CS(=O)(=O)[N-]C1=CC=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C=N1	REAL300005728223	0	39	-2.0	-99.78	352.52	1.53	-98.25
O=C([O-])C1CCS(=O)(=NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300005728258	1	38	-2.0	-111.21	331.09	2.95	-108.26
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=N1	REAL300005728412	0	43	-2.0	-124.73	377.32	5.54	-119.19
O=C([O-])C1CCS(=O)(=NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300005728417	0	40	-2.0	-121.50	359.12	4.71	-116.79
O=C([O-])C1CCS(=O)(=NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300005728459	0	38	-2.0	-121.82	333.07	5.18	-116.64
O=C([O-])C1CCS(=O)(=NC([O-])=CS(=O)(=O)C2CC2)CC1	REAL300005728549	1	35	-2.0	-115.81	314.54	1.54	-114.27
CC1=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=CC=C1[O-]	REAL300005728598	1	36	-2.0	-103.20	310.57	4.10	-99.10
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)=N2)=C1	REAL300005728626	0	43	-2.0	-133.13	374.29	5.17	-127.96
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=N1	REAL300005728627	0	46	-2.0	-129.65	383.70	6.33	-123.32
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC([O-])=CC(Br)=C2)CC1	REAL300005728717	1	33	-2.0	-106.39	314.59	4.00	-102.39
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300005728766	0	33	-2.0	-100.30	315.40	4.07	-96.23
COC1=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300005728783	1	36	-2.0	-103.65	319.19	-1.36	-105.01
O=C(CCCC1=N[N-]N=N1)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728883	0	36	-2.0	-100.86	316.47	2.26	-98.60
O=C(CCCC1=NN=N[N-]1)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005728883	1	36	-2.0	-100.86	316.53	2.27	-98.59
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300005728922	0	33	-2.0	-99.70	306.54	3.93	-95.77
CC(C)C1=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=C([O-])C(C(C)C)=C1	REAL300005728923	1	51	-2.0	-123.36	407.17	8.45	-114.91
CCOC1=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300005728926	0	40	-2.0	-105.41	360.33	5.07	-100.34
COC1=CC=C(N2C=C([O-])C(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)=N2)C=C1	REAL300005728935	0	44	-2.0	-122.86	382.43	3.86	-119.00
C[N-]S(=O)(=O)C1=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=CO1	REAL300005728959	1	37	-2.0	-102.97	341.80	-0.96	-103.93
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC3=C(C=C(Br)O3)[N-]2)CC1	REAL300005729797	1	33	-2.0	-99.51	318.25	3.62	-95.89
CC1=NC2=C([N-]C(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)=C2)S1	REAL300005729807	1	35	-2.0	-104.27	320.14	2.69	-101.58
O=C([O-])C1CCS(=O)(=NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300005729832	0	33	-2.0	-108.69	321.25	5.62	-103.07
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1	REAL300007562113	1	42	-2.0	-103.53	371.95	3.11	-100.42
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562156	0	43	-2.0	-112.91	371.96	2.01	-110.90
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300007562556	0	31	-2.0	-134.65	302.27	4.18	-130.47
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CO2)=C1	REAL300007562558	1	25	-2.0	-95.60	272.82	1.46	-94.14
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300007562627	0	33	-2.0	-136.92	316.44	4.19	-132.73
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC=N2)=C1	REAL300007562630	1	27	-2.0	-100.24	287.03	1.52	-98.72
COC1=CC=CC=C1C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007562688	1	31	-2.0	-128.97	299.17	2.28	-126.69
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007562733	0	38	-2.0	-137.51	349.97	5.38	-132.13
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300007562849	0	38	-2.0	-137.03	351.03	5.33	-131.70
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562966	0	37	-2.0	-133.87	341.93	6.71	-127.16
O=C([O-])C1=CC=C(CC[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C=C1	REAL300007565746	1	37	-2.0	-98.35	350.12	5.95	-92.40
CCN1C=C(S(=O)(=O)[N-]CCC2=CC=C(C(=O)[O-])C=C2)C([N+](=O)[O-])=N1	REAL300007565887	1	39	-2.0	-105.40	364.26	6.37	-99.03
CN1C=C(S(=O)(=O)[N-]CCC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300007565938	1	37	-2.0	-100.69	352.57	4.33	-96.36
O=C([O-])C1=CC=C(CC[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C=C1	REAL300007565941	1	37	-2.0	-103.75	343.70	5.88	-97.87
CC1=C(S(=O)(=O)[N-]CCC2=CC=C(C(=O)[O-])C=C2)C(N)=NO1	REAL300007565991	1	35	-2.0	-92.85	320.37	2.90	-89.95
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300007567112	1	44	-2.0	-97.65	387.49	2.04	-95.61
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567156	0	45	-2.0	-106.52	388.50	0.68	-105.84
CC(C)C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007567171	1	33	-2.0	-130.59	302.27	4.35	-126.24
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300007567290	1	35	-2.0	-138.45	314.75	4.58	-133.87
CC(C)C([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007567339	1	33	-2.0	-129.47	310.07	2.18	-127.29
CC(C)C([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007567404	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	REAL300007567496	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	REAL300007567512	1	34	-2.0	-138.81	304.09	3.44	-135.37
CC1=NOC(C)=C1S(=O)(=O)[N-]C(CC(=O)[O-])C1=CC=C(C)C=C1	REAL300007567725	1	39	-2.0	-113.12	336.46	5.17	-107.95
CCN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(C)C=C2)C([N+](=O)[O-])=N1	REAL300007567801	1	42	-2.0	-136.85	378.40	7.33	-129.52
CC1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(C)C=C2)C(N)=NO1	REAL300007567903	0	38	-2.0	-118.70	339.34	3.82	-114.88
CC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C=C1	REAL300007567935	1	39	-2.0	-144.45	359.85	5.41	-139.04
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(=O)[O-])C(OC)=C1	REAL300007568699	1	39	-2.0	-95.01	347.10	-0.13	-95.14
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(=O)[O-])C(F)=C1	REAL300007568717	1	35	-2.0	-90.77	324.87	-0.21	-90.98
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568743	0	36	-2.0	-104.92	324.91	-1.12	-106.04
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300007568906	1	42	-2.0	-100.96	369.68	1.96	-99.00
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300007568933	1	38	-2.0	-96.25	347.49	1.97	-94.28
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568968	0	39	-2.0	-110.02	347.49	0.93	-109.09
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(F)=C1	REAL300007569260	1	44	-2.0	-98.72	390.04	3.25	-95.47
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569303	0	45	-2.0	-103.71	390.04	2.21	-101.50
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(OC)=C1	REAL300007570937	1	42	-2.0	-94.97	369.16	0.51	-94.46
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(F)=C1	REAL300007570965	1	38	-2.0	-104.30	346.93	0.42	-103.88
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300007574092	1	42	-2.0	-100.96	369.68	1.96	-99.00
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300007574119	1	38	-2.0	-96.25	347.49	1.97	-94.28
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574154	0	39	-2.0	-110.02	347.49	0.93	-109.09
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(OC)=C1	REAL300007575000	1	45	-2.0	-95.19	390.66	1.30	-93.89
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(OC)=C1	REAL300007576579	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	REAL300007576609	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-]	REAL300007576650	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-]	REAL300007576663	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	REAL300007576758	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-]	REAL300007576800	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	REAL300007576917	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	REAL300007576927	1	31	-2.0	-118.04	290.80	2.10	-115.94
CCCN(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007578933	0	37	-2.0	-136.80	326.15	6.90	-129.90
CCN1C=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300007579941	1	36	-2.0	-119.85	342.76	5.57	-114.28
CN1C=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300007579995	1	34	-2.0	-112.81	331.08	3.53	-109.28
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(F)=C1	REAL300007580570	1	42	-2.0	-100.04	381.19	0.45	-99.59
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580616	0	43	-2.0	-105.78	381.19	-0.48	-106.26
O=C([O-])COCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007580631	1	31	-2.0	-110.04	303.85	2.27	-107.77
CCN1C=C(S(=O)(=O)[N-]CCOCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007580755	1	33	-2.0	-122.09	318.00	2.69	-119.40
CN1C=C(S(=O)(=O)[N-]CCOCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007580805	1	31	-2.0	-114.59	306.32	0.65	-113.94
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCOCC(=O)[O-])=N1	REAL300007580873	0	30	-2.0	-124.01	296.03	0.71	-123.30
CC1=NC(S(=O)(=O)[N-]CCOCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007580970	1	37	-2.0	-126.09	343.73	0.78	-125.31
COC1=CC(F)=C(S(=O)(=O)[N-]CCOCC(=O)[O-])C(F)=C1	REAL300007580987	1	32	-2.0	-114.52	305.67	1.39	-113.13
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCC1	REAL300007596686	1	34	-2.0	-127.15	299.50	5.06	-122.09
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C([N+](=O)[O-])=N1	REAL300007596815	1	36	-2.0	-129.73	311.40	5.33	-124.40
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C(C(F)(F)F)=N1	REAL300007596866	1	34	-2.0	-126.09	301.95	3.44	-122.65
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCC1	REAL300007596867	1	34	-2.0	-133.86	293.08	4.99	-128.87
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=N1	REAL300007596945	0	33	-2.0	-148.18	291.68	3.24	-144.94
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(OC)=C1	REAL300007597168	1	42	-2.0	-94.97	369.16	0.51	-94.46
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(F)=C1	REAL300007597196	1	38	-2.0	-104.30	346.93	0.42	-103.88
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597232	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	REAL300007597342	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	REAL300007597412	1	33	-2.0	-125.48	309.22	0.77	-124.71
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(OC)=C1	REAL300007597494	1	45	-2.0	-95.25	381.75	0.85	-94.40
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(F)=C1	REAL300007597524	1	41	-2.0	-96.30	359.22	1.15	-95.15
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597565	0	42	-2.0	-105.69	360.25	-0.22	-105.91
CC(C)([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007597578	1	30	-2.0	-114.73	279.68	3.23	-111.50
CCN1C=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007597673	1	32	-2.0	-123.72	293.83	3.60	-120.12
CN1C=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007597715	1	30	-2.0	-117.21	283.50	1.66	-115.55
CC1=NC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007597832	1	36	-2.0	-131.84	319.56	1.76	-130.08
COC1=CC(F)=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])C(F)=C1	REAL300007597842	1	31	-2.0	-121.14	281.50	2.34	-118.80
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C(F)=C1	REAL300007599095	1	44	-2.0	-94.97	385.50	3.14	-91.83
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300007599139	0	45	-2.0	-107.35	381.98	2.00	-105.35
CCCC(C)([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007599689	1	36	-2.0	-118.55	315.24	4.34	-114.21
CCCC(C)([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007599817	1	38	-2.0	-128.47	329.38	4.72	-123.75
CCCC(C)([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007599866	1	36	-2.0	-118.87	319.06	2.81	-116.06
CCCC(C)([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007599867	1	36	-2.0	-124.36	308.80	4.27	-120.09
CCCC(C)([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007599946	0	35	-2.0	-134.29	307.39	2.76	-131.53
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C(F)=C1	REAL300007602705	1	42	-2.0	-103.28	374.80	3.33	-99.95
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602749	0	43	-2.0	-112.40	374.82	2.29	-110.11
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(F)=C1	REAL300007605116	1	44	-2.0	-102.51	378.60	3.04	-99.47
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605160	0	45	-2.0	-111.35	378.70	2.02	-109.33
O=C([O-])C([N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1=CC(F)=CC=C1F	REAL300007605679	1	33	-2.0	-150.34	314.90	7.15	-143.19
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC(F)=CC=C2F)C([N+](=O)[O-])=N1	REAL300007605770	1	36	-2.0	-143.13	346.74	6.46	-136.67
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(C(F)(F)F)=N1	REAL300007605811	1	34	-2.0	-136.62	336.64	4.58	-132.04
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(N)=NO1	REAL300007605868	1	32	-2.0	-124.47	305.56	3.15	-121.32
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300007605898	0	33	-2.0	-149.57	321.83	4.56	-145.01
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300007605995	1	33	-2.0	-134.46	318.77	2.67	-131.79
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C(F)=C1	REAL300007606145	1	44	-2.0	-114.48	376.83	1.76	-112.72
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300007606189	0	45	-2.0	-117.57	376.40	0.20	-117.37
CCC(C)([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007606204	1	33	-2.0	-116.03	293.72	3.58	-112.45
CCN1C=C(S(=O)(=O)[N-]C(C)(CC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007606320	1	35	-2.0	-126.87	307.89	3.96	-122.91
CCC(C)([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007606367	1	33	-2.0	-117.44	297.56	2.04	-115.40
CCC(C)([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007606432	0	32	-2.0	-132.76	285.90	2.00	-130.76
CCC(C)([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007606520	1	39	-2.0	-133.56	335.01	2.09	-131.47
CCN1C=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=CC=C2)C([N+](=O)[O-])=N1	REAL300007606820	1	39	-2.0	-134.57	351.51	6.41	-128.16
CN1C=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)=N1	REAL300007606862	1	37	-2.0	-126.96	339.83	4.40	-122.56
CC1=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=CC=C2)C(N)=NO1	REAL300007606911	1	35	-2.0	-116.70	307.46	2.95	-113.75
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300007606940	0	36	-2.0	-138.40	327.72	4.57	-133.83
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007608364	1	36	-2.0	-102.12	315.38	4.40	-97.72
CCN1C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007608485	1	38	-2.0	-110.09	329.53	4.78	-105.31
CN1C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007608528	1	36	-2.0	-104.70	319.20	2.82	-101.88
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007608529	1	36	-2.0	-108.10	308.97	4.33	-103.77
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=N1	REAL300007608601	0	35	-2.0	-116.92	307.55	2.80	-114.12
CC1=NC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007608698	1	42	-2.0	-117.27	355.26	2.93	-114.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F	REAL300007608848	1	44	-2.0	-106.30	390.03	3.58	-102.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300007608892	0	45	-2.0	-110.47	391.71	2.55	-107.92
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C(OC)=C1	REAL300007609344	1	45	-2.0	-101.29	391.42	2.85	-98.44
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C(F)=C1	REAL300007609374	1	41	-2.0	-101.89	369.23	2.86	-99.03
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300007609415	0	42	-2.0	-110.62	369.24	1.83	-108.79
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(F)=C1	REAL300007613701	1	44	-2.0	-93.92	372.53	1.56	-92.36
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613745	0	45	-2.0	-100.30	373.87	0.22	-100.08
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007613760	1	33	-2.0	-104.35	291.81	3.64	-100.71
CCN1C=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007613879	1	35	-2.0	-112.71	305.96	4.02	-108.69
CN1C=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])C(C(F)(F)F)=N1	REAL300007613928	1	33	-2.0	-107.11	295.63	2.07	-105.04
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=N1	REAL300007613993	0	32	-2.0	-119.17	282.73	2.13	-117.04
CC(C)(C)[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007629642	1	36	-2.0	-130.69	318.08	4.90	-125.79
CCN1C=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)C([N+](=O)[O-])=N1	REAL300007629774	1	38	-2.0	-135.54	337.19	4.76	-130.78
CN1C=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)C(C(F)(F)F)=N1	REAL300007629825	1	36	-2.0	-130.56	319.84	3.22	-127.34
CC(C)(C)[C@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007629826	1	36	-2.0	-135.26	316.74	4.28	-130.98
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300007629905	0	35	-2.0	-144.94	315.34	2.80	-142.14
CCC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007630230	1	36	-2.0	-103.62	306.18	4.45	-99.17
CCN1C=C(S(=O)(=O)[N-]C(C)(CC)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007630351	1	38	-2.0	-108.29	321.85	4.82	-103.47
CCC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007630394	1	36	-2.0	-106.97	310.95	2.81	-104.16
CCC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007630395	1	36	-2.0	-110.27	300.71	4.32	-105.95
CCC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007630467	0	35	-2.0	-120.27	298.35	2.86	-117.41
CCC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300007630564	1	42	-2.0	-119.15	347.01	2.91	-116.24
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCC1	REAL300007631990	1	34	-2.0	-123.53	307.52	4.65	-118.88
O=C([O-])CC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC1	REAL300007633695	1	34	-2.0	-123.23	302.74	5.42	-117.81
CCN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300007633824	1	36	-2.0	-133.36	324.88	5.23	-128.13
CN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300007633875	1	34	-2.0	-124.95	314.52	3.17	-121.78
O=C([O-])CC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CC1	REAL300007633876	1	34	-2.0	-129.75	296.31	5.35	-124.40
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC(=O)[O-])C2CC2)=N1	REAL300007633954	0	33	-2.0	-144.62	295.03	3.72	-140.90
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007634298	1	36	-2.0	-97.53	333.84	4.64	-92.89
CCN1C=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007634423	1	38	-2.0	-105.42	347.99	5.06	-100.36
CN1C=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007634468	1	36	-2.0	-100.32	336.31	3.02	-97.30
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007634469	1	36	-2.0	-103.21	327.43	4.57	-98.64
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCCCCC(=O)[O-])=N1	REAL300007634541	0	35	-2.0	-112.74	326.02	3.08	-109.66
CC1=NC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007634644	1	42	-2.0	-111.76	373.72	3.15	-108.61
COC1=CC(F)=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C(F)=C1	REAL300007634663	1	37	-2.0	-103.26	335.66	3.76	-99.50
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(=O)[O-])C(OC)=C1	REAL300007634758	1	39	-2.0	-95.01	347.10	-0.13	-95.14
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(=O)[O-])C(F)=C1	REAL300007634777	1	35	-2.0	-90.77	324.87	-0.21	-90.98
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634804	0	36	-2.0	-104.92	324.91	-1.12	-106.04
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C(OC)=C1	REAL300007634982	1	45	-2.0	-106.02	396.76	1.39	-104.63
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(OC)=C1	REAL300007635389	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	REAL300007635417	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-]	REAL300007635453	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-]	REAL300007635563	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	REAL300007635633	1	33	-2.0	-133.90	304.70	0.98	-132.92
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(F)=C1	REAL300007637635	1	44	-2.0	-100.36	379.33	3.35	-97.01
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637679	0	45	-2.0	-104.59	377.56	2.24	-102.35
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300007640953	1	42	-2.0	-100.04	375.83	0.47	-99.57
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(F)=C1	REAL300007640981	1	38	-2.0	-102.91	353.11	0.75	-102.16
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(OC)=C1	REAL300007645241	1	42	-2.0	-95.36	360.88	0.47	-94.89
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(F)=C1	REAL300007645269	1	38	-2.0	-91.00	338.85	0.27	-90.73
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645305	0	39	-2.0	-103.20	336.12	-0.55	-103.75
C[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007645415	1	27	-2.0	-119.38	267.29	0.85	-118.53
CC1=NC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007645485	1	33	-2.0	-133.94	304.69	0.96	-132.98
CC1=C(S(=O)(=O)[N-]CC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C(N)=NO1	REAL300007645626	1	44	-2.0	-115.61	376.75	5.82	-109.79
CCN1N=CC(S(=O)(=O)[N-]CC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=N1	REAL300007645649	1	45	-2.0	-130.92	400.20	5.31	-125.61
CC1=C(S(=O)(=O)[N-]CC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C(N)=NO1	REAL300007645771	1	44	-2.0	-118.50	374.16	5.73	-112.77
CCN1N=CC(S(=O)(=O)[N-]CC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=N1	REAL300007645794	1	45	-2.0	-132.85	396.02	5.14	-127.71
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300007650764	1	44	-2.0	-97.65	387.49	2.04	-95.61
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650808	0	45	-2.0	-106.52	388.50	0.68	-105.84
CC(C)C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007650823	1	33	-2.0	-130.59	302.27	4.35	-126.24
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300007650942	1	35	-2.0	-138.45	314.75	4.58	-133.87
CC(C)C([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007650991	1	33	-2.0	-129.47	310.07	2.18	-127.29
CC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)(C(=O)[O-])C1CC1	REAL300007651950	1	34	-2.0	-123.89	309.94	5.17	-118.72
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(OC)=C1	REAL300007652729	1	43	-2.0	-118.04	383.43	1.00	-117.04
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(F)=C1	REAL300007652759	1	39	-2.0	-111.54	346.82	1.54	-110.00
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652799	0	40	-2.0	-105.82	357.45	-0.37	-106.19
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300007652898	1	30	-2.0	-134.07	285.86	3.89	-130.18
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300007652936	1	28	-2.0	-125.25	274.15	2.10	-123.15
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(F)=C1	REAL300007653683	1	42	-2.0	-115.91	355.54	1.94	-113.97
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653727	0	43	-2.0	-109.19	369.47	0.84	-108.35
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCC1	REAL300007653741	1	31	-2.0	-125.89	285.85	4.32	-121.57
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)C([N+](=O)[O-])=N1	REAL300007653857	1	33	-2.0	-129.84	300.00	4.73	-125.11
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)C(C(F)(F)F)=N1	REAL300007653906	1	31	-2.0	-125.39	288.31	2.71	-122.68
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=N1	REAL300007653965	0	30	-2.0	-143.53	276.89	2.58	-140.95
COCC(C)([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007671111	1	34	-2.0	-119.57	311.82	2.82	-116.75
CCN1C=C(S(=O)(=O)[N-]C(C)(COC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007671249	1	36	-2.0	-129.90	325.92	3.21	-126.69
COCC(C)([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007671302	1	34	-2.0	-120.44	315.63	1.24	-119.20
COCC(C)([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007671303	1	34	-2.0	-126.49	305.41	2.75	-123.74
COCC(C)([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007671381	0	33	-2.0	-135.15	303.85	1.34	-133.81
COCC(C)([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007671487	1	40	-2.0	-136.35	351.94	1.32	-135.03
COCC(C)([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007671506	1	35	-2.0	-125.95	313.50	2.03	-123.92
COC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2C)C(OC)=C1	REAL300007671630	1	44	-2.0	-121.47	371.18	3.44	-118.03
COC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(C)ON=C2N)C(OC)=C1	REAL300007671693	0	43	-2.0	-119.64	375.63	1.89	-117.75
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(OC)C=C2OC)=N1	REAL300007671723	1	44	-2.0	-134.20	388.82	1.40	-132.80
COC1=CC=C(C(CC(=O)[O-])[N-]S(=O)(=O)C2=C(Cl)OC=C2)C(OC)=C1	REAL300007671728	1	39	-2.0	-129.47	367.70	2.97	-126.50
CC1=NOC(C)=C1S(=O)(=O)[N-]C(CC(=O)[O-])C1=CC=CC=C1C	REAL300007671907	1	39	-2.0	-116.77	338.54	5.29	-111.48
CCN1C=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=CC=C2C)C([N+](=O)[O-])=N1	REAL300007671983	1	42	-2.0	-126.92	371.45	7.34	-119.58
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCOC1	REAL300007674145	1	32	-2.0	-122.54	290.01	2.48	-120.06
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOC2)C([N+](=O)[O-])=N1	REAL300007674273	1	34	-2.0	-131.93	303.18	2.63	-129.30
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOC2)C(C(F)(F)F)=N1	REAL300007674322	1	32	-2.0	-125.19	293.87	0.85	-124.34
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCOC1	REAL300007674323	1	32	-2.0	-131.90	283.64	2.40	-129.50
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOC2)=N1	REAL300007674402	0	31	-2.0	-139.15	280.97	0.96	-138.19
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOC2)=C(C2=CC=CC=C2)O1	REAL300007674501	1	38	-2.0	-137.79	327.17	1.23	-136.56
CC1=C(S(=O)(=O)[N-]C(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C(N)=NO1	REAL300007674650	1	35	-2.0	-115.56	348.47	4.75	-110.81
CCN1N=CC(S(=O)(=O)[N-]C(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=N1	REAL300007674671	1	36	-2.0	-123.22	360.80	4.29	-118.93
COC1=CC=CC=C1CC(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007674844	1	44	-2.0	-136.96	392.02	5.96	-131.00
COC1=CC=CC=C1CC(C[N-]S(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300007674879	1	42	-2.0	-121.01	362.81	3.72	-117.29
COC1=CC=CC=C1CC(C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007674895	0	43	-2.0	-145.03	383.48	5.30	-139.73
CCN1N=CC(S(=O)(=O)[N-]CC(CC2=CC=CC=C2OC)C(=O)[O-])=N1	REAL300007674953	1	43	-2.0	-125.55	374.23	2.41	-123.14
C=CC(C)C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007675142	1	34	-2.0	-125.84	321.09	4.30	-121.54
C=CC(C)C([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007675271	1	36	-2.0	-131.99	330.91	5.36	-126.63
C=CC(C)C([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007675322	1	34	-2.0	-127.08	319.10	3.32	-123.76
C=CC(C)C([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007675323	1	34	-2.0	-133.70	303.68	4.82	-128.88
C=CC(C)C([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007675401	0	33	-2.0	-148.49	308.94	3.39	-145.10
C=CC(C)C([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007675508	1	40	-2.0	-141.02	357.03	2.71	-138.31
C=CC(C)C([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007675527	1	35	-2.0	-136.75	318.58	4.03	-132.72
O=C([O-])C(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)OC1=CC=C(F)C=C1	REAL300007675669	1	38	-2.0	-112.45	363.59	5.51	-106.94
O=C([O-])C(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)OC1=CC=C(F)C=C1	REAL300007675794	1	38	-2.0	-118.83	357.16	5.44	-113.39
CC1=C(S(=O)(=O)[N-]CC(OC2=CC=C(F)C=C2)C(=O)[O-])C(N)=NO1	REAL300007675841	1	36	-2.0	-106.27	333.84	2.43	-103.84
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC(OC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300007675861	0	37	-2.0	-128.76	354.50	4.03	-124.73
CCN1N=CC(S(=O)(=O)[N-]CC(OC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300007675942	1	37	-2.0	-114.52	348.26	1.89	-112.63
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(F)=C1	REAL300007676735	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	REAL300007676779	0	43	-2.0	-120.57	369.31	1.28	-119.29
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(F)=C1	REAL300007679512	1	42	-2.0	-106.57	376.88	2.11	-104.46
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679556	0	43	-2.0	-121.65	382.54	0.82	-120.83
O=C([O-])C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC1	REAL300007679570	1	31	-2.0	-129.87	291.31	4.43	-125.44
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300007679686	1	33	-2.0	-139.59	307.28	4.69	-134.90
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300007679735	1	31	-2.0	-131.98	296.53	2.77	-129.21
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=N1	REAL300007679794	0	30	-2.0	-151.72	283.45	2.64	-149.08
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300007679878	1	37	-2.0	-147.21	331.19	2.94	-144.27
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CC2)C(F)=C1	REAL300007679893	1	32	-2.0	-140.19	293.13	3.52	-136.67
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(F)=C1	REAL300007684475	1	44	-2.0	-95.69	383.84	1.78	-93.91
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684519	0	45	-2.0	-100.53	382.66	0.81	-99.72
CC(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)CC(=O)[O-]	REAL300007684534	1	33	-2.0	-101.77	306.69	3.64	-98.13
CCN1C=C(S(=O)(=O)[N-]CC(C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007684653	1	35	-2.0	-111.21	320.84	4.06	-107.15
CC(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)CC(=O)[O-]	REAL300007684702	1	33	-2.0	-105.38	309.15	2.02	-103.36
CC(C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])CC(=O)[O-]	REAL300007684767	0	32	-2.0	-117.64	298.87	2.08	-115.56
CC1=NC(S(=O)(=O)[N-]CC(C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007684859	1	39	-2.0	-117.07	346.57	2.15	-114.92
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C)CC(=O)[O-])C(F)=C1	REAL300007684875	1	34	-2.0	-108.16	308.51	2.75	-105.41
CC1=C(C(=O)[O-])SC(C[N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=N1	REAL300007686892	1	32	-2.0	-110.13	317.24	4.15	-105.98
CC1=NOC(C)=C1S(=O)(=O)[N-]CC1=NC(C)=C(C(=O)[O-])S1	REAL300007686925	0	32	-2.0	-92.39	309.21	1.46	-90.93
CCCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007687470	1	36	-2.0	-128.63	327.92	5.37	-123.26
CCCCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007687595	1	38	-2.0	-132.69	340.14	5.85	-126.84
CCCCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007687640	1	36	-2.0	-127.80	328.61	3.82	-123.98
CCCCC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007687641	1	36	-2.0	-135.54	321.51	5.30	-130.24
CCCCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007687713	0	35	-2.0	-150.31	320.09	3.82	-146.49
CCCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007687816	1	42	-2.0	-149.32	367.80	3.87	-145.45
CCCCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007687835	1	37	-2.0	-131.92	334.61	3.89	-128.03
CCC(C)C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007707472	1	36	-2.0	-129.49	317.64	4.92	-124.57
CCC(C)C([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007707593	1	38	-2.0	-138.61	330.51	5.11	-133.50
CCC(C)C([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007707636	1	36	-2.0	-127.55	326.74	2.74	-124.81
CCC(C)C([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007707637	1	36	-2.0	-136.38	311.22	4.86	-131.52
CCC(C)C([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007707709	0	35	-2.0	-152.39	312.38	3.44	-148.95
CCC(C)C([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007707806	1	42	-2.0	-142.57	362.40	2.82	-139.75
C=CCC(NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300007708563	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-]	REAL300007708606	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-]	REAL300007708620	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-]	REAL300007708729	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-]	REAL300007708772	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-]	REAL300007708827	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-]	REAL300007708908	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-]	REAL300007708923	1	32	-2.0	-136.53	300.06	3.42	-133.11
CCC([N-]S(=O)(=O)C1=C(C)ON=C1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710802	1	39	-2.0	-115.58	337.68	6.39	-109.19
CCC([N-]S(=O)(=O)C1=C(C)ON=C1N)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710867	0	38	-2.0	-113.97	333.31	4.88	-109.09
CCN1N=CC(S(=O)(=O)[N-]C(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300007710919	1	39	-2.0	-124.40	347.27	4.48	-119.92
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(OC)=C1	REAL300007711502	1	45	-2.0	-101.43	383.60	2.24	-99.19
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(F)=C1	REAL300007711532	1	41	-2.0	-111.11	361.64	2.22	-108.89
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711573	0	42	-2.0	-117.57	356.20	1.05	-116.52
COCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007713230	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	REAL300007713359	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-]	REAL300007713406	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-]	REAL300007713407	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-]	REAL300007713478	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-]	REAL300007713582	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-]	REAL300007713601	1	35	-2.0	-128.88	325.29	1.40	-127.48
COC1=CC(C(=O)[O-])=CC=C1CC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007713748	1	41	-2.0	-100.45	378.37	5.29	-95.16
CCN1C=C(S(=O)(=O)[N-]CCC2=CC=C(C(=O)[O-])C=C2OC)C([N+](=O)[O-])=N1	REAL300007713841	1	43	-2.0	-107.59	392.52	5.71	-101.88
COC1=CC(C(=O)[O-])=CC=C1CC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007713876	1	41	-2.0	-105.97	371.97	5.22	-100.75
COC1=CC(C(=O)[O-])=CC=C1CC[N-]S(=O)(=O)C1=C(C)ON=C1N	REAL300007713927	1	39	-2.0	-95.11	348.63	2.22	-92.89
COC1=CC(C(=O)[O-])=CC=C1CC[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007713948	0	40	-2.0	-114.71	369.30	3.82	-110.89
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(F)=C1	REAL300007715305	1	44	-2.0	-96.90	388.40	1.97	-94.93
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715349	0	45	-2.0	-103.05	391.75	0.77	-102.28
CC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(C)C(=O)[O-]	REAL300007715364	1	33	-2.0	-116.59	300.91	3.80	-112.79
CCN1C=C(S(=O)(=O)[N-]C(C)C(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007715483	1	35	-2.0	-114.81	311.39	3.97	-110.84
CC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(C)C(=O)[O-]	REAL300007715532	1	33	-2.0	-120.36	306.96	2.14	-118.22
CC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(C)C(=O)[O-]	REAL300007715597	0	32	-2.0	-124.55	289.80	2.06	-122.49
CC1=NC(S(=O)(=O)[N-]C(C)C(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007715689	1	39	-2.0	-122.77	337.13	2.10	-120.67
COC1=CC(F)=C(S(=O)(=O)[N-]C(C)C(C)C(=O)[O-])C(F)=C1	REAL300007715705	1	34	-2.0	-115.14	305.03	2.91	-112.23
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C(F)=C1	REAL300007716440	1	42	-2.0	-100.01	387.26	-0.08	-100.09
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716485	0	43	-2.0	-108.74	388.26	-1.44	-110.18
COCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007716500	1	31	-2.0	-131.82	297.15	2.12	-129.70
CCN1C=C(S(=O)(=O)[N-]C(COC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007716617	1	33	-2.0	-139.65	309.63	2.34	-137.31
COCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007716661	1	31	-2.0	-128.19	306.03	-0.06	-128.25
COCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007716724	0	30	-2.0	-150.98	289.31	0.58	-150.40
COCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007716818	1	37	-2.0	-142.77	341.88	0.03	-142.74
COCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007716835	1	32	-2.0	-132.23	304.04	0.63	-131.60
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007723629	1	34	-2.0	-122.17	305.80	4.68	-117.49
CCN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007723758	1	36	-2.0	-130.05	319.21	5.33	-124.72
CN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007723809	1	34	-2.0	-122.54	310.05	3.31	-119.23
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007723810	1	34	-2.0	-129.57	299.38	4.61	-124.96
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300007723888	0	33	-2.0	-133.88	297.26	3.37	-130.51
CC1=NC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007723995	1	40	-2.0	-135.96	343.02	3.42	-132.54
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C(OC)=C1	REAL300007725767	1	45	-2.0	-101.29	391.42	2.85	-98.44
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C(F)=C1	REAL300007725796	1	41	-2.0	-101.89	369.23	2.86	-99.03
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300007725836	0	42	-2.0	-110.62	369.24	1.83	-108.79
O=C([O-])C(CF)[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007727943	1	29	-2.0	-106.94	285.08	4.50	-102.44
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C(OC)=C1	REAL300007727965	1	42	-2.0	-98.66	379.09	0.79	-97.87
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C(F)=C1	REAL300007727996	1	38	-2.0	-100.42	356.56	1.01	-99.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F	REAL300007748673	1	44	-2.0	-106.30	390.03	3.58	-102.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300007748717	0	45	-2.0	-110.47	391.71	2.55	-107.92
CCCC(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007749511	1	36	-2.0	-121.82	331.67	4.46	-117.36
CCCC(C[N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007749643	1	38	-2.0	-136.73	345.81	4.88	-131.85
CCCC(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007749694	1	36	-2.0	-123.33	328.43	2.88	-120.45
CCCC(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007749695	1	36	-2.0	-126.09	320.34	4.37	-121.72
CCCC(C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007749774	0	35	-2.0	-137.06	318.93	2.88	-134.18
CCCC(C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007749879	1	42	-2.0	-141.75	371.54	2.97	-138.78
CCCC(C[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007749898	1	37	-2.0	-129.28	333.49	3.58	-125.70
O=C([O-])C(CC1CC1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007752560	1	34	-2.0	-128.69	321.56	4.77	-123.92
CCN1C=C(S(=O)(=O)[N-]C(CC2CC2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007752689	1	36	-2.0	-132.40	329.26	5.80	-126.60
CN1C=C(S(=O)(=O)[N-]C(CC2CC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007752740	1	34	-2.0	-127.69	318.93	3.81	-123.88
O=C([O-])C(CC1CC1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007752741	1	34	-2.0	-139.05	310.16	5.29	-133.76
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2CC2)C(=O)[O-])=N1	REAL300007752819	0	33	-2.0	-145.48	305.87	3.64	-141.84
CC1=NC(S(=O)(=O)[N-]C(CC2CC2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007752926	1	40	-2.0	-135.99	354.14	4.05	-131.94
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2CC2)C(=O)[O-])C(F)=C1	REAL300007752945	1	35	-2.0	-139.41	318.85	4.41	-135.00
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300007753092	1	42	-2.0	-98.72	374.39	1.71	-97.01
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753136	0	43	-2.0	-102.66	383.07	0.60	-102.06
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007753150	1	31	-2.0	-107.14	296.79	3.63	-103.51
CCN1C=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007753266	1	33	-2.0	-112.55	310.56	4.04	-108.51
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007753315	1	31	-2.0	-111.03	299.23	2.00	-109.03
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300007753374	0	30	-2.0	-122.57	287.34	2.14	-120.43
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007753458	1	37	-2.0	-121.53	336.37	2.14	-119.39
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300007753473	1	32	-2.0	-113.51	298.20	2.73	-110.78
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(F)=C1	REAL300007754644	1	44	-2.0	-93.81	373.67	2.79	-91.02
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754688	0	45	-2.0	-114.96	373.37	1.66	-113.30
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(F)=C1	REAL300007891376	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	REAL300007891419	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	REAL300007891433	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	REAL300007891542	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	REAL300007891585	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	REAL300007891640	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	REAL300007891721	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	REAL300007891736	1	32	-2.0	-126.56	296.26	2.85	-123.71
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300007891859	0	44	-2.0	-135.77	366.20	6.29	-129.48
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C=C1C(=O)[O-]	REAL300007891953	0	38	-2.0	-137.45	328.75	6.11	-131.34
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3CC3C2)=C1	REAL300007891956	1	32	-2.0	-95.73	297.04	3.71	-92.02
COC1=CC=CC2=C1OCCC2[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007899857	1	36	-2.0	-125.74	330.32	2.93	-122.81
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300007899995	0	35	-2.0	-136.08	333.29	3.52	-132.56
O=C([O-])[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007907333	1	32	-2.0	-121.81	299.06	2.84	-118.97
CCN1C=C(S(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007907465	1	34	-2.0	-130.96	313.05	3.23	-127.73
CN1C=C(S(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007907516	1	32	-2.0	-123.70	301.76	1.23	-122.47
O=C([O-])[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007907517	1	32	-2.0	-129.47	292.95	2.77	-126.70
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)[O-])=N1	REAL300007907596	0	31	-2.0	-134.75	291.37	1.25	-133.50
CC1=NC(S(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007907701	1	38	-2.0	-132.03	337.12	1.51	-130.52
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)[O-])C(F)=C1	REAL300007907720	1	33	-2.0	-125.11	300.67	1.92	-123.19
COCC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907816	1	38	-2.0	-125.60	346.03	2.38	-123.22
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1C(=O)[O-]	REAL300007907952	0	35	-2.0	-145.73	313.73	6.40	-139.33
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300007931074	1	45	-2.0	-99.46	384.03	2.23	-97.23
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(F)=C1	REAL300007931104	1	41	-2.0	-92.95	361.68	2.20	-90.75
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931145	0	42	-2.0	-103.52	361.73	1.19	-102.33
COC1=CC=C([C@H](C)[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])C(OC)=C1	REAL300007931503	1	38	-2.0	-126.91	342.73	2.63	-124.28
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1C(=O)[O-]	REAL300007931640	0	39	-2.0	-135.59	334.71	5.52	-130.07
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007939204	1	34	-2.0	-122.17	305.80	4.68	-117.49
CCN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007939333	1	36	-2.0	-130.05	319.21	5.33	-124.72
CN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007939384	1	34	-2.0	-122.54	310.05	3.31	-119.23
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007939385	1	34	-2.0	-129.57	299.38	4.61	-124.96
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300007939463	0	33	-2.0	-133.88	297.26	3.37	-130.51
CC1=NC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007939570	1	40	-2.0	-135.96	343.02	3.42	-132.54
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300007939589	1	35	-2.0	-127.41	308.31	3.70	-123.71
COC1=CC=C(C2([N-]S(=O)(=O)C3=CSN=C3C(=O)[O-])CCOCC2)C=C1	REAL300007939665	1	42	-2.0	-113.99	357.48	3.07	-110.92
O=C([O-])C1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1C(=O)[O-]	REAL300007939763	0	46	-2.0	-142.73	375.62	6.14	-136.59
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939861	1	28	-2.0	-96.63	321.66	4.22	-92.41
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007939965	0	48	-2.0	-134.15	395.68	8.93	-125.22
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007950874	1	34	-2.0	-122.17	305.80	4.68	-117.49
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(F)=C1	REAL300007953091	1	42	-2.0	-100.04	381.19	0.45	-99.59
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953137	0	43	-2.0	-105.78	381.19	-0.48	-106.26
O=C([O-])COCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007953152	1	31	-2.0	-110.04	303.85	2.27	-107.77
CCN1C=C(S(=O)(=O)[N-]CCOCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007953276	1	33	-2.0	-122.09	318.00	2.69	-119.40
CN1C=C(S(=O)(=O)[N-]CCOCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007953326	1	31	-2.0	-114.59	306.32	0.65	-113.94
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCOCC(=O)[O-])=N1	REAL300007953394	0	30	-2.0	-124.01	296.03	0.71	-123.30
CC1=NC(S(=O)(=O)[N-]CCOCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007953491	1	37	-2.0	-126.09	343.73	0.78	-125.31
COC1=CC(F)=C(S(=O)(=O)[N-]CCOCC(=O)[O-])C(F)=C1	REAL300007953508	1	32	-2.0	-114.52	305.67	1.39	-113.13
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC2CC2C1	REAL300007953635	0	41	-2.0	-134.04	353.53	6.99	-127.05
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC2CC2C1	REAL300007953639	1	35	-2.0	-95.63	325.96	4.32	-91.31
CC(C)(F)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007953701	0	33	-2.0	-136.85	307.67	4.59	-132.26
CC(C)(F)C[N-]S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007953709	1	30	-2.0	-89.64	309.40	3.84	-85.80
CC1=C(C(=O)[O-])OC(C[N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300007953953	1	33	-2.0	-115.68	314.33	5.42	-110.26
CC1=C(C(=O)[O-])OC(C[N-]S(=O)(=O)C2=C(C)ON=C2C)=C1	REAL300007953987	0	33	-2.0	-98.81	306.30	2.74	-96.07
CC(C)(C)[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007959986	1	36	-2.0	-130.69	318.08	4.90	-125.79
C=C(C)CC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007961889	1	34	-2.0	-126.88	324.60	4.42	-122.46
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(OC)=C1	REAL300007972645	1	45	-2.0	-101.86	380.70	1.28	-100.58
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(F)=C1	REAL300007972675	1	41	-2.0	-97.11	358.91	1.09	-96.02
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972716	0	42	-2.0	-106.15	355.96	0.27	-105.88
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007972729	1	30	-2.0	-116.30	284.31	3.24	-113.06
CCN1C=C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007972824	1	32	-2.0	-120.76	298.45	3.64	-117.12
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007972866	1	30	-2.0	-116.68	286.77	1.63	-115.05
CC1=NC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007972983	1	36	-2.0	-132.10	322.58	1.96	-130.14
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])C(F)=C1	REAL300007972993	1	31	-2.0	-124.01	286.11	2.36	-121.65
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007981940	1	36	-2.0	-131.58	323.62	5.10	-126.48
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(F)=C1	REAL300007985081	1	42	-2.0	-105.62	380.17	0.19	-105.43
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985127	0	43	-2.0	-111.69	380.09	-0.74	-112.43
CO[C@@H](C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007985142	1	31	-2.0	-112.00	302.65	2.04	-109.96
CCN1C=C(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007985266	1	33	-2.0	-121.17	316.79	2.46	-118.71
CO[C@@H](C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007985316	1	31	-2.0	-115.12	304.88	0.42	-114.70
CO[C@@H](C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007985384	0	30	-2.0	-128.33	293.53	0.56	-127.77
CO[C@@H](C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007985481	1	37	-2.0	-124.12	340.89	0.77	-123.35
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])C(F)=C1	REAL300007985498	1	32	-2.0	-120.04	304.23	1.16	-118.88
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300007985665	0	40	-2.0	-134.44	346.70	6.34	-128.10
CC1(C)CC1(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007985668	1	34	-2.0	-95.25	320.72	3.79	-91.46
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCC3(CCOCC3)CO2)=C1	REAL300007985752	1	43	-2.0	-98.83	370.16	1.79	-97.04
O=C([O-])[C@@H](C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)OC1=CC=CC=C1	REAL300007985884	1	38	-2.0	-120.62	357.20	5.42	-115.20
O=C([O-])C(CC1CC1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007991523	1	34	-2.0	-128.69	321.56	4.77	-123.92
CCN1C=C(S(=O)(=O)[N-]C(CC2CC2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007991652	1	36	-2.0	-132.40	329.26	5.80	-126.60
CN1C=C(S(=O)(=O)[N-]C(CC2CC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007991703	1	34	-2.0	-127.69	318.93	3.81	-123.88
O=C([O-])C(CC1CC1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007991704	1	34	-2.0	-139.05	310.16	5.29	-133.76
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2CC2)C(=O)[O-])=N1	REAL300007991782	0	33	-2.0	-145.48	305.87	3.64	-141.84
CC1=NC(S(=O)(=O)[N-]C(CC2CC2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007991889	1	40	-2.0	-135.99	354.14	4.05	-131.94
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2CC2)C(=O)[O-])C(F)=C1	REAL300007991908	1	35	-2.0	-139.41	318.85	4.41	-135.00