CCOCCS(=O)(=O)[N-]CC(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728060	1	43	-2.0	-104.28	378.34	-0.93	-105.21
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300005728087	0	33	-2.0	-102.69	296.74	3.46	-99.23
COC1=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=CC(OC)=C1[O-]	REAL300005728096	1	41	-2.0	-111.04	349.06	3.55	-107.49
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300005728100	0	36	-2.0	-112.25	327.13	5.57	-106.68
O=C(CCC1=N[N-]N=N1)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728134	0	33	-2.0	-94.13	294.97	1.48	-92.65
O=C(CCC1=NN=N[N-]1)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728134	1	33	-2.0	-94.09	295.03	1.49	-92.60
O=C([O-])C1CCS(=O)(=NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)CC1	REAL300005729049	0	41	-2.0	-109.29	356.55	7.48	-101.81
O=C([O-])C1CCS(=O)(=NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)CC1	REAL300005729049	1	41	-2.0	-109.32	356.58	7.47	-101.85
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300005729121	0	36	-2.0	-94.98	324.87	1.82	-93.16
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300005729121	1	36	-2.0	-94.97	324.92	1.81	-93.16
CCCCS(=O)(=O)C=C([O-])N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005729318	0	40	-2.0	-117.85	347.59	2.24	-115.61
COCC1=NC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C(=O)[N-]1	REAL300005729457	1	38	-2.0	-100.37	333.50	0.64	-99.73
O=C([O-])C1CCS(=O)(=NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300005729506	1	41	-2.0	-111.32	346.84	3.50	-107.82
CC(C)=CCC1=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=CC=C1[O-]	REAL300005729549	0	46	-2.0	-106.41	383.30	6.78	-99.63
CC1=C([O-])C=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=C1C	REAL300005729563	1	39	-2.0	-98.71	325.05	4.62	-94.09
C=CCC1(C(=O)[O-])CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300005947002	0	36	-2.0	-103.52	332.31	6.93	-96.59
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300007565002	1	35	-2.0	-102.68	330.43	4.27	-98.41
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300007568040	1	39	-2.0	-129.15	353.72	3.29	-125.86
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(C)C=C2)C(F)=C1	REAL300007568051	1	41	-2.0	-135.59	370.84	5.99	-129.60
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCCC1	REAL300007568243	1	37	-2.0	-127.82	314.64	5.90	-121.92
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)C([N+](=O)[O-])=N1	REAL300007568376	1	39	-2.0	-138.34	327.88	6.10	-132.24
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)C(C(F)(F)F)=N1	REAL300007568426	1	37	-2.0	-130.19	316.04	4.20	-125.99
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCCC1	REAL300007568429	1	37	-2.0	-134.38	308.29	5.83	-128.55
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)C(N)=NO1	REAL300007568478	1	35	-2.0	-118.38	286.47	2.82	-115.56
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=N1	REAL300007568513	0	36	-2.0	-147.63	306.81	4.29	-143.34
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=C(C2=CC=CC=C2)O1	REAL300007568616	1	43	-2.0	-147.97	354.75	4.40	-143.57
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=N1	REAL300007568629	1	36	-2.0	-130.51	299.30	2.29	-128.22
O=C([O-])C(CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007570431	1	37	-2.0	-131.41	344.74	6.82	-124.59
CCN1C=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007570572	1	39	-2.0	-141.73	357.19	7.04	-134.69
CN1C=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007570623	1	37	-2.0	-133.39	351.69	4.62	-128.77
O=C([O-])C(CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007570626	1	37	-2.0	-138.22	343.38	6.15	-132.07
CC1=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])C(N)=NO1	REAL300007570676	1	35	-2.0	-121.67	314.96	3.72	-117.95
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007570709	0	36	-2.0	-142.68	340.74	4.75	-137.93
CC1=NC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007570816	1	43	-2.0	-151.88	384.58	5.32	-146.56
CCN1N=CC(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007570829	1	36	-2.0	-134.02	329.26	3.23	-130.79
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300007570840	1	38	-2.0	-141.38	346.52	5.91	-135.47
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007571001	0	39	-2.0	-102.73	355.11	-0.67	-103.40
CN1C=C(S(=O)(=O)[N-]CCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007571111	1	27	-2.0	-113.11	271.81	0.64	-112.47
CC1=NC(S(=O)(=O)[N-]CCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007571181	1	33	-2.0	-125.48	309.22	0.77	-124.71
CNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007571296	0	38	-2.0	-143.56	340.11	4.59	-138.97
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=N1	REAL300007574006	1	36	-2.0	-130.51	299.30	2.29	-128.22
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(F)=C1	REAL300007575030	1	41	-2.0	-95.78	368.42	1.21	-94.57
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007575071	0	42	-2.0	-100.54	366.93	0.23	-100.31
O=C([O-])CCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007575084	1	30	-2.0	-103.51	290.85	3.08	-100.43
CCN1C=C(S(=O)(=O)[N-]CCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007575179	1	32	-2.0	-112.48	304.99	3.50	-108.98
CN1C=C(S(=O)(=O)[N-]CCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007575221	1	30	-2.0	-106.72	293.31	1.46	-105.26
CC1=NC(S(=O)(=O)[N-]CCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007575338	1	36	-2.0	-118.81	330.72	1.59	-117.22
COC1=CC(F)=C(S(=O)(=O)[N-]CCCC(=O)[O-])C(F)=C1	REAL300007575348	1	31	-2.0	-109.79	292.66	2.19	-107.60
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(OC)=C1	REAL300007577011	1	45	-2.0	-95.69	387.50	1.20	-94.49
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(F)=C1	REAL300007577041	1	41	-2.0	-105.36	365.26	1.11	-104.25
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007577082	0	42	-2.0	-104.18	374.88	0.04	-104.14
CC(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007577095	1	30	-2.0	-110.04	289.79	3.01	-107.03
CCN1C=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007577190	1	32	-2.0	-119.60	302.25	3.37	-116.23
CC(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007577232	1	30	-2.0	-113.75	292.80	1.43	-112.32
CC1=NC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007577349	1	36	-2.0	-125.52	327.98	1.46	-124.06
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])C(F)=C1	REAL300007577359	1	31	-2.0	-118.04	290.80	2.10	-115.94
COC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2C)C=C1OC	REAL300007577438	1	44	-2.0	-114.68	383.06	3.91	-110.77
COC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2N)C=C1OC	REAL300007577484	0	43	-2.0	-111.63	368.43	2.06	-109.57
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(OC)C(OC)=C2)=N1	REAL300007577505	1	44	-2.0	-127.32	391.09	1.83	-125.49
COC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1OC	REAL300007577507	1	39	-2.0	-123.80	369.14	3.43	-120.37
CCCN(CC)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007578208	0	36	-2.0	-135.22	322.19	6.48	-128.74
CCCC(C)N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007578264	0	39	-2.0	-134.95	339.07	7.15	-127.80
CC(C)CN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007578319	0	36	-2.0	-134.08	316.97	6.13	-127.95
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007579024	0	43	-2.0	-139.16	377.14	8.80	-130.36
CC1=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(N)=NO1	REAL300007580047	1	32	-2.0	-102.62	299.98	2.06	-100.56
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300007580083	0	33	-2.0	-122.47	320.79	3.58	-118.89
CC1=NC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300007580194	1	40	-2.0	-116.21	366.86	3.87	-112.34
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300007580207	1	33	-2.0	-109.49	313.30	1.53	-107.96
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(F)=C1	REAL300007580217	1	35	-2.0	-113.16	330.44	4.26	-108.90
CC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007580355	0	37	-2.0	-134.49	338.65	6.69	-127.80
CN1C=NN=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007580408	1	26	-2.0	-118.34	266.27	2.04	-116.30
CN1C=NN=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007580450	0	33	-2.0	-137.45	317.07	5.10	-132.35
CN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CS2)C(C(F)(F)F)=N1	REAL300007595043	1	34	-2.0	-125.67	339.31	3.86	-121.81
CC1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CS2)C(N)=NO1	REAL300007595101	1	32	-2.0	-111.24	309.79	2.17	-109.07
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CS2)=N1	REAL300007595133	0	33	-2.0	-134.84	329.73	3.77	-131.07
CC1=NC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CS2)=C(C2=CC=CC=C2)O1	REAL300007595238	1	40	-2.0	-127.47	366.84	3.79	-123.68
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CS2)=N1	REAL300007595250	1	33	-2.0	-125.00	323.06	1.64	-123.36
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CS2)C(F)=C1	REAL300007595261	1	35	-2.0	-124.02	331.77	4.17	-119.85
O=C([O-])CC([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=CS1	REAL300007595272	1	28	-2.0	-120.36	301.26	3.27	-117.09
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C(C2=CC=CC=C2)O1	REAL300007597052	1	40	-2.0	-143.64	339.36	3.55	-140.09
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C(F)=C1	REAL300007597071	1	35	-2.0	-136.78	300.60	4.15	-132.63
O=C([O-])C1([N-]S(=O)(=O)C2=CN=CS2)CC2=CC=CC=C2C1	REAL300007605017	1	31	-2.0	-132.93	293.80	3.52	-129.41
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(F)=C1	REAL300007606006	1	35	-2.0	-142.26	332.89	5.40	-136.86
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC(F)=CC=C1F	REAL300007606014	1	28	-2.0	-133.39	296.84	4.28	-129.11
CC1=NC(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=CC=C2)=C(C2=CC=CC=C2)O1	REAL300007607034	1	43	-2.0	-141.94	377.17	4.53	-137.41
CCN1N=CC(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300007607046	1	36	-2.0	-126.49	321.35	2.46	-124.03
CCN1C=C(S(=O)(=O)[N-]C(CCC(=O)[O-])C2=CC=CC=C2)C([N+](=O)[O-])=N1	REAL300007607327	1	42	-2.0	-122.53	382.32	7.30	-115.23
CN1C=C(S(=O)(=O)[N-]C(CCC(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)=N1	REAL300007607370	1	40	-2.0	-117.41	372.88	5.36	-112.05
CC1=C(S(=O)(=O)[N-]C(CCC(=O)[O-])C2=CC=CC=C2)C(N)=NO1	REAL300007607429	1	38	-2.0	-104.88	340.05	3.89	-100.99
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CCC(=O)[O-])C2=CC=CC=C2)=N1	REAL300007607461	0	39	-2.0	-127.32	360.69	5.48	-121.84
CCN1N=CC(S(=O)(=O)[N-]C(CCC(=O)[O-])C2=CC=CC=C2)=N1	REAL300007607566	1	39	-2.0	-112.95	354.33	3.36	-109.59
COC1=CC(F)=C(S(=O)(=O)[N-]C(CCC(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300007607577	1	41	-2.0	-118.17	371.61	6.07	-112.10
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CSC=C3)CC2)C=C1C(=O)[O-]	REAL300007629061	0	41	-2.0	-141.43	369.97	8.48	-132.95
COC1=CC=C(CC(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007629159	1	41	-2.0	-95.38	366.03	4.67	-90.71
CCC(CC)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC=C1	REAL300007629247	1	43	-2.0	-97.68	376.48	6.13	-91.55
CC1=CC=CC=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007629352	0	40	-2.0	-135.59	359.72	7.35	-128.24
CC1=CC=CC=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007629356	1	34	-2.0	-96.55	328.91	4.60	-91.95
CSC1=CC=C(CCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007629461	0	41	-2.0	-136.11	383.24	7.84	-128.27
CSC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007629465	1	35	-2.0	-95.17	353.78	5.15	-90.02
CC1=NC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)=C(C2=CC=CC=C2)O1	REAL300007630010	1	42	-2.0	-142.85	357.55	2.95	-139.90
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)C(F)=C1	REAL300007630029	1	37	-2.0	-138.44	319.87	4.00	-134.44
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCCC1	REAL300007631366	1	40	-2.0	-124.36	332.01	6.22	-118.14
CCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)C([N+](=O)[O-])=N1	REAL300007631507	1	42	-2.0	-133.01	341.04	6.56	-126.45
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)C(C(F)(F)F)=N1	REAL300007631562	1	40	-2.0	-124.19	331.88	4.52	-119.67
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCCC1	REAL300007631565	1	40	-2.0	-132.65	325.60	6.15	-126.50
CC1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)C(N)=NO1	REAL300007631615	1	38	-2.0	-110.58	302.39	3.16	-107.42
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)=N1	REAL300007631650	0	39	-2.0	-139.98	324.30	4.61	-135.37
CC1=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)=C(C2=CC=CC=C2)O1	REAL300007631757	1	46	-2.0	-139.71	367.44	4.59	-135.12
CCN1N=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)=N1	REAL300007631770	1	39	-2.0	-123.79	316.68	2.61	-121.18
COC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)C(F)=C1	REAL300007631782	1	41	-2.0	-128.35	333.83	5.34	-123.01
CC1=NC(S(=O)(=O)[N-]C(CC(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300007634061	1	40	-2.0	-138.33	342.21	3.95	-134.38
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2CC2)C(F)=C1	REAL300007634080	1	35	-2.0	-128.39	314.11	3.90	-124.49
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C(F)=C1	REAL300007635011	1	41	-2.0	-97.30	374.63	1.55	-95.75
CCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300007635051	0	42	-2.0	-104.66	374.90	0.29	-104.37
CCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007635064	1	30	-2.0	-126.79	284.92	3.81	-122.98
CCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007635154	1	32	-2.0	-134.72	304.03	3.62	-131.10
CCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007635191	1	30	-2.0	-128.43	293.67	1.65	-126.78
CCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007635303	1	36	-2.0	-146.79	324.80	2.31	-144.48
CCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007635313	1	31	-2.0	-136.47	286.74	2.91	-133.56
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007637054	1	39	-2.0	-96.26	355.34	5.42	-90.84
CCN1C=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007637195	1	41	-2.0	-103.56	369.49	5.84	-97.72
CN1C=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007637248	1	39	-2.0	-98.77	357.80	3.80	-94.97
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007637251	1	39	-2.0	-101.78	348.93	5.35	-96.43
CC1=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(N)=NO1	REAL300007637300	1	37	-2.0	-90.83	325.60	2.36	-88.47
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=N1	REAL300007637336	0	38	-2.0	-112.00	347.52	3.86	-108.14
CC1=NC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007637447	1	45	-2.0	-110.07	395.22	3.93	-106.14
CCN1N=CC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=N1	REAL300007637460	1	38	-2.0	-98.13	340.02	1.80	-96.33
COC1=CC(F)=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(F)=C1	REAL300007637471	1	40	-2.0	-102.27	357.16	4.54	-97.73
CCN1C=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300007639007	1	39	-2.0	-108.19	340.99	5.31	-102.88
CN1C=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300007639060	1	37	-2.0	-102.93	329.33	3.27	-99.66
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CC1	REAL300007639063	1	37	-2.0	-106.29	320.45	4.82	-101.47
CC1=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C(N)=NO1	REAL300007639112	1	35	-2.0	-100.55	294.49	2.09	-98.46
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=N1	REAL300007639147	0	36	-2.0	-114.84	317.77	3.38	-111.46
CC1=NC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300007639257	1	43	-2.0	-114.79	366.73	3.41	-111.38
CCN1N=CC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=N1	REAL300007639270	1	36	-2.0	-101.71	311.39	1.30	-100.41
COC1=CC(F)=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C(F)=C1	REAL300007639281	1	38	-2.0	-111.96	323.60	4.26	-107.70
CCN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C([N+](=O)[O-])=N1	REAL300007639633	1	36	-2.0	-105.79	342.75	5.59	-100.20
CN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300007639687	1	34	-2.0	-100.87	332.43	3.60	-97.27
CC1=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C(N)=NO1	REAL300007639739	1	32	-2.0	-92.64	298.87	2.09	-90.55
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300007639775	0	33	-2.0	-110.36	319.54	3.68	-106.68
CC1=NC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=C(C2=CC=CC=C2)O1	REAL300007639886	1	40	-2.0	-108.15	366.76	3.89	-104.26
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300007639899	1	33	-2.0	-99.08	313.15	1.55	-97.53
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300007639909	1	35	-2.0	-102.68	330.43	4.27	-98.41
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(OC)=C1	REAL300007640010	1	42	-2.0	-100.05	375.83	0.47	-99.58
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(F)=C1	REAL300007640037	1	38	-2.0	-102.85	352.96	0.76	-102.09
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640072	0	39	-2.0	-102.07	351.83	-0.72	-102.79
CC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007640173	1	27	-2.0	-119.42	268.15	0.93	-118.49
CC1=NC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007640240	1	33	-2.0	-133.90	304.70	0.98	-132.92
CCOC1=CC=C(CC(C[N-]S(=O)(=O)C2=C(C)ON=C2N)C(=O)[O-])C=C1	REAL300007640407	1	45	-2.0	-117.31	391.29	3.83	-113.48
CCOC1=CC=C(CC(C[N-]S(=O)(=O)C2=NN(CC)N=C2)C(=O)[O-])C=C1	REAL300007640444	1	46	-2.0	-128.64	405.71	3.27	-125.37
CCN1C=C(S(=O)(=O)[N-]CC2=C(C(=O)[O-])OC3=CC=CC=C32)C([N+](=O)[O-])=N1	REAL300007640655	1	39	-2.0	-132.47	368.39	6.23	-126.24
CC1=C(S(=O)(=O)[N-]CC2=C(C(=O)[O-])OC3=CC=CC=C32)C(N)=NO1	REAL300007640748	1	35	-2.0	-120.28	325.61	2.70	-117.58
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=C(C(=O)[O-])OC3=CC=CC=C32)=N1	REAL300007640771	0	36	-2.0	-144.05	345.17	4.32	-139.73
CCN1N=CC(S(=O)(=O)[N-]CC2=C(C(=O)[O-])OC3=CC=CC=C32)=N1	REAL300007640862	1	36	-2.0	-129.04	338.78	2.19	-126.85
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=C(C(=O)[O-])OC3=CC=CC=C32)C(F)=C1	REAL300007640872	1	38	-2.0	-137.16	356.05	4.91	-132.25
O=C([O-])C1=C(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)C2=CC=CC=C2O1	REAL300007640877	1	31	-2.0	-128.36	316.85	3.84	-124.52
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007641017	0	39	-2.0	-112.44	353.98	-0.63	-113.07
C[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007641127	1	27	-2.0	-119.61	268.39	0.91	-118.70
CC1=NC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007641197	1	33	-2.0	-133.76	304.21	1.01	-132.75
CC1=C(S(=O)(=O)[N-]CC2=C(C(=O)[O-])SC3=CC=CC=C32)C(N)=NO1	REAL300007641431	1	35	-2.0	-123.48	331.21	3.32	-120.16
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=C(C(=O)[O-])SC3=CC=CC=C32)=N1	REAL300007641447	0	36	-2.0	-145.75	350.78	4.94	-140.81
CCN1N=CC(S(=O)(=O)[N-]CC2=C(C(=O)[O-])SC3=CC=CC=C32)=N1	REAL300007641506	1	36	-2.0	-133.23	344.38	2.81	-130.42
O=C([O-])C1=C(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)C2=CC=CC=C2S1	REAL300007641514	1	31	-2.0	-129.51	322.45	4.45	-125.06
CC1=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(C)C=C2)C(N)=NO1	REAL300007645004	1	38	-2.0	-118.62	337.12	3.65	-114.97
CC1=CC=C(C(C[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])C=C1	REAL300007645036	0	39	-2.0	-144.63	357.93	5.00	-139.63
CCN1N=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(C)C=C2)=N1	REAL300007645141	1	39	-2.0	-128.04	351.39	3.10	-124.94
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(C)C=C2)C(F)=C1	REAL300007645152	1	41	-2.0	-137.62	368.83	5.59	-132.03
O=C([O-])C(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1=CC=CC=C1	REAL300007648052	1	37	-2.0	-129.78	345.63	5.80	-123.98
CCN1C=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=CC=C2)C([N+](=O)[O-])=N1	REAL300007648193	1	39	-2.0	-134.90	359.77	6.22	-128.68
CN1C=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)=N1	REAL300007648244	1	37	-2.0	-127.89	347.90	4.40	-123.49
O=C([O-])C(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1=CC=CC=C1	REAL300007648247	1	37	-2.0	-137.57	339.22	5.73	-131.84
CC1=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=CC=C2)C(N)=NO1	REAL300007648297	1	35	-2.0	-119.79	315.87	2.75	-117.04
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300007648330	0	36	-2.0	-144.74	336.36	4.55	-140.19
CC1=NC(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=CC=C2)=C(C2=CC=CC=C2)O1	REAL300007648437	1	43	-2.0	-141.74	383.76	4.54	-137.20
CCN1N=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300007648450	1	36	-2.0	-128.77	330.15	2.20	-126.57
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300007648461	1	38	-2.0	-137.03	347.44	4.92	-132.11
O=C([O-])COC1=CC=C(CC[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1	REAL300007648607	1	41	-2.0	-94.95	381.18	6.23	-88.72
CCN1C=C(S(=O)(=O)[N-]CCC2=CC=C(OCC(=O)[O-])C=C2)C([N+](=O)[O-])=N1	REAL300007648700	1	43	-2.0	-101.90	395.32	6.65	-95.25
O=C([O-])COC1=CC=C(CC[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300007648735	1	41	-2.0	-100.30	374.76	6.16	-94.14
CC1=C(S(=O)(=O)[N-]CCC2=CC=C(OCC(=O)[O-])C=C2)C(N)=NO1	REAL300007648786	1	39	-2.0	-89.73	351.43	3.16	-86.57
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCC2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300007648807	0	40	-2.0	-108.37	372.07	4.75	-103.62
CCN1N=CC(S(=O)(=O)[N-]CCC2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300007648895	1	40	-2.0	-96.50	365.71	2.62	-93.88
COC1=CC(C[N-]S(=O)(=O)C2=C(C)ON=C2C)=CC=C1C(=O)[O-]	REAL300007650305	1	37	-2.0	-97.81	332.83	3.70	-94.11
CCN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C(OC)=C2)C([N+](=O)[O-])=N1	REAL300007650378	1	40	-2.0	-110.27	370.06	5.64	-104.63
COC1=CC(C[N-]S(=O)(=O)C2=C(C)ON=C2N)=CC=C1C(=O)[O-]	REAL300007650477	0	36	-2.0	-97.83	327.28	2.12	-95.71
COC1=CC(C[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007650509	1	37	-2.0	-116.61	348.10	3.65	-112.96
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C(OC)=C2)=N1	REAL300007650611	1	37	-2.0	-104.20	340.60	1.59	-102.61
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C(OC)=C2)C(F)=C1	REAL300007650622	1	39	-2.0	-107.52	357.72	4.32	-103.20
CC(C)C([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007651056	0	32	-2.0	-147.16	288.91	2.56	-144.60
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300007651148	1	39	-2.0	-145.73	342.14	2.87	-142.86
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)C(F)=C1	REAL300007651164	1	34	-2.0	-138.81	304.09	3.44	-135.37
CCC1CCC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)(C(=O)[O-])CC1	REAL300007651346	1	43	-2.0	-129.15	353.55	7.16	-121.99
CCC1CCC([N-]S(=O)(=O)C2=CN(CC)N=C2[N+](=O)[O-])(C(=O)[O-])CC1	REAL300007651482	1	45	-2.0	-122.44	371.67	7.32	-115.12
CCC1CCC([N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)(C(=O)[O-])CC1	REAL300007651532	1	43	-2.0	-131.36	355.10	5.46	-125.90
CCC1CCC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)(C(=O)[O-])CC1	REAL300007651535	1	43	-2.0	-135.85	347.13	7.09	-128.76
CCC1CCC([N-]S(=O)(=O)C2=C(C)ON=C2N)(C(=O)[O-])CC1	REAL300007651590	1	41	-2.0	-112.25	323.87	2.82	-109.43
CCC1CCC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])(C(=O)[O-])CC1	REAL300007651622	0	42	-2.0	-148.92	345.88	5.55	-143.37
CCC1CCC([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)(C(=O)[O-])CC1	REAL300007651727	1	49	-2.0	-148.78	394.38	5.69	-143.09
CCC1CCC([N-]S(=O)(=O)C2=NN(CC)N=C2)(C(=O)[O-])CC1	REAL300007651739	1	42	-2.0	-131.79	338.37	3.54	-128.25
CCC1CCC([N-]S(=O)(=O)C2=C(F)C=C(OC)C=C2F)(C(=O)[O-])CC1	REAL300007651750	1	44	-2.0	-128.47	354.04	5.04	-123.43
CCN1C=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300007652068	1	36	-2.0	-126.08	323.94	5.58	-120.50
CN1C=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300007652111	1	34	-2.0	-122.58	310.09	3.48	-119.10
CC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)(C(=O)[O-])C1CC1	REAL300007652112	1	34	-2.0	-130.39	303.52	5.10	-125.29
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)=N1	REAL300007652183	0	33	-2.0	-140.11	301.75	3.33	-136.78
CC1=NC(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300007652282	1	40	-2.0	-128.60	344.59	3.58	-125.02
CSC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2C)C=C1	REAL300007652503	1	40	-2.0	-111.45	355.87	5.42	-106.03
CSC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2N)C=C1	REAL300007652585	0	39	-2.0	-116.39	358.14	4.15	-112.24
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(SC)C=C2)=N1	REAL300007652649	1	40	-2.0	-118.33	363.44	3.38	-114.95
CSC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(Cl)OC=C2)C=C1	REAL300007652657	1	35	-2.0	-123.30	350.69	5.25	-118.05
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300007653039	1	34	-2.0	-139.96	308.93	2.45	-137.51
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C(F)=C1	REAL300007653047	1	29	-2.0	-133.77	273.53	2.80	-130.97
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C([N+](=O)[O-])=N1	REAL300007653302	1	36	-2.0	-133.46	353.92	7.00	-126.46
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C(F)(F)F)=N1	REAL300007653343	1	34	-2.0	-126.99	341.67	5.08	-121.91
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(N)=NO1	REAL300007653404	1	32	-2.0	-118.02	308.13	3.55	-114.47
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300007653435	0	33	-2.0	-144.02	328.61	4.89	-139.13
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300007653535	1	33	-2.0	-128.60	324.32	2.98	-125.62
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(F)=C1	REAL300007653546	1	35	-2.0	-136.57	339.67	5.73	-130.84
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C([N+](=O)[O-])=N1	REAL300007676160	1	36	-2.0	-127.61	347.98	6.65	-120.96
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C(F)(F)F)=N1	REAL300007676193	1	34	-2.0	-124.09	338.22	4.56	-119.53
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(N)=NO1	REAL300007676244	1	32	-2.0	-115.00	307.10	3.07	-111.93
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300007676270	0	33	-2.0	-144.73	327.91	4.64	-140.09
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300007676355	1	33	-2.0	-120.60	325.39	1.97	-118.63
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=C(F)C(F)=C1	REAL300007676368	1	28	-2.0	-124.49	298.35	4.23	-120.26
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C(N)=NO1	REAL300007676557	1	32	-2.0	-116.14	316.99	3.52	-112.62
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300007676573	0	33	-2.0	-137.06	342.77	4.47	-132.59
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300007676626	1	33	-2.0	-121.84	335.28	2.41	-119.43
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=C(Cl)C(F)=C1	REAL300007676632	1	28	-2.0	-125.33	308.24	4.67	-120.66
CCN1C=C(S(=O)(=O)[N-]CC2=NC(C)=C(C(=O)[O-])S2)C([N+](=O)[O-])=N1	REAL300007687006	1	35	-2.0	-105.99	346.45	3.40	-102.59
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=CN(C)N=C2C(F)(F)F)=N1	REAL300007687055	1	33	-2.0	-100.87	336.12	1.41	-99.46
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=C(C)ON=C2N)=N1	REAL300007687113	0	31	-2.0	-92.35	303.67	-0.13	-92.48
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])=N1	REAL300007687145	0	32	-2.0	-110.59	323.22	1.49	-109.10
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)=N1	REAL300007687217	1	30	-2.0	-99.43	316.14	2.95	-96.48
CC1=NC(S(=O)(=O)[N-]CC2=NC(C)=C(C(=O)[O-])S2)=C(C2=CC=CC=C2)O1	REAL300007687248	1	39	-2.0	-108.10	370.45	1.70	-106.40
CCN1N=CC(S(=O)(=O)[N-]CC2=NC(C)=C(C(=O)[O-])S2)=N1	REAL300007687260	1	32	-2.0	-99.05	316.84	-0.64	-99.69
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=NC(C)=C(C(=O)[O-])S2)C(F)=C1	REAL300007687271	1	34	-2.0	-102.86	334.11	2.08	-100.78
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)=N1	REAL300007687280	1	29	-2.0	-97.10	323.46	0.49	-96.61
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)=N1	REAL300007687282	1	27	-2.0	-97.04	294.90	1.01	-96.03
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=CN=CS2)=N1	REAL300007687319	1	26	-2.0	-95.89	282.71	-0.39	-96.28
O=C([O-])C(CC1=CNC2=CC=CC=C12)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007689111	1	41	-2.0	-143.73	368.92	6.83	-136.90
CC1=C(S(=O)(=O)[N-]C(CC2=CNC3=CC=CC=C23)C(=O)[O-])C(N)=NO1	REAL300007689149	1	39	-2.0	-125.03	344.95	3.84	-121.19
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300007689166	0	40	-2.0	-149.18	372.53	4.81	-144.37
CCN1N=CC(S(=O)(=O)[N-]C(CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300007689228	1	40	-2.0	-139.42	361.13	3.29	-136.13
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCCCC1	REAL300007689479	1	40	-2.0	-128.74	322.42	6.91	-121.83
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)C([N+](=O)[O-])=N1	REAL300007689620	1	42	-2.0	-138.44	339.11	6.90	-131.54
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)C(C(F)(F)F)=N1	REAL300007689675	1	40	-2.0	-130.61	326.61	5.01	-125.60
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCCCC1	REAL300007689678	1	40	-2.0	-138.67	318.57	6.63	-132.04
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)C(N)=NO1	REAL300007689728	1	38	-2.0	-119.15	290.60	3.56	-115.59
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)=N1	REAL300007689763	0	39	-2.0	-146.62	314.59	5.29	-141.33
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)=C(C2=CC=CC=C2)O1	REAL300007689870	1	46	-2.0	-147.67	365.26	5.19	-142.48
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)=N1	REAL300007689883	1	39	-2.0	-128.67	307.09	3.30	-125.37
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)C(F)=C1	REAL300007689895	1	41	-2.0	-136.55	320.81	5.59	-130.96
CCN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)C([N+](=O)[O-])=N1	REAL300007708152	1	39	-2.0	-125.62	361.18	6.61	-119.01
CN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)=N1	REAL300007708203	1	37	-2.0	-129.78	351.77	4.61	-125.17
CC1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)C(N)=NO1	REAL300007708256	1	35	-2.0	-117.98	317.91	3.13	-114.85
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)=N1	REAL300007708289	0	36	-2.0	-139.70	338.29	4.74	-134.96
CC1=NC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)=C(C2=CC=CC=C2)O1	REAL300007708396	1	43	-2.0	-146.48	387.76	4.71	-141.77
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)=N1	REAL300007708409	1	36	-2.0	-125.55	332.00	2.60	-122.95
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300007708420	1	38	-2.0	-134.51	349.43	5.31	-129.20
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300007711026	1	42	-2.0	-111.82	368.88	2.61	-109.21
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007711070	0	43	-2.0	-117.55	372.33	1.52	-116.03
CCN1C=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(F)C=C2)C([N+](=O)[O-])=N1	REAL300007722026	1	39	-2.0	-124.42	365.99	6.51	-117.91
CN1C=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(F)C=C2)C(C(F)(F)F)=N1	REAL300007722067	1	37	-2.0	-119.73	354.31	4.47	-115.26
O=C([O-])C(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1=CC=C(F)C=C1	REAL300007722070	1	37	-2.0	-129.14	345.61	5.80	-123.34
CC1=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(F)C=C2)C(N)=NO1	REAL300007722128	1	35	-2.0	-112.16	322.11	3.03	-109.13
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300007722160	0	36	-2.0	-135.37	342.94	4.40	-130.97
CCN1N=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300007722262	1	36	-2.0	-119.34	336.39	2.49	-116.85
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C(=O)[O-])C2=CC=C(F)C=C2)C(F)=C1	REAL300007722273	1	38	-2.0	-128.31	353.85	4.99	-123.32
C=CCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007723056	1	34	-2.0	-127.12	317.30	5.21	-121.91
C=CCCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007723178	1	36	-2.0	-132.27	331.46	5.64	-126.63
C=CCCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007723223	1	34	-2.0	-127.38	319.93	3.61	-123.77
C=CCCC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007723224	1	34	-2.0	-135.17	312.83	5.08	-130.09
C=CCCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007723295	0	33	-2.0	-149.96	311.41	3.61	-146.35
C=CCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007723400	1	40	-2.0	-143.37	363.61	3.06	-140.31
C=CCCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007723419	1	35	-2.0	-138.08	321.05	4.25	-133.83
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300007724014	1	35	-2.0	-127.41	308.31	3.70	-123.71
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)C([N+](=O)[O-])=N1	REAL300007724362	1	36	-2.0	-140.37	335.26	6.53	-133.84
O=C([O-])C([N-]S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1=CC=CC=C1	REAL300007724408	1	39	-2.0	-147.14	347.94	6.39	-140.75
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)=N1	REAL300007724416	1	34	-2.0	-136.17	326.87	4.50	-131.67
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)C(N)=NO1	REAL300007724468	1	32	-2.0	-126.99	293.30	2.96	-124.03
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300007724504	0	33	-2.0	-158.21	315.20	4.51	-153.70
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=C(C2=CC=CC=C2)O1	REAL300007724615	1	40	-2.0	-150.44	367.64	3.99	-146.45
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300007724628	1	33	-2.0	-136.94	305.63	2.53	-134.41
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300007724638	1	35	-2.0	-139.57	329.82	4.58	-134.99
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)C(C(F)(F)F)=N1	REAL300007727032	1	35	-2.0	-125.91	307.17	1.72	-124.19
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCOCC1	REAL300007727035	1	35	-2.0	-129.67	300.08	3.39	-126.28
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)C(N)=NO1	REAL300007727084	1	33	-2.0	-114.00	278.51	0.33	-113.67
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=N1	REAL300007727120	0	34	-2.0	-143.73	298.67	1.65	-142.08
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C(C2=CC=CC=C2)O1	REAL300007727231	1	41	-2.0	-139.04	345.96	1.96	-137.08
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=N1	REAL300007727244	1	34	-2.0	-124.79	291.17	-0.16	-124.95
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)C(F)=C1	REAL300007727255	1	36	-2.0	-132.45	308.31	2.54	-129.91
CC1=C(S(=O)(=O)[N-]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C(N)=NO1	REAL300007749326	1	38	-2.0	-92.71	365.64	2.87	-89.84
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300007749347	1	39	-2.0	-98.82	378.81	2.36	-96.46
O=C([O-])CCC(CC1CCCCC1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007754232	1	49	-2.0	-115.82	401.28	8.09	-107.73
O=C([O-])CCC(CC1CCCCC1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007754357	1	49	-2.0	-123.16	394.85	8.02	-115.14
CC1=C(S(=O)(=O)[N-]C(CCC(=O)[O-])CC2CCCCC2)C(N)=NO1	REAL300007754404	1	47	-2.0	-102.42	376.11	5.02	-97.40
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CCC(=O)[O-])CC2CCCCC2)=N1	REAL300007754424	0	48	-2.0	-129.24	399.56	6.25	-122.99
CCN1N=CC(S(=O)(=O)[N-]C(CCC(=O)[O-])CC2CCCCC2)=N1	REAL300007754505	1	48	-2.0	-111.67	391.25	4.42	-107.25
CC1(C)CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=CC(F)=CC=C21	REAL300007891073	0	41	-2.0	-141.96	366.80	9.07	-132.89
CCC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)CO1	REAL300007891185	0	41	-2.0	-135.40	353.31	5.84	-129.56
O=C([O-])CN1C=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C=N1	REAL300007899041	1	38	-2.0	-99.19	344.37	2.30	-96.89
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)S1	REAL300007899042	1	35	-2.0	-97.04	331.07	3.66	-93.38
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899043	0	35	-2.0	-121.62	315.91	1.15	-120.47
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)O1	REAL300007899045	0	35	-2.0	-100.69	324.56	2.54	-98.15
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)O1	REAL300007899046	0	38	-2.0	-101.45	342.80	3.02	-98.43
O=C([O-])CCCS(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899047	0	37	-2.0	-100.32	328.51	3.13	-97.19
O=C([O-])C1=CC=C(CS(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C=C1	REAL300007899048	0	41	-2.0	-97.20	366.26	5.24	-91.96
O=C([O-])C1=CC=CC(CS(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=C1	REAL300007899049	0	41	-2.0	-105.26	370.52	4.77	-100.49
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)O1	REAL300007899050	0	35	-2.0	-100.69	324.56	2.54	-98.15
O=C([O-])CCCS(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899052	0	37	-2.0	-100.32	328.51	3.13	-97.19
O=C([O-])C1=CSC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=C1	REAL300007899053	0	35	-2.0	-102.21	331.99	3.57	-98.64
O=C([O-])C1=COC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=C1	REAL300007899059	0	35	-2.0	-101.33	323.82	2.65	-98.68
CC1=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007899061	1	38	-2.0	-102.35	341.81	3.67	-98.68
O=C([O-])C1=CN=CC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=C1	REAL300007899062	1	37	-2.0	-98.32	333.98	2.73	-95.59
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899063	0	34	-2.0	-120.51	315.48	2.64	-117.87
O=C([O-])C1=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)SC=N1	REAL300007899064	0	34	-2.0	-125.49	320.28	1.84	-123.65
O=C([O-])CCCCCS(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899066	0	43	-2.0	-95.85	371.50	4.69	-91.16
O=C([O-])C1=CC=C(CS(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C=C1	REAL300007899071	0	41	-2.0	-97.20	366.26	5.24	-91.96
O=C([O-])CC1(CS(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)CC1	REAL300007899075	0	41	-2.0	-105.83	352.76	4.41	-101.42
CCC1=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C=C(C(=O)[O-])O1	REAL300007899077	1	41	-2.0	-102.21	360.93	4.62	-97.59
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C=C1F	REAL300007899081	1	41	-2.0	-96.43	367.43	5.00	-91.43
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=C1	REAL300007899083	0	38	-2.0	-104.70	341.53	3.49	-101.21
O=C([O-])C1=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)OC=C1	REAL300007899084	0	35	-2.0	-123.70	316.02	3.39	-120.31
O=C([O-])C1(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)CCC1	REAL300007899085	0	38	-2.0	-111.55	322.73	4.40	-107.15
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899087	0	35	-2.0	-121.62	315.91	1.15	-120.47
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=C1	REAL300007899089	0	35	-2.0	-95.12	339.47	2.82	-92.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=NN1	REAL300007899091	0	35	-2.0	-96.24	323.29	0.44	-95.80
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C1	REAL300007899093	0	38	-2.0	-103.36	337.35	3.18	-100.18
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)C1	REAL300007899094	0	41	-2.0	-102.58	349.27	4.20	-98.38
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)S1	REAL300007899095	1	38	-2.0	-104.07	348.88	4.22	-99.85
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899097	0	38	-2.0	-101.06	343.81	3.38	-97.68
O=C([O-])C1=CC(S(=O)(=O)[N-]C(CC2CCCO2)C(F)(F)F)=NN1	REAL300007899098	0	35	-2.0	-96.24	323.29	0.44	-95.80
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899099	0	38	-2.0	-122.95	324.52	4.37	-118.58
O=C([O-])C1=CC=NC=C1S(=O)(=O)[N-]C(CC1CCCO1)C(F)(F)F	REAL300007899102	1	37	-2.0	-118.92	325.77	3.28	-115.64
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCCO1	REAL300007899189	0	44	-2.0	-137.67	369.28	5.70	-131.97
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCCO1	REAL300007899193	1	38	-2.0	-96.65	343.35	3.30	-93.35
COC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCCC1	REAL300007941006	0	47	-2.0	-136.31	390.41	6.29	-130.02
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCCC1	REAL300007941010	1	41	-2.0	-95.06	361.27	3.75	-91.31
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC(F)=CC=C2OC(F)F)=C1	REAL300007941094	1	32	-2.0	-95.69	336.66	3.01	-92.68
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CCC(C3)C2)C=C1C(=O)[O-]	REAL300007941174	0	38	-2.0	-139.36	312.98	6.91	-132.45
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3=NC=CN=C3C2)C=C1C(=O)[O-]	REAL300007941283	0	36	-2.0	-139.74	329.14	4.45	-135.29
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)CC2CC2)C=C1C(=O)[O-]	REAL300007941394	0	41	-2.0	-134.87	365.88	8.81	-126.06
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCSCC3)CC2)C=C1C(=O)[O-]	REAL300007950058	0	45	-2.0	-135.43	366.66	8.13	-127.30
CCC(CC)(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007950239	1	39	-2.0	-124.19	338.33	4.66	-119.53
CCN1C=C(S(=O)(=O)[N-]CC(CC)(CC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007950380	1	41	-2.0	-136.64	352.48	5.08	-131.56
CCC(CC)(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007950433	1	39	-2.0	-123.10	337.48	3.17	-119.93
CCC(CC)(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007950436	1	39	-2.0	-130.07	330.01	4.75	-125.32
CCC(CC)(C[N-]S(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300007950485	1	37	-2.0	-111.22	306.68	1.77	-109.45
CCC(CC)(C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007950521	0	38	-2.0	-139.41	330.51	3.10	-136.31
CCC(CC)(C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007950632	1	45	-2.0	-140.01	378.21	3.17	-136.84
CCN1N=CC(S(=O)(=O)[N-]CC(CC)(CC)C(=O)[O-])=N1	REAL300007950645	1	38	-2.0	-121.51	318.55	1.07	-120.44
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007950656	1	40	-2.0	-127.87	335.69	3.81	-124.06
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C12CC1CCCC2	REAL300007959095	0	44	-2.0	-135.09	361.25	7.32	-127.77
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C12CC1CCCC2	REAL300007959099	1	38	-2.0	-96.72	333.50	5.23	-91.49
O=C([O-])C1=CC=C(S(=O)(=O)NC23CC2CCCC3)C=C1C(=O)[O-]	REAL300007959192	0	38	-2.0	-134.69	323.05	6.07	-128.62
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C23CC2CCCC3)=C1	REAL300007959195	1	32	-2.0	-97.65	297.96	3.61	-94.04
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CCC(C2)O3)C=C1C(=O)[O-]	REAL300007959283	0	36	-2.0	-135.17	308.21	4.62	-130.55
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007959318	1	36	-2.0	-127.80	313.66	2.10	-125.70
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007959343	1	36	-2.0	-100.88	321.28	3.26	-97.62
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007959348	1	35	-2.0	-126.90	317.86	2.85	-124.05
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007959386	1	36	-2.0	-128.37	317.63	3.58	-124.79
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007959389	1	36	-2.0	-127.80	313.66	2.10	-125.70
CCC(F)(F)C(C)(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007959391	0	42	-2.0	-137.28	362.77	6.43	-130.85
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007959395	0	36	-2.0	-96.41	335.94	3.80	-92.61
CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007959415	1	36	-2.0	-127.80	313.66	2.10	-125.70
CC1OC(C)C(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1C	REAL300007959511	0	41	-2.0	-135.09	359.78	4.50	-130.59
CC1OC(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C1C	REAL300007959515	1	35	-2.0	-92.89	324.42	1.82	-91.07
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007959801	0	44	-2.0	-134.92	378.01	8.79	-126.13
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C2=CC=CC=C2)=C1	REAL300007959805	1	38	-2.0	-95.88	347.28	6.52	-89.36
C=C(Cl)CC([N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007961010	1	27	-2.0	-121.75	306.10	2.40	-119.35
C=C(Cl)CC([N-]S(=O)(=O)C1=C(Cl)OC=C1)C(=O)[O-]	REAL300007961013	1	25	-2.0	-120.14	282.59	2.30	-117.84
C=C(Cl)CC([N-]S(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007961014	1	25	-2.0	-118.39	292.05	3.33	-115.06
CC1CC(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)O1	REAL300007961129	0	38	-2.0	-135.21	338.63	3.94	-131.27
CC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)O1	REAL300007961133	1	32	-2.0	-92.29	307.34	1.49	-90.80
COC1CCC(C)N(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300007961242	0	41	-2.0	-137.26	340.62	5.54	-131.72
CC1=CC=C(CCCNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)=C1	REAL300007961353	0	46	-2.0	-136.03	401.25	8.74	-127.29
CC1=CC=C(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(C)=C1	REAL300007961357	1	40	-2.0	-95.72	371.82	6.05	-89.67
C=CCCCCCCCCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007961461	0	52	-2.0	-134.18	446.41	9.82	-124.36
C=CCCCCCCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007961465	1	46	-2.0	-93.73	416.96	7.14	-86.59
O=C([O-])C1=CC=C(S(=O)(=O)N[C@@H]2CCO[C@H]2C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300007961631	0	42	-2.0	-136.97	376.66	6.31	-130.66
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2=CC=CC=C2)=C1	REAL300007961635	1	36	-2.0	-95.38	342.94	3.78	-91.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1N(C)C	REAL300007972001	1	45	-2.0	-131.95	381.44	7.77	-124.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OCCCN3N=C2)=CC2=CC=CC=C21	REAL300007972002	0	39	-2.0	-135.04	343.83	4.04	-131.00
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972004	0	46	-2.0	-128.44	382.98	7.71	-120.73
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C12	REAL300007972006	0	41	-2.0	-116.36	368.07	4.84	-111.52
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CN=C21	REAL300007972007	1	39	-2.0	-122.35	351.19	6.26	-116.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN3CCCCC3=N2)=CC2=CC=CC=C21	REAL300007972008	0	41	-2.0	-139.34	352.78	7.16	-132.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=C1F	REAL300007972009	1	41	-2.0	-124.75	356.50	7.27	-117.48
CN1N=NC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972012	0	33	-2.0	-114.21	301.24	3.55	-110.66
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=CC2=CC=CC=C21	REAL300007972020	0	37	-2.0	-124.55	343.02	7.59	-116.96
CN1C=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300007972030	0	34	-2.0	-135.49	311.68	4.67	-130.82
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C=C2)=CC2=CC=CC=C21	REAL300007972031	1	34	-2.0	-123.20	323.56	7.65	-115.55
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=CC2=CC=CC=C21	REAL300007972032	0	36	-2.0	-116.49	335.05	7.79	-108.70
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC2=CC=CC=C21	REAL300007972033	1	40	-2.0	-133.93	352.77	9.41	-124.52
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CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300007972040	1	46	-2.0	-131.77	370.88	9.88	-121.89
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CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972044	1	37	-2.0	-132.17	328.24	7.78	-124.39
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CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972048	1	39	-2.0	-128.32	347.30	7.53	-120.79
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972049	1	40	-2.0	-132.63	343.73	8.57	-124.06
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C	REAL300007972050	1	40	-2.0	-133.10	345.25	8.32	-124.78
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972052	1	46	-2.0	-130.36	383.03	9.44	-120.92
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972053	1	43	-2.0	-130.32	367.07	9.05	-121.27
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972055	1	43	-2.0	-130.39	371.22	9.34	-121.05
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972056	0	38	-2.0	-138.82	335.09	6.92	-131.90
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CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007972060	1	39	-2.0	-127.74	351.13	8.32	-119.42
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972061	0	37	-2.0	-122.82	323.04	4.96	-117.86
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O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCCCC3=C2)=CC2=CC=CC=C21	REAL300007972063	1	44	-2.0	-133.11	369.55	9.61	-123.50
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972064	0	42	-2.0	-140.56	364.57	6.20	-134.36
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1OC	REAL300007972065	1	42	-2.0	-128.20	365.56	6.32	-121.88
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CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972067	0	36	-2.0	-117.50	320.02	6.09	-111.41
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972070	1	49	-2.0	-130.21	410.29	10.63	-119.58
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=C2N=C1	REAL300007972072	0	42	-2.0	-148.09	368.18	8.41	-139.68
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972073	0	38	-2.0	-130.36	351.82	7.44	-122.92
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=CC=CN=C12	REAL300007972077	1	42	-2.0	-133.31	363.12	8.39	-124.92
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CC=C32)=CC2=CC=CC=C21	REAL300007972080	1	40	-2.0	-140.69	347.88	9.45	-131.24
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972081	1	37	-2.0	-127.92	328.72	7.96	-119.96
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NSN=C32)=CC2=CC=CC=C21	REAL300007972082	0	35	-2.0	-136.53	331.61	5.44	-131.09
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972083	0	38	-2.0	-134.44	351.82	7.44	-127.00
COC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972084	1	38	-2.0	-132.79	336.33	6.42	-126.37
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972085	1	49	-2.0	-130.25	397.26	9.91	-120.34
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1Cl	REAL300007972086	1	37	-2.0	-127.55	342.30	8.23	-119.32
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972088	1	40	-2.0	-130.35	337.06	8.84	-121.51
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972089	1	37	-2.0	-131.46	322.32	7.89	-123.57
CC1=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CN1C	REAL300007972090	0	37	-2.0	-139.40	330.36	6.02	-133.38
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O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=CN=C32)=CC2=CC=CC=C21	REAL300007972093	0	39	-2.0	-148.22	346.77	7.77	-140.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1F	REAL300007972094	1	38	-2.0	-125.34	342.54	6.49	-118.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1F	REAL300007972095	1	37	-2.0	-127.27	333.55	7.83	-119.44
CN1C=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972097	0	34	-2.0	-137.83	310.85	6.22	-131.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CN=C2)=CC2=CC=CC=C21	REAL300007972098	0	33	-2.0	-126.03	301.82	5.33	-120.70
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972102	0	39	-2.0	-116.81	350.54	8.56	-108.25
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972103	1	39	-2.0	-123.87	344.88	8.38	-115.49
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972104	1	46	-2.0	-130.78	387.98	9.80	-120.98
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972105	1	44	-2.0	-129.19	383.40	7.63	-121.56
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972107	1	37	-2.0	-127.63	339.05	8.41	-119.22
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1Cl	REAL300007972111	1	38	-2.0	-125.68	352.35	6.98	-118.70
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300007972116	0	36	-2.0	-125.78	332.06	5.71	-120.07
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC3=CC=CC=C32)=CC2=CC=CC=C21	REAL300007972117	0	37	-2.0	-132.44	343.40	8.49	-123.95
COC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1F	REAL300007972119	1	38	-2.0	-121.62	342.55	6.49	-115.13
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CSC=C2)=CC2=CC=CC=C21	REAL300007972120	0	31	-2.0	-126.31	297.93	6.04	-120.27
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972122	0	42	-2.0	-148.73	368.10	8.42	-140.31
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CN1C	REAL300007972123	0	42	-2.0	-127.07	370.68	4.78	-122.29
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=CC=CN=C2C=C1	REAL300007972126	1	42	-2.0	-130.65	356.80	8.50	-122.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CN=CC=C32)=CC2=CC=CC=C21	REAL300007972127	1	39	-2.0	-137.61	343.20	7.66	-129.95
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300007972128	0	39	-2.0	-131.73	357.15	7.95	-123.78
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972129	1	42	-2.0	-141.71	369.91	8.40	-133.31
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3NC=CC=C23)=CC2=CC=CC=C21	REAL300007972131	0	37	-2.0	-152.33	335.03	6.34	-145.99
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972135	0	44	-2.0	-141.00	378.36	8.51	-132.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)=CC2=CC=CC=C21	REAL300007972136	1	39	-2.0	-140.67	355.11	7.30	-133.37
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O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2CCCC3)=CC2=CC=CC=C21	REAL300007972139	1	44	-2.0	-136.25	362.16	9.75	-126.50
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3COCC3=C2)=CC2=CC=CC=C21	REAL300007972140	1	39	-2.0	-128.56	342.80	6.42	-122.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2OC(F)F)=CC2=CC=CC=C21	REAL300007972145	0	38	-2.0	-132.99	344.85	7.17	-125.82
CSC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972146	1	38	-2.0	-127.92	347.03	8.14	-119.78
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)N=C1C	REAL300007972149	0	40	-2.0	-139.40	352.38	6.92	-132.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCO3)=CC2=CC=CC=C21	REAL300007972150	0	40	-2.0	-136.88	349.97	6.76	-130.12
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=NC=CC=C23)=CC2=CC=CC=C21	REAL300007972151	1	39	-2.0	-132.02	343.00	7.56	-124.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=CC2=CC=CC=C21	REAL300007972154	1	43	-2.0	-129.26	371.66	8.73	-120.53
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C12	REAL300007972155	1	42	-2.0	-122.12	373.15	6.85	-115.27
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972157	1	41	-2.0	-133.49	361.90	6.84	-126.65
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=C2O1	REAL300007972158	0	45	-2.0	-144.53	384.67	8.36	-136.17
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300007972159	0	37	-2.0	-125.51	332.92	5.69	-119.82
CN1N=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972162	0	34	-2.0	-119.72	307.07	4.76	-114.96
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972165	1	46	-2.0	-132.64	371.61	10.35	-122.29
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300007972169	0	37	-2.0	-125.82	345.47	5.97	-119.85
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C(C)O1	REAL300007972170	0	37	-2.0	-128.33	329.81	6.72	-121.61
CC1=CSC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972171	0	34	-2.0	-128.65	320.40	6.79	-121.86
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)=CC2=CC=CC=C21	REAL300007972172	0	37	-2.0	-131.27	336.60	7.53	-123.74
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCOC3=C2)=CC2=CC=CC=C21	REAL300007972173	1	37	-2.0	-125.57	332.87	5.78	-119.79
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300007972174	0	37	-2.0	-121.60	334.01	3.81	-117.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CO2)=CC2=CC=CC=C21	REAL300007972175	0	31	-2.0	-127.46	289.52	5.12	-122.34
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCN23)=CC2=CC=CC=C21	REAL300007972176	0	38	-2.0	-130.93	334.82	6.57	-124.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC=C2)=CC2=CC=CC=C21	REAL300007972177	0	31	-2.0	-126.02	289.37	5.01	-121.01
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)SC=C1	REAL300007972178	0	34	-2.0	-132.03	317.57	6.77	-125.26
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC=N2)=CC2=CC=CC=C21	REAL300007972183	0	31	-2.0	-135.53	288.14	4.52	-131.01
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300007972184	0	39	-2.0	-117.29	351.13	8.31	-108.98
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972187	0	37	-2.0	-126.18	330.22	5.48	-120.70
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)O1	REAL300007972188	0	34	-2.0	-128.76	311.44	5.94	-122.82
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)N(C)N=C1	REAL300007972189	0	37	-2.0	-120.69	323.72	5.60	-115.09
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CSC3=C2)=CC2=CC=CC=C21	REAL300007972190	0	36	-2.0	-126.28	338.82	6.62	-119.66
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C2C=C1	REAL300007972193	1	43	-2.0	-133.44	374.12	10.06	-123.38
COC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)SC=C1	REAL300007972194	0	35	-2.0	-140.87	329.00	5.42	-135.45
CN(C)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972196	1	42	-2.0	-134.11	358.34	7.51	-126.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCC3)=CC2=CC=CC=C21	REAL300007972198	0	39	-2.0	-141.60	343.14	6.96	-134.64
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCOC3=C2)=CC2=CC=CC=C21	REAL300007972200	1	39	-2.0	-133.14	342.63	6.98	-126.16
CN1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C21	REAL300007972202	1	46	-2.0	-134.69	381.05	7.67	-127.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)=CC2=CC=CC=C21	REAL300007972203	0	36	-2.0	-116.85	341.55	6.37	-110.48
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972204	0	42	-2.0	-145.58	360.81	7.64	-137.94
COC1=CN=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972206	0	37	-2.0	-125.64	331.41	4.60	-121.04
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300007972207	0	43	-2.0	-130.23	379.83	8.77	-121.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)C=C2)=CC2=CC=CC=C21	REAL300007972208	1	41	-2.0	-130.41	356.06	9.22	-121.19
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972209	1	42	-2.0	-133.30	365.82	5.73	-127.57
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC3=CC=CC=C3C(C(=O)[O-])=C1)OCO2	REAL300007972212	1	40	-2.0	-126.54	348.33	6.56	-119.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3OC=CC3=CC=C2)=CC2=CC=CC=C21	REAL300007972213	0	37	-2.0	-140.23	334.76	7.45	-132.78
COC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1Cl	REAL300007972214	1	38	-2.0	-122.61	352.36	6.98	-115.63
CN1C=NC2=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C21	REAL300007972216	1	40	-2.0	-138.77	355.10	8.48	-130.29
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=NC=CC=C2C=C1	REAL300007972218	0	42	-2.0	-148.44	360.46	8.89	-139.55
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=C2O1	REAL300007972219	1	39	-2.0	-126.67	350.48	4.80	-121.87
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1CC	REAL300007972220	1	46	-2.0	-132.93	383.88	9.69	-123.24
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972221	0	44	-2.0	-138.31	370.37	8.89	-129.42
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972222	0	37	-2.0	-130.88	339.05	7.49	-123.39
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972223	0	35	-2.0	-119.55	329.06	4.95	-114.60
CC1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300007972224	0	33	-2.0	-125.09	315.36	4.96	-120.13
CCC1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300007972225	0	36	-2.0	-124.74	336.85	5.71	-119.03
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(N)=NO1	REAL300007972226	0	35	-2.0	-116.56	313.27	4.53	-112.03
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300007972227	1	41	-2.0	-128.81	356.18	6.84	-121.97
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300007972228	0	37	-2.0	-132.46	338.28	7.67	-124.79
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)=CC2=CC=CC=C21	REAL300007972229	0	40	-2.0	-142.44	356.12	9.13	-133.31
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCO3)=CC2=CC=CC=C21	REAL300007972230	0	37	-2.0	-135.41	333.44	5.76	-129.65
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC(C)=C1F	REAL300007972231	1	40	-2.0	-123.95	353.86	8.46	-115.49
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)=CC2=CC=CC=C21	REAL300007972232	1	41	-2.0	-135.79	362.83	6.88	-128.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC(F)=C23)=CC2=CC=CC=C21	REAL300007972234	0	38	-2.0	-143.39	345.22	7.21	-136.18
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C3N=CSC3=CC=C2)=CC2=CC=CC=C21	REAL300007972235	0	36	-2.0	-141.81	338.03	6.54	-135.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300007972236	0	36	-2.0	-126.55	323.43	5.95	-120.60
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=C1Cl	REAL300007972240	1	37	-2.0	-124.22	342.29	8.21	-116.01
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)=CC2=CC=CC=C21	REAL300007972241	1	40	-2.0	-140.02	354.93	8.11	-131.91
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCC3)=CC2=CC=CC=C21	REAL300007972242	0	42	-2.0	-141.93	359.03	8.34	-133.59
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=C2OCCCO3)=CC2=CC=CC=C21	REAL300007972243	0	43	-2.0	-137.67	368.54	7.48	-130.19
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972246	1	47	-2.0	-133.49	396.87	8.78	-124.71
CCC1=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CN1CC1CC1	REAL300007972251	0	47	-2.0	-140.30	400.95	8.91	-131.39
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C(C3CC3)S2)=CC2=CC=CC=C21	REAL300007972252	0	37	-2.0	-125.65	346.58	6.63	-119.02
CN1N=CC(C2CC2)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972253	0	41	-2.0	-124.21	353.39	7.03	-117.18
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972254	0	37	-2.0	-112.89	348.44	5.75	-107.14
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300007972256	0	36	-2.0	-142.19	333.90	6.12	-136.07
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=CC=CC=C2C=C1	REAL300007972257	1	43	-2.0	-139.59	361.94	10.40	-129.19
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300007972258	0	43	-2.0	-122.15	376.00	5.67	-116.48
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972259	0	38	-2.0	-130.12	339.60	7.27	-122.85
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972260	0	44	-2.0	-125.17	367.82	7.25	-117.92
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C(C)(C)C)=N1	REAL300007972261	0	46	-2.0	-124.82	375.26	7.74	-117.08
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCC3)N=C2)=CC2=CC=CC=C21	REAL300007972262	0	44	-2.0	-125.78	374.26	7.48	-118.30
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972263	0	37	-2.0	-117.78	340.13	6.08	-111.70
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300007972265	1	44	-2.0	-130.23	384.03	9.90	-120.33
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972266	0	40	-2.0	-126.43	349.68	6.28	-120.15
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972268	1	40	-2.0	-122.66	353.70	9.31	-113.35
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972271	1	43	-2.0	-131.28	358.56	9.63	-121.65
COC1=NC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972272	0	37	-2.0	-133.67	332.79	4.31	-129.36
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC3=CC=NC=C32)=CC2=CC=CC=C21	REAL300007972273	1	39	-2.0	-139.26	343.08	7.63	-131.63
CC1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)N1C	REAL300007972274	0	37	-2.0	-125.33	325.99	6.18	-119.15
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=N2)=CC2=CC=CC=C21	REAL300007972275	0	33	-2.0	-135.19	302.67	5.24	-129.95
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972276	0	37	-2.0	-125.44	329.81	7.83	-117.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCC3)N=C2)=CC2=CC=CC=C21	REAL300007972277	0	41	-2.0	-125.74	356.73	6.81	-118.93
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2CCC2)=CC2=CC=CC=C21	REAL300007972278	0	41	-2.0	-123.07	354.12	7.01	-116.06
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CCC2)=CC2=CC=CC=C21	REAL300007972279	0	44	-2.0	-122.73	376.04	7.76	-114.97
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3CCCCN23)=CC2=CC=CC=C21	REAL300007972280	0	41	-2.0	-130.04	351.22	7.15	-122.89
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=C2O1	REAL300007972281	0	42	-2.0	-143.10	364.14	7.72	-135.38
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300007972282	0	42	-2.0	-125.89	375.51	6.79	-119.10
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972283	0	39	-2.0	-144.13	348.57	6.72	-137.41
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972284	0	36	-2.0	-115.56	323.05	4.42	-111.14
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=NON=C3C=C2)=CC2=CC=CC=C21	REAL300007972286	1	35	-2.0	-116.75	321.71	5.92	-110.83
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3S2)=CC2=CC=CC=C21	REAL300007972287	0	37	-2.0	-131.97	345.69	8.56	-123.41
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972288	0	41	-2.0	-120.95	357.76	6.91	-114.04
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=C1F	REAL300007972289	1	43	-2.0	-125.92	362.63	9.48	-116.44
COC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1OC	REAL300007972290	0	42	-2.0	-135.65	362.56	7.05	-128.60
O=C([O-])C1=CC([N-]S(=O)(=O)C2=COC3=CC=CC=C32)=CC2=CC=CC=C21	REAL300007972291	0	37	-2.0	-131.61	336.60	7.42	-124.19
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C2CCCC2)=N1	REAL300007972292	0	47	-2.0	-130.69	395.62	8.04	-122.65
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972293	0	46	-2.0	-127.64	386.00	7.73	-119.91
CCCCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=N1	REAL300007972294	0	46	-2.0	-125.96	394.75	7.89	-118.07
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300007972295	0	41	-2.0	-129.52	362.13	7.07	-122.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=CC2=CC=CC=C21	REAL300007972296	1	38	-2.0	-128.98	346.07	6.71	-122.27
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=CC=C21	REAL300007972297	0	39	-2.0	-147.35	351.38	5.53	-141.82
CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C2CCC2)=N1	REAL300007972299	0	44	-2.0	-129.98	378.35	7.52	-122.46
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=CC2=CC=CC=C21	REAL300007972300	0	44	-2.0	-125.79	380.81	7.77	-118.02
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=CC2=CC=CC=C21	REAL300007972301	0	38	-2.0	-134.36	343.57	8.32	-126.04
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972302	1	43	-2.0	-132.81	371.22	9.33	-123.48
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972303	0	41	-2.0	-125.60	351.51	6.71	-118.89
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972305	1	40	-2.0	-129.77	336.62	8.80	-120.97
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972306	0	43	-2.0	-119.41	353.89	7.03	-112.38
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300007972307	0	43	-2.0	-126.64	371.33	6.84	-119.80
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CC1=NN(C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972309	0	37	-2.0	-120.70	329.01	5.35	-115.35
CC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1C	REAL300007972310	1	40	-2.0	-132.32	339.33	8.43	-123.89
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972311	1	45	-2.0	-141.10	391.41	9.16	-131.94
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COC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=CS1	REAL300007972318	0	35	-2.0	-134.72	329.07	5.57	-129.15
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CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972320	0	43	-2.0	-122.79	366.79	7.03	-115.76
CCC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)O1	REAL300007972322	0	37	-2.0	-128.89	332.92	6.72	-122.17
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972324	1	40	-2.0	-129.33	360.05	8.65	-120.68
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COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)S1	REAL300007972326	0	35	-2.0	-126.01	330.63	5.58	-120.43
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CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972328	1	44	-2.0	-133.79	383.75	7.81	-125.98
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN(C3CCCCC3)N=C2)=CC2=CC=CC=C21	REAL300007972329	0	47	-2.0	-125.37	393.24	8.08	-117.29
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CC1=CN=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972331	0	36	-2.0	-126.52	323.28	5.99	-120.53
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300007972332	1	43	-2.0	-141.46	365.61	9.98	-131.48
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=CC2=CC=CC=C21	REAL300007972337	0	37	-2.0	-131.56	332.32	7.52	-124.04
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=CC2=CC=CC=C21	REAL300007972339	1	36	-2.0	-131.08	337.77	6.52	-124.56
CCN1N=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=N1	REAL300007972353	0	36	-2.0	-125.32	327.54	4.00	-121.32
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=CC2=CC=CC=C21	REAL300007972355	0	38	-2.0	-130.20	350.65	8.44	-121.76
CO[C@@H]1COC[C@@H]1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972357	0	39	-2.0	-131.10	334.56	4.09	-127.01
CC1=COC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972358	0	34	-2.0	-127.90	311.42	5.79	-122.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)O1	REAL300007972359	0	34	-2.0	-128.76	311.44	5.94	-122.82
CCC1=NNC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972360	0	37	-2.0	-123.12	326.72	4.98	-118.14
COC1=CSC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1OC	REAL300007972361	0	39	-2.0	-133.03	359.80	5.14	-127.89
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(F)=C1	REAL300007972364	0	38	-2.0	-133.54	344.82	6.71	-126.83
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972365	0	40	-2.0	-126.26	351.25	7.08	-119.18
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC4=CC=CC=C4C(C(=O)[O-])=C3)=CC=C21	REAL300007972366	1	41	-2.0	-137.34	360.54	8.90	-128.44
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972367	0	40	-2.0	-144.02	344.68	8.96	-135.06
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972368	1	45	-2.0	-133.78	390.50	8.74	-125.04
CCN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300007972369	0	44	-2.0	-129.86	383.66	7.93	-121.93
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=NSN=C2C=C1	REAL300007972370	0	38	-2.0	-138.07	345.06	6.47	-131.60
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972371	0	47	-2.0	-124.85	393.60	8.33	-116.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=C(Cl)OC=C2)=CC2=CC=CC=C21	REAL300007972372	0	31	-2.0	-124.80	305.61	5.64	-119.16
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(Cl)=CS2)=CC2=CC=CC=C21	REAL300007972373	0	31	-2.0	-122.70	315.64	6.64	-116.06
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972374	0	42	-2.0	-121.82	359.12	4.87	-116.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=CC2=CC=CC=C21	REAL300007972375	1	41	-2.0	-136.12	350.39	9.29	-126.83
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972377	0	37	-2.0	-127.20	349.53	4.81	-122.39
COC1=NC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1C	REAL300007972378	0	40	-2.0	-122.74	354.15	4.54	-118.20
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=N1	REAL300007972379	0	43	-2.0	-125.22	369.78	7.28	-117.94
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972380	0	43	-2.0	-126.73	370.44	6.86	-119.87
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)N=C1	REAL300007972383	0	45	-2.0	-133.66	379.24	7.53	-126.13
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972384	0	40	-2.0	-121.82	348.56	6.39	-115.43
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=CC2=CC=CC=C21	REAL300007972385	0	41	-2.0	-121.20	359.05	7.25	-113.95
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=CC2=CC=CC=C21	REAL300007972386	0	41	-2.0	-126.90	360.70	8.29	-118.61
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=C(C(F)F)C=N2)=CC2=CC=CC=C21	REAL300007972387	0	36	-2.0	-130.25	335.03	6.07	-124.18
CC1=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=NN1C(C)C	REAL300007972389	0	43	-2.0	-128.40	371.33	6.88	-121.52
O=C([O-])C1=CC([N-]S(=O)(=O)C2=NC=CC3=CC=CC=C32)=CC2=CC=CC=C21	REAL300007972390	0	39	-2.0	-142.75	343.43	7.64	-135.11
CC1=CN=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C(C)=C1	REAL300007972391	0	39	-2.0	-135.73	339.33	6.73	-129.00
CC1=CN=CC=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972392	1	36	-2.0	-123.88	317.40	6.11	-117.77
COC1=CC=NC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972396	0	37	-2.0	-134.85	332.41	4.55	-130.30
COC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)N=C1	REAL300007972398	0	37	-2.0	-131.32	332.25	4.50	-126.82
CC1=CC=CN=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972399	0	36	-2.0	-134.97	317.82	6.03	-128.94
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC=NC3=CC=CC=C32)=CC2=CC=CC=C21	REAL300007972400	0	39	-2.0	-130.37	343.47	7.53	-122.84
CCOC1=CC=CN=C1S(=O)(=O)[N-]C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300007972401	0	40	-2.0	-144.78	351.74	6.43	-138.35
CC1=CC=C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C2=NC=CC=C12	REAL300007972402	0	42	-2.0	-148.72	364.56	8.30	-140.42
CC1=CC(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=CC=N1	REAL300007972403	1	36	-2.0	-123.78	323.62	5.97	-117.81
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CNC3=CC=CC=C32)=CC2=CC=CC=C21	REAL300007972404	0	38	-2.0	-137.14	340.57	7.09	-130.05
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CN=CS2)=CC2=CC=CC=C21	REAL300007972406	0	30	-2.0	-123.69	293.42	4.24	-119.45
O=C([O-])C1=CC([N-]S(=O)(=O)C2=CC(C(F)F)=CC=N2)=CC2=CC=CC=C21	REAL300007972407	0	36	-2.0	-132.92	335.18	6.13	-126.79
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC3=CC=CC=C3C(C(=O)[O-])=C2)=C1	REAL300007972408	0	47	-2.0	-141.83	396.27	9.13	-132.70
CC1CC(C)(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCO1	REAL300007972547	0	41	-2.0	-134.74	336.90	4.32	-130.42
CC1CC(C)([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCO1	REAL300007972551	1	35	-2.0	-92.51	315.39	2.40	-90.11
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CCCCO3)CC2)C=C1C(=O)[O-]	REAL300007974096	0	45	-2.0	-134.60	366.50	6.75	-127.85
CCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1CCCOC1	REAL300007974214	0	44	-2.0	-136.74	367.60	5.22	-131.52
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1CCCOC1	REAL300007974218	1	38	-2.0	-92.91	339.66	3.03	-89.88
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C=C1C(=O)[O-]	REAL300007974331	0	42	-2.0	-135.82	362.55	9.04	-126.78
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3(CC2)COCCO3)C=C1C(=O)[O-]	REAL300007974446	0	43	-2.0	-136.35	359.61	5.05	-131.30
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=CC=NS2)C=C1C(=O)[O-]	REAL300007979009	0	33	-2.0	-139.11	327.81	4.64	-134.47
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=NS2)=C1	REAL300007979013	1	27	-2.0	-92.53	298.37	1.94	-90.59
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)(C)C1	REAL300007979160	0	40	-2.0	-136.13	336.46	6.97	-129.16
CC1(C)CCC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)OC1	REAL300007979269	0	44	-2.0	-134.04	373.47	5.26	-128.78
CC1(C)CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)OC1	REAL300007979273	1	38	-2.0	-98.61	344.01	2.58	-96.03
CC1(CC2CCCC2)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007981101	0	50	-2.0	-135.92	389.54	9.28	-126.64
O=C([O-])C(CC1CCOCC1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007981337	1	41	-2.0	-125.93	352.25	5.25	-120.68
CCN1C=C(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007981471	1	43	-2.0	-140.05	368.87	4.81	-135.24
CN1C=C(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007981520	1	41	-2.0	-131.36	365.13	2.44	-128.92
O=C([O-])C(CC1CCOCC1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007981523	1	41	-2.0	-132.50	345.84	5.18	-127.32
CC1=C(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])C(N)=NO1	REAL300007981578	1	39	-2.0	-119.82	324.45	2.10	-117.72
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])=N1	REAL300007981610	0	40	-2.0	-147.19	344.43	3.44	-143.75
CC1=NC(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007981713	1	47	-2.0	-144.03	394.06	3.69	-140.34
CCN1N=CC(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])=N1	REAL300007981725	1	40	-2.0	-128.95	338.86	1.57	-127.38
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2CCOCC2)C(=O)[O-])C(F)=C1	REAL300007981736	1	42	-2.0	-137.51	356.00	4.27	-133.24
C[C@@H]([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(C(F)(F)F)N=C1	REAL300007991327	1	32	-2.0	-116.29	320.41	3.06	-113.23