAL300017834521	1	37	-2.0	-118.55	345.67	3.66	-114.89
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017834526	1	34	-2.0	-124.15	318.55	6.34	-117.81
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017834527	1	33	-2.0	-122.91	322.91	6.46	-116.45
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017834530	1	28	-2.0	-117.66	290.03	3.86	-113.80
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017834535	1	30	-2.0	-113.75	310.16	3.52	-110.23
CCN1C=C(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)C([N+](=O)[O-])=N1	REAL300017834539	1	36	-2.0	-126.09	330.58	5.07	-121.02
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017834540	1	33	-2.0	-129.32	313.93	5.61	-123.71
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017834543	1	33	-2.0	-124.96	322.61	6.46	-118.50
C[C@@H]1C[C@@]1(CNS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017834545	1	39	-2.0	-95.29	349.69	1.04	-94.25
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017834563	1	33	-2.0	-131.97	310.62	6.46	-125.51
CCCCCCN1C=C(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])C[C@H]2C)C(=O)NC1=O	REAL300017834585	1	49	-2.0	-124.06	416.77	4.97	-119.09
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017834591	1	28	-2.0	-118.09	288.65	2.65	-115.44
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017834593	1	28	-2.0	-113.23	307.76	4.45	-108.78
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017834608	0	32	-2.0	-119.04	309.83	4.88	-114.16
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017834627	1	30	-2.0	-110.69	305.98	3.39	-107.30
C[C@@H]1C[C@@]1(C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017834653	1	31	-2.0	-112.96	315.43	5.32	-107.64
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C2	REAL300017839005	0	29	-2.0	-103.55	298.41	4.36	-99.19
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300017839014	1	33	-2.0	-118.52	308.49	4.36	-114.16
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C2	REAL300017839033	0	29	-2.0	-114.19	293.18	4.74	-109.45
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C2	REAL300017839043	1	29	-2.0	-107.04	301.17	5.26	-101.78
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C2	REAL300017839047	0	29	-2.0	-112.56	292.25	4.28	-108.28
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C2	REAL300017839080	1	29	-2.0	-108.06	311.49	5.69	-102.37
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C2	REAL300017839086	0	29	-2.0	-108.32	303.32	4.61	-103.71
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C2	REAL300017839088	1	29	-2.0	-108.26	303.64	4.61	-103.65
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C2	REAL300017839089	1	29	-2.0	-107.20	289.34	4.06	-103.14
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C2	REAL300017839099	0	29	-2.0	-113.15	286.07	4.22	-108.93
CN1C=NC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300017839114	1	29	-2.0	-121.46	288.64	3.45	-118.01
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1Cl	REAL300017839121	0	36	-2.0	-120.09	348.90	3.68	-116.41
COC(=O)C1=CC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Br)O1	REAL300017839127	1	32	-2.0	-104.47	330.50	3.29	-101.18
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H](F)CC[C@H]1C(=O)[O-]	REAL300017859079	0	37	-2.0	-119.53	316.62	6.87	-112.66
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1	REAL300017859080	0	41	-2.0	-97.15	353.73	5.00	-92.15
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1C[C@H](F)CC[C@H]1C(=O)[O-]	REAL300017859081	0	42	-2.0	-118.14	357.15	7.39	-110.75
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1C[C@H](F)CC[C@H]1C(=O)[O-]	REAL300017859082	0	41	-2.0	-120.98	348.34	6.95	-114.03
COC1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1CC(=O)[O-]	REAL300017859083	0	41	-2.0	-105.55	345.01	6.47	-99.08
CC1=CC(C)=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017859084	0	40	-2.0	-132.57	322.38	7.36	-125.21
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H](F)CC[C@H]1C(=O)[O-]	REAL300017859085	0	38	-2.0	-110.14	317.05	4.91	-105.23
COC1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300017859086	0	42	-2.0	-100.02	350.72	6.08	-93.94
CCOC1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017859087	0	41	-2.0	-106.28	346.28	7.38	-98.90
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CS1	REAL300017859088	0	31	-2.0	-122.77	287.79	5.38	-117.39
CC1=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017859089	0	34	-2.0	-121.29	299.94	5.26	-116.03
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CC2=C1OCCO2	REAL300017859090	0	40	-2.0	-107.77	336.70	6.11	-101.66
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1Cl	REAL300017859091	0	38	-2.0	-95.87	341.68	7.16	-88.71
CC1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300017859092	0	41	-2.0	-98.65	345.61	7.33	-91.32
CC1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C(C)=C1C(=O)[O-]	REAL300017859093	0	40	-2.0	-105.02	329.89	7.45	-97.57
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C[C@H](F)CC[C@H]1C(=O)[O-]	REAL300017859094	0	37	-2.0	-105.05	307.54	6.83	-98.22
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1	REAL300017859095	0	34	-2.0	-95.40	302.16	6.39	-89.01
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C(Cl)=C1	REAL300017859096	0	34	-2.0	-98.26	306.35	6.67	-91.59
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1F	REAL300017859097	0	34	-2.0	-99.73	299.08	6.38	-93.35
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H](F)CC[C@H]1C(=O)[O-]	REAL300017859098	0	37	-2.0	-121.25	325.32	7.26	-113.99
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CC(Cl)=C1F	REAL300017859099	0	34	-2.0	-117.75	315.26	6.87	-110.88
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CC(F)=C1Cl	REAL300017859100	0	34	-2.0	-114.46	312.90	6.78	-107.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1F	REAL300017859101	0	37	-2.0	-120.97	324.01	7.09	-113.88
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H](F)CC[C@H]1C(=O)[O-]	REAL300017859161	0	38	-2.0	-130.21	326.03	6.21	-124.00
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CC=C1O	REAL300017859162	0	35	-2.0	-126.32	305.98	4.46	-121.86
O=C([O-])C=CC1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1	REAL300017859163	0	38	-2.0	-102.83	328.70	7.70	-95.13
O=C([O-])CCC1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1	REAL300017859164	0	40	-2.0	-99.95	340.90	7.99	-91.96
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1	REAL300017859165	0	34	-2.0	-119.74	303.87	6.47	-113.27
O=C([O-])CC1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1	REAL300017859166	0	37	-2.0	-104.09	319.50	7.19	-96.90
COC1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017859167	0	38	-2.0	-132.12	324.46	6.48	-125.64
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1	REAL300017859168	0	38	-2.0	-99.78	326.83	6.60	-93.18
O=C([O-])COC1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1F	REAL300017859169	0	38	-2.0	-96.36	331.88	6.68	-89.68
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C(F)=C1	REAL300017859170	0	34	-2.0	-97.19	303.78	6.46	-90.73
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1Cl	REAL300017859171	0	34	-2.0	-98.20	307.05	6.74	-91.46
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1	REAL300017859172	0	37	-2.0	-102.56	323.48	7.09	-95.47
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1	REAL300017859173	0	42	-2.0	-99.11	360.98	7.82	-91.29
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1	REAL300017859174	0	34	-2.0	-109.50	310.11	6.51	-102.99
CC1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300017859175	0	40	-2.0	-101.51	327.22	7.38	-94.13
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1	REAL300017859176	0	36	-2.0	-92.76	322.78	7.01	-85.75
COC1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300017859177	0	38	-2.0	-102.00	333.62	6.67	-95.33
CC1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300017859178	0	37	-2.0	-98.70	320.60	6.97	-91.73
CC1=CC(F)=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017859179	0	37	-2.0	-121.57	323.81	7.10	-114.47
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1Cl	REAL300017859180	0	37	-2.0	-122.36	325.02	7.21	-115.15
CC1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300017859181	0	37	-2.0	-97.34	326.99	7.28	-90.06
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1C[C@H](F)CC[C@H]1C(=O)[O-]	REAL300017859182	0	37	-2.0	-96.94	321.38	7.17	-89.77
COC1=CC(Cl)=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017859183	0	38	-2.0	-127.45	333.54	6.71	-120.74
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300017859184	0	36	-2.0	-102.86	310.89	7.48	-95.38
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])S1	REAL300017859185	0	31	-2.0	-105.16	287.31	5.48	-99.68
O=C([O-])CC1=CC=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1	REAL300017859186	0	37	-2.0	-118.72	319.38	7.18	-111.54
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300017859187	0	36	-2.0	-127.04	323.76	7.48	-119.56
CC1=CC(C)=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300017859188	0	46	-2.0	-118.46	360.79	9.12	-109.34
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300017859189	0	36	-2.0	-101.29	314.98	7.81	-93.48
CC(C)(C)C1=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017859190	0	43	-2.0	-109.10	345.25	7.92	-101.18
CC1=C(Cl)C=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017859191	0	37	-2.0	-97.07	329.20	7.41	-89.66
CC1=C(F)C=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C1C(=O)[O-]	REAL300017859192	0	37	-2.0	-96.88	320.43	7.00	-89.88
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CC2=CC=CC=C21	REAL300017859193	0	40	-2.0	-138.73	336.35	8.44	-130.29
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C(F)C(F)=C1F	REAL300017859310	0	34	-2.0	-107.04	312.10	6.10	-100.94
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1C[C@H](F)CC[C@H]1C(=O)[O-]	REAL300017859312	0	38	-2.0	-105.15	326.03	6.19	-98.96
O=C([O-])C1=CC=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1F	REAL300017859313	0	34	-2.0	-101.34	301.92	6.41	-94.93
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017859327	0	36	-3.0	-191.99	322.94	6.89	-185.10
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1	REAL300017859328	0	38	-2.0	-103.18	324.56	5.59	-97.59
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1	REAL300017859329	0	34	-3.0	-203.94	304.03	5.01	-198.93
O=C([O-])C1=CC=C(O)C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1	REAL300017859329	1	35	-2.0	-126.43	307.69	4.02	-122.41
O=C([O-])C1=CC=NC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1	REAL300017859330	0	33	-2.0	-101.88	294.27	5.00	-96.88
CC1=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C(C(=O)[O-])=NN1	REAL300017859331	0	34	-2.0	-139.40	293.37	4.17	-135.23
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1C[C@H](F)CC[C@H]1C(=O)[O-]	REAL300017859332	0	37	-2.0	-108.76	312.18	6.87	-101.89
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C(Cl)O1	REAL300017859333	0	31	-2.0	-109.18	299.61	5.42	-103.76
O=C([O-])[C@@H]1CC[C@@H](F)CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300017859373	0	32	-2.0	-100.53	308.34	5.46	-95.07
O=C([O-])C1=C(F)C=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1F	REAL300017859436	0	34	-2.0	-99.22	306.42	6.44	-92.78
O=C([O-])C1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=CC(F)=C1F	REAL300017859437	0	34	-2.0	-116.37	305.37	6.43	-109.94
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=C1	REAL300017859466	1	37	-2.0	-112.20	324.73	3.78	-108.42
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])=N[N-]1	REAL300017859466	1	37	-2.0	-112.19	324.90	3.79	-108.40
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3C[C@H](F)CC[C@H]3C(=O)[O-])C=C2C1	REAL300017859556	0	41	-2.0	-107.01	339.07	8.21	-98.80
CCC1=C(S(=O)(=O)N2C[C@H](F)CC[C@H]2C(=O)[O-])C=C(C(=O)[O-])O1	REAL300017859570	0	37	-2.0	-121.18	317.62	6.04	-115.14
CCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)[O-]	REAL300017859576	0	40	-2.0	-101.24	331.10	4.51	-96.73
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017859577	0	45	-2.0	-100.71	357.47	6.31	-94.40
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017859578	0	46	-2.0	-101.87	359.88	6.93	-94.94
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017859579	0	43	-2.0	-102.31	347.21	6.17	-96.14
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017859581	0	36	-2.0	-95.33	317.54	4.89	-90.44
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017859582	0	36	-2.0	-101.36	315.15	4.60	-96.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300017859583	0	36	-2.0	-103.32	304.32	4.32	-99.00
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)[O-]	REAL300017859584	0	39	-2.0	-103.78	320.16	4.77	-99.01
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300017859585	0	36	-2.0	-97.07	303.80	4.22	-92.85
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1C	REAL300017859586	0	42	-2.0	-102.10	336.88	5.64	-96.46
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017859587	0	36	-2.0	-94.23	317.95	4.21	-90.02
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017859588	0	39	-2.0	-101.35	320.66	5.16	-96.19
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300017859589	0	33	-2.0	-96.94	296.09	3.35	-93.59
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017859590	0	42	-2.0	-100.91	335.47	6.02	-94.89
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)[O-]	REAL300017859591	0	37	-2.0	-100.38	309.73	3.65	-96.73
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300017859592	0	36	-2.0	-96.02	312.59	3.88	-92.14
CC1=C(C(=O)[O-])C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(C)O1	REAL300017859593	0	39	-2.0	-103.24	315.89	4.45	-98.79
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017859594	0	36	-2.0	-95.23	322.38	4.96	-90.27
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300017859595	0	39	-2.0	-102.12	314.46	4.94	-97.18
CCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)[O-]	REAL300017859596	0	42	-2.0	-103.53	337.48	5.43	-98.10
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1C(=O)[O-]	REAL300017859597	0	39	-2.0	-96.41	318.94	4.78	-91.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017859598	0	36	-2.0	-93.14	321.25	5.10	-88.04
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017859599	0	39	-2.0	-95.13	332.76	5.02	-90.11
CN1C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C(=O)N(C)C1=O	REAL300017859606	1	39	-2.0	-109.13	325.79	2.92	-106.21
CN1C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C(C(F)(F)F)=N1	REAL300017859635	1	36	-2.0	-104.70	319.20	2.82	-101.88
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017859637	1	35	-2.0	-99.56	319.23	5.99	-93.57
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300017859665	1	33	-2.0	-100.18	297.29	4.11	-96.07
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300017859670	0	33	-2.0	-111.86	287.73	4.21	-107.65
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300017859693	1	33	-2.0	-104.06	291.11	4.05	-100.01
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300017859708	1	36	-2.0	-102.12	315.38	4.40	-97.72
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017859709	1	36	-2.0	-107.43	330.51	6.00	-101.43
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300017859716	1	30	-2.0	-102.75	287.18	3.42	-99.33
CC1=CC(F)=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C(F)=C1	REAL300017859742	1	36	-2.0	-111.24	309.13	4.89	-106.35
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017859748	1	33	-2.0	-104.09	301.44	4.51	-99.58
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300017859753	1	36	-2.0	-92.21	315.75	-0.01	-92.22
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017859755	0	36	-2.0	-99.86	313.52	4.18	-95.68
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017859774	1	30	-2.0	-96.62	302.05	4.09	-92.53
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300017859782	1	39	-2.0	-118.87	333.34	2.40	-116.47
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017859807	1	35	-2.0	-107.87	313.72	5.93	-101.94
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017859814	0	33	-2.0	-93.25	306.45	4.41	-88.84
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300017859823	1	37	-2.0	-106.30	316.86	4.36	-101.94
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017859844	0	33	-2.0	-105.22	301.55	4.79	-100.43
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017859854	1	33	-2.0	-96.91	309.23	5.33	-91.58
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017859858	0	33	-2.0	-101.58	300.28	4.34	-97.24
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017859891	1	33	-2.0	-97.81	319.55	5.76	-92.05
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017859898	0	33	-2.0	-97.42	311.70	4.66	-92.76
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017859900	1	33	-2.0	-97.16	311.70	4.65	-92.51
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017859901	1	33	-2.0	-96.43	297.40	4.12	-92.31
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017859914	0	33	-2.0	-102.10	294.12	4.28	-97.82
CN1C=NC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1Cl	REAL300017859929	1	33	-2.0	-113.03	297.69	3.44	-109.59
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C(F)=C1Cl	REAL300017859936	0	40	-2.0	-110.65	357.31	3.73	-106.92
COC(=O)C1=CC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C(Br)O1	REAL300017859942	1	36	-2.0	-96.15	338.54	3.33	-92.82
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])O1	REAL300017860003	1	39	-2.0	-100.76	336.65	3.30	-97.46
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1F	REAL300017860021	1	39	-2.0	-106.18	344.01	4.68	-101.50
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])O1	REAL300017860092	1	36	-2.0	-99.74	318.75	2.72	-97.02
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300017860094	0	35	-2.0	-117.39	305.20	5.60	-111.79
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300017860097	1	33	-2.0	-107.82	298.84	4.88	-102.94
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300017860105	0	35	-2.0	-104.14	325.75	6.60	-97.54
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])O1	REAL300017860118	1	39	-2.0	-99.94	340.61	3.65	-96.29
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300017860123	1	36	-2.0	-106.75	317.66	6.06	-100.69
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300017860124	1	35	-2.0	-105.73	318.00	6.04	-99.69
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300017860127	1	30	-2.0	-101.89	291.51	3.52	-98.37
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300017860132	1	32	-2.0	-97.38	308.82	3.24	-94.14
CCN1C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300017860136	1	38	-2.0	-110.09	329.53	4.78	-105.31
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300017860137	1	35	-2.0	-112.64	312.62	5.31	-107.33
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300017860140	1	35	-2.0	-107.70	318.32	6.03	-101.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300017860142	1	41	-2.0	-94.52	352.94	0.67	-93.85
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300017860160	1	35	-2.0	-113.68	312.91	6.13	-107.55
CCCCCCN1C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C(=O)NC1=O	REAL300017860182	1	51	-2.0	-107.60	415.43	4.66	-102.94
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300017860188	1	30	-2.0	-99.35	283.59	2.66	-96.69
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300017860190	1	30	-2.0	-96.77	306.68	4.19	-92.58
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300017860205	0	34	-2.0	-101.48	308.50	4.60	-96.88
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300017860223	1	32	-2.0	-94.61	304.64	3.14	-91.47
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300017860249	1	33	-2.0	-97.61	314.37	5.06	-92.55
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CC1	REAL300017861023	1	30	-2.0	-120.15	298.57	5.50	-114.65
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CC1	REAL300017861029	0	28	-2.0	-106.72	287.92	3.94	-102.78
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1	REAL300017861038	1	32	-2.0	-123.57	297.88	3.93	-119.64
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC1	REAL300017861054	0	28	-2.0	-117.12	283.02	4.32	-112.80
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CC1	REAL300017861065	1	28	-2.0	-112.28	288.29	4.65	-107.63
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CC1	REAL300017861069	0	28	-2.0	-116.53	281.74	3.86	-112.67
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CC1	REAL300017861100	1	28	-2.0	-113.56	298.62	5.09	-108.47
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CC1	REAL300017861106	0	28	-2.0	-115.51	291.59	3.91	-111.60
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CC1	REAL300017861108	1	28	-2.0	-111.84	293.14	4.20	-107.64
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CC1	REAL300017861109	1	28	-2.0	-110.48	278.84	3.65	-106.83
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CC1	REAL300017861118	0	28	-2.0	-119.96	273.19	3.62	-116.34
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)C(F)=C1Cl	REAL300017861139	0	35	-2.0	-123.81	337.88	3.25	-120.56
COC(=O)C1=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)=C(Br)O1	REAL300017861145	1	31	-2.0	-106.28	316.73	2.84	-103.44
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NCCC2(C(=O)[O-])CCC2)=C1F	REAL300017866018	0	37	-2.0	-131.27	325.83	4.88	-126.39
O=C([O-])C1=CC(S(=O)(=O)NCCC2(C(=O)[O-])CCC2)=CC(F)=C1F	REAL300017866019	0	37	-2.0	-113.15	337.86	5.27	-107.88
O=C([O-])C1(CC[N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CCC1	REAL300017866027	0	34	-2.0	-122.20	326.74	5.17	-117.03
O=C([O-])C1(CC[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCC1	REAL300017866028	1	36	-2.0	-115.61	337.54	3.43	-112.18
O=C([O-])C1(CC[N-]S(=O)(=O)C2=CC=C(Cl)O2)CCC1	REAL300017866030	1	31	-2.0	-116.35	297.08	2.84	-113.51
O=C([O-])C1(CC[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCC1	REAL300017866035	1	34	-2.0	-117.49	324.84	4.84	-112.65
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCCC2(C(=O)[O-])CCC2)=C1	REAL300017866048	1	40	-2.0	-103.76	355.26	2.27	-101.49
CCOC(=O)C1=CC(S(=O)(=O)NCCC2(C(=O)[O-])CCC2)=N[N-]1	REAL300017866048	1	40	-2.0	-103.57	355.36	2.28	-101.29
O=C([O-])C1(CC[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCC1	REAL300017866070	1	31	-2.0	-112.99	322.41	4.33	-108.66
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCCC3(C(=O)[O-])CCC3)C=C2C1	REAL300017866134	0	44	-2.0	-111.52	370.42	7.03	-104.49
O=C([O-])C1(CC[N-]S(=O)(=O)C2=C(F)N(C3=CC=CC=C3)N=C2)CCC1	REAL300017866139	1	41	-2.0	-122.76	362.21	5.26	-117.50
CCC1=C(S(=O)(=O)NCCC2(C(=O)[O-])CCC2)C=C(C(=O)[O-])O1	REAL300017866148	0	40	-2.0	-116.02	348.92	5.04	-110.98
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1C(=O)[O-]	REAL300017866154	0	38	-2.0	-102.43	343.93	5.10	-97.33
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866155	0	43	-2.0	-120.80	369.05	6.96	-113.84
CC1CC1C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C(=O)[O-]	REAL300017866156	0	44	-2.0	-119.80	370.00	7.56	-112.24
CC1CC1C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C(=O)[O-]	REAL300017866157	0	41	-2.0	-115.76	351.80	6.73	-109.03
CC1CC1C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(=O)[O-]	REAL300017866159	0	34	-2.0	-105.31	328.34	5.52	-99.79
CC1CC1C(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017866160	0	34	-2.0	-115.63	327.60	5.26	-110.37
CC1CC1C(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017866161	0	34	-2.0	-110.37	313.54	4.94	-105.43
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1C(=O)[O-]	REAL300017866162	0	37	-2.0	-102.50	331.15	5.41	-97.09
CC1CC1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(=O)[O-]	REAL300017866163	0	34	-2.0	-105.47	307.98	4.79	-100.68
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C1C	REAL300017866164	0	40	-2.0	-114.25	342.16	6.29	-107.96
CC1CC1C(NS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(=O)[O-]	REAL300017866165	0	34	-2.0	-104.34	328.43	4.81	-99.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866166	0	37	-2.0	-111.82	324.33	5.73	-106.09
CC1CC1C(NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(=O)[O-]	REAL300017866167	0	31	-2.0	-99.14	309.00	3.92	-95.22
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866168	0	40	-2.0	-119.11	346.42	6.70	-112.41
CC1CC1C(NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017866169	0	35	-2.0	-101.62	322.55	4.23	-97.39
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C1	REAL300017866170	0	34	-2.0	-103.95	324.75	4.58	-99.37
CC1=C(C(=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=C(C)O1	REAL300017866171	0	37	-2.0	-124.70	320.62	5.10	-119.60
CC1CC1C(NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C(=O)[O-]	REAL300017866172	0	34	-2.0	-109.37	331.57	5.50	-103.87
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1C	REAL300017866173	0	37	-2.0	-99.30	323.22	5.64	-93.66
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C1C(=O)[O-]	REAL300017866174	0	40	-2.0	-119.17	347.33	6.01	-113.16
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2C)=CC=C1C(=O)[O-]	REAL300017866175	0	37	-2.0	-99.56	331.09	5.43	-94.13
CC1CC1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)C(=O)[O-]	REAL300017866176	0	34	-2.0	-101.05	320.71	5.42	-95.63
CC1CC1C(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017866177	0	37	-2.0	-94.85	343.21	5.65	-89.20
CC1CC1C([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300017866184	1	37	-2.0	-141.26	323.04	3.69	-137.57
CC1CC1C([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300017866212	1	34	-2.0	-131.94	318.60	3.52	-128.42
CC1CC1C([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017866214	1	33	-2.0	-130.45	321.07	6.80	-123.65
CC1CC1C([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300017866241	1	31	-2.0	-127.88	298.02	4.84	-123.04
CC1CC1C([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017866246	0	31	-2.0	-145.78	284.79	4.93	-140.85
CC1CC1C([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300017866269	1	31	-2.0	-130.98	292.81	4.12	-126.86
CC1CC1C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017866284	1	34	-2.0	-131.87	316.14	5.13	-126.74
CC1CC1C([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300017866285	1	34	-2.0	-137.59	327.77	6.86	-130.73
CC1CC1C([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300017866292	1	28	-2.0	-134.89	284.24	4.14	-130.75
CC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2C)C(F)=C1	REAL300017866319	1	34	-2.0	-145.18	302.88	5.57	-139.61
CC1CC1C([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017866324	1	31	-2.0	-131.32	303.14	4.58	-126.74
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)S1	REAL300017866329	1	34	-2.0	-98.42	327.23	0.68	-97.74
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2C)C=C(C(=O)[O-])S1	REAL300017866331	0	34	-2.0	-115.56	325.21	4.87	-110.69
CC1CC1C([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017866350	1	28	-2.0	-128.31	302.80	4.82	-123.49
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1CC1C	REAL300017866358	1	37	-2.0	-150.10	325.84	2.96	-147.14
CC1CC1C([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017866383	1	33	-2.0	-141.97	315.24	6.75	-135.22
CC1CC1C([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300017866390	0	31	-2.0	-120.80	303.51	5.12	-115.68
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1CC1C	REAL300017866399	1	35	-2.0	-134.20	318.55	4.48	-129.72
CC1CC1C([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017866421	0	31	-2.0	-132.83	298.61	5.49	-127.34
CC1CC1C([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017866431	1	31	-2.0	-123.73	302.97	5.96	-117.77
CC1CC1C([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017866435	0	31	-2.0	-132.02	297.34	5.06	-126.96
CC1CC1C([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017866468	1	31	-2.0	-127.38	317.86	6.42	-120.96
CC1CC1C([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017866475	0	31	-2.0	-128.69	312.43	5.38	-123.31
CC1CC1C([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017866477	1	31	-2.0	-127.88	312.45	5.38	-122.50
CC1CC1C([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017866478	1	31	-2.0	-127.15	298.15	4.84	-122.31
CC1CC1C([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017866491	0	31	-2.0	-135.39	292.43	4.99	-130.40
CC1CC1C([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300017866506	1	31	-2.0	-146.56	297.42	4.26	-142.30
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2C)C(F)=C1Cl	REAL300017866513	0	38	-2.0	-144.40	355.63	4.42	-139.98
COC(=O)C1=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2C)=C(Br)O1	REAL300017866519	1	34	-2.0	-124.50	335.58	4.08	-120.42
CC1CC1C([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300017866551	1	32	-2.0	-126.86	323.50	5.61	-121.25
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2C)=C1F	REAL300017866557	1	37	-2.0	-134.45	351.59	6.01	-128.44
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2C)O1	REAL300017866580	1	37	-2.0	-125.62	338.34	3.37	-122.25
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2C)=C1F	REAL300017866598	1	37	-2.0	-133.98	341.11	5.58	-128.40
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2C)O1	REAL300017866670	1	34	-2.0	-127.74	313.44	4.00	-123.74
CC1CC1C([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017866672	0	33	-2.0	-153.27	300.34	6.13	-147.14
CC1CC1C([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300017866675	1	31	-2.0	-139.02	299.59	5.56	-133.46
CC1CC1C([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017866683	0	33	-2.0	-131.27	326.68	7.35	-123.92
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2C)O1	REAL300017866696	1	37	-2.0	-128.22	335.15	4.92	-123.30
CC1CC1C([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300017866701	1	34	-2.0	-139.93	313.26	6.63	-133.30
CC1CC1C([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017866702	1	33	-2.0	-128.80	305.28	7.44	-121.36
CC1CC1C([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300017866705	1	28	-2.0	-133.42	288.57	4.25	-129.17
CC1CC1C([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300017866710	1	30	-2.0	-126.36	309.56	3.97	-122.39
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2C)C([N+](=O)[O-])=N1	REAL300017866714	1	36	-2.0	-135.36	326.59	5.55	-129.81
CC1CC1C([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300017866715	1	33	-2.0	-141.57	313.37	6.06	-135.51
CC1CC1C([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017866718	1	33	-2.0	-141.77	319.80	6.86	-134.91
CC1CC1C(NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300017866720	1	39	-2.0	-105.48	358.85	1.14	-104.34
CC1CC1C([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017866738	1	33	-2.0	-148.71	308.39	6.66	-142.05
CCCCCCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2C)C(=O)NC1=O	REAL300017866760	1	49	-2.0	-130.49	412.53	5.61	-124.88
CC1CC1C([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300017866766	1	28	-2.0	-128.27	278.12	3.93	-124.34
CC1CC1C([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300017866768	1	28	-2.0	-128.27	307.43	4.92	-123.35
CC1CC1C([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300017866783	0	32	-2.0	-134.46	306.82	5.31	-129.15
CC1CC1C([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017866802	1	30	-2.0	-122.03	302.95	3.83	-118.20
CC1CC1C([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017866828	1	31	-2.0	-125.89	315.13	5.78	-120.11
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300017933001	0	38	-2.0	-103.15	332.69	6.07	-97.08
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300017933002	0	35	-2.0	-103.65	320.02	5.30	-98.35
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300017933003	0	28	-2.0	-96.94	278.69	3.45	-93.49
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300017933004	0	28	-2.0	-101.00	289.61	3.78	-97.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC=CC(=O)[O-])=C1C	REAL300017933005	0	34	-2.0	-103.67	308.68	4.83	-98.84
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(CC(=O)[O-])S1	REAL300017933006	0	28	-2.0	-96.25	291.67	3.33	-92.92
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC=CC(=O)[O-]	REAL300017933007	0	34	-2.0	-102.30	308.76	5.18	-97.12
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCC=CC(=O)[O-])=C1	REAL300017933008	0	28	-2.0	-97.46	286.21	3.07	-94.39
CC1=C(C(=O)[O-])C(S(=O)(=O)NCC=CC(=O)[O-])=C(C)O1	REAL300017933009	0	31	-2.0	-106.49	291.50	3.76	-102.73
O=C([O-])C=CCNS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300017933010	0	28	-2.0	-96.86	283.20	3.46	-93.40
CCC1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C=C1C(=O)[O-]	REAL300017933011	0	34	-2.0	-104.10	311.37	4.57	-99.53
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300017933012	0	28	-2.0	-95.12	293.48	4.13	-90.99
O=C([O-])C=CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300017933013	0	31	-2.0	-97.37	307.22	4.20	-93.17
CN1C=C(S(=O)(=O)[N-]CC=CC(=O)[O-])C(=O)N(C)C1=O	REAL300017933018	1	31	-2.0	-110.79	292.97	1.45	-109.34
CN1C=C(S(=O)(=O)[N-]CC=CC(=O)[O-])C(C(F)(F)F)=N1	REAL300017933033	1	28	-2.0	-107.86	286.38	1.34	-106.52
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300017933034	1	27	-2.0	-103.62	287.51	4.61	-99.01
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300017933050	1	25	-2.0	-100.42	291.30	4.35	-96.07
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300017933082	1	28	-2.0	-109.43	297.68	4.48	-104.95
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC=CC(=O)[O-])C(F)=C1	REAL300017933083	1	39	-2.0	-96.44	360.14	1.07	-95.37
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC=CC(=O)[O-])S1	REAL300017933116	1	28	-2.0	-92.64	290.29	-0.81	-93.45
CC1=C(S(=O)(=O)NCC=CC(=O)[O-])C=C(C(=O)[O-])S1	REAL300017933117	0	28	-2.0	-101.54	285.99	3.34	-98.20
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017933134	1	22	-2.0	-98.80	269.23	2.59	-96.21
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC=CC(=O)[O-]	REAL300017933139	1	31	-2.0	-121.05	300.52	0.94	-120.11
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017933159	1	27	-2.0	-112.29	281.66	4.56	-107.73
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017933165	0	25	-2.0	-95.33	273.63	2.91	-92.42
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC=CC(=O)[O-]	REAL300017933172	1	29	-2.0	-108.51	284.04	2.91	-105.60
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017933183	0	25	-2.0	-108.05	268.76	3.29	-104.76
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017933191	1	25	-2.0	-99.61	276.41	3.81	-95.80
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017933194	0	25	-2.0	-103.69	267.48	2.84	-100.85
O=C([O-])C=CC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017933220	1	25	-2.0	-100.49	286.74	4.24	-96.25
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017933223	0	25	-2.0	-99.55	278.89	3.16	-96.39
O=C([O-])C=CC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017933225	1	25	-2.0	-99.45	278.89	3.16	-96.29
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CC=CC(=O)[O-])C(F)=C1Cl	REAL300017933250	0	32	-2.0	-112.72	324.52	2.22	-110.50
COC(=O)C1=CC(S(=O)(=O)[N-]CC=CC(=O)[O-])=C(Br)O1	REAL300017933256	1	28	-2.0	-97.92	305.73	1.83	-96.09
C#CCC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934001	0	33	-2.0	-109.62	316.43	4.23	-105.39
C#CCC[C@H](NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1)C(=O)[O-]	REAL300017934002	0	32	-2.0	-107.84	321.18	4.60	-103.24
C#CCC[C@H](NS(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-])C(=O)[O-]	REAL300017934003	0	35	-2.0	-124.36	324.11	5.23	-119.13
C#CCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C(=O)[O-]	REAL300017934004	0	32	-2.0	-106.45	326.42	5.40	-101.05
C#CCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)C(=O)[O-]	REAL300017934005	0	35	-2.0	-110.91	315.53	5.52	-105.39
C#CCC[C@H](NS(=O)(=O)C1=CC=C(CC)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934006	0	38	-2.0	-117.84	346.27	6.10	-111.74
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)C(=O)[O-]	REAL300017934007	0	35	-2.0	-105.26	328.05	5.46	-99.80
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)C(=O)[O-]	REAL300017934008	0	32	-2.0	-98.72	326.43	5.64	-93.08
C#CCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017934009	0	35	-2.0	-103.48	342.16	5.72	-97.76
C#CCC[C@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300017934016	1	35	-2.0	-127.68	328.09	3.05	-124.63
C#CCC[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300017934043	1	32	-2.0	-131.06	313.98	3.41	-127.65
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934045	1	31	-2.0	-126.39	316.26	6.61	-119.78
C#CCC[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300017934072	1	29	-2.0	-124.53	298.96	4.24	-120.29
C#CCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300017934077	0	29	-2.0	-143.58	284.53	4.91	-138.67
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300017934100	1	29	-2.0	-133.80	287.93	4.77	-129.03
C#CCC[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017934115	1	32	-2.0	-128.58	310.29	5.16	-123.42
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300017934116	1	32	-2.0	-136.61	327.33	6.71	-129.90
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300017934123	1	26	-2.0	-125.78	288.82	3.51	-122.27
C#CCC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(C)C=C1F)C(=O)[O-]	REAL300017934151	1	32	-2.0	-142.98	305.96	5.57	-137.41
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017934156	1	29	-2.0	-134.01	298.26	5.22	-128.79
C#CCC[C@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300017934161	1	32	-2.0	-106.32	325.23	0.73	-105.59
C#CCC[C@H](NS(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017934162	0	32	-2.0	-108.22	318.88	4.86	-103.36
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017934181	1	26	-2.0	-122.51	298.87	4.79	-117.72
C#CCC[C@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OCC)C(=O)[O-]	REAL300017934189	1	35	-2.0	-150.85	330.17	3.16	-147.69
C#CCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017934212	1	31	-2.0	-132.54	314.71	6.31	-126.23
C#CCC[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300017934219	0	29	-2.0	-119.16	303.28	5.10	-114.06
C#CCC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300017934228	1	33	-2.0	-134.15	318.81	4.51	-129.64
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017934247	0	29	-2.0	-136.17	298.40	5.48	-130.69
C#CCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017934257	1	29	-2.0	-122.52	306.05	5.98	-116.54
C#CCC[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017934261	0	29	-2.0	-124.82	301.83	4.45	-120.37
CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C(F)=C1F	REAL300017941003	1	34	-2.0	-93.16	316.44	2.69	-90.47
CO[C@@H](C)[C@H](C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017941007	0	37	-2.0	-107.44	333.27	3.31	-104.13
CO[C@@H](C)[C@H](C)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017941009	0	35	-2.0	-105.03	311.14	1.48	-103.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=NC=C2F)=C1	REAL300017941080	1	33	-2.0	-95.60	326.32	3.87	-91.73
O=C([O-])C1=CC(S(=O)(=O)[N-]CCC2=CC=NC=C2F)=C(F)C(F)=C1F	REAL300017941100	1	33	-2.0	-92.79	330.70	3.89	-88.90
O=C([O-])C1=CC(S(=O)(=O)NCCC2=CC=NC=C2F)=CC(C(=O)[O-])=C1	REAL300017941104	0	36	-2.0	-113.48	345.21	4.71	-108.77
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCCC2=CC=NC=C2F)=C1	REAL300017941106	0	34	-2.0	-107.43	315.21	2.76	-104.67
CC1CC(CO)N1S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(=O)[O-])=C1	REAL300017941207	0	35	-2.0	-112.68	317.41	2.04	-110.64
CC1CC(CO)N1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1[O-]	REAL300017941209	0	33	-2.0	-110.52	288.70	0.17	-110.35
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(N3C=CN=N3)CC2)=C1	REAL300017941281	1	34	-2.0	-90.43	326.10	3.32	-87.11
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2(N3C=CN=N3)CC2)=C(F)C(F)=C1F	REAL300017941301	1	34	-2.0	-88.13	330.50	3.34	-84.79
O=C([O-])C1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(N3C=CN=N3)CC2)=C1	REAL300017941305	0	37	-2.0	-109.63	351.56	3.66	-105.97
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCC2(N3C=CN=N3)CC2)=C1	REAL300017941307	0	35	-2.0	-102.11	318.63	1.61	-100.50
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCCNS(=O)(=O)CC2)=C1	REAL300017941366	0	40	-2.0	-118.63	328.69	1.16	-117.47
CCN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017941374	0	35	-2.0	-101.35	320.95	4.44	-96.91
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941375	0	40	-2.0	-116.65	344.71	6.15	-110.50
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2)C(=O)[O-]	REAL300017941376	0	41	-2.0	-118.25	348.55	6.80	-111.45
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2)C(=O)[O-]	REAL300017941377	0	38	-2.0	-119.01	335.85	6.14	-112.87
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C(=O)[O-]	REAL300017941379	0	31	-2.0	-94.06	299.21	4.66	-89.40
CC(C)(ONS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C(=O)[O-]	REAL300017941380	0	31	-2.0	-118.36	305.44	4.61	-113.75
CC(C)(ONS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C(=O)[O-]	REAL300017941381	0	31	-2.0	-99.55	292.94	4.22	-95.33
CC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017941382	0	34	-2.0	-121.59	308.96	4.75	-116.84
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C(=O)[O-]	REAL300017941383	0	31	-2.0	-102.64	292.93	4.23	-98.41
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1C	REAL300017941384	0	37	-2.0	-96.37	315.86	5.35	-91.02
CC(C)(ONS(=O)(=O)C1=CC=C(CC(=O)[O-])S1)C(=O)[O-]	REAL300017941385	0	31	-2.0	-102.64	307.52	4.16	-98.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941386	0	34	-2.0	-95.66	298.88	4.83	-90.83
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C(=O)[O-]	REAL300017941387	0	28	-2.0	-98.42	286.12	3.25	-95.17
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941388	0	37	-2.0	-116.85	324.25	5.81	-111.04
CN1C=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017941389	0	32	-2.0	-100.59	299.59	3.58	-97.01
CC1=C(C(=O)[O-])SC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C1	REAL300017941390	0	31	-2.0	-106.94	302.05	3.90	-103.04
CC1=C(C(=O)[O-])C(S(=O)(=O)NOC(C)(C)C(=O)[O-])=C(C)O1	REAL300017941391	0	34	-2.0	-132.68	308.93	4.65	-128.03
CC(C)(ONS(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C(=O)[O-]	REAL300017941392	0	31	-2.0	-93.45	303.73	4.68	-88.77
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NOC(C)(C)C(=O)[O-]	REAL300017941393	0	34	-2.0	-119.68	293.81	4.69	-114.99
CCC1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C1C(=O)[O-]	REAL300017941394	0	37	-2.0	-122.16	327.17	5.40	-116.76
CC1=CC(S(=O)(=O)NOC(C)(C)C(=O)[O-])=CC=C1C(=O)[O-]	REAL300017941395	0	34	-2.0	-102.95	308.94	4.76	-98.19
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br)C(=O)[O-]	REAL300017941396	0	31	-2.0	-98.05	299.58	4.68	-93.37
CC(C)(ONS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C(=O)[O-]	REAL300017941397	0	34	-2.0	-98.69	323.05	5.03	-93.66
CN1C=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])C(=O)N(C)C1=O	REAL300017941403	0	34	-2.0	-121.87	310.47	3.02	-118.85
CC(C)(O[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300017941412	1	28	-2.0	-115.95	293.75	5.07	-110.88
CC(C)(O[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300017941418	1	32	-2.0	-118.53	315.19	3.86	-114.67
CC(C)(O[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300017941423	1	29	-2.0	-116.36	296.77	3.29	-113.07
CN1C=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300017941425	0	31	-2.0	-117.24	302.94	2.79	-114.45
CC(C)(O[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941427	0	30	-2.0	-114.51	304.86	5.80	-108.71
CC(C)(O[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300017941441	1	28	-2.0	-117.49	292.20	5.00	-112.49
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300017941448	1	28	-2.0	-120.39	287.52	5.31	-115.08
CC(C)(O[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300017941453	0	28	-2.0	-113.33	281.95	4.19	-109.14
CC(C)(O[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300017941458	1	28	-2.0	-116.16	286.12	4.58	-111.58
CC(C)(O[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300017941459	1	31	-2.0	-114.44	302.82	5.63	-108.81
CC(C)(O[N-]S(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300017941467	1	25	-2.0	-111.91	277.50	3.73	-108.18
CC(C)(O[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300017941493	1	31	-2.0	-114.35	300.06	4.46	-109.89
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300017941494	0	31	-2.0	-120.92	315.18	6.06	-114.86
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C(F)=C1	REAL300017941495	1	42	-2.0	-112.09	379.98	2.17	-109.92
CC(C)(O[N-]S(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300017941498	1	27	-2.0	-105.07	295.19	3.18	-101.89
CC(C)(O[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300017941513	1	31	-2.0	-115.03	301.12	1.56	-113.47
CC1=CC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C(F)C=C1Br	REAL300017941516	1	31	-2.0	-116.81	308.87	5.24	-111.57
CC(C)(O[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941517	1	33	-2.0	-119.23	321.17	6.27	-112.96
CC1=CC(F)=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])C(F)=C1	REAL300017941527	0	31	-2.0	-126.63	293.81	4.96	-121.67
CC(C)(O[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300017941532	1	28	-2.0	-119.17	286.12	4.58	-114.59
CC(=O)NC1=NC=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])S1	REAL300017941537	1	31	-2.0	-121.89	308.83	1.49	-120.40
CC1=C(S(=O)(=O)NOC(C)(C)C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017941538	0	31	-2.0	-95.35	293.96	4.00	-91.35
CC(C)(O[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300017941553	1	30	-2.0	-106.61	305.24	5.22	-101.39
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300017941556	0	25	-2.0	-110.66	286.72	4.15	-106.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])S1	REAL300017941563	1	31	-2.0	-111.98	311.77	3.76	-108.22
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017941564	1	34	-2.0	-134.25	318.01	2.51	-131.74
CC(C)(O[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300017941586	0	30	-2.0	-124.48	299.16	5.79	-118.69
CC(C)(O[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300017941592	0	28	-2.0	-106.45	291.13	4.48	-101.97
CC(C)(O[N-]S(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300017941595	1	28	-2.0	-114.96	286.77	4.75	-110.21
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]OC(C)(C)C(=O)[O-]	REAL300017941602	0	32	-2.0	-121.39	301.54	4.48	-116.91
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300017941619	0	28	-2.0	-120.08	286.22	4.86	-115.22
CC(C)(O[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300017941622	1	27	-2.0	-103.87	281.62	2.68	-101.19
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300017941630	0	28	-2.0	-110.80	293.90	5.38	-105.42
CC(C)(O[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300017941634	0	28	-2.0	-115.92	284.96	4.41	-111.51
CC(C)(O[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300017941638	1	30	-2.0	-108.37	312.67	3.79	-104.58
CC(C)(O[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300017941666	0	28	-2.0	-111.75	304.23	5.81	-105.94
CC(C)(O[N-]S(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300017941670	1	28	-2.0	-115.98	290.68	4.68	-111.30
CC(C)(O[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300017941671	1	28	-2.0	-103.58	282.89	4.18	-99.40
CC(C)(O[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300017941672	0	28	-2.0	-111.03	296.38	4.73	-106.30
CC(C)(O[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300017941674	0	28	-2.0	-111.02	296.38	4.73	-106.29
CC(C)(O[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300017941675	0	28	-2.0	-110.31	282.08	4.18	-106.13
CC(C)(O[N-]S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300017941679	1	31	-2.0	-113.76	292.48	5.18	-108.58
CC(C)(O[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300017941681	1	28	-2.0	-120.90	285.57	4.56	-116.34
CC(C)(O[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300017941685	0	28	-2.0	-117.05	278.80	4.35	-112.70
CC1=CC=C(Cl)C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1Cl	REAL300017941690	1	31	-2.0	-121.10	306.23	5.89	-115.21
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])C(F)=C1Cl	REAL300017941705	0	35	-2.0	-124.24	341.96	3.80	-120.44
COC(=O)C1=C(F)C=CC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1F	REAL300017941707	1	34	-2.0	-116.94	331.67	4.78	-112.16
CC1=CC(Br)=C(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])S1	REAL300017941709	1	28	-2.0	-118.27	298.07	4.35	-113.92
COC(=O)C1=CC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C(Br)O1	REAL300017941711	0	31	-2.0	-108.41	323.23	3.40	-105.01
CC(C)(O[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300017941724	1	33	-2.0	-108.11	314.38	5.78	-102.33
CC1=C(Br)SC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1	REAL300017941731	1	28	-2.0	-112.63	297.10	4.32	-108.31
CC(C)(O[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300017942015	0	28	-2.0	-111.76	305.51	5.14	-106.62
CC(C)(O[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300017942018	0	28	-2.0	-110.71	299.06	5.10	-105.61
CC1=C(Cl)SC(S(=O)(=O)[N-]OC(C)(C)C(=O)[O-])=C1	REAL300017942019	1	28	-2.0	-112.32	292.87	4.22	-108.10
CC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300017950015	1	34	-2.0	-130.16	304.24	4.68	-125.48
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300017950020	1	31	-2.0	-122.28	296.12	4.36	-117.92
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])S1	REAL300017950025	1	34	-2.0	-97.83	320.54	0.37	-97.46
CC1=C(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C=C(C(=O)[O-])S1	REAL300017950027	0	34	-2.0	-116.16	317.06	4.51	-111.65
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300017950046	1	28	-2.0	-114.32	296.75	3.93	-110.39
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950054	1	37	-2.0	-134.96	324.07	2.45	-132.51
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300017950079	1	33	-2.0	-124.71	310.64	5.86	-118.85
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300017950086	0	31	-2.0	-108.41	301.09	4.22	-104.19
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C(=O)[O-]	REAL300017950095	1	35	-2.0	-124.24	311.54	4.27	-119.97
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300017950117	0	31	-2.0	-126.11	297.22	4.62	-121.49
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300017950127	1	31	-2.0	-114.23	303.92	5.17	-109.06
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300017950131	0	31	-2.0	-118.38	294.60	4.20	-114.18
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300017950164	1	31	-2.0	-115.38	314.24	5.61	-109.77
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300017950171	0	31	-2.0	-114.58	306.38	4.52	-110.06
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300017950173	1	31	-2.0	-112.65	306.00	4.51	-108.14
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300017950174	1	31	-2.0	-111.95	291.70	3.96	-107.99
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300017950187	0	31	-2.0	-120.66	288.82	4.15	-116.51
CN1C=NC(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300017950202	1	31	-2.0	-132.79	292.57	3.31	-129.48
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1Cl	REAL300017950209	0	38	-2.0	-128.97	352.69	3.56	-125.41
COC(=O)C1=CC(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])=C(Br)O1	REAL300017950215	1	34	-2.0	-113.97	333.52	3.18	-110.79
O=C([O-])C1=CC(S(=O)(=O)N2CCCC2COC(F)F)=CC(C(=O)[O-])=C1	REAL300017972058	0	38	-2.0	-113.38	332.61	4.36	-109.02
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)N2CCCC2COC(F)F)=C1	REAL300017972060	0	36	-2.0	-112.12	321.63	2.89	-109.23
CCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C(=O)[O-]	REAL300017972069	0	38	-2.0	-109.44	324.96	4.85	-104.59
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300017972070	0	43	-2.0	-114.98	346.72	6.51	-108.47
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)CCC1	REAL300017972071	0	44	-2.0	-117.64	352.86	7.37	-110.27
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)CCC1	REAL300017972072	0	41	-2.0	-118.21	342.27	6.55	-111.66
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)CCC1	REAL300017972074	0	34	-2.0	-115.50	304.16	5.06	-110.44
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)CCC1	REAL300017972075	0	34	-2.0	-118.58	308.68	4.97	-113.61
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CCC1	REAL300017972076	0	34	-2.0	-105.57	296.25	4.58	-100.99
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C(=O)[O-]	REAL300017972077	0	37	-2.0	-123.34	312.16	5.14	-118.20
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCC1	REAL300017972078	0	34	-2.0	-107.66	296.16	4.60	-103.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1C	REAL300017972079	0	40	-2.0	-115.70	329.20	5.92	-109.78
O=C([O-])CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300017972080	0	34	-2.0	-98.84	310.37	4.44	-94.40
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300017972081	0	37	-2.0	-117.46	312.51	5.60	-111.86
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)CCC1	REAL300017972082	0	31	-2.0	-116.49	288.99	3.53	-112.96
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300017972083	0	40	-2.0	-101.80	310.43	5.78	-96.02
CN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C(=O)[O-]	REAL300017972084	0	35	-2.0	-108.72	302.97	3.92	-104.80
CC1=C(C(=O)[O-])SC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300017972085	0	34	-2.0	-105.98	304.99	4.18	-101.80
CC1=C(C(=O)[O-])C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C(C)O1	REAL300017972086	0	37	-2.0	-130.83	306.61	4.85	-125.98
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)CCC1	REAL300017972087	0	34	-2.0	-113.79	311.11	5.09	-108.70
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300017972088	0	37	-2.0	-100.21	307.04	5.28	-94.93
CCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C(=O)[O-]	REAL300017972089	0	40	-2.0	-113.23	330.54	5.87	-107.36
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CC=C1C(=O)[O-]	REAL300017972090	0	37	-2.0	-98.18	312.60	5.21	-92.97
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)CCC1	REAL300017972091	0	34	-2.0	-95.13	314.34	5.40	-89.73
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)CCC1	REAL300017972092	0	37	-2.0	-95.38	326.82	5.47	-89.91
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(=O)N(C)C1=O	REAL300017972099	1	37	-2.0	-133.83	318.41	2.97	-130.86
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(C(F)(F)F)=N1	REAL300017972127	1	34	-2.0	-124.73	310.39	2.90	-121.83
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCC1	REAL300017972129	1	33	-2.0	-109.96	310.75	6.09	-103.87
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCC1	REAL300017972156	1	31	-2.0	-121.55	289.24	4.31	-117.24
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCC1	REAL300017972161	0	31	-2.0	-134.39	279.96	4.41	-129.98
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCC1	REAL300017972184	1	31	-2.0	-123.35	283.08	4.25	-119.10
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCC1	REAL300017972199	1	34	-2.0	-123.53	307.52	4.65	-118.88
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCC1	REAL300017972200	1	34	-2.0	-126.99	323.68	6.14	-120.85
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CS2)CCC1	REAL300017972207	1	28	-2.0	-120.06	277.08	3.70	-116.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(F)=C1	REAL300017972234	1	34	-2.0	-133.40	301.38	5.07	-128.33
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCC1	REAL300017972239	1	31	-2.0	-123.78	293.41	4.71	-119.07
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300017972244	1	34	-2.0	-98.37	309.77	0.53	-97.84
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C(C(=O)[O-])S1	REAL300017972246	0	34	-2.0	-110.39	307.42	4.58	-105.81
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCC1	REAL300017972265	1	28	-2.0	-111.61	294.04	4.29	-107.32
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1	REAL300017972273	1	37	-2.0	-139.60	324.18	2.75	-136.85
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCC1	REAL300017972298	1	33	-2.0	-124.47	307.77	6.05	-118.42
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCC1	REAL300017972305	0	31	-2.0	-111.58	298.71	4.60	-106.98
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1	REAL300017972314	1	35	-2.0	-124.21	309.12	4.56	-119.65
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCC1	REAL300017972336	0	31	-2.0	-128.50	293.80	4.99	-123.51
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCC1	REAL300017972346	1	31	-2.0	-113.48	301.48	5.51	-107.97
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCC1	REAL300017972350	0	31	-2.0	-122.16	292.52	4.54	-117.62
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CCC1	REAL300017972383	1	31	-2.0	-114.85	311.81	5.94	-108.91
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CCC1	REAL300017972390	0	31	-2.0	-115.70	303.65	4.85	-110.85
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CCC1	REAL300017972392	1	31	-2.0	-115.42	303.65	4.85	-110.57
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCC1	REAL300017972393	1	31	-2.0	-114.00	289.35	4.31	-109.69
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCC1	REAL300017972406	0	31	-2.0	-122.16	286.37	4.47	-117.69
CN1C=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C1Cl	REAL300017972421	1	31	-2.0	-127.92	288.72	3.82	-124.10
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(F)=C1Cl	REAL300017972428	0	38	-2.0	-130.38	350.39	3.78	-126.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C(Br)O1	REAL300017972434	1	34	-2.0	-111.99	331.70	3.33	-108.66
COC(=O)[C@@H]1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(=O)[O-])=C2)C[C@H]1C(C)C	REAL300017975061	0	46	-2.0	-110.51	395.05	7.01	-103.50
COC(=O)[C@@H]1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2[O-])C[C@H]1C(C)C	REAL300017975063	0	44	-2.0	-110.32	368.65	5.09	-105.23
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=CC(Cl)=C2[O-])C=C1	REAL300017999373	1	38	-2.0	-98.21	330.91	7.83	-90.38
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC(Cl)=CC(F)=C2[O-])C=C1	REAL300017999374	1	38	-2.0	-92.23	335.97	7.82	-84.41
O=C([O-])C1=CC(NCC2=CC=CC(Cl)=C2[O-])=CC=C1N1CCCCC1	REAL300018049434	1	44	-2.0	-106.17	370.62	8.72	-97.45
O=C([O-])C1=CC(NCC2=CC(Cl)=CC(F)=C2[O-])=CC=C1N1CCCCC1	REAL300018049435	1	44	-2.0	-105.68	377.64	8.73	-96.95
CC(NCC1=CC(Cl)=CC(F)=C1[O-])C1=NC=C(C(=O)[O-])S1	REAL300018113534	1	31	-2.0	-90.52	312.89	3.97	-86.55
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NCC2=CC=CC(Cl)=C2[O-])C=C1	REAL300018128049	1	36	-2.0	-93.80	326.45	8.34	-85.46
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NCC2=CC(Cl)=CC(F)=C2[O-])C=C1	REAL300018128050	1	36	-2.0	-90.76	333.27	8.37	-82.39
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=CC(Cl)=C1[O-]	REAL300018278288	1	39	-2.0	-105.99	344.09	7.13	-98.86
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(F)=C1[O-]	REAL300018278289	1	39	-2.0	-104.37	350.90	7.15	-97.22
O=C([O-])C1CCN(C(=O)C2=CC=C(NCC3=CC=CC(Cl)=C3O)C=C2)CC1	REAL300018320679	0	46	-2.0	-94.40	391.82	8.10	-86.30
O=C([O-])C1CCN(C(=O)C2=CC=C(NCC3=CC=CC(Cl)=C3[O-])C=C2)CC1	REAL300018320679	1	46	-2.0	-94.40	391.82	8.10	-86.30
O=C([O-])COC1=CC=C(NCC2=CC=CC(Cl)=C2[O-])C=C1	REAL300018329037	1	33	-2.0	-91.00	307.15	6.42	-84.58
O=C([O-])COC1=CC=C(NCC2=CC(Cl)=CC(F)=C2[O-])C=C1	REAL300018329038	1	33	-2.0	-90.30	313.96	6.45	-83.85
COCC1=CC(NCC2=CC=CC(Cl)=C2[O-])=CC(C(=O)[O-])=C1	REAL300018337125	1	36	-2.0	-104.79	331.00	5.86	-98.93
COCC1=CC(NCC2=CC(Cl)=CC(F)=C2[O-])=CC(C(=O)[O-])=C1	REAL300018337126	1	36	-2.0	-103.23	338.03	5.87	-97.36
COCC1=CC(NCC2=CC=CC(Cl)=C2[O-])=CC(C(=O)[O-])=C1	REAL300018348074	1	36	-2.0	-104.79	331.00	5.86	-98.93
COCC1=CC(NCC2=CC(Cl)=CC(F)=C2[O-])=CC(C(=O)[O-])=C1	REAL300018348075	1	36	-2.0	-103.23	338.03	5.87	-97.36
CSC1=CC=C(NCC2=CC=CC(Cl)=C2[O-])C=C1C(=O)[O-]	REAL300018402027	1	33	-2.0	-101.81	311.60	7.02	-94.79
CSC1=CC=C(NCC2=CC(Cl)=CC(F)=C2[O-])C=C1C(=O)[O-]	REAL300018402028	1	33	-2.0	-101.37	318.62	7.03	-94.34
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=CC(Cl)=C2[O-])=C1	REAL300018408353	1	34	-2.0	-110.19	315.84	6.72	-103.47
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC(Cl)=CC(F)=C2[O-])=C1	REAL300018408354	1	34	-2.0	-108.29	322.66	6.75	-101.54
O=C([O-])C1=CC2=CC(NCC3=CC=CC(Cl)=C3[O-])=CC=C2S1	REAL300018435224	1	32	-2.0	-92.58	314.04	7.66	-84.92
O=C([O-])C1=CC2=CC(NCC3=CC(Cl)=CC(F)=C3[O-])=CC=C2S1	REAL300018435225	1	32	-2.0	-92.22	321.07	7.67	-84.55
O=C([O-])C1=CC(NCC2=CC=CC(Cl)=C2[O-])=CC2=C1OC1=CC=CC=C1O2	REAL300018465376	1	39	-2.0	-112.42	356.35	8.95	-103.47
O=C([O-])C1(C2=CC=CC(NCC3=CC=CC(Cl)=C3[O-])=C2)CCC1	REAL300018654025	1	39	-2.0	-95.47	339.62	8.54	-86.93
O=C([O-])C1(C2=CC=CC(NCC3=CC(Cl)=CC(F)=C3[O-])=C2)CCC1	REAL300018654026	1	39	-2.0	-100.74	346.65	8.55	-92.19
O=C([O-])C1(C2=CC=C(NCC3=CC=CC(Cl)=C3[O-])C=C2)CC1	REAL300018706062	1	36	-2.0	-98.70	322.13	8.04	-90.66
O=C([O-])C1(C2=CC=C(NCC3=CC(Cl)=CC(F)=C3[O-])C=C2)CC1	REAL300018706063	1	36	-2.0	-94.80	328.96	8.07	-86.73
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300018723001	0	35	-2.0	-133.79	331.89	4.77	-129.02
O=C([O-])C(C(=O)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C1CCCC1	REAL300018723002	0	38	-2.0	-132.75	343.85	5.48	-127.27
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1	REAL300018723003	0	35	-2.0	-124.09	345.77	5.87	-118.22
O=C([O-])CN1C=C(C(=O)[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])N=N1	REAL300018723004	0	31	-2.0	-116.88	323.76	1.76	-115.12
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300018723005	0	41	-2.0	-143.67	359.90	5.48	-138.19
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCCO1	REAL300018723006	0	33	-2.0	-144.15	321.70	3.03	-141.12
CN1N=C(C(=O)[O-])C=C1C(=O)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300018723007	0	32	-2.0	-117.30	324.79	3.29	-114.01
O=C([O-])CCC1CC(C(=O)[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CO1	REAL300018723008	0	39	-2.0	-109.14	363.56	3.82	-105.32
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300018723009	0	32	-2.0	-135.21	311.25	4.53	-130.68
O=C([O-])C=CC1=CC(C(=O)[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=CO1	REAL300018723010	0	33	-2.0	-111.49	341.20	4.61	-106.88
O=C([O-])[C@@H]1CC[C@H]1C(=O)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300018723011	0	32	-2.0	-133.16	313.89	4.11	-129.05
O=C([O-])C1=CC=C(C=CC(=O)[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])O1	REAL300018723012	0	33	-2.0	-115.00	342.69	4.94	-110.06
O=C([O-])CN1C=CC=C(C(=O)[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1=O	REAL300018723013	0	35	-2.0	-139.21	348.83	4.96	-134.25
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCCC1	REAL300018723014	0	35	-2.0	-138.88	324.28	4.90	-133.98
O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300018723015	0	38	-2.0	-122.75	348.72	5.34	-117.41
O=C([O-])C1=CC=CC(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)=C1	REAL300018723016	0	29	-2.0	-108.52	303.04	2.46	-106.06
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)C=C1	REAL300018723017	0	29	-2.0	-94.98	303.02	2.47	-92.51
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1	REAL300018723018	0	28	-2.0	-116.78	282.67	1.55	-115.23
CC(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1	REAL300018723019	0	31	-2.0	-114.27	301.82	1.38	-112.89
O=C([O-])CCCC(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1	REAL300018723020	0	28	-2.0	-104.18	287.59	0.98	-103.20
O=C([O-])COCC(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1	REAL300018723021	0	26	-2.0	-107.99	279.72	0.26	-107.73
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)N=C1	REAL300018723022	0	28	-2.0	-93.96	299.08	0.54	-93.42
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)C=N1	REAL300018723023	0	28	-2.0	-94.96	298.90	0.69	-94.27
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)C1	REAL300018723024	0	32	-2.0	-107.86	308.58	1.96	-105.90
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1	REAL300018723025	0	34	-2.0	-118.17	316.65	1.65	-116.52
O=C([O-])CCCCC(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1	REAL300018723026	0	31	-2.0	-96.23	309.09	1.76	-94.47
O=C([O-])COC1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)C=C1	REAL300018723027	0	33	-2.0	-93.40	334.05	2.76	-90.64
O=C([O-])COC1=CC=CC(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)=C1	REAL300018723028	0	33	-2.0	-103.31	334.12	2.75	-100.56
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)CCC1	REAL300018723029	0	29	-2.0	-112.92	288.40	1.28	-111.64
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)CC=CC1	REAL300018723030	0	30	-2.0	-115.32	297.93	1.81	-113.51
CC(C)(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1	REAL300018723031	0	34	-2.0	-114.62	312.00	1.74	-112.88
O=C([O-])C(C(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1)C1CC1	REAL300018723032	0	29	-2.0	-115.28	295.86	1.60	-113.68
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)CC2CCC1C2	REAL300018723033	0	36	-2.0	-123.86	326.07	2.68	-121.18
O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)CC1	REAL300018723034	0	35	-2.0	-115.77	320.07	2.41	-113.36
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1	REAL300018723035	0	32	-2.0	-113.24	305.01	2.14	-111.10
O=C([O-])C(C(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1)C1CCCC1	REAL300018723036	0	35	-2.0	-115.04	322.37	2.71	-112.33
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)=C1	REAL300018723037	0	32	-2.0	-104.99	324.44	3.12	-101.87
O=C([O-])CN1C=C(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)N=N1	REAL300018723038	0	28	-2.0	-99.98	302.48	-1.00	-100.98
O=C([O-])COCC1=C(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)N=CO1	REAL300018723039	0	32	-2.0	-114.63	333.52	-2.20	-116.83
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1	REAL300018723040	0	38	-2.0	-115.69	340.08	2.62	-113.07
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)CCCO1	REAL300018723041	0	30	-2.0	-120.06	300.32	0.28	-119.78
CN1N=C(C(=O)[O-])C=C1C(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1	REAL300018723042	0	29	-2.0	-101.71	303.98	0.55	-101.16
O=C([O-])CCC1CC(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)CO1	REAL300018723043	0	36	-2.0	-94.56	342.24	1.07	-93.49
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1	REAL300018723044	0	29	-2.0	-113.28	292.45	1.48	-111.80
O=C([O-])C=CC1=CC(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)=CO1	REAL300018723045	0	30	-2.0	-96.42	319.85	1.86	-94.56
O=C([O-])[C@@H]1CC[C@H]1C(=O)[N-]S(=O)(=O)C1=CC=NC(Cl)=C1	REAL300018723046	0	29	-2.0	-112.14	292.54	1.37	-110.77
O=C([O-])C1=CC=C(C=CC(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)O1	REAL300018723047	0	30	-2.0	-97.91	321.41	2.19	-95.72
O=C([O-])CN1C=CC=C(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)C1=O	REAL300018723048	0	32	-2.0	-117.05	327.47	2.20	-114.85
CC(C)(C(=O)[O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)C=C1	REAL300018723049	0	38	-2.0	-99.72	356.11	4.10	-95.62
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)CCCC1	REAL300018723050	0	32	-2.0	-115.40	305.78	1.89	-113.51
O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C2=CC=NC(Cl)=C2)C1	REAL300018723051	0	35	-2.0	-106.90	327.39	2.58	-104.32
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018723052	0	32	-2.0	-116.97	322.53	4.32	-112.65
CC(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018723053	0	35	-2.0	-114.31	341.68	4.14	-110.17
O=C([O-])CCCC(=O)[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018723054	0	32	-2.0	-104.27	327.45	3.75	-100.52
O=C([O-])COCC(=O)[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018723055	0	30	-2.0	-108.14	319.58	3.02	-105.12
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300018723056	0	36	-2.0	-108.36	348.43	4.72	-103.64
O=C([O-])CCCCC(=O)[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018723057	0	35	-2.0	-96.07	348.95	4.53	-91.54
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)CCC1	REAL300018723058	0	33	-2.0	-112.86	328.24	4.05	-108.81
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)CC=CC1	REAL300018723059	0	34	-2.0	-115.26	337.79	4.57	-110.69
O=C([O-])C(C(=O)[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C1CC1	REAL300018723060	0	33	-2.0	-117.41	335.71	4.35	-113.06
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018723061	0	36	-2.0	-113.40	344.86	4.90	-108.50
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018723062	0	33	-2.0	-113.43	332.30	4.25	-109.18
O=C([O-])[C@@H]1CC[C@H]1C(=O)[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018723063	0	33	-2.0	-113.58	332.39	4.13	-109.45
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)CCCC1	REAL300018723064	0	36	-2.0	-118.31	345.64	4.67	-113.64
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300018723065	0	35	-2.0	-117.09	339.10	1.03	-116.06
CC(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300018723066	0	38	-2.0	-115.41	358.38	0.81	-114.60
O=C([O-])CCCC(=O)[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300018723067	0	35	-2.0	-104.62	344.15	0.41	-104.21
O=C([O-])COCC(=O)[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300018723068	0	33	-2.0	-108.40	336.28	-0.31	-108.71
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300018723069	0	39	-2.0	-106.53	365.80	1.37	-105.16
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300018723070	0	41	-2.0	-113.00	370.14	1.34	-111.66
O=C([O-])CCCCC(=O)[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300018723071	0	38	-2.0	-96.45	365.65	1.19	-95.26
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCC1	REAL300018723072	0	36	-2.0	-114.24	344.94	0.72	-113.52
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CC=CC1	REAL300018723073	0	37	-2.0	-116.85	354.49	1.24	-115.61
CC(C)(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300018723074	0	41	-2.0	-110.49	364.41	1.31	-109.18
O=C([O-])C(C(=O)[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C1CC1	REAL300018723075	0	36	-2.0	-114.61	348.66	1.01	-113.60
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300018723076	0	39	-2.0	-112.96	361.56	1.57	-111.39
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCCO1	REAL300018723077	0	37	-2.0	-119.72	356.87	-0.29	-120.01
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300018723078	0	36	-2.0	-111.82	346.32	1.04	-110.78
O=C([O-])[C@@H]1CC[C@H]1C(=O)[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300018723079	0	36	-2.0	-112.99	349.14	0.80	-112.19
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCCC1	REAL300018723080	0	39	-2.0	-116.96	362.35	1.34	-115.62
O=C([O-])C1=CC=CC(C(=O)[N-]S(=O)(=O)C2=CC3=C(C=C2Cl)OCCO3)=C1	REAL300018723081	0	36	-2.0	-117.79	348.58	3.55	-114.24
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC3=C(C=C2Cl)OCCO3)C=C1	REAL300018723082	0	36	-2.0	-103.68	348.57	3.57	-100.11
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)OCCO2	REAL300018723083	0	35	-2.0	-126.78	328.20	2.66	-124.12
CC(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)OCCO2	REAL300018723084	0	38	-2.0	-126.24	347.35	2.48	-123.76
O=C([O-])CCCC(=O)[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)OCCO2	REAL300018723085	0	35	-2.0	-113.40	333.13	2.07	-111.33
O=C([O-])COCC(=O)[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)OCCO2	REAL300018723086	0	33	-2.0	-117.32	325.26	1.35	-115.97
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC3=C(C=C2Cl)OCCO3)N=C1	REAL300018723087	0	35	-2.0	-102.90	344.61	1.64	-101.26
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2=CC3=C(C=C2Cl)OCCO3)C=N1	REAL300018723088	0	35	-2.0	-103.41	344.44	1.77	-101.64
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2=CC3=C(C=C2Cl)OCCO3)C1	REAL300018723089	0	39	-2.0	-116.16	353.72	3.05	-113.11
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)OCCO2	REAL300018723090	0	41	-2.0	-127.91	362.19	2.76	-125.15
O=C([O-])CCCCC(=O)[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)OCCO2	REAL300018723091	0	38	-2.0	-104.81	354.63	2.85	-101.96
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC3=C(C=C2Cl)OCCO3)CCC1	REAL300018723092	0	36	-2.0	-123.00	333.92	2.38	-120.62
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC3=C(C=C2Cl)OCCO3)CC=CC1	REAL300018723093	0	37	-2.0	-125.50	343.47	2.90	-122.60
CC(C)(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)OCCO2	REAL300018723094	0	41	-2.0	-124.60	357.53	2.83	-121.77
O=C([O-])C(C(=O)[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)OCCO2)C1CC1	REAL300018723095	0	36	-2.0	-126.88	341.37	2.69	-124.19
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)OCCO2	REAL300018723096	0	39	-2.0	-125.67	356.07	3.11	-122.56
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC3=C(C=C2Cl)OCCO3)CCCO1	REAL300018723097	0	37	-2.0	-129.78	345.86	1.36	-128.42
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)OCCO2	REAL300018723098	0	36	-2.0	-123.07	338.50	2.57	-120.50
O=C([O-])[C@@H]1CC[C@H]1C(=O)[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)OCCO2	REAL300018723099	0	36	-2.0	-122.66	338.10	2.46	-120.20
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2=CC3=C(C=C2Cl)OCCO3)CCCC1	REAL300018723100	0	39	-2.0	-125.66	351.32	3.00	-122.66
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=CC(C(=O)[O-])=C2)CCCC1	REAL300018723101	0	37	-2.0	-124.32	332.64	4.81	-119.51
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2)CCCC1	REAL300018723102	0	37	-2.0	-107.17	332.63	4.81	-102.36
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	REAL300018723103	0	36	-2.0	-132.42	312.83	3.73	-128.69
CC(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	REAL300018723104	0	39	-2.0	-125.44	332.10	3.67	-121.77
N#CC1(CS(=O)(=O)[N-]C(=O)CCCC(=O)[O-])CCCC1	REAL300018723105	0	36	-2.0	-118.26	317.89	3.31	-114.95
N#CC1(CS(=O)(=O)[N-]C(=O)COCC(=O)[O-])CCCC1	REAL300018723106	0	34	-2.0	-122.69	310.02	2.46	-120.23
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=N2)CCCC1	REAL300018723107	0	36	-2.0	-104.88	328.67	2.89	-101.99
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])N=C2)CCCC1	REAL300018723108	0	36	-2.0	-106.33	328.50	3.02	-103.31
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1	REAL300018723109	0	40	-2.0	-119.62	338.10	4.26	-115.36
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	REAL300018723110	0	42	-2.0	-127.21	346.95	3.99	-123.22
N#CC1(CS(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])CCCC1	REAL300018723111	0	39	-2.0	-108.38	339.39	4.09	-104.29
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCCC1	REAL300018723112	0	41	-2.0	-105.29	363.64	5.10	-100.19
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CCCC1	REAL300018723113	0	41	-2.0	-118.02	363.71	5.09	-112.93
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)CCCC1	REAL300018723114	0	37	-2.0	-126.25	318.00	3.62	-122.63
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)CCCC1	REAL300018723115	0	38	-2.0	-129.17	327.53	4.14	-125.03
CC(C)(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	REAL300018723116	0	42	-2.0	-120.13	338.15	4.12	-116.01
N#CC1(CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CC2)CCCC1	REAL300018723117	0	37	-2.0	-124.86	321.69	3.91	-120.95
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)CCCC1	REAL300018723118	0	44	-2.0	-133.05	355.62	5.01	-128.04
N#CC1(CS(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)CCCC1	REAL300018723119	0	43	-2.0	-107.31	357.50	4.94	-102.37
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	REAL300018723120	0	40	-2.0	-121.80	334.62	4.42	-117.38
N#CC1(CS(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CCCC2)CCCC1	REAL300018723121	0	43	-2.0	-129.60	357.07	4.96	-124.64
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)=C1	REAL300018723122	0	40	-2.0	-114.25	354.06	5.46	-108.79
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CN(CC(=O)[O-])N=N2)CCCC1	REAL300018723123	0	36	-2.0	-110.37	332.08	1.38	-108.99
N#CC1(CS(=O)(=O)[N-]C(=O)C2=C(COCC(=O)[O-])OC=N2)CCCC1	REAL300018723124	0	40	-2.0	-127.85	363.15	0.11	-127.74
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	REAL300018723125	0	46	-2.0	-128.85	370.37	4.91	-123.94
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCO2)CCCC1	REAL300018723126	0	38	-2.0	-132.83	329.93	2.63	-130.20
CN1N=C(C(=O)[O-])C=C1C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	REAL300018723127	0	37	-2.0	-116.63	334.25	2.90	-113.73
N#CC1(CS(=O)(=O)[N-]C(=O)C2COC(CCC(=O)[O-])C2)CCCC1	REAL300018723128	0	44	-2.0	-106.26	371.83	3.42	-102.84
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1	REAL300018723129	0	37	-2.0	-123.43	322.62	3.84	-119.59
N#CC1(CS(=O)(=O)[N-]C(=O)C2=COC(C=CC(=O)[O-])=C2)CCCC1	REAL300018723130	0	38	-2.0	-109.25	349.44	4.23	-105.02
N#CC1(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCCC1	REAL300018723131	0	37	-2.0	-127.68	322.12	3.70	-123.98
N#CC1(CS(=O)(=O)[N-]C(=O)C=CC2=CC=C(C(=O)[O-])O2)CCCC1	REAL300018723132	0	38	-2.0	-108.17	351.01	4.52	-103.65
N#CC1(CS(=O)(=O)[N-]C(=O)C2=CC=CN(CC(=O)[O-])C2=O)CCCC1	REAL300018723133	0	40	-2.0	-126.01	357.07	4.54	-121.47
CC(C)(C(=O)[O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)C=C1	REAL300018723134	0	46	-2.0	-113.03	385.72	6.44	-106.59
N#CC1(CS(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCC2)CCCC1	REAL300018723135	0	40	-2.0	-129.55	335.38	4.24	-125.31
N#CC1(CS(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CCCC1	REAL300018723136	0	43	-2.0	-121.40	357.04	4.91	-116.49
O=C([O-])C1=CC=CC(C(=O)[N-]S(=O)(=O)C2CCCOC2)=C1	REAL300018723137	0	34	-2.0	-115.85	307.06	2.32	-113.53
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2CCCOC2)C=C1	REAL300018723138	0	34	-2.0	-100.78	307.06	2.33	-98.45
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2CCCOC2)N=C1	REAL300018723139	0	33	-2.0	-99.48	303.09	0.40	-99.08
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2CCCOC2)C=N1	REAL300018723140	0	33	-2.0	-100.47	302.92	0.54	-99.93
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2CCCOC2)C1	REAL300018723141	0	37	-2.0	-112.82	313.26	1.79	-111.03
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCOC1	REAL300018723142	0	39	-2.0	-121.51	316.49	1.51	-120.00
O=C([O-])COC1=CC=C(C(=O)[N-]S(=O)(=O)C2CCCOC2)C=C1	REAL300018723143	0	38	-2.0	-98.80	337.93	2.66	-96.14
O=C([O-])COC1=CC=CC(C(=O)[N-]S(=O)(=O)C2CCCOC2)=C1	REAL300018723144	0	38	-2.0	-109.86	338.13	2.61	-107.25
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2CCCOC2)CC=CC1	REAL300018723145	0	35	-2.0	-123.18	301.96	1.65	-121.53
CC(C)(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCOC1	REAL300018723146	0	39	-2.0	-120.39	316.02	1.51	-118.88
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2CCCOC2)CC2CCC1C2	REAL300018723147	0	41	-2.0	-129.33	330.18	2.43	-126.90
O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)C2CCCOC2)CC1	REAL300018723148	0	40	-2.0	-121.30	323.95	2.26	-119.04
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCOC1	REAL300018723149	0	37	-2.0	-119.01	308.90	1.98	-117.03
O=C([O-])C(C(=O)[N-]S(=O)(=O)C1CCCOC1)C1CCCC1	REAL300018723150	0	40	-2.0	-123.89	326.40	2.49	-121.40
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)C2CCCOC2)=C1	REAL300018723151	0	37	-2.0	-110.69	328.45	2.98	-107.71
O=C([O-])CN1C=C(C(=O)[N-]S(=O)(=O)C2CCCOC2)N=N1	REAL300018723152	0	33	-2.0	-105.68	306.51	-1.12	-106.80
O=C([O-])COCC1=C(C(=O)[N-]S(=O)(=O)C2CCCOC2)N=CO1	REAL300018723153	0	37	-2.0	-121.32	337.56	-2.38	-123.70
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1CCCOC1	REAL300018723154	0	43	-2.0	-125.98	343.36	2.80	-123.18
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2CCCOC2)CCCO1	REAL300018723155	0	35	-2.0	-127.27	303.80	0.17	-127.10
CN1N=C(C(=O)[O-])C=C1C(=O)[N-]S(=O)(=O)C1CCCOC1	REAL300018723156	0	34	-2.0	-108.25	307.51	0.41	-107.84
O=C([O-])CCC1CC(C(=O)[N-]S(=O)(=O)C2CCCOC2)CO1	REAL300018723157	0	41	-2.0	-99.66	346.12	0.96	-98.70
O=C([O-])C=CC1=CC(C(=O)[N-]S(=O)(=O)C2CCCOC2)=CO1	REAL300018723158	0	35	-2.0	-102.14	323.86	1.72	-100.42
O=C(C=CC1=CC=C(C(=O)[O-])O1)[N-]S(=O)(=O)C1CCCOC1	REAL300018723159	0	35	-2.0	-103.05	325.43	2.03	-101.02
O=C([O-])CN1C=CC=C(C(=O)[N-]S(=O)(=O)C2CCCOC2)C1=O	REAL300018723160	0	37	-2.0	-123.51	331.49	2.06	-121.45
CC(C)(C(=O)[O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2CCCOC2)C=C1	REAL300018723161	0	43	-2.0	-106.88	361.76	4.04	-102.84
O=C([O-])C1(C(=O)[N-]S(=O)(=O)C2CCCOC2)CCCC1	REAL300018723162	0	37	-2.0	-123.24	309.81	1.74	-121.50
O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)C2CCCOC2)C1	REAL300018723163	0	40	-2.0	-113.45	331.41	2.43	-111.02
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)C2CCCOC2)C(Br)=C1	REAL300018723164	0	34	-2.0	-97.76	323.27	2.88	-94.88
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018723165	0	40	-2.0	-117.41	362.09	3.63	-113.78
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300018723166	0	40	-2.0	-103.74	362.55	3.64	-100.10
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])C=C1	REAL300018723167	0	39	-2.0	-127.31	339.88	2.57	-124.74
CC(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300018723168	0	42	-2.0	-124.45	354.79	2.56	-121.89
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])C=C1	REAL300018723169	0	39	-2.0	-112.69	346.33	2.16	-110.53
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])C=C1	REAL300018723170	0	37	-2.0	-116.72	338.69	1.44	-115.28
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300018723171	0	39	-2.0	-102.88	357.67	1.72	-101.16
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300018723172	0	39	-2.0	-103.60	358.41	1.86	-101.74
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300018723173	0	43	-2.0	-115.26	367.70	3.12	-112.14
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300018723174	0	45	-2.0	-127.00	371.42	2.85	-124.15
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])C=C1	REAL300018723175	0	42	-2.0	-104.62	368.06	2.95	-101.67
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)C=C1	REAL300018723176	0	40	-2.0	-126.64	346.27	2.46	-124.18
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)C=C1	REAL300018723177	0	41	-2.0	-125.60	356.97	2.98	-122.62
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C)C=C1	REAL300018723178	0	45	-2.0	-124.63	369.79	3.01	-121.62
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CC2)C=C1	REAL300018723179	0	40	-2.0	-125.35	354.81	2.78	-122.57
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)C=C1	REAL300018723180	0	47	-2.0	-134.34	386.39	3.88	-130.46
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)C=C1	REAL300018723181	0	46	-2.0	-125.25	378.80	3.59	-121.66
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2(C)C)C=C1	REAL300018723182	0	43	-2.0	-122.48	363.97	3.33	-119.15
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CCCC2)C=C1	REAL300018723183	0	46	-2.0	-126.27	381.37	3.69	-122.58
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)C2=CC=C(C(=O)N(C)C)C=C2)=C1	REAL300018723184	0	43	-2.0	-114.49	383.04	4.32	-110.17
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2=CN(CC(=O)[O-])N=N2)C=C1	REAL300018723185	0	39	-2.0	-109.36	361.09	0.20	-109.16
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C=C1	REAL300018723186	0	49	-2.0	-129.84	399.52	3.87	-125.97
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCO2)C=C1	REAL300018723187	0	41	-2.0	-130.63	359.29	1.46	-129.17
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC(C(=O)[O-])=NN2C)C=C1	REAL300018723188	0	40	-2.0	-110.06	361.79	1.71	-108.35
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2COC(CCC(=O)[O-])C2)C=C1	REAL300018723189	0	47	-2.0	-102.61	401.20	2.26	-100.35
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C)C=C1	REAL300018723190	0	40	-2.0	-122.44	351.41	2.67	-119.77
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2=COC(C=CC(=O)[O-])=C2)C=C1	REAL300018723191	0	41	-2.0	-105.62	377.05	2.87	-102.75
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300018723192	0	40	-2.0	-121.01	350.78	2.54	-118.47
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C=CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018723193	0	41	-2.0	-106.66	380.01	3.36	-103.30
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCC2)C=C1	REAL300018723194	0	43	-2.0	-127.45	363.05	3.14	-124.31
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300018723195	0	46	-2.0	-115.90	387.65	3.80	-112.10
COC1=CC(Br)=C(F)C=C1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-]	REAL300018723196	0	33	-2.0	-123.94	325.83	3.38	-120.56
COC1=CC(Br)=C(F)C=C1S(=O)(=O)[N-]C(=O)CCCC(=O)[O-]	REAL300018723197	0	33	-2.0	-110.63	330.77	2.81	-107.82
O=C([O-])C1=CC=CC(C(=O)[N-]S(=O)(=O)CC2CCCO2)=C1	REAL300018723198	0	34	-2.0	-123.66	310.01	2.64	-121.02
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2CCCO2)C=C1	REAL300018723199	0	34	-2.0	-107.30	310.00	2.65	-104.65
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2CCCO2)N=C1	REAL300018723200	0	33	-2.0	-105.58	306.04	0.72	-104.86
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2CCCO2)C=N1	REAL300018723201	0	33	-2.0	-106.58	305.87	0.86	-105.72
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC2CCCO2)C1	REAL300018723202	0	37	-2.0	-120.84	315.14	2.10	-118.74
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCO1	REAL300018723203	0	39	-2.0	-129.76	323.62	1.83	-127.93
O=C([O-])COC1=CC=C(C(=O)[N-]S(=O)(=O)CC2CCCO2)C=C1	REAL300018723204	0	38	-2.0	-105.50	341.02	2.92	-102.58
O=C([O-])COC1=CC=CC(C(=O)[N-]S(=O)(=O)CC2CCCO2)=C1	REAL300018723205	0	38	-2.0	-117.50	341.09	2.91	-114.59
O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2CCCO2)CC=CC1	REAL300018723206	0	35	-2.0	-129.56	306.80	1.76	-127.80
CC(C)(C)C(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCO1	REAL300018723207	0	39	-2.0	-126.03	318.97	1.83	-124.20
O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2CCCO2)CC2CCC1C2	REAL300018723208	0	41	-2.0	-135.64	331.27	2.73	-132.91
O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)CC2CCCO2)CC1	REAL300018723209	0	40	-2.0	-107.76	334.91	2.76	-105.00
CC1(C)CC1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCO1	REAL300018723210	0	37	-2.0	-127.70	317.50	2.13	-125.57
O=C([O-])C(C(=O)[N-]S(=O)(=O)CC1CCCO1)C1CCCC1	REAL300018723211	0	40	-2.0	-129.23	331.02	2.77	-126.46
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)CC2CCCO2)=C1	REAL300018723212	0	37	-2.0	-116.07	331.41	3.30	-112.77
O=C([O-])CN1C=C(C(=O)[N-]S(=O)(=O)CC2CCCO2)N=N1	REAL300018723213	0	33	-2.0	-111.82	309.46	-0.80	-112.62
O=C([O-])COCC1=C(C(=O)[N-]S(=O)(=O)CC2CCCO2)N=CO1	REAL300018723214	0	37	-2.0	-129.54	340.53	-2.06	-131.60
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)[N-]S(=O)(=O)CC1CCCO1	REAL300018723215	0	43	-2.0	-129.88	347.04	2.73	-127.15
O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2CCCO2)CCCO1	REAL300018723216	0	35	-2.0	-134.41	306.77	0.48	-133.93
CN1N=C(C(=O)[O-])C=C1C(=O)[N-]S(=O)(=O)CC1CCCO1	REAL300018723217	0	34	-2.0	-115.52	310.94	0.74	-114.78
O=C([O-])CCC1CC(C(=O)[N-]S(=O)(=O)CC2CCCO2)CO1	REAL300018723218	0	41	-2.0	-106.42	349.21	1.23	-105.19
O=C([O-])C=CC1=CC(C(=O)[N-]S(=O)(=O)CC2CCCO2)=CO1	REAL300018723219	0	35	-2.0	-108.94	326.82	2.05	-106.89
O=C(C=CC1=CC=C(C(=O)[O-])O1)[N-]S(=O)(=O)CC1CCCO1	REAL300018723220	0	35	-2.0	-109.04	328.38	2.35	-106.69
O=C([O-])CN1C=CC=C(C(=O)[N-]S(=O)(=O)CC2CCCO2)C1=O	REAL300018723221	0	37	-2.0	-129.56	334.45	2.38	-127.18
CC(C)(C(=O)[O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2CCCO2)C=C1	REAL300018723222	0	43	-2.0	-113.62	363.10	4.26	-109.36
O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC2CCCO2)CCCC1	REAL300018723223	0	37	-2.0	-130.57	313.30	1.94	-128.63
O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CC2CCCO2)C1	REAL300018723224	0	40	-2.0	-121.05	335.21	2.60	-118.45
O=C([O-])C1=CC=C(C(=O)[N-]S(=O)(=O)CC2CCCO2)C(Br)=C1	REAL300018723225	0	34	-2.0	-104.16	326.23	3.21	-100.95
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300018723226	0	36	-2.0	-110.94	340.02	1.43	-109.51
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300018723227	0	36	-2.0	-97.32	340.01	1.44	-95.88
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])C=N1	REAL300018723228	0	35	-2.0	-119.25	319.52	0.56	-118.69
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)C)C=N1	REAL300018723229	0	38	-2.0	-118.15	338.80	0.34	-117.81
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])C=N1	REAL300018723230	0	35	-2.0	-106.68	324.58	-0.05	-106.73
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])C=N1	REAL300018723231	0	33	-2.0	-110.46	316.70	-0.78	-111.24
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=N2)C=N1	REAL300018723232	0	35	-2.0	-96.49	336.04	-0.49	-96.98
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])N=C2)C=N1	REAL300018723233	0	35	-2.0	-97.27	335.88	-0.35	-97.62
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=N1	REAL300018723234	0	39	-2.0	-108.73	346.21	0.90	-107.83
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-])C=N1	REAL300018723235	0	41	-2.0	-119.87	353.63	0.62	-119.25
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])C=N1	REAL300018723236	0	38	-2.0	-98.46	346.07	0.73	-97.73
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300018723237	0	40	-2.0	-95.52	371.03	1.73	-93.79
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300018723238	0	40	-2.0	-105.44	371.09	1.71	-103.73
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)C=N1	REAL300018723239	0	36	-2.0	-117.67	325.37	0.26	-117.41
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)C=N1	REAL300018723240	0	37	-2.0	-120.22	334.92	0.78	-119.44
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C)C=N1	REAL300018723241	0	41	-2.0	-113.39	344.84	0.84	-112.55
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CC2)C=N1	REAL300018723242	0	36	-2.0	-118.53	329.10	0.54	-117.99
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)C=N1	REAL300018723243	0	43	-2.0	-126.59	363.01	1.65	-124.94
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)C=N1	REAL300018723244	0	42	-2.0	-117.82	357.04	1.38	-116.44
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2(C)C)C=N1	REAL300018723245	0	39	-2.0	-116.46	341.99	1.11	-115.35
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CCCC2)C=N1	REAL300018723246	0	42	-2.0	-119.55	359.49	1.59	-117.96
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC(C)=CC(C(=O)[O-])=C2)C=N1	REAL300018723247	0	39	-2.0	-107.81	361.41	2.08	-105.73
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CN(CC(=O)[O-])N=N2)C=N1	REAL300018723248	0	35	-2.0	-102.62	339.46	-2.03	-104.65
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=C(COCC(=O)[O-])OC=N2)C=N1	REAL300018723249	0	39	-2.0	-117.43	370.51	-3.24	-120.67
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C=N1	REAL300018723250	0	45	-2.0	-120.34	377.07	1.59	-118.75
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCO2)C=N1	REAL300018723251	0	37	-2.0	-122.88	337.30	-0.75	-123.63
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC(C(=O)[O-])=NN2C)C=N1	REAL300018723252	0	36	-2.0	-103.83	340.95	-0.48	-104.31
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2COC(CCC(=O)[O-])C2)C=N1	REAL300018723253	0	43	-2.0	-96.49	379.22	0.04	-96.45
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])C[C@H]2C)C=N1	REAL300018723254	0	36	-2.0	-114.93	326.75	0.58	-114.35
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=COC(C=CC(=O)[O-])=C2)C=N1	REAL300018723255	0	37	-2.0	-98.33	356.82	0.81	-97.52
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C=N1	REAL300018723256	0	36	-2.0	-115.13	329.57	0.33	-114.80
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C=CC2=CC=C(C(=O)[O-])O2)C=N1	REAL300018723257	0	37	-2.0	-100.28	358.39	1.15	-99.13
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=CN(CC(=O)[O-])C2=O)C=N1	REAL300018723258	0	39	-2.0	-120.35	364.45	1.16	-119.19
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300018723259	0	45	-2.0	-102.14	393.10	3.06	-99.08
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCC2)C=N1	REAL300018723260	0	39	-2.0	-120.42	342.78	0.87	-119.55
CCOC1=CC=C(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300018723261	0	42	-2.0	-110.12	364.89	1.57	-108.55
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018723262	0	39	-2.0	-125.18	355.70	5.07	-120.11
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300018723263	0	39	-2.0	-110.41	355.52	5.09	-105.32
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])=C1	REAL300018723264	0	38	-2.0	-134.66	335.20	4.21	-130.45
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)C)=C1	REAL300018723265	0	41	-2.0	-135.14	354.47	3.70	-131.44
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])=C1	REAL300018723266	0	38	-2.0	-120.45	340.24	3.31	-117.14
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])=C1	REAL300018723267	0	36	-2.0	-124.80	332.38	2.87	-121.93
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])C=N2)=C1	REAL300018723268	0	38	-2.0	-109.40	351.56	2.88	-106.52
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2=CC=C(C(=O)[O-])N=C2)=C1	REAL300018723269	0	38	-2.0	-110.04	351.39	3.31	-106.73
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300018723270	0	42	-2.0	-124.85	361.07	4.30	-120.55
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300018723271	0	44	-2.0	-135.56	366.24	4.52	-131.04
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])=C1	REAL300018723272	0	41	-2.0	-112.42	361.75	4.37	-108.05
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018723273	0	43	-2.0	-108.63	386.54	5.38	-103.25
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300018723274	0	43	-2.0	-118.96	386.60	5.08	-113.88
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)=C1	REAL300018723275	0	39	-2.0	-134.79	340.90	3.90	-130.89
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)=C1	REAL300018723276	0	40	-2.0	-138.54	350.62	4.14	-134.40
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C(C)(C)C)=C1	REAL300018723277	0	44	-2.0	-131.24	364.48	4.36	-126.88
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CC2)=C1	REAL300018723278	0	39	-2.0	-134.02	345.89	4.07	-129.95
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC3CCC2C3)=C1	REAL300018723279	0	46	-2.0	-139.76	378.47	5.01	-134.75
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2CCC(C(=O)[O-])CC2)=C1	REAL300018723280	0	45	-2.0	-110.78	380.39	4.95	-105.83
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2(C)C)=C1	REAL300018723281	0	42	-2.0	-132.35	362.98	4.34	-128.01
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C(C(=O)[O-])C2CCCC2)=C1	REAL300018723282	0	45	-2.0	-137.36	374.87	5.32	-132.04
CC1=CC(C(=O)[O-])=CC(C(=O)[N-]S(=O)(=O)C2=CN(CC(C)C)C=N2)=C1	REAL300018723283	0	42	-2.0	-124.09	377.09	5.73	-118.36
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2=CN(CC(=O)[O-])N=N2)=C1	REAL300018723284	0	38	-2.0	-115.94	354.98	1.63	-114.31
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2=C(COCC(=O)[O-])OC=N2)=C1	REAL300018723285	0	42	-2.0	-131.45	386.04	0.13	-131.32
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)=C1	REAL300018723286	0	48	-2.0	-134.11	392.57	5.25	-128.86
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCO2)=C1	REAL300018723287	0	40	-2.0	-135.66	352.80	2.61	-133.05
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2=CC(C(=O)[O-])=NN2C)=C1	REAL300018723288	0	39	-2.0	-116.29	356.49	2.89	-113.40
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2COC(CCC(=O)[O-])C2)=C1	REAL300018723289	0	46	-2.0	-109.35	394.73	3.40	-105.95
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])C[C@H]2C)=C1	REAL300018723290	0	39	-2.0	-132.13	342.27	4.23	-127.90
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2=COC(C=CC(=O)[O-])=C2)=C1	REAL300018723291	0	40	-2.0	-111.26	372.33	4.48	-106.78
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]2C(=O)[O-])=C1	REAL300018723292	0	39	-2.0	-131.56	345.07	3.99	-127.57
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C=CC2=CC=C(C(=O)[O-])O2)=C1	REAL300018723293	0	40	-2.0	-113.51	373.91	4.81	-108.70
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2=CC=CN(CC(=O)[O-])C2=O)=C1	REAL300018723294	0	42	-2.0	-136.55	379.96	4.82	-131.73
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300018723295	0	48	-2.0	-115.63	408.62	6.72	-108.91
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCCC2)=C1	REAL300018723296	0	42	-2.0	-138.66	358.47	4.23	-134.43
CC(C)CN1C=NC(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300018723297	0	45	-2.0	-123.14	379.88	4.92	-118.22
O=C([O-])C1CCSCN1CC1=CC(Cl)=CC(F)=C1[O-]	REAL300019186022	0	30	-2.0	-98.59	276.59	5.06	-93.53
O=C([O-])C1CCSCN1CC1=CC(Cl)=C(Br)C=C1[O-]	REAL300019186193	1	30	-2.0	-96.80	289.23	5.45	-91.35
COC1=C([N+](=O)[O-])C=CC(CN(CCC#N)CC(=O)[O-])=C1[O-]	REAL300019186284	1	35	-2.0	-89.79	308.56	5.05	-84.74
N#CCC[N@@H+](CC(=O)[O-])CC1=CC(Cl)=CC(Br)=C1[O-]	REAL300019186784	0	29	-2.0	-107.64	281.87	5.17	-102.47
N#CCCN(CC(=O)[O-])CC1=CC(Cl)=CC(Br)=C1[O-]	REAL300019186784	1	29	-2.0	-107.64	281.87	5.17	-102.47
N#CCCN(CC(=O)[O-])CC1=CC(Br)=CC(Br)=C1[O-]	REAL300019187015	1	29	-2.0	-107.70	286.43	5.28	-102.42