CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(F)=C1	REAL300008000362	1	42	-2.0	-116.04	374.65	1.79	-114.25
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300008000406	0	43	-2.0	-108.91	384.70	0.77	-108.14
O=C([O-])[C@@H]1C[C@@H]1C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008000420	1	31	-2.0	-116.33	298.80	3.72	-112.61
CCN1C=C(S(=O)(=O)[N-]C[C@H]2C[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008000536	1	33	-2.0	-124.59	312.94	4.14	-120.45
CN1C=C(S(=O)(=O)[N-]C[C@H]2C[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300008000585	1	31	-2.0	-118.81	301.24	2.10	-116.71
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C[C@H]2C[C@H]2C(=O)[O-])=N1	REAL300008000644	0	30	-2.0	-133.60	287.99	2.17	-131.43
CC1=NC(S(=O)(=O)[N-]C[C@H]2C[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008000728	1	37	-2.0	-132.33	337.07	2.15	-130.18
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@H]2C[C@H]2C(=O)[O-])C(F)=C1	REAL300008000743	1	32	-2.0	-125.22	298.88	2.76	-122.46
C[C@@H]([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008000896	1	32	-2.0	-112.12	314.03	4.50	-107.62
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008000936	0	39	-2.0	-137.28	363.76	7.32	-129.96
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(OC)=C1	REAL300008002289	1	42	-2.0	-93.58	376.46	0.66	-92.92
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC[C@H](F)C(=O)[O-])C(F)=C1	REAL300008002320	1	38	-2.0	-92.11	353.86	0.58	-91.53
CC1=C(S(=O)(=O)[N-]C[C@H](F)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300008002339	1	30	-2.0	-108.50	293.23	3.26	-105.24
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC[C@H](F)C(=O)[O-]	REAL300008002362	0	39	-2.0	-105.56	351.81	-0.42	-105.98
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008002375	1	27	-2.0	-107.20	276.29	2.42	-104.78
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300008002434	1	29	-2.0	-112.32	297.72	4.56	-107.76
CCN1C=C(S(=O)(=O)[N-]C[C@H](F)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008002478	0	29	-2.0	-116.39	290.84	2.84	-113.55
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300008002507	1	30	-2.0	-113.44	312.94	2.70	-110.74
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300008002522	1	30	-2.0	-117.29	306.55	2.63	-114.66
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300008002523	1	30	-2.0	-113.30	323.26	3.15	-110.15
CN1C=C(S(=O)(=O)[N-]C[C@H](F)C(=O)[O-])C(C(F)(F)F)=N1	REAL300008002525	0	27	-2.0	-110.54	280.51	0.86	-109.68
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300008002600	1	30	-2.0	-110.58	307.36	2.86	-107.72
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C[C@H](F)C(=O)[O-])S1	REAL300008002606	1	32	-2.0	-108.47	309.19	1.62	-106.85
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300008002607	1	30	-2.0	-118.09	293.79	2.58	-115.51
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C[C@H](F)C(=O)[O-]	REAL300008002608	1	29	-2.0	-126.90	282.27	1.54	-125.36
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)CC1=NOC2=C1COCC2	REAL300008002631	1	31	-2.0	-115.08	293.75	0.33	-114.75
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300008002633	1	24	-2.0	-111.19	260.53	2.39	-108.80
CC1=NC(S(=O)(=O)[N-]C[C@H](F)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008002653	1	33	-2.0	-119.03	314.42	1.15	-117.88
COC1=CSC(S(=O)(=O)[N-]C[C@H](F)C(=O)[O-])=C1OC	REAL300008002660	1	29	-2.0	-112.08	293.99	0.63	-111.45
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@H](F)C(=O)[O-])C(F)=C1	REAL300008002663	0	28	-2.0	-114.87	278.49	1.54	-113.33
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300008002671	1	25	-2.0	-112.57	282.02	0.75	-111.82
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300008002677	1	23	-2.0	-107.99	267.45	-0.06	-108.05
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C[C@H](F)C(=O)[O-]	REAL300008002685	1	27	-2.0	-109.73	282.81	-0.35	-110.08
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300008002687	1	29	-2.0	-108.55	294.62	4.27	-104.28
C[C@H]([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C([N+](=O)[O-])C=C1	REAL300008002810	1	32	-2.0	-112.23	314.03	4.54	-107.69
C[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300008002850	0	39	-2.0	-136.96	365.78	7.38	-129.58
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300008004747	1	34	-2.0	-104.46	317.12	4.33	-100.13
CCN1C=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300008004876	1	36	-2.0	-121.30	329.40	4.80	-116.50
CN1C=C(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300008004927	1	34	-2.0	-113.69	317.73	2.78	-110.91
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300008004928	1	34	-2.0	-110.74	310.71	4.26	-106.48
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](COC)C(=O)[O-])C(F)=C1	REAL300008006217	1	42	-2.0	-107.96	374.29	-0.44	-108.40
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](COC)C(=O)[O-]	REAL300008006262	0	43	-2.0	-122.06	386.75	-1.45	-123.51
COC[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008006277	1	31	-2.0	-131.83	297.14	2.12	-129.71
CCN1C=C(S(=O)(=O)[N-][C@@H](COC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008006394	1	33	-2.0	-138.53	307.87	2.36	-136.17
COC[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008006438	1	31	-2.0	-131.03	296.79	0.45	-130.58
COC[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006501	0	30	-2.0	-151.05	289.32	0.58	-150.47
COC[C@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008006595	1	37	-2.0	-142.76	341.85	0.03	-142.73
COC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008006612	1	32	-2.0	-138.09	297.12	1.26	-136.83
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C(OC)=C1	REAL300008006706	1	45	-2.0	-106.88	381.30	1.36	-105.52
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C(F)=C1	REAL300008006735	1	41	-2.0	-105.40	362.49	1.21	-104.19
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300008006775	0	42	-2.0	-118.89	375.04	0.20	-118.69
CC[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008006788	1	30	-2.0	-128.81	284.97	3.81	-125.00
CC[C@H]([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300008006878	1	32	-2.0	-137.01	297.42	4.04	-132.97
CC[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008006915	1	30	-2.0	-128.04	284.46	2.15	-125.89
CC(C)(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)CC(=O)[O-]	REAL300008011800	1	36	-2.0	-99.63	320.13	4.20	-95.43
CCN1C=C(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300008011932	1	38	-2.0	-107.95	334.28	4.61	-103.34
CN1C=C(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])C(C(F)(F)F)=N1	REAL300008011983	1	36	-2.0	-102.68	322.60	2.58	-100.10
CC(C)(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)CC(=O)[O-]	REAL300008011984	1	36	-2.0	-105.50	313.72	4.13	-101.37
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300008020303	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-]	REAL300008020346	0	43	-2.0	-117.55	372.33	1.52	-116.03
CC(C)OC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CCOC1	REAL300008020790	0	45	-2.0	-133.78	374.82	4.16	-129.62
CC(C)OC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CCOC1	REAL300008020794	1	39	-2.0	-97.04	355.61	0.96	-96.08
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC23CCC3)C=C1C(=O)[O-]	REAL300008020957	0	38	-2.0	-138.71	320.07	6.87	-131.84
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(F)=C1	REAL300008021477	1	42	-2.0	-104.84	374.34	2.31	-102.53
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300008021521	0	43	-2.0	-107.88	377.99	0.98	-106.90
O=C([O-])[C@@H]1CC[C@@H]1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008021535	1	31	-2.0	-117.90	291.68	4.09	-113.81
CCN1C=C(S(=O)(=O)[N-][C@H]2CC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008021651	1	33	-2.0	-127.57	305.85	4.50	-123.07
CN1C=C(S(=O)(=O)[N-][C@H]2CC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300008021700	1	31	-2.0	-119.59	294.44	2.46	-117.13
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2CC[C@H]2C(=O)[O-])=N1	REAL300008021759	0	30	-2.0	-129.81	282.30	2.59	-127.22
CC1=NC(S(=O)(=O)[N-][C@H]2CC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008021843	1	37	-2.0	-130.66	329.58	2.80	-127.86
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CC[C@H]2C(=O)[O-])C(F)=C1	REAL300008021858	1	32	-2.0	-122.48	293.19	3.20	-119.28
CCCC(NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300008021995	1	44	-2.0	-97.52	396.11	2.32	-95.20
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300008022515	1	44	-2.0	-106.95	392.39	2.16	-104.79
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300008022559	0	45	-2.0	-118.50	385.16	0.65	-117.85
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008022574	1	33	-2.0	-127.51	299.10	4.27	-123.24
CCN1C=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300008022693	1	35	-2.0	-132.66	313.24	4.70	-127.96
CC(C)[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008022742	1	33	-2.0	-126.01	299.20	2.76	-123.25
CC(C)[C@@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022807	0	32	-2.0	-147.92	290.85	2.58	-145.34
CC1=NC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300008022899	1	39	-2.0	-146.50	338.63	2.90	-143.60
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300008022915	1	34	-2.0	-135.60	298.54	3.47	-132.13
CCC[C@@H](NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300008038340	1	44	-2.0	-99.30	396.16	2.34	-96.96
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300008038383	0	45	-2.0	-120.05	397.57	1.01	-119.04
CCC[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008038398	1	33	-2.0	-126.94	304.51	4.65	-122.29
CCC[C@@H]([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300008038510	1	35	-2.0	-132.03	318.65	5.07	-126.96
CCC[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008038553	1	33	-2.0	-127.12	306.97	3.03	-124.09
CCC[C@@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008038614	0	32	-2.0	-149.92	298.61	2.79	-147.13
CCC[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008038703	1	39	-2.0	-146.82	344.46	3.16	-143.66
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008038719	1	34	-2.0	-138.42	308.23	3.68	-134.74
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C2OCCC2=C1	REAL300008038844	0	42	-2.0	-136.13	371.46	6.51	-129.62
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(F)=C1	REAL300008043879	1	42	-2.0	-108.50	374.00	2.56	-105.94
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300008043923	0	43	-2.0	-120.57	369.31	1.28	-119.29
C=CCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008053194	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-]	REAL300008053316	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-]	REAL300008053361	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-]	REAL300008053362	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-]	REAL300008053433	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-]	REAL300008053538	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-]	REAL300008053557	1	35	-2.0	-138.08	321.05	4.25	-133.83
O=C([O-])C(CC1=NC=CS1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008053738	1	33	-2.0	-128.97	335.23	3.27	-125.70
CCN1C=C(S(=O)(=O)[N-]C(CC2=NC=CS2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008053864	1	35	-2.0	-139.93	342.63	4.10	-135.83
CN1C=C(S(=O)(=O)[N-]C(CC2=NC=CS2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300008053910	1	33	-2.0	-133.32	333.94	2.28	-131.04
O=C([O-])C(CC1=NC=CS1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008053913	1	33	-2.0	-136.73	328.81	3.20	-133.53
CC1=C(S(=O)(=O)[N-]C(CC2=NC=CS2)C(=O)[O-])C(N)=NO1	REAL300008053963	1	31	-2.0	-119.64	298.45	0.85	-118.79
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2=NC=CS2)C(=O)[O-])=N1	REAL300008053991	0	32	-2.0	-147.08	321.08	2.41	-144.67
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300008066737	0	34	-2.0	-123.12	294.45	5.25	-117.87
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(F)=C2)CC1	REAL300008066738	0	34	-2.0	-122.03	300.86	5.32	-116.71
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066739	0	39	-2.0	-130.52	337.23	5.73	-124.79
CCCCN(C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066740	0	41	-2.0	-123.23	335.05	4.86	-118.37
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CS2)CC1	REAL300008066741	0	31	-2.0	-122.06	286.37	4.26	-117.80
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066742	0	46	-2.0	-122.79	373.13	7.84	-114.95
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008066743	0	34	-2.0	-122.53	307.35	5.03	-117.50
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)S2)CC1	REAL300008066744	0	31	-2.0	-118.89	302.51	4.85	-114.04
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066745	0	41	-2.0	-126.15	338.28	5.77	-120.38
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CC1	REAL300008066746	0	38	-2.0	-125.65	333.36	5.58	-120.07
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CCOCC2)CC1	REAL300008066747	0	37	-2.0	-120.62	303.35	1.98	-118.64
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066748	0	40	-2.0	-132.73	355.16	2.77	-129.96
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300008066749	0	38	-2.0	-120.86	340.45	5.04	-115.82
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300008066750	0	45	-2.0	-123.19	356.86	4.76	-118.43
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066751	0	37	-2.0	-119.87	314.89	6.06	-113.81
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008066752	0	34	-2.0	-124.98	299.00	2.97	-122.01
CCN(CC)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066753	0	38	-2.0	-121.32	310.69	4.08	-117.24
CN(C1CCCCC1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066754	0	45	-2.0	-122.74	347.80	5.59	-117.15
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066755	0	40	-2.0	-124.74	329.20	4.25	-120.49
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CC1	REAL300008066756	0	50	-2.0	-122.41	395.37	9.04	-113.37
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)CC1	REAL300008066757	0	40	-2.0	-125.37	338.95	4.41	-120.96
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066758	0	40	-2.0	-122.78	337.35	6.69	-116.09
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2Br)CC1	REAL300008066759	0	34	-2.0	-125.48	300.33	5.51	-119.97
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Br)=C2)CC1	REAL300008066760	0	34	-2.0	-121.59	315.75	5.87	-115.72
CC1=NNC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066761	0	34	-2.0	-123.04	289.64	2.11	-120.93
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066762	0	39	-2.0	-128.01	322.46	7.24	-120.77
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)CC1	REAL300008066763	0	40	-2.0	-124.55	356.48	7.28	-117.27
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066764	0	44	-2.0	-130.52	378.44	1.79	-128.73
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066765	0	45	-2.0	-123.33	376.14	7.07	-116.26
CC1=CC(F)=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066766	0	37	-2.0	-121.35	321.34	5.97	-115.38
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2CC2)CC1	REAL300008066767	0	37	-2.0	-123.41	311.44	5.31	-118.10
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)CC1	REAL300008066768	0	40	-2.0	-124.36	340.14	5.77	-118.59
COCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066769	0	41	-2.0	-122.92	348.59	4.96	-117.96
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008066770	0	40	-2.0	-121.90	343.47	2.87	-119.03
CS(=O)(=O)CCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066771	0	39	-2.0	-134.11	343.47	1.30	-132.81
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1C	REAL300008066772	0	44	-2.0	-123.58	344.16	5.51	-118.07
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)CC1	REAL300008066773	0	39	-2.0	-126.18	335.42	5.65	-120.53
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC=C2)CC1	REAL300008066774	0	33	-2.0	-128.11	293.23	3.27	-124.84
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C	REAL300008066775	0	37	-2.0	-122.39	310.26	3.33	-119.06
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300008066776	0	44	-2.0	-132.45	367.09	0.94	-131.51
CN(C1CCOCC1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066777	0	43	-2.0	-120.45	341.34	3.28	-117.17
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CC3CCC2C3)CC1	REAL300008066778	0	40	-2.0	-123.98	320.76	4.77	-119.21
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300008066779	0	43	-2.0	-128.66	360.00	6.28	-122.38
CCN1N=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300008066780	0	43	-2.0	-124.88	349.95	5.07	-119.81
CC(C)N1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008066781	0	40	-2.0	-124.67	339.21	4.35	-120.32
CC(C)CN1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066782	0	43	-2.0	-127.73	358.97	6.23	-121.50
CC(C)N1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066783	0	40	-2.0	-128.50	339.87	5.65	-122.85
CC(C)C1=NC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CN1	REAL300008066784	0	40	-2.0	-128.51	338.25	3.71	-124.80
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066785	0	46	-2.0	-125.26	342.48	7.92	-117.34
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066786	0	42	-2.0	-133.77	360.55	4.66	-129.11
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCOC2)CC1	REAL300008066787	0	41	-2.0	-124.20	328.26	4.01	-120.19
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066788	0	37	-2.0	-122.16	305.28	5.62	-116.54
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CC1	REAL300008066789	0	40	-2.0	-123.05	343.90	7.65	-115.40
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CC1	REAL300008066790	0	38	-2.0	-122.62	338.99	4.88	-117.74
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066791	0	49	-2.0	-124.46	384.26	6.18	-118.28
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)CC1	REAL300008066792	0	37	-2.0	-123.68	328.62	6.18	-117.50
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066793	0	45	-2.0	-126.38	371.82	4.82	-121.56
COCCC(C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066794	0	40	-2.0	-123.92	325.91	3.67	-120.25
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066795	0	38	-2.0	-123.27	323.12	5.17	-118.10
CCC(C)CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066796	0	39	-2.0	-122.50	312.83	5.09	-117.41
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CC1	REAL300008066797	0	52	-2.0	-121.83	381.54	6.92	-114.91
CC1=NC2=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C2C=C1	REAL300008066798	0	42	-2.0	-134.16	349.70	6.90	-127.26
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300008066799	0	42	-2.0	-132.04	359.27	7.16	-124.88
CCN(CC1CC1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066800	0	42	-2.0	-122.12	340.00	5.56	-116.56
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)CC1	REAL300008066801	0	45	-2.0	-123.82	371.58	3.80	-120.02
CCCN1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066802	0	40	-2.0	-128.15	341.76	6.02	-122.13
COCCOCCOCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066803	0	48	-2.0	-126.52	402.01	2.53	-123.99
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CC2)CC1	REAL300008066804	0	41	-2.0	-123.86	345.53	4.58	-119.28
CC(COC1CCCC1)CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066805	0	50	-2.0	-123.36	395.30	6.62	-116.74
COCC(C)CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066806	0	40	-2.0	-122.65	327.55	3.54	-119.11
CCOCC(C)CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066807	0	43	-2.0	-122.67	349.40	4.51	-118.16
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)CC1	REAL300008066808	0	42	-2.0	-125.23	352.82	3.22	-122.01
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CC1	REAL300008066809	0	38	-2.0	-121.47	332.88	5.44	-116.03
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300008066810	0	40	-2.0	-121.43	349.98	5.99	-115.44
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066811	0	40	-2.0	-119.41	336.31	6.55	-112.86
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066812	0	40	-2.0	-120.36	336.33	6.56	-113.80
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300008066813	0	40	-2.0	-120.10	348.87	6.76	-113.34
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066814	0	43	-2.0	-125.37	348.65	7.43	-117.94
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCCN2CCOCC2)CC1	REAL300008066815	0	46	-2.0	-124.58	368.17	2.24	-122.34
CCOC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066816	0	41	-2.0	-124.85	345.82	5.47	-119.38
COCCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008066817	0	41	-2.0	-124.16	354.20	2.87	-121.29
CC(C)(C)CCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066818	0	42	-2.0	-123.53	335.06	5.45	-118.08
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CC1	REAL300008066819	0	41	-2.0	-126.94	358.81	5.79	-121.15
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300008066820	0	42	-2.0	-127.37	367.97	7.44	-119.93
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)CC1	REAL300008066821	0	39	-2.0	-125.85	335.64	5.62	-120.23
CC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300008066822	0	39	-2.0	-122.30	319.14	4.19	-118.11
COCC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066823	0	41	-2.0	-122.96	330.90	4.82	-118.14
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CC1	REAL300008066824	0	37	-2.0	-125.64	338.40	4.33	-121.31
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)CC1	REAL300008066825	0	37	-2.0	-127.09	333.52	4.11	-122.98
CC1(C)CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C2O1	REAL300008066826	0	45	-2.0	-122.94	370.97	6.49	-116.45
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CC1	REAL300008066827	0	37	-2.0	-128.72	332.95	4.29	-124.43
CSC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066828	0	38	-2.0	-128.89	323.65	6.02	-122.87
CCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066829	0	40	-2.0	-123.24	336.41	6.66	-116.58
CCC1=CC=C(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066830	0	43	-2.0	-125.59	361.13	7.44	-118.15
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CS2)CC1	REAL300008066831	0	37	-2.0	-123.97	329.97	5.86	-118.11
CC1=CC=C(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300008066832	0	43	-2.0	-126.24	356.66	7.19	-119.05
CC(C)CN(C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066833	0	41	-2.0	-121.39	333.92	4.84	-116.55
CN(C1CCCC1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066834	0	42	-2.0	-122.17	330.82	4.99	-117.18
CCCN(C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066835	0	38	-2.0	-121.48	314.61	4.13	-117.35
CC1(C)CN(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCO1	REAL300008066836	0	43	-2.0	-121.73	340.63	3.47	-118.26
CC1=NOC(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066837	0	36	-2.0	-124.16	314.68	4.09	-120.07
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300008066838	0	46	-2.0	-125.37	385.17	6.80	-118.57
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066839	0	41	-2.0	-129.81	357.38	-0.04	-129.85
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300008066840	0	40	-2.0	-124.12	351.21	6.37	-117.75
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CC1	REAL300008066841	0	40	-2.0	-130.79	346.20	7.71	-123.08
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCO2)CC1	REAL300008066842	0	41	-2.0	-125.08	335.36	4.07	-121.01
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CC1	REAL300008066843	0	40	-2.0	-122.77	355.43	7.03	-115.74
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)CC1	REAL300008066844	0	45	-2.0	-126.80	375.64	6.60	-120.20
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC(C)=C2S1	REAL300008066845	0	43	-2.0	-124.62	360.98	8.10	-116.52
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1N(C)C	REAL300008066846	0	45	-2.0	-123.07	369.06	5.90	-117.17
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OCCCN3N=C2)CC1	REAL300008066847	0	39	-2.0	-126.41	330.50	2.15	-124.26
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CCCC2)CC1	REAL300008066848	0	47	-2.0	-123.81	379.93	5.73	-118.08
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300008066849	0	41	-2.0	-120.87	343.68	5.41	-115.46
CSC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300008066850	0	38	-2.0	-122.70	349.66	6.72	-115.98
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066851	0	46	-2.0	-124.96	365.56	5.67	-119.29
COC(C)CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066852	0	37	-2.0	-125.14	311.12	2.98	-122.16
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CC1	REAL300008066853	0	42	-2.0	-123.43	365.61	3.82	-119.61
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C12	REAL300008066854	0	41	-2.0	-123.34	355.70	2.96	-120.38
CN1N=CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN=C21	REAL300008066855	0	39	-2.0	-124.79	338.80	4.39	-120.40
CCC1=CC(CC)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(CC)=C1	REAL300008066856	0	52	-2.0	-123.41	386.04	9.31	-114.10
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN3CCCCC3=N2)CC1	REAL300008066857	0	41	-2.0	-130.34	340.22	5.30	-125.04
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CC1	REAL300008066858	0	43	-2.0	-133.33	359.23	8.99	-124.34
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1F	REAL300008066859	0	41	-2.0	-124.29	332.02	4.88	-119.41
CC1(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCCC1	REAL300008066860	0	46	-2.0	-123.61	344.30	6.76	-116.85
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)CC1	REAL300008066861	0	43	-2.0	-125.67	355.54	6.73	-118.94
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CC1	REAL300008066862	0	42	-2.0	-124.59	363.88	6.54	-118.05
CN1N=NC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066863	0	33	-2.0	-118.90	286.93	1.69	-117.21
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066864	0	41	-2.0	-121.12	365.32	5.46	-115.66
CC1=CC=C(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(F)=C1	REAL300008066865	0	40	-2.0	-126.55	344.00	6.65	-119.90
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)CC1	REAL300008066867	0	34	-2.0	-118.39	326.11	5.42	-112.97
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)CC1	REAL300008066868	0	47	-2.0	-125.94	383.23	8.57	-117.37
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300008066869	0	45	-2.0	-126.34	376.36	6.00	-120.34
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCC2)CC1	REAL300008066870	0	40	-2.0	-123.52	328.01	5.82	-117.70
CC(C)(C)CCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066871	0	45	-2.0	-123.24	356.56	6.21	-117.03
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)CC1	REAL300008066872	0	43	-2.0	-134.73	355.83	2.43	-132.30
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300008066873	0	37	-2.0	-122.25	330.61	5.72	-116.53
CC1=C(CCS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=N1	REAL300008066874	0	39	-2.0	-125.10	343.72	4.50	-120.60
COCC1(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300008066875	0	38	-2.0	-127.34	307.55	4.55	-122.79
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC23CCC(CC2)C3)CC1	REAL300008066876	0	44	-2.0	-124.26	342.83	6.67	-117.59
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CC(F)(F)C2)CC1	REAL300008066877	0	37	-2.0	-123.83	319.75	5.22	-118.61
COC1=CC=C2C=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2=C1	REAL300008066878	0	46	-2.0	-124.97	378.39	6.96	-118.01
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC23CCC(CC2)CC3)CC1	REAL300008066879	0	47	-2.0	-124.04	351.90	7.27	-116.77
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCOC2)CC1	REAL300008066880	0	41	-2.0	-123.93	333.97	3.75	-120.18
CC(C)(CCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)S(C)(=O)=O	REAL300008066881	0	45	-2.0	-137.23	367.73	2.37	-134.86
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCCC2(F)F)CC1	REAL300008066882	0	43	-2.0	-123.65	345.75	6.43	-117.22
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CC1	REAL300008066883	0	41	-2.0	-124.79	345.18	7.38	-117.41
CN1C=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300008066884	0	34	-2.0	-127.41	299.28	2.80	-124.61
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008066885	0	42	-2.0	-124.36	356.87	7.08	-117.28
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1	REAL300008066886	0	34	-2.0	-120.42	311.18	5.77	-114.65
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C=C2)CC1	REAL300008066887	0	34	-2.0	-120.24	315.75	5.87	-114.37
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300008066888	0	36	-2.0	-118.85	321.74	5.90	-112.95
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC1	REAL300008066889	0	40	-2.0	-125.00	339.47	7.52	-117.48
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300008066890	0	36	-2.0	-124.14	322.67	5.92	-118.22
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066891	0	39	-2.0	-120.57	326.43	6.23	-114.34
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066892	0	38	-2.0	-122.69	323.01	4.53	-118.16
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300008066893	0	36	-2.0	-128.68	307.44	6.83	-121.85
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066894	0	37	-2.0	-122.01	315.35	5.87	-116.14
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066895	0	41	-2.0	-122.43	344.86	5.46	-116.97
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300008066896	0	46	-2.0	-123.93	349.96	7.61	-116.32
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300008066897	0	43	-2.0	-123.26	338.60	7.30	-115.96
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066898	0	49	-2.0	-122.95	374.37	7.87	-115.08
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300008066899	0	37	-2.0	-121.87	332.58	6.24	-115.63
CC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066900	0	37	-2.0	-123.30	315.86	5.92	-117.38
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC=C2)CC1	REAL300008066901	0	38	-2.0	-123.51	325.43	6.41	-117.10
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC1	REAL300008066902	0	37	-2.0	-122.72	315.66	6.49	-116.23
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2)CC1	REAL300008066903	0	34	-2.0	-121.66	311.18	5.77	-115.89
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066904	0	39	-2.0	-124.32	333.99	5.62	-118.70
CC1=CC=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066905	0	40	-2.0	-122.98	319.00	6.23	-116.75
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300008066906	0	40	-2.0	-123.83	332.86	6.45	-117.38
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300008066907	0	40	-2.0	-123.04	318.98	6.23	-116.81
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008066908	0	40	-2.0	-126.05	349.97	5.99	-120.06
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066909	0	46	-2.0	-122.63	369.73	7.55	-115.08
CC(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066910	0	43	-2.0	-122.58	353.75	7.16	-115.42
CCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066911	0	43	-2.0	-122.70	358.84	7.47	-115.23
COC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066912	0	38	-2.0	-126.20	316.87	5.10	-121.10
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2)CC1	REAL300008066913	0	37	-2.0	-125.65	318.24	6.00	-119.65
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300008066914	0	38	-2.0	-119.50	339.50	5.02	-114.48
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1C	REAL300008066915	0	49	-2.0	-124.71	362.90	8.13	-116.58
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)CC1	REAL300008066916	0	43	-2.0	-126.66	357.29	5.21	-121.45
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066917	0	50	-2.0	-126.04	393.03	7.42	-118.62
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008066918	0	39	-2.0	-125.19	338.65	6.44	-118.75
CC1=NNC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066919	0	37	-2.0	-123.08	307.59	2.98	-120.10
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066920	0	52	-2.0	-123.05	391.38	8.93	-114.12
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300008066921	0	37	-2.0	-118.76	332.68	6.20	-112.56
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)CC1	REAL300008066922	0	44	-2.0	-123.99	357.17	7.74	-116.25
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066923	0	42	-2.0	-126.46	346.19	4.39	-122.07
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300008066924	0	42	-2.0	-124.43	353.18	4.45	-119.98
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)CC1	REAL300008066925	0	41	-2.0	-124.18	339.97	7.16	-117.02
CC1=NOC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066926	0	36	-2.0	-119.08	305.33	4.14	-114.94
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)CC1	REAL300008066927	0	42	-2.0	-124.18	348.96	7.66	-116.52
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)CC1	REAL300008066928	0	39	-2.0	-124.12	330.38	5.10	-119.02
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066929	0	49	-2.0	-122.63	397.91	8.76	-113.87
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066930	0	39	-2.0	-127.61	347.70	0.19	-127.42
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300008066931	0	42	-2.0	-124.07	354.60	6.94	-117.13
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300008066932	0	42	-2.0	-120.33	345.14	6.79	-113.54
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CCCCCC2)CC1	REAL300008066933	0	42	-2.0	-122.70	326.90	5.37	-117.33
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2N=C1	REAL300008066934	0	42	-2.0	-134.55	351.23	6.76	-127.79
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300008066935	0	40	-2.0	-123.57	336.96	6.14	-117.43
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066936	0	38	-2.0	-122.71	333.60	5.62	-117.09
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066937	0	39	-2.0	-125.32	348.65	0.21	-125.11
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CCCCC2)CC1	REAL300008066938	0	39	-2.0	-123.17	304.62	4.49	-118.68
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CCCC2)CC1	REAL300008066939	0	36	-2.0	-121.62	296.95	3.57	-118.05
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)CC1	REAL300008066940	0	43	-2.0	-123.05	351.17	6.56	-116.49
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CN=C12	REAL300008066941	0	42	-2.0	-124.72	344.40	6.53	-118.19
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300008066942	0	42	-2.0	-127.61	346.65	8.05	-119.56
CC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300008066943	0	42	-2.0	-124.63	329.09	4.86	-119.77
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)CC1	REAL300008066944	0	46	-2.0	-132.41	380.38	4.60	-127.81
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066945	0	40	-2.0	-126.41	355.17	2.77	-123.64
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CC1	REAL300008066946	0	44	-2.0	-126.76	360.02	8.99	-117.77
CC1CC(C)CN(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300008066947	0	45	-2.0	-121.24	350.56	5.83	-115.41
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)CC1	REAL300008066948	0	40	-2.0	-127.43	329.17	7.59	-119.84
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300008066949	0	44	-2.0	-124.76	368.63	8.67	-116.09
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066950	0	37	-2.0	-120.40	304.28	5.60	-114.80
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NSN=C32)CC1	REAL300008066951	0	35	-2.0	-129.53	316.16	3.68	-125.85
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066952	0	38	-2.0	-123.18	333.46	5.62	-117.56
COC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066953	0	38	-2.0	-124.74	323.95	4.55	-120.19
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066954	0	49	-2.0	-122.55	383.95	8.02	-114.53
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300008066955	0	37	-2.0	-121.97	329.92	6.36	-115.61
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066956	0	44	-2.0	-123.42	363.72	6.10	-117.32
CCC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066957	0	40	-2.0	-124.30	320.21	6.90	-117.40
CC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066958	0	37	-2.0	-122.90	298.24	5.56	-117.34
CC1=NC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CN1C	REAL300008066959	0	37	-2.0	-129.87	317.96	4.15	-125.72
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)CC1	REAL300008066960	0	37	-2.0	-124.80	334.98	6.51	-118.29
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NON=C32)CC1	REAL300008066961	0	35	-2.0	-131.39	309.53	4.03	-127.36
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)CC1	REAL300008066962	0	39	-2.0	-134.47	329.87	6.11	-128.36
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066963	0	40	-2.0	-121.47	345.08	5.77	-115.70
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300008066964	0	38	-2.0	-123.72	330.17	4.62	-119.10
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300008066965	0	37	-2.0	-122.22	321.18	5.96	-116.26
CC1=CC=C(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066966	0	40	-2.0	-125.65	339.65	6.66	-118.99
CN1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008066967	0	34	-2.0	-129.34	298.45	4.35	-124.99
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CN=C2)CC1	REAL300008066968	0	33	-2.0	-123.07	289.43	3.48	-119.59
CC1CCCCN1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066969	0	42	-2.0	-122.26	320.94	4.97	-117.29
CC(C)N(C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066970	0	38	-2.0	-122.06	306.16	3.72	-118.34
CCCN(CCC)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066971	0	44	-2.0	-122.97	355.97	5.73	-117.24
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300008066972	0	37	-2.0	-123.49	350.16	6.97	-116.52
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300008066973	0	44	-2.0	-127.16	357.86	6.58	-120.58
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066974	0	39	-2.0	-119.10	326.39	6.22	-112.88
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066975	0	39	-2.0	-125.59	320.83	6.06	-119.53
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066976	0	42	-2.0	-136.90	348.26	7.57	-129.33
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066977	0	46	-2.0	-122.68	375.66	7.93	-114.75
COCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066978	0	44	-2.0	-123.40	371.02	5.76	-117.64
COCCN(CCOC)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066979	0	46	-2.0	-129.31	361.60	3.65	-125.66
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008066980	0	37	-2.0	-120.30	314.61	6.05	-114.25
COC1=C(C)C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300008066981	0	44	-2.0	-121.73	365.68	6.05	-115.68
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066982	0	50	-2.0	-121.98	405.43	7.56	-114.42
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CC1	REAL300008066983	0	48	-2.0	-122.75	389.09	7.47	-115.28
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066984	0	47	-2.0	-122.80	387.40	6.97	-115.83
CCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066985	0	44	-2.0	-122.14	366.36	6.26	-115.88
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300008066986	0	38	-2.0	-123.06	339.97	5.11	-117.95
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300008066987	0	41	-2.0	-123.45	344.02	5.29	-118.16
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1OC(C)C	REAL300008066988	0	47	-2.0	-123.67	383.79	6.84	-116.83
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300008066989	0	41	-2.0	-123.19	327.04	4.86	-118.33
COCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008066990	0	45	-2.0	-124.27	378.49	4.73	-119.54
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2F)CC1	REAL300008066991	0	37	-2.0	-126.79	322.60	5.97	-120.82
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300008066992	0	42	-2.0	-134.57	339.15	7.65	-126.92
CC1=NC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008066993	0	36	-2.0	-120.30	318.72	3.59	-116.71
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC3=CC=CC=C32)CC1	REAL300008066994	0	37	-2.0	-123.98	323.91	6.36	-117.62
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCC2)CC1	REAL300008066995	0	40	-2.0	-123.54	321.58	5.70	-117.84
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1F	REAL300008066996	0	38	-2.0	-121.30	330.17	4.62	-116.68
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2)CC1	REAL300008066997	0	31	-2.0	-121.15	285.55	4.17	-116.98
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CC1	REAL300008066998	0	44	-2.0	-125.75	368.65	8.66	-117.09
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300008066999	0	37	-2.0	-121.73	350.75	6.95	-114.78
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCCC2)CC1	REAL300008067000	0	43	-2.0	-123.40	337.19	6.38	-117.02
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC=C2C2CCC2)C=C1C(=O)[O-]	REAL300008068000	0	44	-2.0	-136.25	383.02	8.50	-127.75
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300008076523	1	44	-2.0	-105.78	375.26	1.70	-104.08
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300008076567	0	45	-2.0	-119.15	387.83	0.67	-118.48
CC(C)[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008076582	1	33	-2.0	-127.22	306.44	3.74	-123.48
CCN1C=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300008076701	1	35	-2.0	-136.55	311.95	4.48	-132.07
CC(C)[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008076750	1	33	-2.0	-127.79	298.58	2.60	-125.19
CC(C)[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008076815	0	32	-2.0	-141.91	296.94	2.29	-139.62
CC1=NC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300008076907	1	39	-2.0	-140.19	344.25	2.18	-138.01
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300008076923	1	34	-2.0	-133.86	308.24	2.86	-131.00
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(F)=C1	REAL300008084507	1	44	-2.0	-103.89	374.84	3.19	-100.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300008084551	0	45	-2.0	-110.92	375.12	2.22	-108.70
CN1C=NC(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300008084977	1	27	-2.0	-129.78	272.80	2.22	-127.56
COCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008098551	1	34	-2.0	-125.08	316.67	2.94	-122.14
CCN1C=C(S(=O)(=O)[N-]C(CCOC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008098680	1	36	-2.0	-134.39	337.71	2.69	-131.70
COCCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008098727	1	34	-2.0	-125.51	319.29	1.33	-124.18
COCCC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008098728	1	34	-2.0	-131.75	310.26	2.87	-128.88
COCCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008098799	0	33	-2.0	-147.45	310.77	1.33	-146.12
COCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008098903	1	40	-2.0	-140.26	362.98	0.78	-139.48
COCCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008098922	1	35	-2.0	-128.88	325.29	1.40	-127.48
CC1(C([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C(=O)[O-])CC1	REAL300008102875	1	34	-2.0	-131.74	313.35	5.22	-126.52
CC(C)C(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008114778	1	36	-2.0	-123.38	322.08	4.43	-118.95
CCN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300008114903	1	38	-2.0	-133.55	326.78	5.20	-128.35
CC(C)C(CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008114948	1	36	-2.0	-125.47	318.34	3.10	-122.37
CC(C)C(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008114949	1	36	-2.0	-127.51	315.16	4.46	-123.05
CC(CC1=NC=CN1C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008116747	0	40	-2.0	-133.91	362.36	5.74	-128.17
CC(CC1=NC=CN1C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008116751	1	34	-2.0	-104.70	329.95	3.29	-101.41
CCC1=CC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CCC2=C1	REAL300008116864	0	44	-2.0	-137.95	382.49	9.55	-128.40
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008120477	1	36	-2.0	-123.42	314.92	4.72	-118.70
CCN1C=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300008120602	1	38	-2.0	-121.96	334.38	4.88	-117.08
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008120647	1	36	-2.0	-117.48	318.13	2.85	-114.63
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008120648	1	36	-2.0	-124.54	310.45	4.42	-120.12
CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008120720	0	35	-2.0	-138.49	307.10	3.11	-135.38
CC1=NC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300008120823	1	42	-2.0	-140.36	355.00	3.92	-136.44
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300008120842	1	37	-2.0	-125.83	318.67	3.61	-122.22
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300008132421	1	42	-2.0	-107.99	375.24	3.08	-104.91
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300008132465	0	43	-2.0	-115.77	375.29	2.08	-113.69
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(F)F)C2)C=C1C(=O)[O-]	REAL300008132934	0	37	-2.0	-140.68	332.35	6.79	-133.89
O=C([O-])C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CCC1	REAL300008134547	1	34	-2.0	-130.28	305.07	4.82	-125.46
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCC2)C([N+](=O)[O-])=N1	REAL300008134676	1	36	-2.0	-138.52	329.87	4.78	-133.74
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCC2)C(C(F)(F)F)=N1	REAL300008134727	1	34	-2.0	-129.67	319.57	2.79	-126.88
O=C([O-])C([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CCC1	REAL300008134728	1	34	-2.0	-140.78	305.43	4.91	-135.87
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCC2)=N1	REAL300008134806	0	33	-2.0	-149.77	302.75	3.26	-146.51
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2CCC2)=C(C2=CC=CC=C2)O1	REAL300008134913	1	40	-2.0	-144.85	353.23	3.11	-141.74
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCC2)C(F)=C1	REAL300008134932	1	35	-2.0	-138.80	305.16	4.01	-134.79
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008138732	1	36	-2.0	-123.04	320.93	4.91	-118.13
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300008138864	1	38	-2.0	-134.18	332.69	5.41	-128.77
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008138915	1	36	-2.0	-125.53	323.05	3.30	-122.23
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008138916	1	36	-2.0	-131.03	314.52	4.84	-126.19
CCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008138995	0	35	-2.0	-137.90	313.11	3.31	-134.59
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008140353	1	36	-2.0	-120.46	318.31	4.41	-116.05
CCN1C=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300008140485	1	38	-2.0	-133.26	333.64	5.41	-127.85
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008140536	1	36	-2.0	-117.78	314.29	2.95	-114.83
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008140537	1	36	-2.0	-127.61	308.85	4.66	-122.95
CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008140616	0	35	-2.0	-140.08	307.46	3.12	-136.96
CC1=NC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300008140721	1	42	-2.0	-140.84	355.34	3.86	-136.98
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)C(F)=C1	REAL300008140740	1	37	-2.0	-128.14	323.93	3.52	-124.62
O=C([O-])CC(CC1CCCC1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008140933	1	43	-2.0	-128.48	357.52	7.31	-121.17
CC1=CC(C)=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CCC2=C1	REAL300008142670	0	44	-2.0	-137.91	378.30	9.31	-128.60
CCC1=CC=CC2=C1CN(S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)CC2	REAL300008142783	0	44	-2.0	-136.89	375.91	9.27	-127.62
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008143702	1	36	-2.0	-119.29	319.85	4.93	-114.36
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300008143834	1	38	-2.0	-119.82	329.08	5.20	-114.62
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008143885	1	36	-2.0	-116.26	326.89	2.99	-113.27
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008143886	1	36	-2.0	-125.74	313.43	4.86	-120.88
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008143965	0	35	-2.0	-137.13	312.03	3.33	-133.80
C=CCC(NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300008144234	1	42	-2.0	-96.56	387.70	2.07	-94.49
C=CCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300008144277	0	43	-2.0	-104.31	388.23	0.79	-103.52
C=CCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008144291	1	31	-2.0	-122.83	303.22	3.71	-119.12
C=CCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300008144400	1	33	-2.0	-134.61	317.35	4.15	-130.46
C=CCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008144443	1	31	-2.0	-126.15	307.02	2.16	-123.99
C=CCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008144498	0	30	-2.0	-148.20	290.41	2.78	-145.42
C=CCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008144579	1	37	-2.0	-146.69	338.12	2.82	-143.87
C=CCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008144594	1	32	-2.0	-136.53	300.06	3.42	-133.11
O=C([O-])C(CC1CCCCO1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008144765	1	41	-2.0	-133.77	358.12	5.34	-128.43
CCN1C=C(S(=O)(=O)[N-]C(CC2CCCCO2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008144891	1	43	-2.0	-142.98	377.46	4.80	-138.18
CN1C=C(S(=O)(=O)[N-]C(CC2CCCCO2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300008144937	1	41	-2.0	-136.42	367.87	2.78	-133.64
O=C([O-])C(CC1CCCCO1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008144940	1	41	-2.0	-139.76	349.78	5.35	-134.41
CC1=C(S(=O)(=O)[N-]C(CC2CCCCO2)C(=O)[O-])C(N)=NO1	REAL300008144990	1	39	-2.0	-122.87	327.55	2.29	-120.58
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC1	REAL300008156980	1	34	-2.0	-124.31	312.08	4.77	-119.54
CC(C)C(C)([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008186694	1	36	-2.0	-123.81	310.32	4.39	-119.42
CCN1C=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300008186815	1	38	-2.0	-126.67	325.46	4.62	-122.05
CC(C)C(C)([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008186858	1	36	-2.0	-118.88	315.13	2.66	-116.22
CC(C)C(C)([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008186859	1	36	-2.0	-130.39	303.90	4.32	-126.07
CC(C)C(C)([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008186931	0	35	-2.0	-132.23	303.44	2.64	-129.59
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC1	REAL300008190108	1	34	-2.0	-124.31	312.08	4.77	-119.54
CCN1C=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300008190237	1	36	-2.0	-133.50	325.17	5.21	-128.29
CN1C=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300008190288	1	34	-2.0	-126.10	314.59	3.15	-122.95
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CC1	REAL300008190289	1	34	-2.0	-134.17	296.30	5.40	-128.77
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)=N1	REAL300008190367	0	33	-2.0	-140.09	303.20	3.28	-136.81
CC1=NC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300008190474	1	40	-2.0	-135.85	349.78	3.52	-132.33
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)C(F)=C1	REAL300008190493	1	35	-2.0	-126.96	313.84	3.91	-123.05
CC(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008190701	1	39	-2.0	-124.94	336.99	5.40	-119.54
CCN1C=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)C)C([N+](=O)[O-])=N1	REAL300008190842	1	41	-2.0	-121.28	347.40	5.74	-115.54
CC(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008190895	1	39	-2.0	-117.91	336.97	3.78	-114.13
CC(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008190898	1	39	-2.0	-126.63	330.76	5.36	-121.27
CC1=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)C)C(N)=NO1	REAL300008190947	1	37	-2.0	-106.81	311.87	2.05	-104.76
CC(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008190983	0	38	-2.0	-145.76	329.17	3.79	-141.97
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](CC)CC(=O)[O-])C(F)=C1	REAL300008200111	1	44	-2.0	-99.67	366.84	2.35	-97.32
CC[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300008200155	0	45	-2.0	-122.50	378.44	0.81	-121.69
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008200170	1	33	-2.0	-122.36	299.17	4.17	-118.19
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300008200289	1	35	-2.0	-132.06	311.53	4.64	-127.42
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300008200338	1	33	-2.0	-118.16	305.63	2.24	-115.92
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008200403	0	32	-2.0	-134.78	289.94	2.60	-132.18
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300008200495	1	39	-2.0	-126.10	333.77	2.84	-123.26
CC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300008200511	1	34	-2.0	-126.21	304.97	2.97	-123.24
O=C([O-])C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC2CCC1C2	REAL300008200675	1	41	-2.0	-138.10	347.37	6.53	-131.57
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC3CCC2C3)C([N+](=O)[O-])=N1	REAL300008200793	1	43	-2.0	-144.26	356.25	6.71	-137.55
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC3CCC2C3)C(C(F)(F)F)=N1	REAL300008200834	1	41	-2.0	-139.32	349.02	4.79	-134.53
O=C([O-])C([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CC2CCC1C2	REAL300008200837	1	41	-2.0	-146.23	340.94	6.46	-139.77
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC3CCC2C3)C(N)=NO1	REAL300008200885	1	39	-2.0	-126.72	319.16	3.49	-123.23
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC3CCC2C3)=N1	REAL300008200914	0	40	-2.0	-154.19	343.45	4.39	-149.80
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@H]3COC[C@H]3C2)C=C1C(=O)[O-]	REAL300008208316	0	40	-2.0	-134.01	341.66	4.00	-130.01
O=C([O-])CCOCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008208539	1	34	-2.0	-98.75	324.80	2.39	-96.36
CCN1C=C(S(=O)(=O)[N-]CCOCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300008208677	1	36	-2.0	-108.33	338.95	2.81	-105.52
CN1C=C(S(=O)(=O)[N-]CCOCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300008208730	1	34	-2.0	-102.51	327.27	0.77	-101.74
O=C([O-])CCOCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008208731	1	34	-2.0	-104.80	318.39	2.32	-102.48
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCOCCC(=O)[O-])=N1	REAL300008208809	0	33	-2.0	-112.70	316.98	0.83	-111.87
CC1=NC(S(=O)(=O)[N-]CCOCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008208915	1	40	-2.0	-113.56	364.68	0.90	-112.66
COC1=CC(F)=C(S(=O)(=O)[N-]CCOCCC(=O)[O-])C(F)=C1	REAL300008208934	1	35	-2.0	-103.36	326.62	1.51	-101.85
COC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008216996	1	34	-2.0	-114.55	314.56	2.14	-112.41
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300008233668	0	39	-2.0	-153.62	363.56	1.12	-152.50
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCSCC2)C=C1C(=O)[O-]	REAL300008233786	0	38	-2.0	-139.83	332.51	5.63	-134.20
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCSCC2)=C1	REAL300008233790	1	32	-2.0	-92.59	307.05	3.13	-89.46
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300008250521	1	34	-2.0	-109.03	316.08	4.06	-104.97
CCN1C=C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300008250650	1	36	-2.0	-120.02	330.23	4.47	-115.55
CN1C=C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300008250701	1	34	-2.0	-112.86	318.54	2.44	-110.42
CC1(C(=O)[O-])CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300008250702	1	34	-2.0	-115.43	309.66	3.99	-111.44
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)=N1	REAL300008250780	0	33	-2.0	-124.17	308.26	2.50	-121.67
CC1=NC(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300008250887	1	40	-2.0	-113.07	348.15	3.04	-110.03
COC1=CC(F)=C(S(=O)(=O)[N-]C2CC(C)(C(=O)[O-])C2)C(F)=C1	REAL300008250906	1	35	-2.0	-119.03	315.59	3.13	-115.90
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008263610	1	34	-2.0	-129.54	321.14	2.36	-127.18
CCN1C=C(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC)C([N+](=O)[O-])=N1	REAL300008263735	1	36	-2.0	-140.11	328.39	3.21	-136.90
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008263780	1	34	-2.0	-132.79	317.70	1.28	-131.51
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008263781	1	34	-2.0	-137.02	314.48	2.31	-134.71
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008263852	0	33	-2.0	-143.57	311.82	0.91	-142.66
CO[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008263950	1	40	-2.0	-144.46	360.07	0.88	-143.58
CC1[C@@H](C)[C@@]1([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008266776	1	34	-2.0	-126.65	301.55	4.76	-121.89
CCN1C=C(S(=O)(=O)[N-][C@]2(C(=O)[O-])C(C)[C@H]2C)C([N+](=O)[O-])=N1	REAL300008266905	1	36	-2.0	-135.24	322.34	5.24	-130.00
CC1[C@@H](C)[C@@]1([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008266956	1	34	-2.0	-131.33	311.74	2.73	-128.60
CC1[C@@H](C)[C@@]1([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008266957	1	34	-2.0	-133.77	295.14	4.69	-129.08
O=C([O-])[C@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008281860	1	34	-2.0	-120.06	304.83	4.90	-115.16
CCN1C=C(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008281989	1	36	-2.0	-126.46	318.75	5.29	-121.17
CN1C=C(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300008294813	0	41	-2.0	-142.67	375.86	7.82	-134.85
CCOCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008312907	1	34	-2.0	-133.02	319.00	3.08	-129.94
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(F)=C1	REAL300008363389	1	42	-2.0	-103.46	363.45	2.08	-101.38
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300008363433	0	43	-2.0	-107.44	363.52	0.43	-107.01
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300008363447	1	31	-2.0	-118.93	296.34	3.97	-114.96
CCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300008363563	1	33	-2.0	-121.70	307.75	4.30	-117.40
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300008363612	1	31	-2.0	-115.74	296.14	2.29	-113.45
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)=N1	REAL300008363671	0	30	-2.0	-133.14	287.50	2.46	-130.68
CC1=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300008363755	1	37	-2.0	-125.73	332.57	2.58	-123.15
COC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)C(F)=C1	REAL300008363770	1	32	-2.0	-126.56	296.26	2.85	-123.71
C[C@H](CC1=CC=C2CCCC2=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008363886	1	41	-2.0	-98.39	374.35	6.96	-91.43
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C2	REAL300008363992	0	47	-2.0	-137.12	371.80	7.68	-129.44
CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C2	REAL300008363996	1	41	-2.0	-97.07	342.00	5.28	-91.79
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008367229	1	34	-2.0	-119.16	310.07	4.24	-114.92
CCN1C=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008367358	1	36	-2.0	-124.07	324.20	4.64	-119.43
CN1C=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300008367409	1	34	-2.0	-117.91	311.97	2.59	-115.32
O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008367410	1	34	-2.0	-125.34	303.65	4.18	-121.16
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300008367488	0	33	-2.0	-133.47	300.98	2.75	-130.72
CC1=NC(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008367595	1	40	-2.0	-136.29	350.06	2.77	-133.52
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300008367614	1	35	-2.0	-126.27	312.33	3.31	-122.96
CC1=CC=C(C2=CN=C([N-]C(=O)C3CCC4(CC4C(=O)[O-])C3)S2)C=C1	REAL300008419685	1	43	-2.0	-98.75	368.06	9.74	-89.01
O=C([O-])C1CC12CCC(C(=O)[N-]C1=NC3=CC4=C(C=C3S1)OCO4)C2	REAL300008419918	1	39	-2.0	-99.25	341.69	6.06	-93.19
CC(=O)C1=CN=C([N-]C(=O)C2CCC3(CC3C(=O)[O-])C2)S1	REAL300008423023	1	35	-2.0	-100.56	312.89	6.03	-94.53
CC1=CC=C(N2[N-]C(C(=O)NCCOCCOCC(=O)[O-])=CC2=O)C=C1	REAL300008423656	0	45	-2.0	-106.46	393.96	4.85	-101.61
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCOCCOCC(=O)[O-]	REAL300008423689	0	42	-2.0	-104.00	379.95	1.67	-102.33
O=C([O-])COCCOCCNC(=O)C1=CC=C2[N-]C(=S)OC2=C1	REAL300008423854	0	37	-2.0	-101.20	346.17	1.84	-99.36
O=C([O-])COCCOCCNC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300008423868	1	40	-2.0	-111.06	357.82	1.11	-109.95
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCOCCOCC(=O)[O-])O1	REAL300008423970	1	48	-2.0	-98.64	421.43	0.70	-97.94
O=C([O-])C1CC(C(=O)[N-]C2=NN=C(C3CCCO3)S2)=NN1C1=CC=CC=C1	REAL300009356818	0	42	-2.0	-111.66	375.49	5.06	-106.60
O=C([O-])C1=CC=C(C(=O)[N-]C2=NN=C(C3CCCO3)S2)N=C1	REAL300009356819	1	32	-2.0	-98.96	304.86	2.67	-96.29
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300009356820	0	36	-2.0	-112.92	313.72	3.94	-108.98
CCC(CC)(C(=O)[O-])C(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300009356822	0	38	-2.0	-118.64	318.91	3.98	-114.66
O=C([O-])C1(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC=CCC1	REAL300009356823	0	37	-2.0	-122.58	319.29	4.28	-118.30
O=C([O-])C1(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CCCCC1	REAL300009356825	0	39	-2.0	-122.16	324.72	4.45	-117.71
O=C([O-])COCC1=C(C(=O)[N-]C2=NN=C(C3CCCO3)S2)N=CO1	REAL300009356826	0	36	-2.0	-120.05	339.34	-0.14	-120.19
O=C([O-])C1(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CCCO1	REAL300009356827	0	34	-2.0	-126.19	304.82	2.26	-123.93
O=C([O-])C1(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC=CC1	REAL300009356828	0	34	-2.0	-122.09	304.62	3.69	-118.40
CC(C)(C)C(C(=O)[O-])C(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300009356829	0	38	-2.0	-118.60	315.58	3.84	-114.76
O=C([O-])C1(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC2CCC1C2	REAL300009356830	0	40	-2.0	-128.80	331.47	4.57	-124.23
O=C([O-])C1CCC(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CC1	REAL300009356831	0	39	-2.0	-100.89	333.23	4.56	-96.33
O=C([O-])C1(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CCOCC1	REAL300009356832	0	37	-2.0	-118.08	316.06	2.09	-115.99
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300009356833	0	42	-2.0	-124.17	342.59	4.73	-119.44
COC(C)(C(=O)[O-])C(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300009356836	0	33	-2.0	-119.91	294.26	2.41	-117.50
CC1(C)CC1(C(=O)[O-])C(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300009356837	0	36	-2.0	-118.97	310.34	4.22	-114.75
O=C([O-])C(C(=O)[N-]C1=NN=C(C2CCCO2)S1)C1CCCC1	REAL300009356838	0	39	-2.0	-122.29	327.72	4.77	-117.52
O=C([O-])C1(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CCCCCC1	REAL300009356839	0	42	-2.0	-121.70	330.06	5.37	-116.33
O=C([O-])C1(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CCSCC1	REAL300009356840	0	37	-2.0	-116.73	323.33	4.27	-112.46
O=C([O-])C1(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CCS(=O)(=O)CC1	REAL300009356841	0	39	-2.0	-114.94	342.21	0.57	-114.37
O=C([O-])CN1C=C(C(=O)[N-]C2=NN=C(C3CCCO3)S2)N=N1	REAL300009356842	0	32	-2.0	-105.10	308.29	1.09	-104.01
O=C([O-])CCC1CC(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CO1	REAL300009356844	0	40	-2.0	-99.41	347.56	3.03	-96.38
O=C([O-])C=CC1=CC(C(=O)[N-]C2=NN=C(C3CCCO3)S2)=CO1	REAL300009356845	0	34	-2.0	-100.56	325.64	3.95	-96.61
O=C(C=CC1=CC=C(C(=O)[O-])O1)[N-]C1=NN=C(C2CCCO2)S1	REAL300009356846	0	34	-2.0	-102.63	327.20	4.26	-98.37
O=C([O-])CN1C=CC=C(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1=O	REAL300009356847	0	36	-2.0	-123.02	333.27	4.47	-118.55
O=C([O-])CN1CCCC(C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1=O	REAL300009356848	0	40	-2.0	-114.27	348.69	3.67	-110.60
O=C([O-])C1=CC(Br)=CN=C1C(=O)[N-]C1=NN=C(C2CCCO2)S1	REAL300009356849	1	32	-2.0	-131.43	324.48	4.03	-127.40
O=C([O-])C12CC(C(=O)[N-]C3=NN=C(C4CCCO4)S3)(C1)C2	REAL300009356850	0	34	-2.0	-102.91	309.35	3.90	-99.01
O=C([O-])C1(C(=O)[N-]C2=NN=C(C3CCCO3)S2)CCCC1	REAL300009356853	0	36	-2.0	-122.06	311.10	3.95	-118.11
O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]C2=NN=C(C3CCCO3)S2)C1	REAL300009356854	0	39	-2.0	-114.13	333.10	4.54	-109.59
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300009871935	0	34	-2.0	-101.14	325.93	2.07	-99.07