COCC1(C(=O)[O-])CN(CC(=O)N[N-]C(=O)C2=CC=CS2)CCO1	REAL300010106050	1	41	-2.0	-114.31	358.87	0.62	-113.69
COCC1(C(=O)[O-])CN(CC(=O)[N-]C2=NC3=CC=CC=C3S2)CCO1	REAL300010106088	1	42	-2.0	-103.21	360.52	3.61	-99.60
COCC1(C(=O)[O-])CN(CC2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300010106114	0	39	-2.0	-105.29	324.04	5.67	-99.62
COCC1(C(=O)[O-])CN(CC2=CC([O-])=CC=C2[N+](=O)[O-])CCO1	REAL300010106211	0	39	-2.0	-100.97	323.80	3.75	-97.22
COCC1(C(=O)[O-])CN(C2CCN(CC(=O)[O-])C2=O)CCO1	REAL300010106269	0	40	-2.0	-121.82	315.09	2.87	-118.95
COCC1(C(=O)[O-])CN(CC2=NC(C(=O)[O-])=CO2)CCO1	REAL300010106577	0	35	-2.0	-116.92	301.06	0.19	-116.73
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010765464	1	32	-2.0	-95.49	304.52	0.29	-95.20
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010765541	0	29	-2.0	-100.44	292.12	2.63	-97.81
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010765541	1	29	-2.0	-100.37	292.18	2.63	-97.74
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300010765555	1	42	-2.0	-100.96	369.68	1.96	-99.00
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765557	0	39	-2.0	-110.02	347.49	0.93	-109.09
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300010768002	1	40	-2.0	-98.00	377.11	4.53	-93.47
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=NC=C[N-]1	REAL300010768165	0	34	-2.0	-104.29	314.85	4.39	-99.90
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010768212	0	38	-2.0	-106.61	343.27	6.92	-99.69
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010768247	0	45	-2.0	-105.24	376.51	7.64	-97.60
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010768287	0	40	-2.0	-108.08	365.10	8.68	-99.40
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010768360	0	38	-2.0	-106.61	343.27	6.92	-99.69
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300010768402	1	43	-2.0	-110.57	390.41	6.03	-104.54
CCOC(=O)C1=CC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=N[N-]1	REAL300010768402	1	43	-2.0	-110.57	390.55	6.02	-104.55
CC1=CC=C([O-])C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300010768517	1	41	-2.0	-114.30	358.27	7.52	-106.78
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010768532	1	27	-2.0	-111.78	293.05	4.71	-107.07
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010768557	1	24	-2.0	-111.05	270.97	2.94	-108.11
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010768561	1	27	-2.0	-111.64	288.48	4.61	-107.03
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010768563	0	27	-2.0	-111.52	280.63	3.51	-108.01
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010768565	1	27	-2.0	-111.03	280.63	3.51	-107.52
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010768614	1	31	-2.0	-123.20	285.79	3.22	-119.98
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C(C)CC(=O)[O-])C(F)=C1Cl	REAL300010768624	0	34	-2.0	-127.74	326.23	2.58	-125.16
COC(=O)C1=CC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C(Br)O1	REAL300010768629	1	30	-2.0	-106.16	307.47	2.19	-103.97
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010768643	0	29	-2.0	-134.84	271.93	4.58	-130.26
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010768646	1	27	-2.0	-121.48	267.76	3.72	-117.76
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010768655	0	29	-2.0	-116.79	294.67	5.46	-111.33
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010768685	1	29	-2.0	-131.62	280.22	5.10	-126.52
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010768733	1	33	-2.0	-129.24	294.71	1.80	-127.44
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010768745	1	33	-2.0	-135.43	302.26	1.25	-134.18
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010768769	1	29	-2.0	-121.73	282.68	4.80	-116.93
COC(=O)C1=CC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C(F)C=C1Br	REAL300010768800	1	33	-2.0	-113.25	324.66	3.99	-109.26
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)CC(=O)[O-])O1	REAL300010768824	1	33	-2.0	-112.50	309.54	2.51	-109.99
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010768829	1	30	-2.0	-121.75	283.78	4.85	-116.90
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010768830	1	29	-2.0	-118.26	287.22	4.90	-113.36
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010768833	1	24	-2.0	-116.46	260.44	2.37	-114.09
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010768836	1	26	-2.0	-110.15	277.75	2.11	-108.04
CCN1C=C(S(=O)(=O)[N-]C(C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010768840	1	32	-2.0	-120.82	298.45	3.64	-117.18
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010768841	1	29	-2.0	-124.14	281.47	4.16	-119.98
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010768844	1	29	-2.0	-121.67	287.24	4.90	-116.77
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010768847	1	35	-2.0	-113.02	322.79	-0.34	-113.36
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010768862	1	24	-2.0	-111.08	275.61	3.05	-108.03
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010768893	0	28	-2.0	-116.22	277.43	3.45	-112.77
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010768933	0	32	-2.0	-95.03	306.84	1.84	-93.19
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010768933	1	32	-2.0	-95.04	306.90	1.82	-93.22
CC1=C(Br)SC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=N1	REAL300010768936	0	26	-2.0	-112.42	276.29	1.05	-111.37
CCCCCCN1C=C(S(=O)(=O)[N-]C(C)CC(=O)[O-])C(=O)NC1=O	REAL300010768943	1	45	-2.0	-117.19	384.35	3.51	-113.68
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010768944	0	27	-2.0	-107.15	275.37	3.26	-103.89
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(OC)=C1	REAL300010768949	1	45	-2.0	-107.46	388.36	1.53	-105.93
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768951	0	42	-2.0	-106.26	371.51	0.11	-106.15
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010768957	1	26	-2.0	-114.79	267.13	2.23	-112.56
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010768962	1	27	-2.0	-108.98	281.73	4.32	-104.66
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010768963	1	26	-2.0	-105.85	273.56	1.98	-103.87
COC(=O)C1=C(S(=O)(=O)[N-]C(C)CC(=O)[O-])SC=N1	REAL300010768991	0	29	-2.0	-121.29	288.31	0.55	-120.74
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010769003	1	24	-2.0	-112.11	252.51	1.52	-110.59
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C1	REAL300010769019	1	33	-2.0	-116.09	325.03	4.23	-111.86
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010769020	1	27	-2.0	-109.87	297.38	4.44	-105.43
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C(C)CC(=O)[O-])S1	REAL300010769030	0	30	-2.0	-109.84	316.33	3.15	-106.69
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010770028	1	39	-2.0	-104.36	351.23	0.94	-103.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010770126	0	36	-2.0	-103.78	341.93	2.64	-101.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010770126	1	36	-2.0	-103.71	341.99	2.63	-101.08
CC([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010771007	1	21	-2.0	-110.50	251.25	2.18	-108.32
CC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010771010	1	24	-2.0	-112.16	268.51	3.85	-108.31
CC([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010771011	0	24	-2.0	-111.53	260.90	2.75	-108.78
CC([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010771013	1	24	-2.0	-111.26	260.66	2.76	-108.50
CC([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010771077	1	24	-2.0	-123.80	248.04	2.96	-120.84
CC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771086	0	26	-2.0	-121.67	279.15	4.76	-116.91
CC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771110	1	26	-2.0	-132.79	262.10	4.26	-128.53
CC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771173	1	26	-2.0	-126.24	263.43	4.12	-122.12
COC(=O)C1=CC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C(F)C=C1Br	REAL300010771191	1	30	-2.0	-113.46	304.68	3.23	-110.23
CC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010771203	1	27	-2.0	-123.40	266.86	4.16	-119.24
CC([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771204	1	26	-2.0	-123.65	268.01	4.23	-119.42
CC([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010771206	1	21	-2.0	-116.03	240.71	1.60	-114.43
CC([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010771208	1	23	-2.0	-111.03	258.02	1.34	-109.69
CC([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771212	1	26	-2.0	-126.16	268.00	4.22	-121.94
CC(NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010771215	1	32	-2.0	-101.32	310.13	-0.95	-102.27
CC([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010771228	1	21	-2.0	-110.61	255.88	2.28	-108.33
CC([N-]S(=O)(=O)C1=C(Br)C(Br)=CS1)C(=O)[O-]	REAL300010771253	0	21	-2.0	-110.81	257.89	2.29	-108.52
CC1=C(Br)SC(S(=O)(=O)[N-]C(C)C(=O)[O-])=N1	REAL300010771285	0	23	-2.0	-113.84	256.75	0.26	-113.58
CCCCCCN1C=C(S(=O)(=O)[N-]C(C)C(=O)[O-])C(=O)NC1=O	REAL300010771290	1	42	-2.0	-123.18	364.38	2.77	-120.41
CC([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010771291	0	24	-2.0	-106.58	255.64	2.50	-104.08
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(OC)=C1	REAL300010771295	1	42	-2.0	-100.05	375.83	0.47	-99.58
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771297	0	39	-2.0	-102.07	351.83	-0.72	-102.79
CC([N-]S(=O)(=O)C1=C(Br)C=C2NC(=O)OC2=C1Cl)C(=O)[O-]	REAL300010771301	1	27	-2.0	-112.30	287.30	0.99	-111.31
CC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010771309	1	24	-2.0	-110.65	262.01	3.56	-107.09
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010773044	1	37	-2.0	-102.03	331.41	2.70	-99.33
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=N[N-]1	REAL300010773044	1	37	-2.0	-101.98	331.51	2.69	-99.29
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300010773104	1	40	-2.0	-92.21	353.80	2.81	-89.40
O=C([O-])C1CCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010773171	0	36	-2.0	-101.00	323.04	4.97	-96.03
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010773178	1	21	-2.0	-113.47	257.06	3.09	-110.38
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010773192	1	21	-2.0	-113.53	252.50	2.99	-110.54
O=C([O-])C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010773193	0	21	-2.0	-112.42	244.65	1.90	-110.52
O=C([O-])C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010773195	1	21	-2.0	-112.32	244.65	1.90	-110.42
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CC(=O)[O-])C(F)=C1Cl	REAL300010773230	0	28	-2.0	-127.14	290.25	0.98	-126.16
COC(=O)C1=CC(S(=O)(=O)[N-]CC(=O)[O-])=C(Br)O1	REAL300010773234	1	24	-2.0	-109.37	271.49	0.57	-108.80
O=C([O-])C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010773244	1	21	-2.0	-125.53	231.78	2.12	-123.41
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010773249	0	23	-2.0	-122.55	262.88	3.93	-118.62
O=C([O-])C[N-]S(=O)(=O)C1=C(Br)C=C(F)C=C1Br	REAL300010773288	1	21	-2.0	-111.09	249.33	2.85	-108.24
COC(=O)C1=CC(S(=O)(=O)[N-]CC(=O)[O-])=C(F)C=C1Br	REAL300010773318	1	27	-2.0	-114.25	288.68	2.38	-111.87
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010773325	1	24	-2.0	-125.09	250.61	3.33	-121.76
O=C([O-])C[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010773326	1	23	-2.0	-124.77	251.99	3.41	-121.36
O=C([O-])C[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010773328	1	18	-2.0	-116.93	224.46	0.75	-116.18
O=C([O-])C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010773330	1	20	-2.0	-112.04	241.76	0.50	-111.54
O=C([O-])C[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010773333	1	23	-2.0	-127.60	251.99	3.40	-124.20
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(=O)[O-])C(F)=C1	REAL300010773335	1	29	-2.0	-89.91	281.90	-1.90	-91.81
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010773344	1	18	-2.0	-111.75	239.63	1.44	-110.31
O=C([O-])C[N-]S(=O)(=O)C1=C(Br)C(Br)=CS1	REAL300010773367	0	18	-2.0	-111.97	244.42	1.32	-110.65
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010773395	0	26	-2.0	-92.30	271.52	0.61	-91.69
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010773395	1	26	-2.0	-92.26	271.58	0.60	-91.66
CC1=C(Br)SC(S(=O)(=O)[N-]CC(=O)[O-])=N1	REAL300010773398	0	20	-2.0	-111.66	240.31	-0.57	-112.23
CCCCCCN1C=C(S(=O)(=O)[N-]CC(=O)[O-])C(=O)NC1=O	REAL300010773401	1	39	-2.0	-123.59	348.37	1.94	-121.65
O=C([O-])C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010773402	0	21	-2.0	-107.38	239.39	1.66	-105.72
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(=O)[O-])C(OC)=C1	REAL300010773404	1	39	-2.0	-95.01	347.10	-0.13	-95.14
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773406	0	36	-2.0	-104.92	324.91	-1.12	-106.04
O=C([O-])C[N-]S(=O)(=O)C1=C(Br)C=C2NC(=O)OC2=C1Cl	REAL300010773410	1	24	-2.0	-113.61	271.03	0.14	-113.47
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010773417	1	21	-2.0	-111.91	245.73	2.70	-109.21
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCCC1	REAL300010774010	1	33	-2.0	-136.33	295.37	6.59	-129.74
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)CCCC1	REAL300010774052	1	30	-2.0	-121.29	287.72	3.73	-117.56
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C(=O)N(C)C1=O	REAL300010774059	1	37	-2.0	-128.64	310.57	3.40	-125.24
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010774073	1	37	-2.0	-148.90	317.46	2.84	-146.06
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCCC1	REAL300010774101	1	33	-2.0	-132.45	296.22	6.44	-126.01
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCC1	REAL300010774134	1	34	-2.0	-133.86	293.08	4.99	-128.87
COC(=O)C1=COC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1	REAL300010774146	1	34	-2.0	-130.29	303.20	3.33	-126.96
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)O1	REAL300010774180	1	37	-2.0	-122.97	324.73	4.31	-118.66
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CCCC1	REAL300010774187	1	34	-2.0	-132.87	301.18	6.55	-126.32
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])CCCC1	REAL300010774188	1	33	-2.0	-128.16	300.75	6.54	-121.62
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=CS2)CCCC1	REAL300010774191	1	28	-2.0	-128.69	271.13	4.37	-124.32
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CCCC1	REAL300010774197	1	30	-2.0	-121.25	292.93	3.89	-117.36
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C([N+](=O)[O-])=N1	REAL300010774201	1	36	-2.0	-129.73	311.40	5.33	-124.40
O=C([O-])C1([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCCC1	REAL300010774202	1	33	-2.0	-134.10	296.27	5.93	-128.17
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])CCCC1	REAL300010774205	1	33	-2.0	-132.37	300.79	6.55	-125.82
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010774208	1	39	-2.0	-99.93	339.89	1.17	-98.76
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)CCCC1	REAL300010774226	1	28	-2.0	-123.10	290.83	4.84	-118.26
O=C([O-])C1([N-]S(=O)(=O)C2=CC=CC(F)=C2F)CCCC1	REAL300010774228	1	31	-2.0	-131.83	275.13	4.69	-127.14
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010774256	0	32	-2.0	-129.29	291.91	5.25	-124.04
O=C([O-])C1([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCCC1	REAL300010774271	1	32	-2.0	-134.58	277.49	5.23	-129.35
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCCC1	REAL300010774305	0	36	-2.0	-114.88	320.39	3.38	-111.50
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCCC1	REAL300010774305	1	36	-2.0	-114.82	320.45	3.37	-111.45
CC1=C(Br)SC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=N1	REAL300010774309	0	30	-2.0	-126.51	291.47	2.86	-123.65
CCCCCCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C(=O)NC1=O	REAL300010774317	1	49	-2.0	-126.91	399.54	5.31	-121.60
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCCC1	REAL300010774318	0	31	-2.0	-116.85	293.49	4.66	-112.19
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCCC1	REAL300010774330	1	30	-2.0	-124.52	285.85	3.62	-120.90
O=C([O-])C1([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCCC1	REAL300010774334	1	30	-2.0	-117.64	288.02	3.78	-113.86
COC(=O)C1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)SC=N1	REAL300010774372	0	33	-2.0	-136.52	296.95	2.68	-133.84
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010778018	1	35	-2.0	-107.87	313.72	5.93	-101.94
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010778050	1	36	-2.0	-108.10	308.97	4.33	-103.77
COC(=O)C1=COC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1	REAL300010778061	1	36	-2.0	-103.87	319.09	2.67	-101.20
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])O1	REAL300010778092	1	39	-2.0	-99.94	340.61	3.65	-96.29
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010778098	1	36	-2.0	-106.75	317.66	6.06	-100.69
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010778099	1	35	-2.0	-105.73	318.00	6.04	-99.69
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010778102	1	30	-2.0	-101.89	291.51	3.52	-98.37
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010778108	1	32	-2.0	-97.38	308.82	3.24	-94.14
CCN1C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010778111	1	38	-2.0	-110.09	329.53	4.78	-105.31
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010778112	1	35	-2.0	-112.64	312.62	5.31	-107.33
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010778115	1	35	-2.0	-107.70	318.32	6.03	-101.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010778117	1	41	-2.0	-94.52	352.94	0.67	-93.85
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010778132	1	30	-2.0	-96.77	306.68	4.19	-92.58
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010778134	1	33	-2.0	-107.39	291.00	4.05	-103.34
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010778158	0	34	-2.0	-101.48	308.50	4.60	-96.88
CCCCCCN1C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C(=O)NC1=O	REAL300010778205	1	51	-2.0	-107.60	415.43	4.66	-102.94
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010778206	0	33	-2.0	-93.25	306.45	4.41	-88.84
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010778218	1	32	-2.0	-101.84	298.19	3.37	-98.47
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010778222	1	32	-2.0	-94.61	304.64	3.14	-91.47
COC(=O)C1=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])SC=N1	REAL300010778256	0	35	-2.0	-109.39	319.39	1.69	-107.70
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1	REAL300010779327	1	37	-2.0	-106.12	337.98	0.16	-105.96
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCO1	REAL300010779424	0	34	-2.0	-90.21	323.70	2.53	-87.68
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCO1	REAL300010779424	1	34	-2.0	-90.16	323.76	2.52	-87.64
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780018	0	32	-2.0	-104.41	296.11	3.92	-100.49
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300010780024	0	30	-2.0	-103.86	300.29	3.11	-100.75
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CCO1	REAL300010780103	0	30	-2.0	-91.85	273.81	2.11	-89.74
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780152	1	35	-2.0	-98.58	323.16	1.10	-97.48
CCOC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=N[N-]1	REAL300010780152	1	35	-2.0	-98.49	323.26	1.10	-97.39
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010780212	1	38	-2.0	-97.39	345.38	1.19	-96.20
CC1=CC=C([O-])C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010780282	1	33	-2.0	-97.56	288.99	2.72	-94.84
O=C([O-])C1CN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CCO1	REAL300010780283	0	34	-2.0	-96.55	314.74	3.37	-93.18
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010780613	1	35	-2.0	-109.23	318.82	0.58	-108.65
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010780699	0	32	-2.0	-95.49	306.26	2.88	-92.61
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010780699	1	32	-2.0	-95.45	306.32	2.87	-92.58
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(OC)=C1	REAL300010780715	1	45	-2.0	-101.43	383.60	2.24	-99.19
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780717	0	42	-2.0	-117.57	356.20	1.05	-116.52
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010781181	1	43	-2.0	-85.51	390.81	3.25	-82.26
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010781187	0	30	-2.0	-96.03	278.69	4.31	-91.72
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010781191	0	28	-2.0	-106.98	281.18	3.57	-103.41
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010781283	1	33	-2.0	-93.61	304.82	1.58	-92.03
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=N[N-]1	REAL300010781283	1	33	-2.0	-93.68	305.01	1.58	-92.10
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010781327	1	36	-2.0	-101.67	323.96	1.70	-99.97
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010781377	0	32	-2.0	-102.33	296.23	3.80	-98.53
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010781398	1	30	-2.0	-126.30	280.54	4.10	-122.20
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010781424	1	27	-2.0	-121.86	286.14	3.94	-117.92
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010781429	1	30	-2.0	-117.88	308.61	5.02	-112.86
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010781433	0	30	-2.0	-122.05	302.79	4.01	-118.04
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010781435	1	30	-2.0	-124.05	295.81	4.52	-119.53
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010781436	1	30	-2.0	-122.89	281.50	3.97	-118.92
CC(C)[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010781445	0	30	-2.0	-127.67	285.19	3.62	-124.05
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C	REAL300010781493	1	34	-2.0	-129.91	305.94	3.69	-126.22
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)C(F)=C1Cl	REAL300010781507	0	37	-2.0	-135.79	347.84	3.07	-132.72
COC(=O)C1=CC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)=C(Br)O1	REAL300010781512	1	33	-2.0	-112.19	327.59	2.60	-109.59
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)O1	REAL300010781526	1	33	-2.0	-126.26	302.83	2.59	-123.67
CC(C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781528	0	32	-2.0	-144.52	292.95	4.91	-139.61
CC(C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010781531	1	30	-2.0	-139.60	285.73	4.81	-134.79
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781540	0	32	-2.0	-129.66	316.52	6.57	-123.09
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781572	1	32	-2.0	-141.72	299.81	6.07	-135.65
CC(C)[C@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010781624	1	36	-2.0	-124.52	315.22	2.21	-122.31
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C	REAL300010781637	1	36	-2.0	-142.09	322.40	1.71	-140.38
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781663	1	32	-2.0	-137.23	298.57	5.86	-131.37
COC(=O)C1=COC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)=C1	REAL300010781697	1	33	-2.0	-130.41	305.98	2.64	-127.77
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)O1	REAL300010781728	1	36	-2.0	-126.60	324.69	3.51	-123.09
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010781734	1	33	-2.0	-130.12	306.92	5.32	-124.80
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781735	1	32	-2.0	-131.47	308.19	5.56	-125.91
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010781738	1	27	-2.0	-131.89	278.40	3.48	-128.41
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010781744	1	29	-2.0	-116.64	299.77	2.60	-114.04
CCN1C=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300010781748	1	35	-2.0	-136.55	311.95	4.48	-132.07
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781749	1	32	-2.0	-141.42	303.46	4.68	-136.74
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781752	1	32	-2.0	-137.21	303.12	5.97	-131.24
CC(C)[C@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010781755	1	38	-2.0	-104.35	332.29	0.03	-104.32
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010781773	1	27	-2.0	-122.00	290.77	4.04	-117.96
CC(C)[C@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010781803	0	31	-2.0	-126.72	299.56	3.95	-122.77
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781816	1	31	-2.0	-137.72	283.15	4.15	-133.57
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010781850	0	35	-2.0	-95.46	327.51	2.59	-92.87
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010781850	1	35	-2.0	-95.43	327.56	2.59	-92.84
CC1=C(Br)SC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)=N1	REAL300010781853	0	29	-2.0	-121.65	298.85	1.49	-120.16
CCCCCCN1C=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)C(=O)NC1=O	REAL300010781860	1	48	-2.0	-132.04	404.49	3.97	-128.07
CC(C)[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010781861	0	30	-2.0	-112.12	295.50	3.69	-108.43
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781868	0	45	-2.0	-119.15	387.83	0.67	-118.48
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010781876	1	29	-2.0	-127.25	282.29	3.18	-124.07
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010781880	1	30	-2.0	-119.05	296.07	5.39	-113.66
CC(C)[C@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010781881	1	29	-2.0	-112.00	293.71	2.39	-109.61
COC(=O)C1=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)SC=N1	REAL300010781917	0	32	-2.0	-133.07	303.48	1.54	-131.53
COC(=O)C1=COC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783005	1	36	-2.0	-131.32	327.33	3.39	-127.93
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])O1	REAL300010783039	1	39	-2.0	-128.81	348.86	4.37	-124.44
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010783046	1	36	-2.0	-133.93	328.40	6.09	-127.84
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783047	1	35	-2.0	-135.81	326.45	6.66	-129.15
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010783050	1	30	-2.0	-128.07	304.80	3.63	-124.44
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010783056	1	32	-2.0	-120.72	322.00	3.35	-117.37
CCN1C=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010783060	1	38	-2.0	-139.77	336.10	5.34	-134.43
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783061	1	35	-2.0	-142.14	325.62	5.47	-136.67
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783064	1	35	-2.0	-137.92	327.23	6.80	-131.12
CC(C)C[C@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010783067	1	41	-2.0	-105.02	358.84	0.85	-104.17
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010783085	1	30	-2.0	-124.05	314.93	4.89	-119.16
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010783087	1	33	-2.0	-139.86	299.25	4.74	-135.12
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010783115	0	34	-2.0	-131.86	316.75	5.27	-126.59
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783130	1	34	-2.0	-137.81	301.86	5.31	-132.50
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010783164	0	38	-2.0	-103.28	352.80	3.44	-99.84
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010783164	1	38	-2.0	-103.22	352.86	3.43	-99.79
CC1=C(Br)SC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=N1	REAL300010783168	0	32	-2.0	-129.51	316.04	2.84	-126.67
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])C(=O)NC1=O	REAL300010783176	1	51	-2.0	-138.88	423.68	5.23	-133.65
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010783177	0	33	-2.0	-119.27	312.77	5.15	-114.12
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010783189	1	32	-2.0	-127.82	304.49	4.09	-123.73
CC(C)C[C@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010783193	1	32	-2.0	-119.80	312.90	3.79	-116.01
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])SC=N1	REAL300010783231	0	35	-2.0	-130.25	332.16	1.84	-128.41
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010784002	1	39	-2.0	-126.44	354.10	6.35	-120.09
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010784004	1	39	-2.0	-154.39	336.79	6.28	-148.11
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010784010	0	29	-2.0	-121.48	291.41	3.07	-118.41
CC1=CC=C([O-])C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010784022	1	37	-2.0	-121.55	309.39	4.34	-117.21
CC(C)C[C@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010784023	0	38	-2.0	-114.49	342.66	4.36	-110.13
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010784353	1	35	-2.0	-93.52	325.57	0.77	-92.75
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010784439	0	32	-2.0	-88.13	311.03	3.04	-85.09
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010784439	1	32	-2.0	-88.12	311.09	3.03	-85.09
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(OC)=C1	REAL300010784455	1	45	-2.0	-96.25	390.73	2.44	-93.81
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784457	0	42	-2.0	-106.24	364.98	1.30	-104.94
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010785023	1	33	-2.0	-96.61	311.85	1.72	-94.89
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=N[N-]1	REAL300010785023	1	33	-2.0	-96.58	311.95	1.72	-94.86
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010785067	1	36	-2.0	-95.31	334.92	1.92	-93.39
CN(CCC(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010785117	0	32	-2.0	-108.33	302.76	3.99	-104.34
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010785141	1	33	-2.0	-124.22	303.58	4.87	-119.35
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010785146	0	33	-2.0	-143.83	294.05	4.97	-138.86
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010785169	1	33	-2.0	-135.77	299.36	4.73	-131.04
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010785171	1	30	-2.0	-126.02	310.33	4.79	-121.23
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010785177	1	33	-2.0	-123.33	325.87	6.48	-116.85
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010785182	0	33	-2.0	-126.51	319.95	5.36	-121.15
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010785184	1	33	-2.0	-124.36	318.05	5.41	-118.95
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010785185	1	33	-2.0	-123.63	303.78	4.88	-118.75
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010785198	0	33	-2.0	-131.32	300.45	5.04	-126.28
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010785213	1	33	-2.0	-142.80	303.01	4.29	-138.51
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	REAL300010785250	1	37	-2.0	-136.67	325.12	4.90	-131.77
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])C(F)=C1Cl	REAL300010785268	0	40	-2.0	-141.48	365.17	4.43	-137.05
COC(=O)C1=CC(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=C(Br)O1	REAL300010785273	1	36	-2.0	-124.47	346.80	4.02	-120.45
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])O1	REAL300010785287	1	36	-2.0	-125.36	327.03	3.44	-121.92
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785290	0	35	-2.0	-147.62	311.54	6.39	-141.23
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010785293	1	33	-2.0	-134.92	305.19	5.59	-129.33
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785302	0	35	-2.0	-132.24	333.58	7.17	-125.07
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785331	1	35	-2.0	-140.43	319.59	6.87	-133.56
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010785381	1	39	-2.0	-139.03	332.13	3.54	-135.49
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	REAL300010785395	1	39	-2.0	-152.43	341.59	2.89	-149.54
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785423	1	35	-2.0	-135.25	321.33	6.74	-128.51
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010785457	1	36	-2.0	-135.37	315.28	5.09	-130.28
COC(=O)C1=COC(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785469	1	36	-2.0	-132.66	327.37	3.38	-129.28
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])O1	REAL300010785503	1	39	-2.0	-125.55	348.89	4.36	-121.19
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010785510	1	36	-2.0	-134.17	324.32	6.77	-127.40
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785511	1	35	-2.0	-131.00	326.06	6.85	-124.15
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010785514	1	30	-2.0	-132.95	299.79	4.23	-128.72
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010785520	1	32	-2.0	-122.90	315.16	4.02	-118.88
CCN1C=C(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010785524	1	38	-2.0	-134.10	337.77	5.50	-128.60
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785525	1	35	-2.0	-138.49	319.47	5.96	-132.53
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785528	1	35	-2.0	-135.20	325.91	6.85	-128.35
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010785531	1	41	-2.0	-104.51	368.33	1.18	-103.33
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010785549	1	30	-2.0	-126.05	314.97	4.89	-121.16
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010785551	1	33	-2.0	-135.72	299.23	4.72	-131.00
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010785579	0	34	-2.0	-130.36	314.81	5.35	-125.01
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785594	1	34	-2.0	-137.76	301.79	5.30	-132.46
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010785628	0	38	-2.0	-91.23	349.40	3.22	-88.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010785628	1	38	-2.0	-91.16	349.46	3.22	-87.94
CC1=C(Br)SC(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=N1	REAL300010785632	0	32	-2.0	-129.53	316.04	2.83	-126.70
CCCCCCN1C=C(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])C(=O)NC1=O	REAL300010785640	1	51	-2.0	-130.60	423.72	5.39	-125.21
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010785641	0	33	-2.0	-120.67	314.72	5.10	-115.57
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010785653	1	32	-2.0	-126.64	304.55	4.10	-122.54
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010785657	1	32	-2.0	-120.84	310.98	3.90	-116.94
COC(=O)C1=C(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])SC=N1	REAL300010785695	0	35	-2.0	-137.62	322.05	2.98	-134.64
CC(C)C[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010786027	1	32	-2.0	-139.45	299.97	3.36	-136.09
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=C1F	REAL300010786036	1	39	-2.0	-133.84	352.31	5.37	-128.47
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])O1	REAL300010786048	1	39	-2.0	-125.44	342.97	4.06	-121.38
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010786059	1	32	-2.0	-126.29	309.43	3.28	-123.01
COC(=O)C1=C(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])OC=C1	REAL300010786063	0	36	-2.0	-142.43	318.91	3.85	-138.58
CC(C)C[C@@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010786067	0	35	-2.0	-149.96	313.91	3.36	-146.60
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010786075	1	33	-2.0	-124.53	301.17	2.23	-122.30
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010786093	1	30	-2.0	-137.95	287.95	2.57	-135.38
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010786095	1	32	-2.0	-122.98	310.59	3.92	-119.06
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010786096	1	32	-2.0	-125.87	304.83	3.20	-122.67
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010786097	1	32	-2.0	-123.06	292.44	2.80	-120.26
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010786113	0	36	-2.0	-137.26	338.64	5.62	-131.64
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010786114	1	36	-2.0	-126.38	318.67	3.33	-123.05
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010786124	0	34	-2.0	-101.71	301.64	3.00	-98.71
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	REAL300010786126	1	36	-2.0	-150.16	317.83	2.03	-148.13
CC(C)C[C@@H]([N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010786130	1	42	-2.0	-160.57	349.09	2.70	-157.87
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=C1F	REAL300010786147	1	37	-2.0	-143.93	336.38	4.82	-139.11
CC(C)C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010786173	0	41	-2.0	-100.98	334.92	3.67	-97.31
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010786183	0	30	-2.0	-130.88	289.24	3.31	-127.57
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	REAL300010786194	1	37	-2.0	-135.80	322.02	5.13	-130.67
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786218	0	36	-2.0	-122.01	346.09	4.00	-118.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010786222	0	36	-2.0	-103.53	326.69	4.96	-98.57
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010786225	1	36	-2.0	-142.84	314.99	3.77	-139.07
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010786228	0	34	-2.0	-105.21	327.20	4.38	-100.83
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010786259	1	30	-2.0	-125.84	291.83	3.34	-122.50
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010786285	1	33	-2.0	-122.17	309.37	3.91	-118.26
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010786303	1	38	-2.0	-132.85	348.28	6.18	-126.67
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010786307	0	34	-2.0	-101.71	301.64	3.00	-98.71
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010786308	1	39	-2.0	-132.30	364.93	5.92	-126.38
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010786314	0	33	-2.0	-132.75	315.33	5.58	-127.17
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010786315	1	35	-2.0	-123.61	328.49	3.91	-119.70
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010786318	1	35	-2.0	-123.61	328.49	3.91	-119.70
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	REAL300010786320	1	37	-2.0	-144.09	337.35	5.69	-138.40
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010786323	1	33	-2.0	-125.90	314.97	5.21	-120.69
CC1=NC(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010786335	1	42	-2.0	-145.86	361.25	3.79	-142.07
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786356	1	39	-2.0	-100.60	343.92	2.29	-98.31
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=N[N-]1	REAL300010786356	1	39	-2.0	-100.67	344.18	2.28	-98.39
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786358	0	36	-2.0	-121.17	342.01	3.90	-117.27
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	REAL300010786361	1	37	-2.0	-136.31	338.12	5.65	-130.66
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010786363	1	37	-2.0	-138.47	323.52	4.28	-134.19
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010786368	1	30	-2.0	-120.89	310.59	4.80	-116.09
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	REAL300010786377	1	36	-2.0	-150.16	317.83	2.03	-148.13
CC(C)C[C@@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010786408	0	31	-2.0	-131.82	298.57	2.53	-129.29
CC(C)C[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010786411	1	32	-2.0	-140.88	296.31	3.24	-137.64
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010786416	1	42	-2.0	-98.23	369.94	2.15	-96.08
CC(C)C[C@@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010786420	0	32	-2.0	-139.48	309.34	3.40	-136.08
CC(C)C[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010786446	1	35	-2.0	-143.49	312.78	3.90	-139.59
CC(C)C[C@@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010786452	0	32	-2.0	-126.33	315.50	3.97	-122.36
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	REAL300010786466	1	39	-2.0	-133.28	353.27	6.82	-126.46
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	REAL300010786468	1	39	-2.0	-154.43	336.79	6.27	-148.16
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010786474	0	29	-2.0	-118.02	289.47	3.09	-114.93
CC1=CC=C([O-])C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010786486	1	37	-2.0	-105.49	312.23	4.30	-101.19
CC(C)C[C@@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010786487	0	38	-2.0	-107.49	337.10	4.17	-103.32
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010786839	1	36	-2.0	-105.14	328.19	1.70	-103.44
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786937	0	43	-2.0	-112.89	371.95	2.00	-110.89
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010789021	1	34	-2.0	-135.32	303.74	4.15	-131.17
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)C(F)=C1Cl	REAL300010789035	0	37	-2.0	-140.45	344.20	3.65	-136.80
COC(=O)C1=CC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C(Br)O1	REAL300010789040	1	33	-2.0	-121.38	321.84	3.33	-118.05
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)O1	REAL300010789054	1	33	-2.0	-121.80	300.11	2.71	-119.09
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789056	0	32	-2.0	-144.96	283.86	5.35	-139.61
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010789059	1	30	-2.0	-138.28	282.57	4.72	-133.56
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789068	0	32	-2.0	-132.89	313.72	6.40	-126.49
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789100	1	32	-2.0	-140.53	291.88	5.87	-134.66
CC(C)[C@@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010789152	1	36	-2.0	-137.76	309.49	2.66	-135.10
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010789165	1	36	-2.0	-150.02	317.07	2.08	-147.94
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789191	1	32	-2.0	-135.95	300.72	5.94	-130.01
COC(=O)C1=COC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789225	1	33	-2.0	-128.79	300.45	2.66	-126.13
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)O1	REAL300010789256	1	36	-2.0	-122.62	323.90	3.65	-118.97
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010789262	1	33	-2.0	-133.97	301.35	5.89	-128.08
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789263	1	32	-2.0	-129.64	303.58	6.09	-123.55
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010789266	1	27	-2.0	-130.84	275.22	3.41	-127.43
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010789272	1	29	-2.0	-120.57	290.18	3.22	-117.35
CCN1C=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300010789276	1	35	-2.0	-132.66	313.24	4.70	-127.96
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789277	1	32	-2.0	-136.93	296.32	5.20	-131.73
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789280	1	32	-2.0	-135.86	305.29	6.04	-129.82
CC(C)[C@@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010789283	1	38	-2.0	-109.50	345.62	0.43	-109.07
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010789301	1	27	-2.0	-122.90	289.97	4.17	-118.73
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010789331	0	31	-2.0	-130.76	295.37	4.55	-126.21
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789344	1	31	-2.0	-135.25	276.38	4.65	-130.60
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010789378	0	35	-2.0	-91.47	330.98	2.60	-88.87
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010789378	1	35	-2.0	-91.48	331.04	2.58	-88.90
CC1=C(Br)SC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=N1	REAL300010789381	0	29	-2.0	-126.95	294.68	2.11	-124.84
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)C(=O)NC1=O	REAL300010789388	1	48	-2.0	-127.62	398.72	4.67	-122.95
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010789389	0	30	-2.0	-117.31	289.72	4.38	-112.93
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789396	0	45	-2.0	-118.50	385.16	0.65	-117.85
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010789404	1	29	-2.0	-127.16	285.10	3.29	-123.87
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010789408	1	30	-2.0	-117.93	296.07	5.38	-112.55
CC(C)[C@@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010789409	1	29	-2.0	-120.07	288.35	3.00	-117.07
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)SC=N1	REAL300010789445	0	32	-2.0	-139.45	298.10	1.91	-137.54
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010790003	1	30	-2.0	-121.23	286.77	3.03	-118.20
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010790016	1	33	-2.0	-133.62	320.86	6.03	-127.59
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010790020	1	35	-2.0	-131.94	328.87	5.37	-126.57
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010790024	1	36	-2.0	-118.95	327.88	5.14	-113.81
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010790030	0	30	-2.0	-130.70	292.29	4.81	-125.89
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010790031	1	32	-2.0	-122.67	307.10	3.16	-119.51
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010790034	1	32	-2.0	-122.67	307.10	3.16	-119.51
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010790037	1	34	-2.0	-138.69	314.34	4.70	-133.99
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010790040	1	30	-2.0	-123.76	290.43	4.41	-119.35
CC1=NC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300010790049	1	39	-2.0	-146.50	338.63	2.90	-143.60
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010790067	1	36	-2.0	-101.32	323.26	1.22	-100.10
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=N[N-]1	REAL300010790067	1	36	-2.0	-101.41	323.30	1.23	-100.18
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C1	REAL300010790069	0	33	-2.0	-117.63	315.12	3.20	-114.43
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010790072	1	34	-2.0	-134.32	313.10	5.15	-129.17
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300010790074	1	34	-2.0	-135.60	298.54	3.47	-132.13
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010790079	1	27	-2.0	-118.30	285.65	4.01	-114.29
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010790085	1	27	-2.0	-126.85	279.07	3.96	-122.89
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010790088	1	33	-2.0	-147.24	292.83	1.23	-146.01
CC(C)[C@@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010790115	0	28	-2.0	-130.84	275.93	1.64	-129.20
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300010790122	1	39	-2.0	-99.13	352.33	1.50	-97.63
CC(C)[C@@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010790126	0	29	-2.0	-135.15	281.46	2.74	-132.41
CC(C)[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010790149	1	32	-2.0	-137.31	283.14	3.23	-134.08
CC(C)[C@@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010790153	0	29	-2.0	-125.02	294.14	3.24	-121.78
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010790165	1	36	-2.0	-134.00	333.88	5.98	-128.02
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010790167	1	36	-2.0	-152.76	312.26	5.49	-147.27
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010790173	0	26	-2.0	-117.09	266.85	2.20	-114.89
CC(C)[C@@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010790181	0	35	-2.0	-106.83	317.52	3.54	-103.29
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010790196	1	27	-2.0	-121.04	291.73	5.27	-115.77
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010790221	1	24	-2.0	-123.47	271.59	3.50	-119.97
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010790225	1	27	-2.0	-122.60	289.10	5.12	-117.48
CC[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010790227	0	27	-2.0	-122.35	279.29	4.13	-118.22
CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010790229	1	27	-2.0	-121.78	279.35	4.13	-117.65
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010790277	1	31	-2.0	-133.60	286.42	3.60	-130.00
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790300	0	29	-2.0	-145.39	272.84	5.12	-140.27
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010790303	1	27	-2.0	-136.20	266.46	4.33	-131.87
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790312	0	29	-2.0	-126.72	297.58	6.09	-120.63
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790342	1	29	-2.0	-138.24	280.86	5.59	-132.65
CC[C@@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010790388	1	33	-2.0	-136.25	293.40	2.24	-134.01
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](CC)C(=O)[O-]	REAL300010790400	1	33	-2.0	-145.21	299.69	1.73	-143.48
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790423	1	29	-2.0	-133.51	283.15	5.49	-128.02
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)C=C1F)C(=O)[O-]	REAL300010790453	1	33	-2.0	-125.00	325.25	4.53	-120.47
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](CC)C(=O)[O-])O1	REAL300010790475	1	33	-2.0	-121.78	308.23	3.13	-118.65
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010790480	1	30	-2.0	-133.61	287.19	5.43	-128.18
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790481	1	29	-2.0	-129.09	287.88	5.58	-123.51
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010790484	1	24	-2.0	-128.90	259.13	3.00	-125.90
CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010790487	1	26	-2.0	-120.59	276.43	2.73	-117.86
CC[C@@H]([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790490	1	32	-2.0	-131.71	299.07	4.23	-127.48
CC[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790491	1	29	-2.0	-134.50	279.19	4.77	-129.73
CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790494	1	29	-2.0	-133.37	287.72	5.59	-127.78
CC[C@@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010790497	1	35	-2.0	-110.46	332.11	-0.07	-110.53
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010790511	1	24	-2.0	-123.42	276.23	3.60	-119.82
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010790539	0	28	-2.0	-128.92	278.05	4.01	-124.91
CC[C@@H]([N-]S(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010790574	0	26	-2.0	-125.18	277.35	1.56	-123.62
CCCCCCN1C=C(S(=O)(=O)[N-][C@H](CC)C(=O)[O-])C(=O)NC1=O	REAL300010790580	1	45	-2.0	-126.90	383.06	4.15	-122.75
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010790581	0	27	-2.0	-116.77	274.06	3.86	-112.91
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(OC)=C1	REAL300010790586	1	45	-2.0	-106.45	397.05	1.40	-105.05
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300010790588	0	42	-2.0	-119.85	376.08	0.24	-119.61
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010790594	1	26	-2.0	-124.04	265.83	2.80	-121.24
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010790599	1	27	-2.0	-118.90	280.42	4.88	-114.02
CC[C@@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010790600	1	26	-2.0	-119.77	274.16	2.53	-117.24
CC[C@@H]([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010790626	0	29	-2.0	-134.92	283.52	1.70	-133.22
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010790637	1	24	-2.0	-123.06	253.13	2.07	-120.99
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=CC(F)=C1Br)C(=O)[O-]	REAL300010790653	1	33	-2.0	-128.67	325.64	4.78	-123.89
CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010790654	1	27	-2.0	-121.94	297.99	4.99	-116.95
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010790664	0	30	-2.0	-123.18	316.92	3.72	-119.46
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010791006	0	24	-2.0	-128.07	250.92	2.00	-126.07
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010791015	1	31	-2.0	-136.02	288.71	3.99	-132.03
CC[C@@H](NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010791031	1	43	-2.0	-91.43	396.63	2.39	-89.04
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010791033	0	30	-2.0	-118.25	305.46	2.80	-115.45
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010791037	0	30	-2.0	-108.68	289.87	3.64	-105.04
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010791040	1	30	-2.0	-141.51	278.16	2.42	-139.09
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010791041	0	28	-2.0	-104.08	292.98	2.72	-101.36
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010791061	1	24	-2.0	-123.06	253.13	2.07	-120.99
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010791082	1	27	-2.0	-119.50	270.68	2.62	-116.88
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010791096	1	30	-2.0	-132.02	303.52	5.50	-126.52
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010791100	1	32	-2.0	-131.84	311.51	4.83	-127.01
CC[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010791101	1	33	-2.0	-121.26	314.83	4.57	-116.69
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010791105	0	27	-2.0	-129.76	276.64	4.29	-125.47
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010791106	1	29	-2.0	-119.95	287.83	2.68	-117.27
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010791109	1	29	-2.0	-119.95	287.83	2.68	-117.27
CC[C@@H]([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010791112	1	31	-2.0	-139.40	300.59	4.15	-135.25
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010791115	1	27	-2.0	-123.34	276.27	3.94	-119.40
CC[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010791122	1	36	-2.0	-146.74	324.89	2.32	-144.42
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010791133	1	33	-2.0	-100.16	310.06	0.80	-99.36
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=N[N-]1	REAL300010791133	1	33	-2.0	-100.24	310.28	0.79	-99.45
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010791135	0	30	-2.0	-117.40	301.38	2.70	-114.70
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010791137	1	31	-2.0	-135.64	302.92	4.56	-131.08
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010791139	1	31	-2.0	-135.43	284.81	2.97	-132.46
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010791143	1	24	-2.0	-119.47	273.79	3.45	-116.02
CC[C@@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010791148	1	24	-2.0	-126.85	265.32	3.46	-123.39
CC[C@@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010791171	0	25	-2.0	-129.00	259.83	1.23	-127.77
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])S1	REAL300010791177	1	36	-2.0	-98.57	335.02	0.95	-97.62
CC[C@@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010791181	0	26	-2.0	-136.80	270.61	2.12	-134.68
CC[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010791199	1	29	-2.0	-140.48	274.03	2.59	-137.89
CC[C@@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010791203	0	26	-2.0	-123.65	276.78	2.69	-120.96
CC[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010791216	1	33	-2.0	-132.24	316.50	5.46	-126.78
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010791218	1	33	-2.0	-151.81	298.09	5.01	-146.80
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010791223	0	23	-2.0	-116.95	252.70	1.74	-115.21
CC[C@@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010791227	0	32	-2.0	-106.44	302.03	3.03	-103.41
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010791240	1	24	-2.0	-112.62	273.56	3.93	-108.69
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010791259	1	21	-2.0	-110.47	251.24	2.19	-108.28
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010791262	1	24	-2.0	-112.31	268.75	3.85	-108.46
C[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010791263	0	24	-2.0	-111.61	261.12	2.74	-108.87
C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010791265	1	24	-2.0	-111.46	261.12	2.75	-108.71
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@H](C)C(=O)[O-])C(F)=C1Cl	REAL300010791318	0	31	-2.0	-124.67	306.23	1.82	-122.85
COC(=O)C1=CC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C(Br)O1	REAL300010791323	1	27	-2.0	-108.77	287.70	1.43	-107.34
C[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010791336	1	24	-2.0	-123.81	248.06	2.96	-120.85
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791345	0	26	-2.0	-121.64	279.13	4.77	-116.87
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791369	1	26	-2.0	-131.54	262.70	4.20	-127.34
C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791435	1	26	-2.0	-126.56	263.68	4.11	-122.45
COC(=O)C1=CC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C(F)C=C1Br	REAL300010791454	1	30	-2.0	-113.62	305.15	3.20	-110.42
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010791467	1	27	-2.0	-123.24	267.09	4.15	-119.09
C[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791468	1	26	-2.0	-121.92	270.78	4.21	-117.71
C[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010791470	1	21	-2.0	-116.48	240.96	1.58	-114.90
C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010791472	1	23	-2.0	-111.16	258.26	1.32	-109.84
C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791476	1	26	-2.0	-126.41	268.24	4.22	-122.19
C[C@@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010791479	1	32	-2.0	-90.13	295.88	-1.40	-91.53
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010791493	1	21	-2.0	-110.59	255.88	2.29	-108.30
C[C@@H]([N-]S(=O)(=O)C1=C(Br)C(Br)=CS1)C(=O)[O-]	REAL300010791521	0	21	-2.0	-112.52	256.89	2.36	-110.16
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010791556	0	29	-2.0	-89.53	288.99	1.15	-88.38
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010791556	1	29	-2.0	-89.49	289.04	1.14	-88.35
CC1=C(Br)SC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=N1	REAL300010791559	0	23	-2.0	-114.37	256.75	0.25	-114.12
CCCCCCN1C=C(S(=O)(=O)[N-][C@H](C)C(=O)[O-])C(=O)NC1=O	REAL300010791565	1	42	-2.0	-122.32	364.88	2.73	-119.59
C[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010791566	0	24	-2.0	-106.56	255.65	2.50	-104.06
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(OC)=C1	REAL300010791570	1	42	-2.0	-95.36	360.88	0.47	-94.89
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791572	0	39	-2.0	-103.20	336.12	-0.55	-103.75
C[C@@H]([N-]S(=O)(=O)C1=C(Br)C=C2NC(=O)OC2=C1Cl)C(=O)[O-]	REAL300010791576	1	27	-2.0	-112.29	287.29	0.99	-111.30
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010791584	1	24	-2.0	-110.65	261.99	3.56	-107.09
C[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010792001	1	26	-2.0	-113.10	269.42	1.30	-111.80
C[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010792004	1	26	-2.0	-113.10	269.42	1.30	-111.80
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@H](C)C(=O)[O-]	REAL300010792006	1	28	-2.0	-127.71	280.25	3.05	-124.66
CC1=NC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010792013	1	33	-2.0	-133.94	304.69	0.96	-132.98
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C1	REAL300010792020	0	27	-2.0	-109.02	282.96	1.30	-107.72
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@H](C)C(=O)[O-]	REAL300010792021	1	28	-2.0	-122.76	279.06	3.26	-119.50
C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010792027	1	21	-2.0	-108.07	253.73	2.11	-105.96
C[C@@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010792032	1	21	-2.0	-115.38	247.15	2.04	-113.34
C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(I)S1)C(=O)[O-]	REAL300010792035	1	21	-2.0	-109.15	264.40	2.68	-106.47
C[C@@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010792052	0	22	-2.0	-118.52	241.66	-0.17	-118.69
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])S1	REAL300010792055	1	33	-2.0	-90.89	308.61	0.06	-90.83
C[C@@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010792058	0	23	-2.0	-122.32	250.26	0.79	-121.53
C[C@@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010792074	0	23	-2.0	-114.96	256.44	1.44	-113.52
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H](C)C(=O)[O-]	REAL300010792085	1	30	-2.0	-119.77	298.22	4.08	-115.69
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H](C)C(=O)[O-]	REAL300010792086	1	30	-2.0	-138.85	277.98	3.69	-135.16
C[C@@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010792090	0	20	-2.0	-107.67	232.34	0.45	-107.22
C[C@@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010792094	0	29	-2.0	-99.83	278.75	2.07	-97.76
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010792107	1	24	-2.0	-112.25	273.32	3.95	-108.30
C[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010792126	1	21	-2.0	-110.92	251.49	2.15	-108.77
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010792129	1	24	-2.0	-112.17	268.51	3.85	-108.32
C[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010792130	0	24	-2.0	-111.42	260.66	2.76	-108.66
C[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010792132	1	24	-2.0	-111.27	260.68	2.76	-108.51
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])C(F)=C1Cl	REAL300010792185	0	31	-2.0	-124.91	306.45	1.79	-123.12
COC(=O)C1=CC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C(Br)O1	REAL300010792190	1	27	-2.0	-108.55	287.70	1.43	-107.12
C[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010792203	1	24	-2.0	-123.81	248.04	2.96	-120.85
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792212	0	26	-2.0	-120.01	278.60	4.73	-115.28
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792236	1	26	-2.0	-130.94	261.89	4.23	-126.71
C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792302	1	26	-2.0	-126.43	263.64	4.14	-122.29
COC(=O)C1=CC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C(F)C=C1Br	REAL300010792321	1	30	-2.0	-113.48	304.69	3.22	-110.26
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010792334	1	27	-2.0	-123.36	266.85	4.17	-119.19
C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792335	1	26	-2.0	-123.63	270.79	4.24	-119.39
C[C@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010792337	1	21	-2.0	-116.03	240.71	1.60	-114.43
C[C@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010792339	1	23	-2.0	-110.87	257.77	1.35	-109.52
C[C@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792343	1	26	-2.0	-126.35	268.20	4.24	-122.11
C[C@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010792346	1	32	-2.0	-92.39	307.92	-1.01	-93.40
C[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010792360	1	21	-2.0	-111.05	256.12	2.25	-108.80
C[C@H]([N-]S(=O)(=O)C1=C(Br)C(Br)=CS1)C(=O)[O-]	REAL300010792388	0	21	-2.0	-110.78	257.88	2.29	-108.49
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010792423	0	29	-2.0	-93.77	290.98	1.23	-92.54
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010792423	1	29	-2.0	-93.77	291.04	1.22	-92.55
CC1=C(Br)SC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=N1	REAL300010792426	0	23	-2.0	-113.84	256.75	0.26	-113.58
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])C(=O)NC1=O	REAL300010792432	1	42	-2.0	-123.24	364.39	2.78	-120.46
C[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010792433	0	24	-2.0	-106.44	255.42	2.50	-103.94
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300010792437	1	42	-2.0	-100.04	375.83	0.47	-99.57
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792439	0	39	-2.0	-112.44	353.98	-0.63	-113.07
C[C@H]([N-]S(=O)(=O)C1=C(Br)C=C2NC(=O)OC2=C1Cl)C(=O)[O-]	REAL300010792443	1	27	-2.0	-112.81	287.30	0.99	-111.82
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010792451	1	24	-2.0	-110.80	261.99	3.56	-107.24
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010793013	1	33	-2.0	-128.05	298.64	3.97	-124.08
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010793015	1	30	-2.0	-123.67	304.69	4.56	-119.11
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010793021	1	33	-2.0	-119.79	327.11	5.65	-114.14
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010793026	0	33	-2.0	-126.51	314.34	5.15	-121.36
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010793028	1	33	-2.0	-126.14	314.36	5.15	-120.99
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010793029	1	33	-2.0	-118.49	304.96	4.02	-114.47
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010793042	0	33	-2.0	-125.77	301.68	4.19	-121.58
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010793057	1	33	-2.0	-140.48	299.31	3.98	-136.50
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010793094	1	37	-2.0	-138.85	319.48	4.89	-133.96
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300010793112	0	40	-2.0	-139.03	357.24	4.26	-134.77
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010793117	1	36	-2.0	-118.98	338.74	3.88	-115.10
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300010793131	1	36	-2.0	-128.10	321.40	3.22	-124.88
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793134	0	35	-2.0	-144.87	312.24	5.57	-139.30
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010793137	1	33	-2.0	-138.58	299.07	5.40	-133.18
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793146	0	35	-2.0	-129.27	329.84	7.16	-122.11
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793175	1	35	-2.0	-140.94	314.07	6.67	-134.27
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010793225	1	39	-2.0	-131.46	326.01	3.49	-127.97
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793239	1	39	-2.0	-144.32	340.91	2.35	-141.97
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793267	1	35	-2.0	-130.91	320.42	5.96	-124.95
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010793301	1	36	-2.0	-138.95	311.60	4.82	-134.13
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010793313	1	36	-2.0	-131.33	321.72	3.17	-128.16
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)CC)O1	REAL300010793347	1	39	-2.0	-128.49	343.27	4.15	-124.34
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010793354	1	36	-2.0	-136.19	320.23	6.51	-129.68
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793355	1	35	-2.0	-134.57	319.38	6.38	-128.19
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010793358	1	30	-2.0	-133.05	294.16	4.01	-129.04
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010793364	1	32	-2.0	-121.39	309.05	3.78	-117.61
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793368	1	38	-2.0	-136.86	328.15	5.14	-131.72
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793369	1	35	-2.0	-136.36	319.76	5.26	-131.10
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793372	1	35	-2.0	-130.76	324.98	6.07	-124.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010793375	1	41	-2.0	-105.63	350.63	0.60	-105.03
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010793393	1	30	-2.0	-123.80	309.33	4.67	-119.13
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010793395	1	33	-2.0	-139.47	293.63	4.55	-134.92
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010793423	0	34	-2.0	-124.89	316.06	4.52	-120.37
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793438	1	34	-2.0	-141.05	293.12	4.87	-136.18
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010793472	0	38	-2.0	-102.67	342.49	3.14	-99.53
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010793472	1	38	-2.0	-102.65	342.55	3.13	-99.52
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010793476	0	32	-2.0	-127.19	310.19	2.65	-124.54
CCCCCCN1C=C(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)CC)C(=O)NC1=O	REAL300010793484	1	51	-2.0	-138.16	418.09	5.05	-133.11
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010793485	0	33	-2.0	-118.92	306.68	4.93	-113.99
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010793497	1	32	-2.0	-124.61	305.76	3.28	-121.33
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010793501	1	32	-2.0	-113.83	312.20	3.03	-110.80
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010793539	0	35	-2.0	-137.96	316.64	2.77	-135.19
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010794017	0	41	-2.0	-115.97	319.31	3.49	-112.48
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010794027	0	30	-2.0	-131.26	282.51	3.17	-128.09
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010794038	1	37	-2.0	-138.19	318.33	5.06	-133.13
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010794062	0	36	-2.0	-122.75	338.07	3.86	-118.89
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010794066	0	36	-2.0	-100.83	308.93	4.41	-96.42
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010794069	1	36	-2.0	-137.27	316.20	3.07	-134.20
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010794072	0	34	-2.0	-109.07	313.43	4.14	-104.93
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010794103	1	30	-2.0	-128.43	286.24	3.15	-125.28
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010794129	1	33	-2.0	-126.60	305.71	3.65	-122.95
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010794147	1	38	-2.0	-131.13	342.19	5.95	-125.18
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010794151	0	34	-2.0	-112.47	286.98	3.19	-109.28
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010794152	1	39	-2.0	-122.72	359.21	5.42	-117.30
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010794158	0	33	-2.0	-127.07	316.57	4.75	-122.32
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010794159	1	35	-2.0	-127.31	322.86	3.70	-123.61
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010794162	1	35	-2.0	-127.31	322.86	3.70	-123.61
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010794164	1	37	-2.0	-142.28	333.67	5.23	-137.05
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010794167	1	33	-2.0	-129.11	309.38	5.04	-124.07
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010794179	1	42	-2.0	-142.58	362.36	2.82	-139.76
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010794200	1	39	-2.0	-112.29	334.36	2.13	-110.16
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=N[N-]1	REAL300010794200	1	39	-2.0	-112.34	334.54	2.12	-110.22
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010794202	0	36	-2.0	-122.05	334.00	3.76	-118.29
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010794205	1	37	-2.0	-131.36	337.45	5.08	-126.28
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010794207	1	37	-2.0	-132.03	324.76	3.42	-128.61
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010794212	1	30	-2.0	-115.20	311.84	3.94	-111.26
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010794221	1	36	-2.0	-149.83	312.86	2.10	-147.73
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010794252	0	31	-2.0	-131.42	292.45	2.31	-129.11
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010794255	1	32	-2.0	-142.33	290.70	3.11	-139.22
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)S1	REAL300010794260	1	42	-2.0	-108.64	365.22	2.09	-106.55
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010794264	0	32	-2.0	-138.72	302.74	3.29	-135.43
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010794290	1	35	-2.0	-133.59	309.39	3.40	-130.19
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010794296	0	32	-2.0	-125.57	316.05	3.12	-122.45
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010794310	1	39	-2.0	-135.48	349.61	6.54	-128.94
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010794312	1	39	-2.0	-153.30	328.76	6.14	-147.16
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010794318	0	29	-2.0	-121.29	285.78	2.86	-118.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC=C1[O-])C(=O)[O-]	REAL300010794330	1	37	-2.0	-122.28	301.99	3.77	-118.51
CC[C@H](C)[C@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010794331	0	38	-2.0	-109.82	331.88	4.07	-105.75
CCCCC([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010794355	1	33	-2.0	-129.05	309.81	5.09	-123.96
CCCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010794360	0	33	-2.0	-142.99	298.34	5.22	-137.77
CCCCC([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010794383	1	33	-2.0	-133.40	301.73	5.08	-128.32
CCCCC([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010794385	1	30	-2.0	-117.88	319.56	4.45	-113.43
CCCCC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010794391	1	33	-2.0	-124.30	332.10	6.67	-117.63
CCCCC([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010794396	0	33	-2.0	-125.78	324.24	5.63	-120.15
CCCCC([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010794398	1	33	-2.0	-125.56	324.25	5.63	-119.93
CCCCC([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010794399	1	33	-2.0	-118.77	314.79	4.50	-114.27
CCCCC([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010794412	0	33	-2.0	-125.75	311.54	4.66	-121.09
CCCCC([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010794427	1	33	-2.0	-143.53	310.23	4.42	-139.11
CCCCC([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010794464	1	37	-2.0	-138.23	329.41	5.35	-132.88
CCCCC([N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300010794482	0	40	-2.0	-135.26	373.68	4.11	-131.15
CCCCC([N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010794487	1	36	-2.0	-114.45	356.07	3.70	-110.75
CCCCC([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300010794501	1	36	-2.0	-124.38	331.29	3.69	-120.69
CCCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794504	0	35	-2.0	-149.94	314.55	6.38	-143.56
CCCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010794507	1	33	-2.0	-134.38	309.46	5.84	-128.54
CCCCC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794516	0	35	-2.0	-136.92	344.90	7.55	-129.37
CCCCC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794545	1	35	-2.0	-142.11	330.64	6.53	-135.58
CCCCC([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010794595	1	39	-2.0	-139.84	338.33	3.75	-136.09
CCCCC([N-]S(=O)(=O)C1=NNC=C1C(=O)OCC)C(=O)[O-]	REAL300010794609	1	39	-2.0	-144.00	350.68	2.81	-141.19
CCCCC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794637	1	35	-2.0	-136.59	325.09	7.05	-129.54
CCCCC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010794671	1	36	-2.0	-135.54	321.51	5.30	-130.24
CCCCC([N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010794683	1	36	-2.0	-124.79	336.45	3.04	-121.75
CCCCC([N-]S(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300010794717	1	39	-2.0	-123.54	351.23	4.68	-118.86
CCCCC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010794724	1	36	-2.0	-131.83	335.90	6.38	-125.45
CCCCC([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794725	1	35	-2.0	-133.40	331.58	7.08	-126.32
CCCCC([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010794728	1	30	-2.0	-132.14	304.06	4.48	-127.66
CCCCC([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010794734	1	32	-2.0	-123.50	321.36	4.20	-119.30
CCCCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794738	1	38	-2.0	-132.69	340.14	5.85	-126.84
CCCCC([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794739	1	35	-2.0	-136.64	322.28	6.33	-130.31
CCCCC([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794742	1	35	-2.0	-136.40	329.66	7.15	-129.25
CCCCC(NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010794745	1	41	-2.0	-96.84	374.65	1.43	-95.41
CCCCC([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010794763	1	30	-2.0	-118.07	324.19	4.55	-113.52
CCCCC([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010794765	1	33	-2.0	-139.00	303.55	5.03	-133.97
CCCCC([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010794793	0	34	-2.0	-124.85	325.91	5.00	-119.85
CCCCC([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794808	1	34	-2.0	-138.71	309.11	5.17	-133.54
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010794842	0	38	-2.0	-104.04	357.46	3.67	-100.37
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010794842	1	38	-2.0	-103.96	357.51	3.66	-100.30
CCCCC([N-]S(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010794846	0	32	-2.0	-129.07	320.10	3.14	-125.93
CCCCCCN1C=C(S(=O)(=O)[N-]C(CCCC)C(=O)[O-])C(=O)NC1=O	REAL300010794854	1	51	-2.0	-134.96	432.76	5.06	-129.90
CCCCC([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010794855	0	33	-2.0	-118.45	317.06	5.42	-113.03
CCCCC([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010794867	1	32	-2.0	-125.95	308.80	4.36	-121.59
CCCCC([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010794871	1	32	-2.0	-114.49	322.13	3.50	-110.99
CCCCC([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010794909	0	35	-2.0	-142.08	328.79	3.15	-138.93
CCCC([N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010796021	1	33	-2.0	-129.84	310.14	2.87	-126.97
CCCC([N-]S(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300010796052	1	36	-2.0	-124.10	331.66	3.84	-120.26
CCCC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010796058	1	33	-2.0	-136.12	306.06	6.09	-130.03
CCCC([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796059	1	32	-2.0	-132.82	310.08	6.30	-126.52
CCCC([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010796062	1	27	-2.0	-123.81	287.06	3.11	-120.70
CCCC([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010796068	1	29	-2.0	-123.07	299.86	3.42	-119.65
CCCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796072	1	35	-2.0	-132.06	318.65	5.07	-126.99
CCCC([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796073	1	32	-2.0	-135.94	300.79	5.55	-130.39
CCCC([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796076	1	32	-2.0	-137.41	310.09	6.30	-131.11
CCCC(NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010796079	1	38	-2.0	-96.32	352.91	0.65	-95.67
CCCC([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010796097	1	27	-2.0	-117.53	302.69	3.77	-113.76
CCCC([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010796127	0	31	-2.0	-130.46	299.55	4.78	-125.68
CCCC([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796140	1	31	-2.0	-135.71	283.19	4.89	-130.82
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010796174	0	35	-2.0	-101.88	333.69	2.86	-99.02
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010796174	1	35	-2.0	-101.88	333.75	2.85	-99.03
CCCC([N-]S(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010796177	0	29	-2.0	-128.56	298.60	2.36	-126.20
CCCCCCN1C=C(S(=O)(=O)[N-]C(CCC)C(=O)[O-])C(=O)NC1=O	REAL300010796184	1	48	-2.0	-134.30	411.26	4.28	-130.02
CCCC([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010796185	0	30	-2.0	-117.82	295.56	4.64	-113.18
CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300010796192	0	45	-2.0	-105.15	396.60	1.04	-104.11
CCCC([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010796200	1	29	-2.0	-127.01	289.23	3.52	-123.49
CCCC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010796204	1	30	-2.0	-119.00	301.90	5.64	-113.36
CCCC([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010796205	1	29	-2.0	-113.84	300.63	2.72	-111.12
CCCC([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010796241	0	32	-2.0	-141.45	307.29	2.37	-139.08
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010797390	1	39	-2.0	-105.09	332.73	2.28	-102.81
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010797487	0	36	-2.0	-92.49	319.07	4.74	-87.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010797487	1	36	-2.0	-92.48	319.13	4.74	-87.74
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)O1	REAL300010800028	1	36	-2.0	-120.98	329.67	2.92	-118.06
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010800034	1	33	-2.0	-136.18	301.89	5.87	-130.31
CC(C)C([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800035	1	32	-2.0	-132.57	303.09	5.99	-126.58
CC(C)C([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010800038	1	27	-2.0	-126.97	282.57	2.86	-124.11
CC(C)C([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010800044	1	29	-2.0	-123.40	295.70	3.20	-120.20
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300010800048	1	35	-2.0	-138.45	314.75	4.58	-133.87
CC(C)C([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800049	1	32	-2.0	-141.73	303.17	4.71	-137.02
CC(C)C([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800052	1	32	-2.0	-132.99	307.78	5.55	-127.44
CC(C)C(NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010800055	1	38	-2.0	-96.28	343.86	0.38	-95.90
CC(C)C([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010800073	1	27	-2.0	-115.54	295.74	3.46	-112.08
CC(C)C([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010800103	0	31	-2.0	-130.77	295.40	4.55	-126.22
CC(C)C([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800116	1	31	-2.0	-135.22	276.35	4.65	-130.57
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010800150	0	35	-2.0	-101.74	324.03	2.51	-99.23
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010800150	1	35	-2.0	-101.70	324.09	2.50	-99.20
CC1=C(Br)SC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=N1	REAL300010800153	0	29	-2.0	-126.09	288.90	2.14	-123.95
CCCCCCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)C(=O)NC1=O	REAL300010800160	1	48	-2.0	-136.05	399.52	4.41	-131.64
CC(C)C([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010800161	0	30	-2.0	-116.73	287.79	4.36	-112.37
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800168	0	45	-2.0	-106.52	388.50	0.68	-105.84
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010800176	1	29	-2.0	-128.41	285.08	3.28	-125.13
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010800180	1	30	-2.0	-115.63	301.84	4.73	-110.90
CC(C)C([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010800181	1	29	-2.0	-118.39	286.01	3.10	-115.29
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)SC=N1	REAL300010800217	0	32	-2.0	-134.23	300.75	1.64	-132.59
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010802002	1	30	-2.0	-92.85	325.15	4.43	-88.42
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010802004	1	33	-2.0	-102.84	309.46	4.29	-98.55
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C(F)=C1	REAL300010802032	0	34	-2.0	-97.62	326.97	4.85	-92.77
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010802047	1	34	-2.0	-107.79	313.48	4.94	-102.85
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010802081	0	38	-2.0	-95.44	358.07	3.60	-91.84
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010802081	1	38	-2.0	-95.41	358.13	3.59	-91.82
CC1=C(Br)SC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=N1	REAL300010802085	0	32	-2.0	-95.29	325.83	2.42	-92.87
CCCCCCN1C=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C(=O)NC1=O	REAL300010802093	1	51	-2.0	-103.14	433.89	4.93	-98.21
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010802094	0	33	-2.0	-89.35	324.91	4.65	-84.70
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010802106	1	32	-2.0	-97.77	316.65	3.61	-94.16
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010802110	1	32	-2.0	-90.76	323.11	3.36	-87.40
COC(=O)C1=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])SC=N1	REAL300010802148	0	35	-2.0	-104.57	337.85	1.92	-102.65
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010803192	1	32	-2.0	-95.49	304.52	0.29	-95.20
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010803269	0	29	-2.0	-100.44	292.12	2.63	-97.81
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010803269	1	29	-2.0	-100.37	292.18	2.63	-97.74
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300010803283	1	42	-2.0	-100.96	369.68	1.96	-99.00
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803285	0	39	-2.0	-110.02	347.49	0.93	-109.09
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1	REAL300010804221	1	37	-2.0	-100.59	324.78	-0.17	-100.76
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010804318	0	34	-2.0	-89.45	311.01	2.38	-87.07
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010804318	1	34	-2.0	-89.38	311.05	2.38	-87.00
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010805046	1	35	-2.0	-112.89	309.89	1.26	-111.63
CCOC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=N[N-]1	REAL300010805046	1	35	-2.0	-112.89	310.07	1.28	-111.61
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010805106	1	38	-2.0	-108.68	332.78	0.83	-107.85
CC1=CC=C([O-])C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010805176	1	33	-2.0	-107.98	275.41	2.39	-105.59
O=C([O-])C1COCCN1S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010805177	0	34	-2.0	-125.61	301.01	3.78	-121.83
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010805548	1	36	-2.0	-111.40	329.56	1.05	-110.35
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010805644	0	33	-2.0	-118.13	310.71	3.20	-114.93
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010805644	1	33	-2.0	-118.11	310.76	3.20	-114.91
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805662	0	43	-2.0	-117.55	372.33	1.52	-116.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010806153	0	36	-2.0	-105.32	302.49	4.52	-100.80
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806195	0	31	-2.0	-107.80	287.43	5.18	-102.62
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010806200	0	29	-2.0	-103.13	288.44	3.77	-99.36
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010806307	1	34	-2.0	-107.80	314.12	2.36	-105.44
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=N[N-]1	REAL300010806307	1	34	-2.0	-107.93	314.22	2.36	-105.57
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010806362	1	37	-2.0	-112.50	330.94	2.11	-110.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010806419	0	33	-2.0	-109.01	297.95	4.47	-104.54
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)C1	REAL300010806832	1	39	-2.0	-98.52	348.79	1.32	-97.20
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010806929	0	36	-2.0	-89.36	336.23	3.67	-85.69
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010806929	1	36	-2.0	-89.33	336.29	3.66	-85.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010809387	1	39	-2.0	-96.84	335.95	1.62	-95.22
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010809478	0	36	-2.0	-89.90	324.80	4.01	-85.89
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010809478	1	36	-2.0	-89.88	324.86	4.00	-85.88
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010810043	0	34	-2.0	-97.24	294.95	5.38	-91.86
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010810158	1	37	-2.0	-94.89	322.93	2.63	-92.26
CCOC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=N[N-]1	REAL300010810158	1	37	-2.0	-94.98	323.12	2.63	-92.35
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010810199	1	40	-2.0	-94.43	344.44	2.66	-91.77
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010810588	1	38	-2.0	-101.40	335.64	1.35	-100.05
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810685	0	45	-2.0	-111.35	378.70	2.02	-109.33
CC(CN(C)S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010813198	1	38	-2.0	-92.00	337.24	1.69	-90.31
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010813293	0	35	-2.0	-88.20	325.42	3.51	-84.69
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010813293	1	35	-2.0	-88.18	325.48	3.49	-84.69
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813311	0	45	-2.0	-104.59	377.56	2.24	-102.35
COC(=O)C1=C(S(=O)(=O)[N-]CCCCC(=O)[O-])SC=N1	REAL300010816015	0	32	-2.0	-107.22	316.35	1.14	-106.08
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(F)=C1	REAL300010817003	1	32	-2.0	-102.78	303.96	-1.27	-104.05
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010817017	1	21	-2.0	-105.70	260.65	2.06	-103.64
O=C([O-])CC[N-]S(=O)(=O)C1=C(Br)C(Br)=CS1	REAL300010817045	0	21	-2.0	-107.26	265.45	1.94	-105.32
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010817080	0	29	-2.0	-102.41	293.58	1.24	-101.17
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010817080	1	29	-2.0	-102.39	293.63	1.24	-101.15
CC1=C(Br)SC(S(=O)(=O)[N-]CCC(=O)[O-])=N1	REAL300010817083	0	23	-2.0	-106.93	261.33	0.05	-106.88
CCCCCCN1C=C(S(=O)(=O)[N-]CCC(=O)[O-])C(=O)NC1=O	REAL300010817089	1	42	-2.0	-115.92	369.40	2.55	-113.37
O=C([O-])CC[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010817090	0	24	-2.0	-101.24	260.41	2.28	-98.96
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(OC)=C1	REAL300010817094	1	42	-2.0	-94.97	369.16	0.51	-94.46
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817096	0	39	-2.0	-102.73	355.11	-0.67	-103.40
O=C([O-])CC[N-]S(=O)(=O)C1=C(Br)C=C2NC(=O)OC2=C1Cl	REAL300010817100	1	27	-2.0	-107.64	292.05	0.76	-106.88
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010817108	1	24	-2.0	-105.52	266.76	3.32	-102.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010819132	1	38	-2.0	-104.77	347.07	1.89	-102.88
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010819227	0	35	-2.0	-100.59	333.12	4.20	-96.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010819227	1	35	-2.0	-100.53	333.18	4.19	-96.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300010819245	0	45	-2.0	-110.47	391.71	2.55	-107.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010820030	0	35	-2.0	-113.18	321.44	5.12	-108.06
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010820443	1	39	-2.0	-105.09	332.73	2.28	-102.81
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010820540	0	36	-2.0	-92.49	319.07	4.74	-87.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010820540	1	36	-2.0	-92.48	319.13	4.74	-87.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010821038	0	32	-2.0	-111.13	275.63	4.29	-106.84
O=C([O-])C1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010821086	0	39	-2.0	-110.81	306.79	5.38	-105.43
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821135	0	34	-2.0	-125.85	297.43	6.35	-119.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010821141	0	32	-2.0	-102.56	294.64	5.21	-97.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010821221	0	32	-2.0	-111.13	275.63	4.29	-106.84
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010821270	1	37	-2.0	-115.52	317.64	3.36	-112.16
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=N[N-]1	REAL300010821270	1	37	-2.0	-115.43	317.65	3.37	-112.06
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010821330	1	40	-2.0	-113.56	340.33	3.26	-110.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010821397	0	36	-2.0	-113.30	306.59	5.90	-107.40
CC(O)(C[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010821420	1	28	-2.0	-106.49	281.33	0.26	-106.23
CC(O)(C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010821446	1	25	-2.0	-103.94	286.09	0.24	-103.70
CC(O)(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010821451	1	28	-2.0	-105.24	303.24	1.89	-103.35
CC(O)(C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010821455	0	28	-2.0	-104.16	295.74	0.80	-103.36
CC(O)(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010821457	1	28	-2.0	-104.08	295.74	0.80	-103.28
CC(O)(C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010821458	1	28	-2.0	-103.34	281.43	0.26	-103.08
CC(O)(C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010821468	0	28	-2.0	-109.83	277.82	0.44	-109.39
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC(C)(O)C(=O)[O-]	REAL300010821516	1	32	-2.0	-114.16	300.54	0.56	-113.60
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])C(F)=C1Cl	REAL300010821530	0	35	-2.0	-117.50	341.35	-0.12	-117.62
COC(=O)C1=CC(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])=C(Br)O1	REAL300010821535	1	31	-2.0	-102.37	322.58	-0.53	-102.90
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])O1	REAL300010821549	1	31	-2.0	-105.44	302.44	-1.13	-106.57
CC(O)(C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821551	0	30	-2.0	-127.50	285.60	1.79	-125.71
CC(O)(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010821554	1	28	-2.0	-116.27	282.54	1.02	-115.25
CC(O)(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821563	0	30	-2.0	-112.53	309.70	2.83	-109.70
CC(O)(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821595	1	30	-2.0	-123.60	292.96	2.32	-121.28
CN1C=C(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])C(=O)N(C)C1=O	REAL300010821648	1	34	-2.0	-115.41	309.48	-0.90	-116.31
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C)(O)C(=O)[O-]	REAL300010821661	1	34	-2.0	-126.91	317.37	-1.42	-128.33
CC(O)(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821687	1	30	-2.0	-116.70	298.52	2.18	-114.52
COC(=O)C1=COC(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])=C1	REAL300010821724	1	31	-2.0	-109.90	302.78	-1.19	-111.09
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])O1	REAL300010821755	1	34	-2.0	-105.67	324.31	-0.22	-105.89
CC(O)(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010821761	1	31	-2.0	-115.43	301.36	2.24	-113.19
CC(O)(C[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821762	1	30	-2.0	-113.88	302.75	2.29	-111.59
CC(O)(C[N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010821765	1	25	-2.0	-109.79	275.21	-0.35	-110.14
CC(O)(C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010821771	1	27	-2.0	-103.76	292.86	-0.61	-104.37
CCN1C=C(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010821775	1	33	-2.0	-116.74	313.22	0.97	-115.77
CC(O)(C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821776	1	30	-2.0	-119.41	295.55	1.44	-117.97
CC(O)(C[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821779	1	30	-2.0	-116.56	303.08	2.29	-114.27
CC(O)(CNS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010821782	1	36	-2.0	-99.79	332.38	-2.99	-102.78
CC(O)(C[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010821800	1	25	-2.0	-103.99	290.72	0.34	-103.65
CC(O)(C[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010821830	0	29	-2.0	-109.06	292.19	0.76	-108.30
CC(O)(C[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821843	1	29	-2.0	-119.73	278.71	0.85	-118.88
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010821877	0	33	-2.0	-100.26	321.80	-0.53	-100.79
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010821877	1	33	-2.0	-100.21	321.86	-0.54	-100.75
CC1=C(Br)SC(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])=N1	REAL300010821881	0	27	-2.0	-105.43	291.40	-1.67	-107.10
CCCCCCN1C=C(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])C(=O)NC1=O	REAL300010821888	1	46	-2.0	-114.06	399.12	0.83	-113.23
CC(O)(C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010821889	0	28	-2.0	-99.63	290.48	0.56	-99.07
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821896	0	43	-2.0	-105.57	371.20	-2.35	-107.92
CC(O)(C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010821904	1	27	-2.0	-109.05	281.88	-0.47	-109.52
CC(O)(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010821908	1	28	-2.0	-103.66	296.49	1.59	-102.07
CC(O)(C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010821909	1	27	-2.0	-101.07	288.33	-0.73	-101.80
COC(=O)C1=C(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])SC=N1	REAL300010821944	0	30	-2.0	-115.23	303.08	-2.18	-117.41
COC(=O)C1=COC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C1	REAL300010823013	1	33	-2.0	-112.17	310.66	1.94	-110.23
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])O1	REAL300010823044	1	36	-2.0	-108.00	332.77	2.91	-105.09
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010823050	1	33	-2.0	-118.17	309.24	5.35	-112.82
CC(C)(C[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823051	1	32	-2.0	-116.47	311.21	5.41	-111.06
CC(C)(C[N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010823054	1	27	-2.0	-112.88	283.08	2.76	-110.12
CC(C)(C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010823060	1	29	-2.0	-106.25	300.39	2.51	-103.74
CCN1C=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010823064	1	35	-2.0	-118.92	321.67	4.09	-114.83
CC(C)(C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823065	1	32	-2.0	-121.97	303.08	4.55	-117.42
CC(C)(C[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823068	1	32	-2.0	-119.28	311.20	5.41	-113.87
CC(C)(CNS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010823071	1	38	-2.0	-105.08	339.53	0.07	-105.01
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010823089	1	27	-2.0	-106.85	298.83	3.46	-103.39
CC(C)(C[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010823119	0	31	-2.0	-111.90	300.07	3.87	-108.03
CC(C)(C[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823132	1	31	-2.0	-121.87	285.75	3.94	-117.93
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010823166	0	35	-2.0	-104.92	329.14	2.57	-102.35
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010823166	1	35	-2.0	-104.89	329.19	2.57	-102.32
CC1=C(Br)SC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=N1	REAL300010823169	0	29	-2.0	-108.77	299.52	1.45	-107.32
CCCCCCN1C=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])C(=O)NC1=O	REAL300010823176	1	48	-2.0	-116.37	407.58	3.96	-112.41
CC(C)(C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010823177	0	30	-2.0	-102.03	298.01	3.68	-98.35
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823184	0	45	-2.0	-110.25	377.46	0.72	-109.53
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010823192	1	29	-2.0	-111.61	290.34	2.64	-108.97
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010823196	1	30	-2.0	-106.19	304.94	4.72	-101.47
CC(C)(C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010823197	1	29	-2.0	-103.93	296.79	2.38	-101.55
COC(=O)C1=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])SC=N1	REAL300010823233	0	32	-2.0	-117.70	311.54	0.95	-116.75
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCCC(=O)[O-])C(F)=C1	REAL300010833027	0	28	-2.0	-103.49	283.97	3.29	-100.20
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010833067	0	32	-2.0	-94.73	315.08	2.04	-92.69
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010833067	1	32	-2.0	-94.66	315.13	2.03	-92.63
CC1=C(Br)SC(S(=O)(=O)[N-]CCCC(=O)[O-])=N1	REAL300010833070	0	26	-2.0	-100.16	282.83	0.86	-99.30
CCCCCCN1C=C(S(=O)(=O)[N-]CCCC(=O)[O-])C(=O)NC1=O	REAL300010833077	1	45	-2.0	-109.62	390.89	3.37	-106.25
O=C([O-])CCC[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010833078	0	27	-2.0	-94.83	281.91	3.09	-91.74
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(OC)=C1	REAL300010833083	1	45	-2.0	-95.19	390.66	1.30	-93.89
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833085	0	42	-2.0	-100.54	366.93	0.23	-100.31
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010833091	1	26	-2.0	-104.01	273.65	2.05	-101.96
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010833096	1	27	-2.0	-98.48	288.26	4.13	-94.35
O=C([O-])CCC[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010833097	1	26	-2.0	-96.32	280.11	1.80	-94.52
COC(=O)C1=C(S(=O)(=O)[N-]CCCC(=O)[O-])SC=N1	REAL300010833125	0	29	-2.0	-111.17	294.85	0.36	-110.81
CC(C)(CC[N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010839007	1	33	-2.0	-106.96	299.86	3.61	-103.35
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010839009	1	30	-2.0	-99.35	310.80	3.64	-95.71
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010839015	1	33	-2.0	-100.68	327.72	5.29	-95.39
CC(C)(CC[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010839020	0	33	-2.0	-99.99	320.45	4.21	-95.78
CC(C)(CC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010839022	1	33	-2.0	-99.81	320.46	4.21	-95.60
CC(C)(CC[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010839023	1	33	-2.0	-98.91	305.57	3.65	-95.26
CC(C)(CC[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010839036	0	33	-2.0	-104.81	302.29	3.83	-100.98
CN1C=NC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C1Cl	REAL300010839051	1	33	-2.0	-115.68	305.86	2.98	-112.70
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010839088	1	37	-2.0	-109.33	325.02	3.95	-105.38
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])C(F)=C1Cl	REAL300010839106	0	40	-2.0	-113.03	365.21	3.28	-109.75
COC(=O)C1=CC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C(Br)O1	REAL300010839111	1	36	-2.0	-98.36	347.30	2.88	-95.48
COC(=O)C1=CC=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])O1	REAL300010839125	1	36	-2.0	-102.05	327.50	2.28	-99.77
CC(C)(CC[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839128	0	35	-2.0	-121.85	313.94	5.22	-116.63
CC(C)(CC[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010839131	1	33	-2.0	-111.17	307.59	4.43	-106.74
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839140	0	35	-2.0	-107.76	338.68	6.22	-101.54
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839169	1	35	-2.0	-118.16	321.65	5.72	-112.44
CN1C=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])C(=O)N(C)C1=O	REAL300010839219	1	39	-2.0	-111.92	333.95	2.49	-109.43
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010839233	1	39	-2.0	-121.67	341.51	1.97	-119.70
CC(C)(CC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839261	1	35	-2.0	-111.94	322.65	5.59	-106.35
CC(C)(CC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010839295	1	36	-2.0	-110.23	317.13	3.88	-106.35
COC(=O)C1=COC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C1	REAL300010839307	1	36	-2.0	-106.14	327.26	2.22	-103.92
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])O1	REAL300010839341	1	39	-2.0	-102.04	348.78	3.19	-98.85
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010839348	1	36	-2.0	-110.48	326.42	5.63	-104.85
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839349	1	35	-2.0	-109.60	327.21	5.70	-103.90
CC(C)(CC[N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010839352	1	30	-2.0	-104.59	300.26	3.06	-101.53
CC(C)(CC[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010839358	1	32	-2.0	-99.92	317.57	2.80	-97.12
CCN1C=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010839362	1	38	-2.0	-113.19	337.69	4.36	-108.83
CC(C)(CC[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839363	1	35	-2.0	-115.96	321.37	4.88	-111.08
CC(C)(CC[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839366	1	35	-2.0	-111.84	327.21	5.70	-106.14
CC(C)(CCNS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010839369	1	41	-2.0	-93.94	358.16	0.42	-93.52
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010839387	1	30	-2.0	-99.48	315.44	3.75	-95.73
CC(C)(CC[N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010839389	1	33	-2.0	-110.27	299.17	3.60	-106.67
CC(C)(CC[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010839417	0	34	-2.0	-104.27	316.67	4.15	-100.12
CC(C)(CC[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839432	1	34	-2.0	-115.99	303.77	4.25	-111.74
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010839466	0	38	-2.0	-94.12	347.78	2.93	-91.19
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010839466	1	38	-2.0	-94.07	347.84	2.92	-91.15
CC1=C(Br)SC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=N1	REAL300010839470	0	32	-2.0	-100.68	315.53	1.73	-98.95
CCCCCCN1C=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])C(=O)NC1=O	REAL300010839478	1	51	-2.0	-110.28	423.60	4.22	-106.06
CC(C)(CC[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010839479	0	33	-2.0	-95.62	315.20	3.96	-91.66
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010839491	1	32	-2.0	-104.81	306.94	2.93	-101.88
CC(C)(CC[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010839495	1	32	-2.0	-97.11	313.39	2.67	-94.44
COC(=O)C1=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])SC=N1	REAL300010839533	0	35	-2.0	-112.18	328.14	1.24	-110.94
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](CC)C(=O)[O-])O1	REAL300010842002	1	33	-2.0	-121.78	308.23	3.13	-118.65
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010842007	1	30	-2.0	-133.61	287.19	5.43	-128.18
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842008	1	29	-2.0	-129.09	287.88	5.58	-123.51
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010842011	1	24	-2.0	-128.90	259.13	3.00	-125.90
CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010842014	1	26	-2.0	-120.59	276.43	2.73	-117.86
CC[C@@H]([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842017	1	32	-2.0	-131.71	299.07	4.23	-127.48
CC[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842018	1	29	-2.0	-134.50	279.19	4.77	-129.73
CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842021	1	29	-2.0	-133.37	287.72	5.59	-127.78
CC[C@@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010842024	1	35	-2.0	-110.46	332.11	-0.07	-110.53
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010842038	1	24	-2.0	-123.42	276.23	3.60	-119.82
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010842066	0	28	-2.0	-128.92	278.05	4.01	-124.91
CC[C@@H]([N-]S(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010842101	0	26	-2.0	-125.18	277.35	1.56	-123.62
CCCCCCN1C=C(S(=O)(=O)[N-][C@H](CC)C(=O)[O-])C(=O)NC1=O	REAL300010842107	1	45	-2.0	-126.90	383.06	4.15	-122.75
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010842108	0	27	-2.0	-116.77	274.06	3.86	-112.91
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(OC)=C1	REAL300010842113	1	45	-2.0	-106.45	397.05	1.40	-105.05
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300010842115	0	42	-2.0	-119.85	376.08	0.24	-119.61
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010842121	1	26	-2.0	-124.04	265.83	2.80	-121.24
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010842126	1	27	-2.0	-118.90	280.42	4.88	-114.02
CC[C@@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010842127	1	26	-2.0	-119.77	274.16	2.53	-117.24
CC[C@@H]([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010842153	0	29	-2.0	-134.92	283.52	1.70	-133.22
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010844399	1	39	-2.0	-105.49	348.15	2.08	-103.41
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010844496	0	36	-2.0	-91.76	324.59	3.65	-88.11
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010844496	1	36	-2.0	-91.75	324.65	3.65	-88.10
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=NC=C[N-]3)CC2)C1	REAL300010847001	0	39	-2.0	-89.51	331.04	1.94	-87.57
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=CC(F)=CC=C3[O-])CC2)C1	REAL300010847022	0	43	-2.0	-92.92	360.45	4.51	-88.41
O=C([O-])C1CC(=O)N(C2CCN(S(=O)(=O)C3=CC(F)=CC=C3[O-])CC2)C1	REAL300010847100	0	43	-2.0	-92.92	360.45	4.51	-88.41
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300010847186	1	46	-2.0	-99.33	375.46	5.10	-94.23
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(F)=C1	REAL300010847599	1	39	-2.0	-102.30	353.26	2.68	-99.62
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010847696	0	36	-2.0	-101.04	344.48	5.06	-95.98
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010847696	1	36	-2.0	-100.99	344.54	5.05	-95.94
COC(=O)C1=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])SC=N1	REAL300010849027	0	29	-2.0	-116.93	292.12	0.25	-116.68
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)O1	REAL300010850033	1	39	-2.0	-122.02	352.19	3.41	-118.61
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010850040	1	36	-2.0	-130.91	329.25	5.84	-125.07
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850041	1	35	-2.0	-132.41	330.63	5.92	-126.49
CC(C)C(C[N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010850044	1	30	-2.0	-122.70	303.09	3.28	-119.42
CC(C)C(C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010850050	1	32	-2.0	-116.96	320.39	3.02	-113.94
CCN1C=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300010850054	1	38	-2.0	-128.55	341.11	4.58	-123.97
CC(C)C(C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850055	1	35	-2.0	-138.62	319.15	4.93	-133.69
CC(C)C(C[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850058	1	35	-2.0	-133.83	330.62	5.93	-127.90
CC(C)C(CNS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010850061	1	41	-2.0	-101.20	360.96	0.64	-100.56
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010850079	1	30	-2.0	-112.00	312.53	3.97	-108.03
CC(C)C(C[N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010850081	1	33	-2.0	-129.90	296.84	3.83	-126.07
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010850109	0	34	-2.0	-122.98	320.08	4.37	-118.61
CC(C)C(C[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850124	1	34	-2.0	-140.10	306.59	4.46	-135.64
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010850158	0	38	-2.0	-93.10	350.56	3.13	-89.97
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010850158	1	38	-2.0	-93.10	350.62	3.12	-89.98
CC1=C(Br)SC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=N1	REAL300010850162	0	32	-2.0	-115.55	313.79	1.94	-113.61
CCCCCCN1C=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)C(=O)NC1=O	REAL300010850170	1	51	-2.0	-130.82	421.27	4.47	-126.35
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010850171	0	33	-2.0	-110.31	312.29	4.19	-106.12
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010850183	1	32	-2.0	-120.15	304.03	3.15	-117.00
CC(C)C(C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010850187	1	32	-2.0	-113.52	316.23	2.90	-110.62
COC(=O)C1=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)SC=N1	REAL300010850225	0	35	-2.0	-124.68	324.45	1.52	-123.16
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853005	1	41	-2.0	-130.72	361.77	6.57	-124.15
CC1=CSC(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300010853012	1	36	-2.0	-131.83	330.26	3.44	-128.39
CN1N=NN=C1S(=O)(=O)[N-]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853016	1	35	-2.0	-119.68	314.61	1.90	-117.78
CC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853029	0	40	-2.0	-103.10	348.57	6.56	-96.54
CC(C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300010853031	1	40	-2.0	-138.37	354.87	5.07	-133.30
CC(C[N-]S(=O)(=O)C1=CC=C(Br)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853060	1	34	-2.0	-120.85	326.15	4.62	-116.23
CC(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853083	1	37	-2.0	-120.34	349.30	5.06	-115.28
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010855004	1	38	-2.0	-104.81	341.91	1.61	-103.20
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010855099	0	35	-2.0	-101.93	326.13	3.88	-98.05
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010855099	1	35	-2.0	-101.92	326.19	3.88	-98.04
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300010855117	0	45	-2.0	-114.98	384.10	2.15	-112.83
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1	REAL300010856031	1	35	-2.0	-124.21	309.12	4.56	-119.65
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(F)=C1Cl	REAL300010856047	0	38	-2.0	-130.38	350.39	3.78	-126.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C(Br)O1	REAL300010856052	1	34	-2.0	-111.99	331.70	3.33	-108.66
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)O1	REAL300010856066	1	34	-2.0	-120.15	311.25	2.78	-117.37
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCC1	REAL300010856069	0	33	-2.0	-145.88	296.04	6.05	-139.83
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCC1	REAL300010856072	1	31	-2.0	-126.89	292.03	4.87	-122.02
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CCC1	REAL300010856081	0	33	-2.0	-118.80	321.64	6.62	-112.18
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCC1	REAL300010856109	1	33	-2.0	-128.74	299.06	6.23	-122.51
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)CCC1	REAL300010856150	1	30	-2.0	-112.04	298.65	3.12	-108.92
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(=O)N(C)C1=O	REAL300010856157	1	37	-2.0	-133.83	318.41	2.97	-130.86
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1	REAL300010856171	1	37	-2.0	-139.60	324.18	2.75	-136.85
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCC1	REAL300010856196	1	33	-2.0	-124.47	307.77	6.05	-118.42
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCC1	REAL300010856228	1	34	-2.0	-127.66	301.22	4.47	-123.19
COC(=O)C1=COC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C1	REAL300010856240	1	34	-2.0	-121.75	311.22	2.93	-118.82
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)O1	REAL300010856273	1	37	-2.0	-116.75	332.87	3.79	-112.96
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CCC1	REAL300010856280	1	34	-2.0	-124.92	310.22	6.14	-118.78
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])CCC1	REAL300010856281	1	33	-2.0	-122.57	309.53	6.04	-116.53
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)C=CS2)CCC1	REAL300010856284	1	28	-2.0	-119.18	280.92	3.82	-115.36
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CCC1	REAL300010856290	1	30	-2.0	-115.19	302.01	3.26	-111.93
CCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C([N+](=O)[O-])=N1	REAL300010856294	1	36	-2.0	-129.74	323.84	4.84	-124.90
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCC1	REAL300010856295	1	33	-2.0	-132.12	304.75	5.44	-126.68
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])CCC1	REAL300010856298	1	33	-2.0	-124.40	312.33	6.14	-118.26
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C(F)=C1	REAL300010856300	1	39	-2.0	-100.80	333.43	0.52	-100.28
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)CCC1	REAL300010856316	1	28	-2.0	-111.80	298.68	4.39	-107.41
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=CC(F)=C2F)CCC1	REAL300010856318	1	31	-2.0	-130.50	282.97	4.25	-126.25
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(F)=C1	REAL300010856345	0	32	-2.0	-121.10	300.75	4.80	-116.30
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCC1	REAL300010856359	1	32	-2.0	-130.01	285.52	4.58	-125.43
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1	REAL300010856391	0	36	-2.0	-94.46	325.90	3.07	-91.39
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1	REAL300010856391	1	36	-2.0	-94.41	325.96	3.06	-91.35
CCCCCCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)C(=O)NC1=O	REAL300010856402	1	49	-2.0	-131.81	407.38	4.86	-126.95
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCC1	REAL300010856403	0	31	-2.0	-111.58	298.71	4.60	-106.98
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCC1	REAL300010856415	1	30	-2.0	-117.86	290.47	3.56	-114.30
O=C([O-])CC1([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCC1	REAL300010856419	1	30	-2.0	-106.38	298.94	3.17	-103.21
COC(=O)C1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)SC=N1	REAL300010856455	0	33	-2.0	-124.51	306.32	2.42	-122.09
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=C1F	REAL300010858020	1	37	-2.0	-127.31	343.75	3.73	-123.58
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)O1	REAL300010858030	1	37	-2.0	-120.62	345.37	1.78	-118.84
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)OC=C1	REAL300010858041	0	34	-2.0	-137.08	316.62	2.32	-134.76
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=N1	REAL300010858043	0	33	-2.0	-139.97	305.88	1.71	-138.26
CC1=NSC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858048	1	30	-2.0	-122.36	297.15	1.39	-120.97
CN1N=CC=C1C([N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010858053	1	37	-2.0	-121.64	337.70	4.67	-116.97
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010858075	1	30	-2.0	-119.90	289.91	1.09	-118.81
CN1N=CC=C1C([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)[O-]	REAL300010858078	1	31	-2.0	-157.03	284.31	-1.20	-158.23
CN1N=CC=C1C([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010858079	1	35	-2.0	-158.69	314.13	0.27	-158.42
CCS(=O)(CC)=NS(=O)(=O)[N-]C(C(=O)[O-])C1=CC=NN1C	REAL300010858085	1	37	-2.0	-157.21	327.41	0.57	-156.64
CN1N=CC=C1C(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010858105	0	32	-2.0	-102.27	306.91	1.38	-100.89
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=NN1C	REAL300010858107	1	34	-2.0	-143.77	313.99	0.43	-143.34
CN1N=CC=C1C([N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010858110	1	40	-2.0	-159.00	342.51	0.89	-158.11
CN1N=CC=C1C(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010858145	0	39	-2.0	-96.77	340.01	2.54	-94.23
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=NN1C	REAL300010858164	1	35	-2.0	-131.23	318.91	3.65	-127.58
CC1=CSC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=N1	REAL300010858174	1	30	-2.0	-129.10	292.98	0.39	-128.71
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010858191	1	35	-2.0	-135.98	339.54	5.00	-130.98
CN1N=CC=C1C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010858193	0	34	-2.0	-106.08	328.23	3.39	-102.69
CN1N=CC=C1C(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010858198	0	32	-2.0	-101.30	323.92	2.32	-98.98
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858215	1	35	-2.0	-115.83	345.23	4.44	-111.39
CN1N=CC=C1C(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010858280	0	32	-2.0	-102.27	306.91	1.38	-100.89
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010858284	1	33	-2.0	-119.25	323.99	2.26	-116.99
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010858288	1	33	-2.0	-119.25	323.99	2.26	-116.99
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=C(C2=CC=CC=C2)O1	REAL300010858304	1	40	-2.0	-140.37	357.74	2.11	-138.26
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=N1	REAL300010858320	1	33	-2.0	-125.04	299.67	-0.13	-125.17
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858328	1	37	-2.0	-109.73	351.16	0.49	-109.24
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=N[N-]1	REAL300010858328	1	37	-2.0	-109.66	351.27	0.50	-109.16
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858330	0	34	-2.0	-118.95	337.56	2.28	-116.67
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)C(F)=C1	REAL300010858334	1	35	-2.0	-134.83	323.06	2.32	-132.51
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(C#N)C=CO1)C(=O)[O-]	REAL300010858346	1	29	-2.0	-126.32	280.81	1.48	-124.84
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=NN1C	REAL300010858347	1	34	-2.0	-143.77	313.99	0.43	-143.34
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)C=C(Cl)S1	REAL300010858356	1	34	-2.0	-136.37	344.94	4.09	-132.28
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(Cl)OC=C1)C(=O)[O-]	REAL300010858358	1	28	-2.0	-123.56	277.71	1.52	-122.04
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(C#N)OC=C1)C(=O)[O-]	REAL300010858374	0	29	-2.0	-125.12	281.87	1.41	-123.71
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)S1	REAL300010858384	1	40	-2.0	-96.99	365.52	0.55	-96.44
CN1N=CC=C1C([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010858387	1	30	-2.0	-133.75	305.40	1.71	-132.04
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858392	1	34	-2.0	-131.95	318.24	4.96	-126.99
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=NN1C	REAL300010858437	1	37	-2.0	-152.33	338.06	4.71	-147.62
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010858442	1	27	-2.0	-117.85	288.05	1.39	-116.46
CC1=CC=C([O-])C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010858462	1	35	-2.0	-109.19	321.82	1.99	-107.20
CN1N=CC=C1C(NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010858463	0	36	-2.0	-104.82	334.98	2.63	-102.19
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010858478	1	27	-2.0	-122.63	293.65	5.22	-117.41
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010858503	1	24	-2.0	-121.36	271.59	3.50	-117.86
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010858507	1	27	-2.0	-122.54	289.09	5.12	-117.42
CC[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010858509	0	27	-2.0	-118.06	286.10	3.49	-114.57
CC[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010858511	1	27	-2.0	-117.97	286.09	3.49	-114.48
CC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010858559	1	31	-2.0	-133.61	286.40	3.62	-129.99
CC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858582	0	29	-2.0	-147.14	274.78	5.04	-142.10
CC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010858585	1	27	-2.0	-128.21	273.12	3.70	-124.51
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858594	0	29	-2.0	-124.25	301.71	5.40	-118.85
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858624	1	29	-2.0	-140.18	282.47	5.52	-134.66
CC[C@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010858670	1	33	-2.0	-125.47	300.81	1.76	-123.71
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC)C(=O)[O-]	REAL300010858682	1	33	-2.0	-149.52	302.90	1.87	-147.65
CC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858705	1	29	-2.0	-136.36	284.02	5.42	-130.94
CC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)C=C1F)C(=O)[O-]	REAL300010858735	1	33	-2.0	-125.64	325.28	4.55	-121.09
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC)C(=O)[O-])O1	REAL300010858757	1	33	-2.0	-120.94	314.97	2.47	-118.47
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010858762	1	30	-2.0	-134.82	284.50	5.32	-129.50
CC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858763	1	29	-2.0	-129.15	289.63	5.04	-124.11
CC[C@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010858766	1	24	-2.0	-130.39	261.06	2.93	-127.46
CC[C@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010858769	1	26	-2.0	-116.24	283.33	2.06	-114.18
CC[C@H]([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858772	1	32	-2.0	-137.01	297.42	4.04	-132.97
CC[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858773	1	29	-2.0	-141.83	282.15	4.59	-137.24
CC[C@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858776	1	29	-2.0	-136.23	288.58	5.53	-130.70
CC[C@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010858779	1	35	-2.0	-104.09	319.53	-0.48	-104.57
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010858793	1	24	-2.0	-121.43	276.22	3.60	-117.83
CC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010858821	0	28	-2.0	-122.55	282.92	3.44	-119.11
CC[C@H]([N-]S(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010858856	0	26	-2.0	-117.18	282.14	0.96	-116.22
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H](CC)C(=O)[O-])C(=O)NC1=O	REAL300010858862	1	45	-2.0	-136.02	384.97	3.97	-132.05
CC[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010858863	0	27	-2.0	-118.15	276.00	3.81	-114.34
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C(OC)=C1	REAL300010858868	1	45	-2.0	-106.88	381.30	1.36	-105.52
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300010858870	0	42	-2.0	-118.89	375.04	0.20	-118.69
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010858876	1	26	-2.0	-125.12	272.21	2.20	-122.92
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010858881	1	27	-2.0	-115.11	287.08	4.28	-110.83
CC[C@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010858882	1	26	-2.0	-112.27	279.04	1.95	-110.32
CC[C@H]([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010858908	0	29	-2.0	-132.12	288.93	1.11	-131.01
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010860019	0	36	-2.0	-92.23	336.36	3.06	-89.17
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010860019	1	36	-2.0	-92.17	336.41	3.05	-89.12
CC1=C(Br)SC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300010860023	0	30	-2.0	-100.42	300.50	2.09	-98.33
CCCCCCN1C=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)C(=O)NC1=O	REAL300010860031	1	49	-2.0	-108.78	408.72	4.65	-104.13
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C1	REAL300010860032	0	31	-2.0	-94.67	299.15	4.35	-90.32
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300010860044	1	30	-2.0	-105.74	290.31	3.33	-102.41
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300010860048	1	30	-2.0	-96.09	297.44	3.09	-93.00
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)SC=N1	REAL300010860086	0	33	-2.0	-112.03	312.08	1.64	-110.39
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300010870044	1	41	-2.0	-102.65	365.98	4.69	-97.96
CCOC(=O)C1=CC(S(=O)(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N[N-]1	REAL300010870044	1	41	-2.0	-102.58	366.09	4.70	-97.88
CC1=CC=C([O-])C(S(=O)(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300010870161	1	39	-2.0	-102.51	330.75	6.15	-96.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010870539	1	38	-2.0	-102.40	331.88	1.50	-100.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010870634	0	35	-2.0	-97.37	320.98	3.54	-93.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010870634	1	35	-2.0	-97.31	321.04	3.53	-93.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC	REAL300010870652	0	45	-2.0	-110.92	375.12	2.22	-108.70
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884002	1	37	-2.0	-112.09	344.99	2.66	-109.43
CCOC(=O)C1=CC(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=N[N-]1	REAL300010884002	1	37	-2.0	-112.07	345.09	2.67	-109.40
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884004	0	34	-2.0	-123.59	340.62	3.90	-119.69
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300010884008	1	35	-2.0	-136.61	324.02	4.21	-132.40
N#CC1=C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])OC=C1	REAL300010884021	1	29	-2.0	-129.36	287.90	3.10	-126.26
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=CC=C1C(=O)[O-]	REAL300010884022	1	34	-2.0	-146.33	317.04	2.30	-144.03
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300010884060	1	40	-2.0	-109.68	366.94	2.93	-106.75
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC1=CC=CC=C1C(=O)[O-]	REAL300010884113	1	37	-2.0	-147.54	335.08	6.28	-141.26
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010884118	1	27	-2.0	-119.99	290.00	3.05	-116.94
CC1=CC=C([O-])C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010884136	1	35	-2.0	-116.60	308.18	4.27	-112.33
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010884137	0	36	-2.0	-118.41	336.72	4.97	-113.44
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010884535	1	39	-2.0	-110.31	339.65	1.61	-108.70
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010884626	0	36	-2.0	-96.92	325.55	4.43	-92.49
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010884626	1	36	-2.0	-96.88	325.60	4.42	-92.46
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300010887013	1	34	-2.0	-103.56	321.68	2.87	-100.69
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300010887019	1	31	-2.0	-112.04	299.00	5.27	-106.77
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300010887020	1	30	-2.0	-109.44	302.62	5.38	-104.06
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300010887023	1	25	-2.0	-107.22	270.01	2.83	-104.39
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300010887029	1	27	-2.0	-101.74	289.91	2.48	-99.26
CCN1C=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300010887033	1	33	-2.0	-112.55	310.56	4.04	-108.51
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300010887034	1	30	-2.0	-121.14	293.99	4.56	-116.58
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300010887037	1	30	-2.0	-112.66	300.46	5.35	-107.31
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887040	1	36	-2.0	-92.35	331.33	0.03	-92.32
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300010887058	1	25	-2.0	-101.63	288.15	3.41	-98.22
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887090	0	29	-2.0	-106.90	289.52	3.82	-103.08
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C1	REAL300010887103	1	29	-2.0	-115.33	276.44	3.90	-111.43
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010887136	0	33	-2.0	-94.63	320.83	2.48	-92.15
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010887136	1	33	-2.0	-94.63	320.89	2.47	-92.16
CC1=C(Br)SC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300010887139	0	27	-2.0	-104.51	288.85	1.35	-103.16
CCCCCCN1C=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C(=O)NC1=O	REAL300010887146	1	46	-2.0	-109.52	396.51	3.91	-105.61
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C1	REAL300010887147	0	28	-2.0	-98.07	287.85	3.64	-94.43
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887154	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=C(Cl)C=CN=C2Cl)C1	REAL300010887162	1	27	-2.0	-107.51	279.58	2.59	-104.92
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)C1	REAL300010887166	1	28	-2.0	-101.71	293.85	4.67	-97.04
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300010887167	1	27	-2.0	-99.65	285.70	2.34	-97.31
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)SC=N1	REAL300010887199	0	30	-2.0	-112.72	295.73	1.49	-111.23
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010890187	1	39	-2.0	-94.74	346.56	1.76	-92.98
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010890284	0	36	-2.0	-88.63	332.21	4.04	-84.59
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010890284	1	36	-2.0	-88.58	332.27	4.03	-84.55
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010891014	1	37	-2.0	-97.65	330.68	2.68	-94.97
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=N[N-]1	REAL300010891014	1	37	-2.0	-97.60	330.79	2.68	-94.92
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010891074	1	40	-2.0	-97.40	349.24	2.81	-94.59
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010891141	0	36	-2.0	-109.00	322.30	4.96	-104.04
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010891554	1	39	-2.0	-105.21	332.73	2.29	-102.92
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010891651	0	36	-2.0	-92.05	318.99	4.74	-87.31
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010891651	1	36	-2.0	-92.01	319.05	4.73	-87.28
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010893018	0	36	-2.0	-118.73	317.79	4.76	-113.97
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010893018	1	36	-2.0	-118.71	317.85	4.75	-113.96
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010894288	1	39	-2.0	-94.49	346.05	1.73	-92.76
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010894385	0	36	-2.0	-107.64	331.50	4.01	-103.63
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010894385	1	36	-2.0	-107.58	331.56	4.00	-103.58
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897001	0	43	-2.0	-103.90	377.82	0.50	-103.40
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300010897009	1	27	-2.0	-105.67	277.33	2.66	-103.01
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)C1	REAL300010897013	1	28	-2.0	-101.33	293.83	4.66	-96.67
O=C([O-])C1CC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300010897014	1	27	-2.0	-99.22	285.98	2.34	-96.88
COC(=O)C1=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)SC=N1	REAL300010897046	0	30	-2.0	-110.25	298.84	0.97	-109.28
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898011	1	34	-2.0	-120.95	311.24	1.82	-119.13
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C1	REAL300010898038	1	30	-2.0	-111.30	293.64	5.31	-105.99
COC(=O)C1=COC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898071	1	31	-2.0	-105.93	298.59	1.96	-103.97
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)O1	REAL300010898102	1	34	-2.0	-103.09	320.07	2.93	-100.16
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300010898108	1	31	-2.0	-110.35	297.08	5.35	-105.00
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300010898109	1	30	-2.0	-108.16	298.56	5.41	-102.75
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300010898112	1	25	-2.0	-105.53	271.31	2.78	-102.75
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300010898118	1	27	-2.0	-99.82	288.64	2.52	-97.30
CCN1C=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300010898122	1	33	-2.0	-115.33	309.00	4.07	-111.26
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300010898123	1	30	-2.0	-113.44	292.40	4.62	-108.82
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300010898126	1	30	-2.0	-110.63	301.37	5.45	-105.18
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898129	1	36	-2.0	-92.46	330.58	0.05	-92.41
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300010898147	1	25	-2.0	-100.02	286.50	3.47	-96.55
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898179	0	29	-2.0	-104.80	288.31	3.88	-100.92
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C1	REAL300010898192	1	29	-2.0	-118.03	274.18	3.92	-114.11
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010898225	0	33	-2.0	-95.59	320.62	2.55	-93.04
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010898225	1	33	-2.0	-95.58	320.68	2.54	-93.04
CC1=C(Br)SC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300010898228	0	27	-2.0	-102.05	286.88	1.47	-100.58
CCCCCCN1C=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C(=O)NC1=O	REAL300010898235	1	46	-2.0	-113.07	394.88	3.96	-109.11
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C1	REAL300010898236	0	28	-2.0	-96.20	285.89	3.69	-92.51
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898243	0	43	-2.0	-101.88	382.66	0.64	-101.24
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300010898251	1	27	-2.0	-104.62	277.99	2.65	-101.97
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)C1	REAL300010898255	1	28	-2.0	-99.62	292.24	4.74	-94.88
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300010898256	1	27	-2.0	-97.46	284.11	2.40	-95.06
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)SC=N1	REAL300010898288	0	30	-2.0	-111.31	293.83	1.55	-109.76
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901010	1	33	-2.0	-132.40	297.64	1.24	-131.16
CC(C)([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901032	1	29	-2.0	-122.35	278.03	4.76	-117.59
COC(=O)C1=CC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C(F)C=C1Br	REAL300010901063	1	33	-2.0	-111.57	320.04	3.97	-107.60
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])O1	REAL300010901086	1	33	-2.0	-111.83	304.92	2.48	-109.35
CC(C)([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010901091	1	30	-2.0	-120.43	281.97	4.90	-115.53
CC(C)([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901092	1	29	-2.0	-119.99	282.29	4.88	-115.11
CC(C)([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010901095	1	24	-2.0	-113.87	255.82	2.35	-111.52
CC(C)([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010901098	1	26	-2.0	-109.09	273.12	2.07	-107.02
CCN1C=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010901102	1	32	-2.0	-123.72	293.83	3.60	-120.12
CC(C)([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901103	1	29	-2.0	-126.51	276.92	4.14	-122.37
CC(C)([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901106	1	29	-2.0	-122.29	282.60	4.87	-117.42
CC(C)(NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010901108	1	35	-2.0	-94.95	316.26	-0.53	-95.48
CC(C)([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010901121	1	24	-2.0	-108.48	270.98	3.02	-105.46
CC(C)([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010901152	0	28	-2.0	-114.04	272.81	3.44	-110.60
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010901188	0	32	-2.0	-93.15	296.11	1.53	-91.62
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010901188	1	32	-2.0	-93.14	296.18	1.52	-91.62
CCCCCCN1C=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])C(=O)NC1=O	REAL300010901197	1	45	-2.0	-120.56	379.73	3.50	-117.06
CC(C)([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010901198	0	27	-2.0	-104.71	270.75	3.24	-101.47
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(OC)=C1	REAL300010901203	1	45	-2.0	-95.25	381.75	0.85	-94.40
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901205	0	42	-2.0	-105.69	360.25	-0.22	-105.91
CC(C)([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010901211	1	26	-2.0	-114.27	262.49	2.20	-112.07
CC(C)([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010901216	1	27	-2.0	-108.41	277.11	4.30	-104.11
CC(C)([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010901217	1	26	-2.0	-105.89	268.95	1.98	-103.91
COC(=O)C1=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])SC=N1	REAL300010901245	0	29	-2.0	-122.63	283.69	0.52	-122.11
CCC(C[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010903021	1	30	-2.0	-116.81	292.08	3.40	-113.41
CCC(C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010903047	1	27	-2.0	-113.10	291.92	3.36	-109.74
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010903052	1	30	-2.0	-116.66	314.34	5.03	-111.63
CCC(C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010903056	0	30	-2.0	-113.55	301.58	3.93	-109.62
CCC(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010903058	1	30	-2.0	-115.30	306.49	3.94	-111.36
CCC(C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010903059	1	30	-2.0	-112.24	287.27	3.38	-108.86
CCC(C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010903068	0	30	-2.0	-121.83	288.92	3.57	-118.26
CCC(C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010903116	1	34	-2.0	-125.68	311.64	3.69	-121.99
CCC(C[N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300010903130	0	37	-2.0	-128.41	347.20	2.99	-125.42
CCC(C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903135	1	33	-2.0	-114.41	333.34	2.61	-111.80
CCC(C[N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300010903149	1	33	-2.0	-117.88	309.20	2.10	-115.78
CCC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903151	0	32	-2.0	-143.90	299.98	4.96	-138.94
CCC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010903154	1	30	-2.0	-127.63	289.30	4.25	-123.38
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903163	0	32	-2.0	-120.12	316.25	6.07	-114.05
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903195	1	32	-2.0	-134.00	301.60	5.62	-128.38
CCC(C[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010903247	1	36	-2.0	-124.38	320.57	2.22	-122.16
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(CC)C(=O)[O-]	REAL300010903260	1	36	-2.0	-139.61	328.13	1.72	-137.89
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903286	1	32	-2.0	-125.58	304.35	5.32	-120.26
CCC(C[N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010903320	1	33	-2.0	-121.82	313.88	1.96	-119.86
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC(CC)C(=O)[O-])O1	REAL300010903351	1	36	-2.0	-118.37	331.06	3.02	-115.35
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010903357	1	33	-2.0	-128.72	312.46	5.36	-123.36
CCC(C[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903358	1	32	-2.0	-130.27	313.85	5.42	-124.85
CCC(C[N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010903361	1	27	-2.0	-118.71	281.97	2.88	-115.83
CCC(C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010903367	1	29	-2.0	-112.67	298.69	2.52	-110.15
CCC(C[N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903371	1	35	-2.0	-129.79	317.84	4.31	-125.48
CCC(C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903372	1	32	-2.0	-127.11	302.49	4.61	-122.50
CCC(C[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903375	1	32	-2.0	-125.43	308.92	5.42	-120.01
CCC(CNS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010903378	1	38	-2.0	-97.94	338.63	0.18	-97.76
CCC(C[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010903396	1	27	-2.0	-113.15	296.56	3.46	-109.69
CCC(C[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010903426	0	31	-2.0	-118.55	298.78	3.99	-114.56
CCC(C[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903439	1	31	-2.0	-131.33	279.98	4.13	-127.20
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010903473	0	35	-2.0	-97.85	334.38	2.64	-95.21
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010903473	1	35	-2.0	-97.80	334.44	2.63	-95.17
CCC(C[N-]S(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010903476	0	29	-2.0	-116.03	302.16	1.46	-114.57
CCCCCCN1C=C(S(=O)(=O)[N-]CC(CC)C(=O)[O-])C(=O)NC1=O	REAL300010903483	1	48	-2.0	-131.81	410.22	3.97	-127.84
CCC(C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010903484	0	30	-2.0	-108.85	296.32	3.68	-105.17
CCC(CNS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300010903491	0	45	-2.0	-108.52	377.37	0.78	-107.74
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010903499	1	29	-2.0	-121.74	292.98	2.66	-119.08
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010903503	1	30	-2.0	-114.96	307.58	4.73	-110.23
CCC(C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010903504	1	29	-2.0	-107.68	295.10	2.50	-105.18
CCC(C[N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010903540	0	32	-2.0	-126.53	314.18	0.97	-125.56
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915011	0	45	-2.0	-103.71	390.04	2.21	-101.50
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010916011	1	33	-2.0	-128.86	306.72	5.92	-122.94
CN1C=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])C(=O)N(C)C1=O	REAL300010916060	1	37	-2.0	-131.75	318.84	2.68	-129.07
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010916074	1	37	-2.0	-137.26	325.73	2.28	-134.98
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010916102	1	33	-2.0	-127.72	309.41	5.96	-121.76
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010916135	1	34	-2.0	-127.09	301.35	4.21	-122.88
COC(=O)C1=COC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1	REAL300010916147	1	34	-2.0	-121.05	308.35	3.18	-117.87
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])O1	REAL300010916181	1	37	-2.0	-117.78	332.99	3.55	-114.23
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010916188	1	34	-2.0	-121.47	306.93	6.57	-114.90
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010916189	1	33	-2.0	-126.28	313.97	6.06	-120.22
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010916192	1	28	-2.0	-117.94	277.46	4.08	-113.86
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010916198	1	30	-2.0	-112.98	301.19	3.14	-109.84
CCN1C=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010916202	1	36	-2.0	-126.46	318.78	5.29	-121.17
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010916203	1	33	-2.0	-135.07	304.97	5.22	-129.85
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010916206	1	33	-2.0	-127.53	313.98	6.06	-121.47
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(F)=C1	REAL300010916209	1	39	-2.0	-107.37	343.61	1.00	-106.37
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010916227	1	28	-2.0	-112.37	299.12	4.08	-108.29
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010916229	1	31	-2.0	-128.28	283.35	3.94	-124.34
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])C(F)=C1	REAL300010916257	0	32	-2.0	-117.20	298.05	5.13	-112.07
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010916272	1	32	-2.0	-133.32	287.38	4.56	-128.76
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010916306	0	36	-2.0	-110.78	333.53	3.47	-107.31
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010916306	1	36	-2.0	-110.69	333.59	3.46	-107.23
CC1=C(Br)SC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=N1	REAL300010916310	0	30	-2.0	-114.41	299.74	2.08	-112.33
CCCCCCN1C=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])C(=O)NC1=O	REAL300010916318	1	49	-2.0	-129.72	407.80	4.57	-125.15
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010916319	0	31	-2.0	-107.85	295.70	4.91	-102.94
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010916331	1	30	-2.0	-117.07	292.78	3.22	-113.85
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010916335	1	30	-2.0	-109.01	297.03	3.02	-105.99
COC(=O)C1=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])SC=N1	REAL300010916373	0	33	-2.0	-130.08	306.38	2.17	-127.91
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2Cl)CCCCC1	REAL300010921001	1	33	-2.0	-133.34	286.10	4.15	-129.19
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300010921006	1	43	-2.0	-112.45	351.86	2.36	-110.09
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CCCCC1	REAL300010921010	0	33	-2.0	-136.54	300.29	4.21	-132.33
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CCCCC1	REAL300010921036	1	36	-2.0	-136.78	301.44	4.95	-131.83
O=C([O-])C1([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)CCCCC1	REAL300010921042	0	33	-2.0	-123.49	306.61	4.82	-118.67
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1	REAL300010921057	1	40	-2.0	-134.39	349.69	7.23	-127.16
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1	REAL300010921059	1	40	-2.0	-156.48	329.62	7.12	-149.36
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=NS2)CCCCC1	REAL300010921065	0	30	-2.0	-117.03	282.24	3.86	-113.17
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2C(F)F)CCCCC1	REAL300010921073	1	36	-2.0	-137.73	299.52	4.55	-133.18
CC1=CC=C([O-])C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300010921080	1	38	-2.0	-118.10	306.08	3.51	-114.59
O=C([O-])C1(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CCCCC1	REAL300010921081	0	39	-2.0	-125.30	318.23	4.57	-120.73
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010921105	1	31	-2.0	-119.12	287.68	4.40	-114.72
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010921110	0	31	-2.0	-131.28	278.57	4.70	-126.58
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010921133	1	31	-2.0	-122.49	281.52	4.34	-118.15
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010921135	1	28	-2.0	-112.91	293.04	4.57	-108.34
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010921141	1	31	-2.0	-114.95	310.63	5.95	-109.00
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010921146	0	31	-2.0	-115.01	302.08	4.94	-110.07
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010921148	1	31	-2.0	-114.43	302.58	5.14	-109.29
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010921149	1	31	-2.0	-113.12	288.26	4.60	-108.52
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010921162	0	31	-2.0	-120.64	285.21	4.49	-116.15
CN1C=NC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300010921177	1	31	-2.0	-130.35	286.30	4.00	-126.35
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921214	1	35	-2.0	-124.81	307.83	4.89	-119.92
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1Cl	REAL300010921233	0	38	-2.0	-126.84	346.99	4.23	-122.61
COC(=O)C1=CC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C(Br)O1	REAL300010921238	1	34	-2.0	-111.91	329.37	3.82	-108.09
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])O1	REAL300010921252	1	34	-2.0	-117.89	309.72	3.20	-114.69
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010921255	0	33	-2.0	-141.35	294.63	6.07	-135.28
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010921258	1	31	-2.0	-125.64	289.83	5.35	-120.29
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010921267	0	33	-2.0	-122.58	316.97	7.15	-115.43
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010921296	1	33	-2.0	-134.13	300.24	6.35	-127.78
CN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(=O)N(C)C1=O	REAL300010921345	1	37	-2.0	-129.69	317.12	3.09	-126.60
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921359	1	37	-2.0	-135.16	321.70	2.98	-132.18
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010921387	1	33	-2.0	-126.62	304.70	6.38	-120.24
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010921420	1	34	-2.0	-129.57	299.38	4.61	-124.96
COC(=O)C1=COC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921432	1	34	-2.0	-120.38	308.72	3.19	-117.19
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])O1	REAL300010921466	1	37	-2.0	-118.28	331.58	4.14	-114.14
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010921473	1	34	-2.0	-122.34	307.90	6.52	-115.82
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010921474	1	33	-2.0	-125.36	309.24	6.48	-118.88
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010921477	1	28	-2.0	-118.60	278.68	4.17	-114.43
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010921483	1	30	-2.0	-114.06	299.67	3.73	-110.33
CCN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010921487	1	36	-2.0	-130.05	319.21	5.33	-124.72
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010921488	1	33	-2.0	-130.78	299.38	5.90	-124.88
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010921491	1	33	-2.0	-126.66	309.26	6.48	-120.18
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010921494	1	39	-2.0	-107.40	343.15	0.98	-106.42
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010921512	1	28	-2.0	-113.08	297.67	4.67	-108.41
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010921514	1	31	-2.0	-127.40	281.87	4.54	-122.86
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010921542	0	32	-2.0	-119.55	299.62	4.80	-114.75
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010921557	1	32	-2.0	-131.46	283.66	5.21	-126.25
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010921591	0	36	-2.0	-91.67	333.53	3.48	-88.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010921591	1	36	-2.0	-91.59	333.59	3.47	-88.12
CC1=C(Br)SC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300010921595	0	30	-2.0	-114.98	298.51	2.38	-112.60
CCCCCCN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(=O)NC1=O	REAL300010921603	1	49	-2.0	-127.76	406.29	5.18	-122.58
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010921604	0	31	-2.0	-108.21	296.18	4.92	-103.29
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010921616	1	30	-2.0	-118.19	289.05	3.86	-114.33
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010921620	1	30	-2.0	-109.45	295.61	3.32	-106.13
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])SC=N1	REAL300010921658	0	33	-2.0	-122.06	305.23	2.70	-119.36
COC(=O)C1=COC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C1	REAL300010936016	1	33	-2.0	-106.21	295.52	1.91	-104.30
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])O1	REAL300010936047	1	36	-2.0	-101.92	317.05	2.89	-99.03
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010936053	1	33	-2.0	-110.89	294.09	5.31	-105.58
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010936054	1	32	-2.0	-109.52	294.44	5.28	-104.24
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010936057	1	27	-2.0	-105.65	267.95	2.77	-102.88
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010936063	1	29	-2.0	-100.04	285.25	2.49	-97.55
CCN1C=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010936067	1	35	-2.0	-112.71	305.96	4.02	-108.69
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010936068	1	32	-2.0	-115.46	289.05	4.56	-110.90
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010936071	1	32	-2.0	-112.02	294.75	5.27	-106.75
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010936074	1	38	-2.0	-92.54	329.56	-0.13	-92.67
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010936092	1	27	-2.0	-99.98	283.11	3.43	-96.55
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010936122	0	31	-2.0	-104.93	284.93	3.85	-101.08
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010936135	1	31	-2.0	-115.44	271.46	3.85	-111.59
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010936169	0	35	-2.0	-88.10	309.20	1.95	-86.15
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010936169	1	35	-2.0	-88.08	309.26	1.94	-86.14
CC1=C(Br)SC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=N1	REAL300010936172	0	29	-2.0	-102.72	283.99	1.40	-101.32
CCCCCCN1C=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])C(=O)NC1=O	REAL300010936179	1	48	-2.0	-109.97	391.86	3.91	-106.06
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010936180	0	30	-2.0	-95.63	282.88	3.65	-91.98
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936187	0	45	-2.0	-100.30	373.87	0.22	-100.08
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010936195	1	29	-2.0	-105.03	274.63	2.62	-102.41
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010936199	1	30	-2.0	-99.39	289.24	4.71	-94.68
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010936200	1	29	-2.0	-97.40	281.08	2.39	-95.01
COC(=O)C1=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])SC=N1	REAL300010936236	0	32	-2.0	-111.57	295.82	0.93	-110.64
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010936249	1	27	-2.0	-101.68	260.02	1.90	-99.78
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010936257	1	30	-2.0	-112.32	271.69	3.97	-108.35
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(COC)(C(=O)[O-])CC2)=C1	REAL300010938016	1	44	-2.0	-105.35	374.14	2.82	-102.53
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(COC)(C(=O)[O-])CC2)=N[N-]1	REAL300010938016	1	44	-2.0	-105.26	374.24	2.82	-102.44
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=CC=C2[O-])CC1	REAL300010938138	1	42	-2.0	-109.44	339.47	4.45	-104.99
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(F)C(F)=C3F)(C1)C2	REAL300010938162	1	29	-2.0	-102.94	287.84	3.60	-99.34
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(F)C=CC=C3F)(C1)C2	REAL300010938167	0	29	-2.0	-116.20	278.29	3.66	-112.54
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(F)=CC=C3F)(C1)C2	REAL300010938190	1	29	-2.0	-108.02	281.69	3.51	-104.51
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)SC(Cl)=C3)(C1)C2	REAL300010938192	1	26	-2.0	-100.44	292.63	3.54	-96.90
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=C(Cl)C=C3Cl)(C1)C2	REAL300010938197	1	29	-2.0	-101.62	310.13	5.20	-96.42
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(F)=C(Br)C=C3F)(C1)C2	REAL300010938201	0	29	-2.0	-100.53	302.28	4.11	-96.42
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Br)=C(F)C=C3F)(C1)C2	REAL300010938203	1	29	-2.0	-100.43	302.28	4.11	-96.32
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(F)=C(F)C=C3F)(C1)C2	REAL300010938204	1	29	-2.0	-99.88	287.98	3.56	-96.32
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(F)C=C(F)C=C3F)(C1)C2	REAL300010938214	0	29	-2.0	-105.99	284.70	3.73	-102.26
CN1C=NC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C1Cl	REAL300010938229	1	29	-2.0	-115.24	287.25	2.98	-112.26
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C12CC(C(=O)[O-])(C1)C2	REAL300010938264	1	33	-2.0	-110.15	307.43	3.88	-106.27
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)C(F)=C1Cl	REAL300010938280	0	36	-2.0	-113.06	347.87	3.20	-109.86
COC(=O)C1=CC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C(Br)O1	REAL300010938285	1	32	-2.0	-99.11	329.12	2.78	-96.33
COC(=O)C1=CC=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)O1	REAL300010938299	1	32	-2.0	-101.98	309.33	2.18	-99.80
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(F)C=CC=C3[N+](=O)[O-])(C1)C2	REAL300010938302	0	31	-2.0	-122.98	295.77	5.15	-117.83
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(F)C=CC=C3Br)(C1)C2	REAL300010938305	1	29	-2.0	-112.49	289.42	4.36	-108.13
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=C(Cl)C=C3[N+](=O)[O-])(C1)C2	REAL300010938314	0	31	-2.0	-108.93	316.58	6.15	-102.78
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=CC=C3[N+](=O)[O-])(C1)C2	REAL300010938342	1	31	-2.0	-119.19	303.50	5.65	-113.54
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(Cl)N=C3Cl)(C1)C2	REAL300010938384	1	28	-2.0	-100.40	294.93	2.55	-97.85
CN1C=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)C(=O)N(C)C1=O	REAL300010938391	1	35	-2.0	-111.59	316.36	2.43	-109.16
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C12CC(C(=O)[O-])(C1)C2	REAL300010938404	1	35	-2.0	-122.93	323.93	1.89	-121.04
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Cl)=CC=C3[N+](=O)[O-])(C1)C2	REAL300010938430	1	31	-2.0	-112.53	307.60	5.58	-106.95
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC4=CC=CC=C4O3)(C1)C2	REAL300010938463	1	32	-2.0	-110.08	299.54	3.78	-106.30
COC(=O)C1=COC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938476	1	32	-2.0	-106.43	309.67	2.15	-104.28
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)O1	REAL300010938510	1	35	-2.0	-102.14	331.19	3.10	-99.04
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=CC=C3C(F)(F)F)(C1)C2	REAL300010938517	1	32	-2.0	-111.64	308.22	5.54	-106.10
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(Br)C=C3[N+](=O)[O-])(C1)C2	REAL300010938518	1	31	-2.0	-109.80	312.16	5.67	-104.13
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Br)C=CS3)(C1)C2	REAL300010938521	1	26	-2.0	-106.71	282.09	2.98	-103.73
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Br)=CN=C3Cl)(C1)C2	REAL300010938527	1	28	-2.0	-100.46	299.40	2.72	-97.74
CCN1C=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)C([N+](=O)[O-])=N1	REAL300010938531	1	34	-2.0	-112.70	320.10	4.30	-108.40
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=CC(F)=C3[N+](=O)[O-])(C1)C2	REAL300010938532	1	31	-2.0	-115.64	303.21	4.78	-110.86
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Br)=CC=C3[N+](=O)[O-])(C1)C2	REAL300010938535	1	31	-2.0	-112.43	312.17	5.68	-106.75
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(F)=C1	REAL300010938538	1	37	-2.0	-97.24	347.79	0.67	-96.57
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)SC(Br)=C3)(C1)C2	REAL300010938555	1	26	-2.0	-100.42	297.26	3.63	-96.79
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=CC(F)=C3F)(C1)C2	REAL300010938557	1	29	-2.0	-110.62	281.58	3.53	-107.09
N#CC1=CC(F)=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)C(F)=C1	REAL300010938585	0	30	-2.0	-105.51	299.08	4.06	-101.45
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=CN=C3[N+](=O)[O-])(C1)C2	REAL300010938600	1	30	-2.0	-116.05	285.60	4.18	-111.87
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)(C1)C2	REAL300010938634	0	34	-2.0	-111.17	324.41	2.63	-108.54
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)(C1)C2	REAL300010938634	1	34	-2.0	-111.13	324.46	2.63	-108.50
CC1=C(Br)SC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=N1	REAL300010938638	0	28	-2.0	-102.84	298.13	1.64	-101.20
CCCCCCN1C=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)C(=O)NC1=O	REAL300010938645	1	47	-2.0	-109.93	406.02	4.14	-105.79
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(F)C(F)=C(F)C(F)=C3F)(C1)C2	REAL300010938646	0	29	-2.0	-96.36	297.03	3.86	-92.50
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=CN=C3Cl)(C1)C2	REAL300010938658	1	28	-2.0	-105.68	288.75	2.86	-102.82
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=C(F)C=C3Br)(C1)C2	REAL300010938662	1	29	-2.0	-100.22	303.36	4.90	-95.32
O=C([O-])C12CC([N-]S(=O)(=O)C3=CN=C(Cl)C=C3Cl)(C1)C2	REAL300010938663	1	28	-2.0	-98.00	295.22	2.60	-95.40
COC(=O)C1=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)SC=N1	REAL300010938699	0	31	-2.0	-111.44	309.96	1.17	-110.27
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946001	1	29	-2.0	-133.12	273.18	3.69	-129.43
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C(F)=C1Cl	REAL300010946011	0	32	-2.0	-135.34	313.34	3.02	-132.32
COC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C(Br)O1	REAL300010946016	1	28	-2.0	-119.27	294.87	2.64	-116.63
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC1	REAL300010946030	0	27	-2.0	-145.17	261.53	4.93	-140.24
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CC1	REAL300010946033	1	25	-2.0	-131.96	255.17	4.13	-127.83
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300010946042	0	27	-2.0	-126.74	286.29	5.92	-120.82
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CC1	REAL300010946072	1	27	-2.0	-138.62	269.22	5.40	-133.22
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)CC1	REAL300010946111	1	24	-2.0	-118.69	260.68	2.36	-116.33
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C(=O)N(C)C1=O	REAL300010946117	1	31	-2.0	-133.58	283.04	1.95	-131.63
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946127	1	31	-2.0	-144.56	288.41	1.57	-142.99
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CC1	REAL300010946150	1	27	-2.0	-133.32	273.37	5.35	-127.97
COC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C(F)C=C1Br	REAL300010946179	1	31	-2.0	-122.70	312.06	4.43	-118.27
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)O1	REAL300010946201	1	31	-2.0	-123.27	296.94	2.97	-120.30
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CC1	REAL300010946205	1	28	-2.0	-131.13	273.93	5.31	-125.82
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])CC1	REAL300010946206	1	27	-2.0	-131.16	277.91	5.23	-125.93
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=CS2)CC1	REAL300010946209	1	22	-2.0	-125.09	244.05	2.96	-122.13
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CC1	REAL300010946212	1	24	-2.0	-119.60	265.15	2.55	-117.05
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300010946216	1	30	-2.0	-134.07	285.86	3.89	-130.18
O=C([O-])C1([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CC1	REAL300010946217	1	27	-2.0	-134.79	268.92	4.63	-130.16
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])CC1	REAL300010946220	1	27	-2.0	-133.17	277.93	5.45	-127.72
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(F)=C1	REAL300010946223	1	33	-2.0	-110.30	303.86	-0.15	-110.45
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)CC1	REAL300010946238	1	22	-2.0	-120.97	263.04	3.49	-117.48
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C(F)=C1	REAL300010946269	0	26	-2.0	-126.45	264.83	3.89	-122.56
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300010946306	0	30	-2.0	-94.26	293.84	1.78	-92.48
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300010946306	1	30	-2.0	-94.24	293.89	1.77	-92.47
CC1=C(Br)SC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=N1	REAL300010946309	0	24	-2.0	-124.56	263.68	1.51	-123.05
CCCCCCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C(=O)NC1=O	REAL300010946316	1	43	-2.0	-131.55	371.76	3.84	-127.71
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CC1	REAL300010946317	0	25	-2.0	-115.73	262.79	3.69	-112.04
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(OC)=C1	REAL300010946321	1	43	-2.0	-118.04	383.43	1.00	-117.04
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946323	0	40	-2.0	-105.82	357.45	-0.37	-106.19
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CC1	REAL300010946329	1	24	-2.0	-123.70	254.50	2.64	-121.06
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)CC1	REAL300010946334	1	25	-2.0	-117.24	269.12	4.70	-112.54
O=C([O-])C1([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CC1	REAL300010946335	1	24	-2.0	-115.90	260.98	2.40	-113.50
COC(=O)C1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)SC=N1	REAL300010946362	0	27	-2.0	-130.55	275.71	1.00	-129.55
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010947001	1	27	-2.0	-111.08	280.63	3.51	-107.57
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010947050	1	31	-2.0	-120.55	285.77	3.26	-117.29
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])C(F)=C1Cl	REAL300010947060	0	34	-2.0	-126.00	326.23	2.57	-123.43
COC(=O)C1=CC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C(Br)O1	REAL300010947065	1	30	-2.0	-110.96	307.48	2.18	-108.78
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010947079	0	29	-2.0	-132.49	274.16	4.47	-128.02
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010947082	1	27	-2.0	-121.45	267.77	3.72	-117.73
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010947091	0	29	-2.0	-121.02	296.97	5.59	-115.43
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010947121	1	29	-2.0	-126.87	282.18	4.99	-121.88
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010947169	1	33	-2.0	-129.43	295.09	1.80	-127.63
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010947181	1	33	-2.0	-135.14	302.27	1.30	-133.84
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010947205	1	29	-2.0	-121.68	282.35	4.81	-116.87
COC(=O)C1=CC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C(F)C=C1Br	REAL300010947236	1	33	-2.0	-113.22	324.66	3.99	-109.23
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])O1	REAL300010947260	1	33	-2.0	-112.48	309.54	2.51	-109.97
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010947265	1	30	-2.0	-120.73	286.57	4.94	-115.79
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010947266	1	29	-2.0	-118.27	287.22	4.90	-113.37
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010947269	1	24	-2.0	-116.42	260.44	2.37	-114.05
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010947272	1	26	-2.0	-110.69	277.75	2.11	-108.58
CCN1C=C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010947276	1	32	-2.0	-120.76	298.45	3.64	-117.12
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010947277	1	29	-2.0	-124.12	281.52	4.16	-119.96
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010947280	1	29	-2.0	-121.61	286.91	4.92	-116.69
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010947283	1	35	-2.0	-96.30	315.94	-0.60	-96.90
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010947298	1	24	-2.0	-111.11	275.60	3.05	-108.06
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010947329	0	28	-2.0	-116.22	277.43	3.45	-112.77
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010947369	0	32	-2.0	-100.04	309.05	1.97	-98.07
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010947369	1	32	-2.0	-100.06	309.11	1.96	-98.10
CC1=C(Br)SC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=N1	REAL300010947372	0	26	-2.0	-116.88	276.47	1.02	-115.86
CCCCCCN1C=C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])C(=O)NC1=O	REAL300010947379	1	45	-2.0	-117.21	384.35	3.51	-113.70
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010947380	0	27	-2.0	-107.12	275.37	3.26	-103.86
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(OC)=C1	REAL300010947385	1	45	-2.0	-101.86	380.70	1.28	-100.58
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947387	0	42	-2.0	-106.15	355.96	0.27	-105.88
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010947393	1	26	-2.0	-114.83	267.11	2.23	-112.60
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010947398	1	27	-2.0	-108.96	281.72	4.32	-104.64
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010947399	1	26	-2.0	-108.37	273.56	1.97	-106.40
COC(=O)C1=C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])SC=N1	REAL300010947427	0	29	-2.0	-128.00	288.31	0.55	-127.45
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010952014	0	32	-2.0	-106.26	303.17	2.22	-104.04
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=NC=CC=C2Cl)C1	REAL300010952017	1	33	-2.0	-112.05	297.84	3.17	-108.88
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300010952022	1	43	-2.0	-96.67	370.12	2.78	-93.89
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010952026	0	33	-2.0	-109.14	307.84	3.57	-105.57
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010952052	1	36	-2.0	-112.85	313.15	3.98	-108.87
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010952058	0	33	-2.0	-102.17	315.00	4.12	-98.05
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1CCCC(C(=O)[O-])C1	REAL300010952073	1	40	-2.0	-106.14	357.96	6.50	-99.64
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1CCCC(C(=O)[O-])C1	REAL300010952075	1	40	-2.0	-120.41	335.76	6.39	-114.02
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010952081	0	30	-2.0	-97.18	294.08	2.84	-94.34
CC1=CC=C([O-])C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300010952096	1	38	-2.0	-99.27	317.37	4.02	-95.25
O=C([O-])C1CCCC(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010952097	0	39	-2.0	-95.85	336.77	4.73	-91.12
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010952495	1	39	-2.0	-104.28	344.03	2.26	-102.02
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010952586	0	36	-2.0	-97.38	328.23	4.48	-92.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010952586	1	36	-2.0	-97.37	328.28	4.47	-92.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010953151	0	34	-2.0	-115.79	302.33	6.03	-109.76
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010953266	1	37	-2.0	-106.53	329.80	3.20	-103.33
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=N[N-]1	REAL300010953266	1	37	-2.0	-106.68	329.90	3.20	-103.48
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010953307	1	40	-2.0	-106.12	351.94	3.29	-102.83
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010953735	1	39	-2.0	-110.31	340.34	1.58	-108.73
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010953826	0	36	-2.0	-96.97	325.54	4.43	-92.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010953826	1	36	-2.0	-96.91	325.60	4.42	-92.49
O=C([O-])C1([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCC1	REAL300010955011	1	29	-2.0	-133.49	264.91	4.51	-128.98
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1	REAL300010955044	0	33	-2.0	-113.91	305.13	2.74	-111.17
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1	REAL300010955044	1	33	-2.0	-113.91	305.19	2.73	-111.18
CC1=C(Br)SC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=N1	REAL300010955047	0	27	-2.0	-125.65	277.98	2.12	-123.53
CCCCCCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)C(=O)NC1=O	REAL300010955054	1	46	-2.0	-126.76	385.91	4.58	-122.18
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCC1	REAL300010955055	0	28	-2.0	-115.21	278.49	4.13	-111.08
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955062	0	43	-2.0	-109.19	369.47	0.84	-108.35
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCC1	REAL300010955070	1	27	-2.0	-123.34	270.23	3.08	-120.26
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)CCC1	REAL300010955074	1	28	-2.0	-117.19	283.26	5.31	-111.88
O=C([O-])C1([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCC1	REAL300010955075	1	27	-2.0	-118.18	275.11	3.03	-115.15
COC(=O)C1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)SC=N1	REAL300010955107	0	30	-2.0	-137.81	284.83	1.91	-135.90
CCN1N=CC(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300010958009	1	43	-2.0	-123.11	341.21	3.03	-120.08
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300010958019	1	47	-2.0	-115.84	380.94	3.64	-112.20
CCOC(=O)C1=CC(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=N[N-]1	REAL300010958019	1	47	-2.0	-115.70	381.09	3.65	-112.05
COC1=CC(F)=C(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)C(F)=C1	REAL300010958023	1	45	-2.0	-129.22	357.83	5.49	-123.73
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C2	REAL300010958025	1	38	-2.0	-111.74	345.61	6.26	-105.48
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(C#N)C=CO1)C2	REAL300010958030	1	39	-2.0	-123.69	322.33	4.66	-119.03
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958031	1	44	-2.0	-135.20	351.49	3.79	-131.41
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=NNN=C1)C2	REAL300010958055	1	37	-2.0	-118.90	295.81	0.88	-118.02
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=NC=CC=C1Cl)C2	REAL300010958056	1	40	-2.0	-127.91	327.67	4.74	-123.17
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C2	REAL300010958087	1	43	-2.0	-128.51	338.83	5.47	-123.04
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010958101	1	47	-2.0	-142.57	371.37	7.38	-135.19
CC1=CC=C([O-])C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300010958131	1	45	-2.0	-115.67	343.99	5.63	-110.04
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010958491	1	36	-2.0	-106.45	332.27	1.40	-105.05
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010958580	0	33	-2.0	-96.92	314.39	3.48	-93.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010958580	1	33	-2.0	-96.86	314.43	3.48	-93.38
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958597	0	43	-2.0	-115.77	375.29	2.08	-113.69
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C2	REAL300010965003	1	31	-2.0	-123.17	305.48	6.12	-117.05
CN1C=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(=O)N(C)C1=O	REAL300010965052	1	35	-2.0	-115.08	317.84	2.88	-112.20
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965065	1	35	-2.0	-130.35	324.98	2.39	-127.96
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C2	REAL300010965091	1	31	-2.0	-121.03	307.53	5.94	-115.09
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC3=CC=CC=C3O1)C2	REAL300010965124	1	32	-2.0	-120.21	300.94	4.28	-115.93
COC(=O)C1=COC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965137	1	32	-2.0	-113.23	311.02	2.61	-110.62
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300010965171	1	35	-2.0	-111.59	332.26	3.59	-108.00
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C2	REAL300010965178	1	32	-2.0	-117.17	309.28	6.01	-111.16
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C2	REAL300010965179	1	31	-2.0	-113.96	313.25	6.11	-107.85
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C2	REAL300010965182	1	26	-2.0	-112.30	280.62	3.56	-108.74
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C2	REAL300010965188	1	28	-2.0	-108.27	300.79	3.18	-105.09
CCN1C=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C([N+](=O)[O-])=N1	REAL300010965192	1	34	-2.0	-125.29	321.16	4.76	-120.53
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C2	REAL300010965193	1	31	-2.0	-129.35	304.25	5.26	-124.09
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C2	REAL300010965196	1	31	-2.0	-120.84	312.09	6.05	-114.79
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010965199	1	37	-2.0	-98.00	342.61	0.74	-97.26
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C2	REAL300010965216	1	26	-2.0	-106.86	298.44	4.12	-102.74
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C2	REAL300010965218	1	29	-2.0	-121.37	282.64	4.00	-117.37
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010965246	0	30	-2.0	-112.14	300.46	4.56	-107.58
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C2	REAL300010965261	1	30	-2.0	-128.02	285.18	4.54	-123.48
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300010965295	0	34	-2.0	-103.14	332.42	3.24	-99.90
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300010965295	1	34	-2.0	-103.08	332.47	3.23	-99.85
CC1=C(Br)SC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300010965299	0	28	-2.0	-109.01	299.32	2.12	-106.89
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(=O)NC1=O	REAL300010965306	1	47	-2.0	-123.27	407.07	4.63	-118.64
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C2	REAL300010965307	0	29	-2.0	-103.55	298.41	4.36	-99.19
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C2	REAL300010965319	1	28	-2.0	-113.09	289.86	3.32	-109.77
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C2	REAL300010965323	1	29	-2.0	-106.67	304.45	5.40	-101.27
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C2	REAL300010965324	1	28	-2.0	-103.50	296.56	3.08	-100.42
COC(=O)C1=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC=N1	REAL300010965360	0	31	-2.0	-117.31	306.30	2.22	-115.09
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010966016	1	35	-2.0	-97.76	331.23	1.84	-95.92
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N[N-]1	REAL300010966016	1	35	-2.0	-97.70	331.33	1.85	-95.85
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010966018	0	32	-2.0	-107.56	325.75	3.16	-104.40
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966021	1	33	-2.0	-117.22	325.02	5.12	-112.10
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010966023	1	33	-2.0	-118.47	309.15	3.45	-115.02
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C2	REAL300010966028	1	26	-2.0	-104.11	296.23	3.99	-100.12
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C2	REAL300010966035	1	26	-2.0	-111.29	286.19	4.05	-107.24
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966038	1	32	-2.0	-129.94	303.12	1.46	-128.48
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C2	REAL300010966068	0	27	-2.0	-114.73	284.19	1.70	-113.03
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Cl)C2	REAL300010966072	1	28	-2.0	-122.09	279.70	2.54	-119.55
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010966076	1	38	-2.0	-97.46	352.23	2.14	-95.32
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C2	REAL300010966080	0	28	-2.0	-118.60	292.08	2.73	-115.87
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C2	REAL300010966104	1	31	-2.0	-121.50	293.87	3.46	-118.04
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C2	REAL300010966109	0	28	-2.0	-109.80	298.87	3.28	-106.52
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966121	1	35	-2.0	-114.31	338.84	5.92	-108.39
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010966123	1	35	-2.0	-131.15	323.94	5.46	-125.69
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C2	REAL300010966129	0	25	-2.0	-105.11	278.56	2.16	-102.95
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C2	REAL300010966139	0	34	-2.0	-96.99	321.45	4.16	-92.83
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CC1	REAL300010966160	1	28	-2.0	-119.86	280.13	3.64	-116.22
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CC1	REAL300010966186	1	25	-2.0	-110.70	284.89	3.60	-107.10
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CC1	REAL300010966191	1	28	-2.0	-113.95	302.40	5.26	-108.69
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CC1	REAL300010966195	0	28	-2.0	-114.25	294.54	4.18	-110.07
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CC1	REAL300010966197	1	28	-2.0	-114.17	294.57	4.18	-109.99
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CC1	REAL300010966198	1	28	-2.0	-112.94	280.26	3.63	-109.31
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CC1	REAL300010966207	0	28	-2.0	-119.95	276.96	3.80	-116.15
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010966252	1	32	-2.0	-125.51	299.72	3.93	-121.58
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)C(F)=C1Cl	REAL300010966265	0	35	-2.0	-127.36	339.87	3.25	-124.11
COC(=O)C1=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C(Br)O1	REAL300010966270	1	31	-2.0	-108.31	321.39	2.85	-105.46
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)O1	REAL300010966284	1	31	-2.0	-114.68	300.58	2.40	-112.28
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC1	REAL300010966286	0	30	-2.0	-136.51	288.07	5.19	-131.32
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CC1	REAL300010966289	1	28	-2.0	-125.65	280.68	4.55	-121.10
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300010966298	0	30	-2.0	-120.42	312.46	6.19	-114.23
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CC1	REAL300010966328	1	30	-2.0	-131.26	295.76	5.69	-125.57
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)C(=O)N(C)C1=O	REAL300010966380	1	34	-2.0	-123.65	309.01	2.46	-121.19
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010966392	1	34	-2.0	-136.82	314.92	2.04	-134.78
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CC1	REAL300010966419	1	30	-2.0	-125.46	297.32	5.57	-119.89
COC(=O)C1=COC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C1	REAL300010966452	1	31	-2.0	-120.81	301.93	2.19	-118.62
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)O1	REAL300010966483	1	34	-2.0	-114.94	322.45	3.33	-111.61
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CC1	REAL300010966489	1	31	-2.0	-123.46	298.20	5.54	-117.92
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])CC1	REAL300010966490	1	30	-2.0	-122.75	304.43	5.71	-117.04
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=CS2)CC1	REAL300010966493	1	25	-2.0	-118.13	274.36	3.03	-115.10
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CC1	REAL300010966499	1	27	-2.0	-111.98	291.66	2.77	-109.21
CCN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300010966503	1	33	-2.0	-129.46	311.78	4.33	-125.13
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CC1	REAL300010966504	1	30	-2.0	-131.81	289.65	5.12	-126.69
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])CC1	REAL300010966507	1	30	-2.0	-125.47	301.88	5.67	-119.80
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(F)=C1	REAL300010966510	1	36	-2.0	-93.29	330.16	0.43	-92.86
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)CC1	REAL300010966528	1	25	-2.0	-110.83	289.52	3.70	-107.13
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)C(F)=C1	REAL300010966560	0	29	-2.0	-118.34	291.35	4.13	-114.21
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CC1	REAL300010966573	1	29	-2.0	-130.86	273.01	4.29	-126.57
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300010966606	0	33	-2.0	-101.35	320.23	2.80	-98.55
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300010966606	1	33	-2.0	-101.30	320.29	2.79	-98.51
CC1=C(Br)SC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=N1	REAL300010966609	0	27	-2.0	-116.58	290.39	1.68	-114.90
CCCCCCN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)C(=O)NC1=O	REAL300010966616	1	46	-2.0	-129.01	398.27	4.21	-124.80
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CC1	REAL300010966617	0	28	-2.0	-108.11	288.29	4.09	-104.02
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966624	0	43	-2.0	-105.88	371.87	1.00	-104.88
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CC1	REAL300010966632	1	27	-2.0	-118.93	281.03	2.89	-116.04
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)CC1	REAL300010966636	1	28	-2.0	-110.20	294.63	5.13	-105.07
O=C([O-])C1(C[N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CC1	REAL300010966637	1	27	-2.0	-107.55	287.48	2.65	-104.90
COC(=O)C1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)SC=N1	REAL300010966669	0	30	-2.0	-121.85	297.22	1.78	-120.07
N#CCCC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973025	1	30	-2.0	-126.37	304.87	5.93	-120.44
N#CCCC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010973058	1	31	-2.0	-124.13	297.44	4.32	-119.81
COC(=O)C1=COC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1	REAL300010973071	1	31	-2.0	-114.37	314.29	2.00	-112.37
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])O1	REAL300010973105	1	34	-2.0	-114.33	329.05	3.64	-110.69
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010973112	1	31	-2.0	-126.56	305.41	5.82	-120.74
N#CCCC([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973113	1	30	-2.0	-121.71	309.08	6.04	-115.67
N#CCCC([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010973116	1	25	-2.0	-122.54	281.92	3.44	-119.10
N#CCCC([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010973122	1	27	-2.0	-113.75	299.22	3.15	-110.60
CCN1C=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010973126	1	33	-2.0	-121.68	318.01	4.80	-116.88
N#CCCC([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973127	1	30	-2.0	-132.53	307.53	4.67	-127.86
N#CCCC([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973130	1	30	-2.0	-126.26	309.45	6.04	-120.22
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(F)=C1	REAL300010973133	1	36	-2.0	-111.23	338.91	0.01	-111.22
N#CCCC([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010973151	1	25	-2.0	-107.31	302.04	3.51	-103.80
N#CCCC([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010973153	1	28	-2.0	-129.02	281.41	3.98	-125.04
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C[C@H]1C1CC1	REAL300010975043	0	36	-2.0	-95.29	316.35	4.88	-90.41
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1C1CC1	REAL300010975083	0	43	-2.0	-102.98	354.88	5.91	-97.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975131	0	38	-2.0	-104.98	338.51	6.66	-98.32
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C1CC1	REAL300010975136	0	36	-2.0	-99.81	335.04	5.56	-94.25
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C[C@H]1C1CC1	REAL300010975218	0	36	-2.0	-95.29	316.35	4.88	-90.41
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975266	1	41	-2.0	-93.91	362.50	3.73	-90.18
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N[N-]1	REAL300010975266	1	41	-2.0	-94.01	362.60	3.73	-90.28
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1	REAL300010975322	1	44	-2.0	-93.19	382.10	3.70	-89.49
CC1=CC=C([O-])C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300010975400	1	39	-2.0	-102.11	331.37	5.49	-96.62
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C[C@H]1C1CC1	REAL300010975401	0	40	-2.0	-106.74	357.99	6.19	-100.55
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(F)=C1	REAL300010975774	1	36	-2.0	-106.83	331.04	0.88	-105.95
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010975870	0	33	-2.0	-99.28	317.08	3.20	-96.08
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010975870	1	33	-2.0	-99.23	317.14	3.19	-96.04
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975888	0	43	-2.0	-120.57	369.31	1.28	-119.29
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300010977033	1	39	-2.0	-124.55	353.15	4.63	-119.92
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010977040	1	36	-2.0	-135.62	330.19	6.99	-128.63
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977041	1	35	-2.0	-133.36	331.58	7.09	-126.27
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010977044	1	30	-2.0	-130.63	302.12	4.55	-126.08
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010977050	1	32	-2.0	-122.19	319.43	4.28	-117.91
CCCC[C@@H]([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977054	1	38	-2.0	-133.85	342.07	5.79	-128.06
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977055	1	35	-2.0	-136.64	322.17	6.33	-130.31
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977058	1	35	-2.0	-137.85	331.20	7.09	-130.76
CCCC[C@@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010977061	1	41	-2.0	-98.43	374.68	1.44	-96.99
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010977079	1	30	-2.0	-123.81	317.29	5.21	-118.60
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010977081	1	33	-2.0	-133.57	301.59	5.08	-128.49
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010977109	0	34	-2.0	-130.93	321.03	5.56	-125.37
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977124	1	34	-2.0	-137.81	306.62	5.59	-132.22
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010977158	0	38	-2.0	-91.39	356.61	3.61	-87.78
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010977158	1	38	-2.0	-91.31	356.67	3.60	-87.71
CCCC[C@@H]([N-]S(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010977162	0	32	-2.0	-126.87	320.34	3.11	-123.76
CCCCCCN1C=C(S(=O)(=O)[N-][C@H](CCCC)C(=O)[O-])C(=O)NC1=O	REAL300010977170	1	51	-2.0	-128.96	426.05	5.71	-123.25
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010977171	0	33	-2.0	-119.83	318.99	5.35	-114.48
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010977183	1	32	-2.0	-127.60	310.75	4.30	-123.30
CCCC[C@@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010977187	1	32	-2.0	-120.07	315.24	4.15	-115.92
CCCC[C@@H]([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010977225	0	35	-2.0	-138.09	331.92	2.64	-135.45
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010978004	0	29	-2.0	-118.50	295.67	3.29	-115.21
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1[O-])C(=O)[O-]	REAL300010978016	1	37	-2.0	-117.77	326.89	3.88	-113.89
CCCC[C@@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010978017	0	38	-2.0	-107.34	345.22	4.56	-102.78
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010978041	1	33	-2.0	-129.09	309.80	5.09	-124.00
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010978046	0	33	-2.0	-137.94	304.98	4.59	-133.35
CCCC[C@H]([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010978069	1	33	-2.0	-134.75	303.69	5.03	-129.72
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010978071	1	30	-2.0	-123.32	314.59	5.05	-118.27
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010978077	1	33	-2.0	-122.02	337.20	6.12	-115.90
CCCC[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010978082	0	33	-2.0	-125.79	324.25	5.63	-120.16
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010978084	1	33	-2.0	-119.96	329.11	5.04	-114.92
CCCC[C@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010978085	1	33	-2.0	-118.78	314.81	4.50	-114.28
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010978098	0	33	-2.0	-131.99	306.67	5.23	-126.76
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010978113	1	33	-2.0	-138.31	307.29	4.51	-133.80
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010978150	1	37	-2.0	-138.27	329.42	5.35	-132.92
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300010978168	0	40	-2.0	-133.18	373.63	4.11	-129.07
CCCC[C@H]([N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978173	1	36	-2.0	-119.68	351.10	4.30	-115.38
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300010978187	1	36	-2.0	-122.54	336.10	3.10	-119.44
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978190	0	35	-2.0	-144.40	319.34	5.94	-138.46
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010978193	1	33	-2.0	-136.66	316.25	5.25	-131.41
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978202	0	35	-2.0	-125.97	344.72	6.95	-119.02
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978231	1	35	-2.0	-142.39	325.47	7.07	-135.32
CCCC[C@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010978281	1	39	-2.0	-132.02	338.36	3.90	-128.12
CCCC[C@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OCC)C(=O)[O-]	REAL300010978295	1	39	-2.0	-144.02	350.69	2.81	-141.21
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978323	1	35	-2.0	-137.85	326.19	6.83	-131.02
CCCC[C@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010978357	1	36	-2.0	-132.84	326.32	4.69	-128.15
CCCC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010978369	1	36	-2.0	-124.82	336.38	3.05	-121.77
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300010978403	1	39	-2.0	-127.76	353.15	4.63	-123.13
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010978410	1	36	-2.0	-131.28	334.45	6.39	-124.89
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978411	1	35	-2.0	-135.13	330.71	6.92	-128.21
CCCC[C@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010978414	1	30	-2.0	-124.79	308.86	3.87	-120.92
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010978420	1	32	-2.0	-122.68	321.36	4.20	-118.48
CCCC[C@H]([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978424	1	38	-2.0	-139.04	340.44	5.59	-133.45
CCCC[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978425	1	35	-2.0	-142.22	330.06	5.71	-136.51
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978428	1	35	-2.0	-132.87	334.99	6.67	-126.20
CCCC[C@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010978431	1	41	-2.0	-104.07	361.05	1.07	-103.00
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010978449	1	30	-2.0	-123.39	319.22	5.15	-118.24
CCCC[C@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010978451	1	33	-2.0	-138.99	303.54	5.03	-133.96
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010978479	0	34	-2.0	-130.85	321.05	5.56	-125.29
CCCC[C@H]([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978494	1	34	-2.0	-137.87	306.63	5.59	-132.28
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010978528	0	38	-2.0	-103.87	357.46	3.67	-100.20
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010978528	1	38	-2.0	-103.89	357.51	3.66	-100.23
CCCC[C@H]([N-]S(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010978532	0	32	-2.0	-119.40	325.14	2.51	-116.89
CCCCCCN1C=C(S(=O)(=O)[N-][C@@H](CCCC)C(=O)[O-])C(=O)NC1=O	REAL300010978540	1	51	-2.0	-134.97	432.76	5.06	-129.91
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010978541	0	33	-2.0	-119.87	319.00	5.36	-114.51
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010978553	1	32	-2.0	-128.82	310.71	4.30	-124.52
CCCC[C@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010978557	1	32	-2.0	-114.27	322.02	3.49	-110.78
CCCC[C@H]([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010978595	0	35	-2.0	-137.06	326.54	3.25	-133.81
CCCC[C@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010979013	0	36	-2.0	-136.54	340.43	5.99	-130.55
CCCC[C@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010979014	1	36	-2.0	-125.52	324.04	3.46	-122.06
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010979024	0	34	-2.0	-110.88	297.36	3.30	-107.58
CCCC[C@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010979026	1	36	-2.0	-151.26	324.02	2.50	-148.76
CCCC[C@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010979047	1	37	-2.0	-140.22	345.80	4.54	-135.68
CCCC[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010979073	0	41	-2.0	-96.87	344.80	4.34	-92.53
CCCC[C@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010979083	0	30	-2.0	-125.35	298.32	2.98	-122.37
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010979094	1	37	-2.0	-131.92	333.04	4.99	-126.93
CCCC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010979118	0	36	-2.0	-123.45	350.39	4.29	-119.16
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010979122	0	36	-2.0	-99.72	319.20	4.83	-94.89
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010979125	1	36	-2.0	-137.07	326.05	3.54	-133.53
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010979128	0	34	-2.0	-107.62	325.09	4.97	-102.65
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010979159	1	30	-2.0	-127.68	296.13	3.64	-124.04
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010979185	1	33	-2.0	-125.92	315.61	4.13	-121.79
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010979203	1	38	-2.0	-132.40	354.50	6.38	-126.02
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010979207	0	34	-2.0	-110.88	297.36	3.30	-107.58
CCCC[C@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010979208	1	39	-2.0	-132.29	369.26	6.14	-126.15
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010979214	0	33	-2.0	-127.07	326.43	5.22	-121.85
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010979215	1	35	-2.0	-126.89	332.76	4.17	-122.72
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010979218	1	35	-2.0	-126.89	332.76	4.17	-122.72
CCCC[C@H]([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010979220	1	37	-2.0	-141.71	348.70	5.32	-136.39
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010979223	1	33	-2.0	-128.64	319.26	5.51	-123.13
CCCC[C@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010979235	1	42	-2.0	-137.01	366.99	4.03	-132.98
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OCC)=N[N-]1)C(=O)[O-]	REAL300010979256	1	39	-2.0	-110.03	353.71	2.22	-107.81
CCCC[C@H](NS(=O)(=O)C1=N[N-]C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010979256	1	39	-2.0	-110.00	353.81	2.23	-107.77
CCCC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010979258	0	36	-2.0	-122.75	346.32	4.18	-118.57
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010979261	1	37	-2.0	-130.56	347.23	5.57	-124.99
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010979263	1	37	-2.0	-131.90	334.61	3.89	-128.01
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010979268	1	30	-2.0	-120.59	316.82	5.00	-115.59
CCCC[C@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010979277	1	36	-2.0	-151.26	324.02	2.50	-148.76
CCCC[C@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010979308	0	31	-2.0	-130.87	302.84	2.79	-128.08
CCCC[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010979311	1	32	-2.0	-135.61	305.42	2.97	-132.64
CCCC[C@H](NS(=O)(=O)C1=C(C)N=C([N-]C(=O)CC)S1)C(=O)[O-]	REAL300010979316	1	42	-2.0	-108.08	376.96	2.58	-105.50
CCCC[C@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010979320	0	32	-2.0	-134.53	317.67	3.16	-131.37
CCCC[C@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010979346	1	35	-2.0	-143.44	317.02	4.18	-139.26
CCCC[C@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010979352	0	32	-2.0	-128.83	317.86	4.37	-124.46
CCCC[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010979366	1	39	-2.0	-126.68	360.66	6.55	-120.13
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010979368	1	39	-2.0	-154.26	341.09	6.56	-147.70
CCCC[C@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010979374	0	29	-2.0	-118.03	300.54	2.72	-115.31
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC=C1[O-])C(=O)[O-]	REAL300010979386	1	37	-2.0	-120.59	312.36	3.88	-116.71
CCCC[C@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010979387	0	38	-2.0	-109.91	346.85	4.59	-105.32
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C2	REAL300010979411	1	29	-2.0	-102.89	289.23	4.07	-98.82
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C2	REAL300010979416	0	29	-2.0	-116.94	279.66	4.16	-112.78
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C2	REAL300010979439	1	29	-2.0	-108.68	282.78	4.01	-104.67
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C2	REAL300010979441	1	26	-2.0	-101.28	294.00	4.03	-97.25
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C2	REAL300010979446	1	29	-2.0	-102.22	311.23	5.69	-96.53
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C2	REAL300010979450	0	29	-2.0	-101.46	303.66	4.61	-96.85
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C2	REAL300010979452	1	29	-2.0	-101.20	303.36	4.60	-96.60
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C2	REAL300010979453	1	29	-2.0	-100.66	289.06	4.06	-96.60
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C2	REAL300010979463	0	29	-2.0	-106.75	285.80	4.22	-102.53
CN1C=NC(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300010979478	1	29	-2.0	-116.47	288.65	3.46	-113.01
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979513	1	33	-2.0	-111.28	308.48	4.35	-106.93
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1Cl	REAL300010979529	0	36	-2.0	-114.20	348.95	3.68	-110.52
COC(=O)C1=CC(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Br)O1	REAL300010979534	1	32	-2.0	-100.56	330.52	3.29	-97.27
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300010979548	1	32	-2.0	-102.60	310.39	2.66	-99.94
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C2	REAL300010979551	0	31	-2.0	-123.43	295.96	5.55	-117.88
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C2	REAL300010979554	1	29	-2.0	-112.50	290.47	4.82	-107.68
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C2	REAL300010979563	0	31	-2.0	-107.92	321.24	6.61	-101.31
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C2	REAL300010979591	1	31	-2.0	-119.85	303.90	6.06	-113.79
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(=O)N(C)C1=O	REAL300010979640	1	35	-2.0	-114.07	317.81	2.88	-111.19
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979653	1	35	-2.0	-123.62	325.31	2.38	-121.24
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C2	REAL300010979679	1	31	-2.0	-112.38	306.15	5.96	-106.42
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC3=CC=CC=C3O1)C2	REAL300010979712	1	32	-2.0	-110.75	300.95	4.28	-106.47
COC(=O)C1=COC(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979725	1	32	-2.0	-107.52	311.01	2.62	-104.90
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300010979759	1	35	-2.0	-102.71	332.25	3.59	-99.12
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C2	REAL300010979766	1	32	-2.0	-112.26	309.01	6.01	-106.25
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C2	REAL300010979767	1	31	-2.0	-109.14	310.65	6.08	-103.06
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C2	REAL300010979770	1	26	-2.0	-106.31	279.37	3.63	-102.68
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C2	REAL300010979776	1	28	-2.0	-101.00	300.77	3.20	-97.80
CCN1C=C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C([N+](=O)[O-])=N1	REAL300010979780	1	34	-2.0	-111.83	321.16	4.76	-107.07
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C2	REAL300010979781	1	31	-2.0	-114.81	304.26	5.29	-109.52
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C2	REAL300010979784	1	31	-2.0	-112.22	310.71	6.06	-106.16
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010979787	1	37	-2.0	-94.35	349.70	1.05	-93.30
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C2	REAL300010979804	1	26	-2.0	-101.33	298.63	4.13	-97.20
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C2	REAL300010979806	1	29	-2.0	-110.42	282.63	4.00	-106.42
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010979834	0	30	-2.0	-106.19	300.14	4.56	-101.63
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C2	REAL300010979849	1	30	-2.0	-115.04	286.94	4.62	-110.42
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300010979883	0	34	-2.0	-94.14	331.39	3.20	-90.94
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300010979883	1	34	-2.0	-94.04	331.45	3.20	-90.84
CC1=C(Br)SC(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300010979887	0	28	-2.0	-103.39	299.28	2.13	-101.26
CCCCCCN1C=C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(=O)NC1=O	REAL300010979894	1	47	-2.0	-109.41	407.09	4.63	-104.78
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C2	REAL300010979895	0	29	-2.0	-97.36	298.08	4.36	-93.00
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C2	REAL300010979907	1	28	-2.0	-106.46	289.80	3.32	-103.14
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C2	REAL300010979911	1	29	-2.0	-100.80	304.45	5.40	-95.40
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C2	REAL300010979912	1	28	-2.0	-98.84	296.27	3.07	-95.77
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC=N1	REAL300010979948	0	31	-2.0	-113.27	311.31	1.64	-111.63
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010981013	1	32	-2.0	-110.58	305.31	5.61	-104.97
COC(=O)C1=COC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C1	REAL300010981047	1	33	-2.0	-105.76	309.92	2.27	-103.49
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])O1	REAL300010981078	1	36	-2.0	-102.12	331.45	3.24	-98.88
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010981084	1	33	-2.0	-108.83	308.50	5.67	-103.16
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010981085	1	32	-2.0	-108.98	309.52	5.73	-103.25
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010981088	1	27	-2.0	-103.32	282.35	3.11	-100.21
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010981094	1	29	-2.0	-98.71	299.65	2.85	-95.86
CCN1C=C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010981098	1	35	-2.0	-110.37	320.36	4.38	-105.99
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010981099	1	32	-2.0	-116.36	302.28	4.88	-111.48
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010981102	1	32	-2.0	-110.41	309.87	5.72	-104.69
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010981105	1	38	-2.0	-108.58	351.36	0.58	-108.00
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010981123	1	27	-2.0	-98.29	297.51	3.78	-94.51
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010981153	0	31	-2.0	-102.87	299.33	4.20	-98.67
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010981166	1	31	-2.0	-112.63	285.86	4.22	-108.41
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010981200	0	35	-2.0	-95.79	333.40	2.74	-93.05
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010981200	1	35	-2.0	-95.74	333.46	2.73	-93.01
CC1=C(Br)SC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=N1	REAL300010981203	0	29	-2.0	-100.07	298.20	1.79	-98.28
CCCCCCN1C=C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])C(=O)NC1=O	REAL300010981210	1	48	-2.0	-110.99	406.26	4.28	-106.71
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010981211	0	30	-2.0	-94.68	297.28	4.00	-90.68
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981218	0	45	-2.0	-98.69	378.29	0.97	-97.72
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010981226	1	29	-2.0	-103.14	289.03	2.98	-100.16
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010981230	1	30	-2.0	-97.72	303.64	5.06	-92.66
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010981231	1	29	-2.0	-96.12	295.48	2.72	-93.40
COC(=O)C1=C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])SC=N1	REAL300010981267	0	32	-2.0	-109.89	307.08	1.89	-108.00
CC(CCC(=O)[O-])NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010982003	0	35	-2.0	-98.08	320.88	3.61	-94.47
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010982024	1	30	-2.0	-124.10	288.32	4.29	-119.81
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010982050	1	27	-2.0	-123.47	291.16	4.33	-119.14
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010982055	1	30	-2.0	-122.13	308.67	5.94	-116.19
CCC[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010982059	0	30	-2.0	-124.99	302.73	4.83	-120.16
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010982061	1	30	-2.0	-122.90	300.85	4.90	-118.00
CCC[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010982062	1	30	-2.0	-122.25	286.54	4.36	-117.89
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010982071	0	30	-2.0	-129.78	283.23	4.51	-125.27
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010982119	1	34	-2.0	-133.57	305.99	4.42	-129.15
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300010982133	0	37	-2.0	-140.08	348.35	3.90	-136.18
CCC[C@@H]([N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982138	1	33	-2.0	-123.03	329.56	3.52	-119.51
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300010982152	1	33	-2.0	-122.77	307.86	2.98	-119.79
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982154	0	32	-2.0	-148.54	296.26	5.83	-142.71
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010982157	1	30	-2.0	-133.53	287.96	5.06	-128.47
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982166	0	32	-2.0	-127.83	319.07	6.86	-120.97
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982198	1	32	-2.0	-141.58	304.28	6.30	-135.28
CCC[C@@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010982250	1	36	-2.0	-137.67	315.29	3.00	-134.67
CCC[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OCC)C(=O)[O-]	REAL300010982263	1	36	-2.0	-149.15	322.46	2.44	-146.71
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982289	1	32	-2.0	-135.69	303.25	6.27	-129.42
CCC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010982323	1	33	-2.0	-129.87	308.21	2.94	-126.93
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)OCC)O1)C(=O)[O-]	REAL300010982354	1	36	-2.0	-124.02	331.65	3.85	-120.17
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010982360	1	33	-2.0	-134.93	308.69	6.21	-128.72
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982361	1	32	-2.0	-131.79	311.14	6.28	-125.51
CCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010982364	1	27	-2.0	-130.15	280.63	3.77	-126.38
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010982370	1	29	-2.0	-123.08	299.86	3.42	-119.66
CCC[C@@H]([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982374	1	35	-2.0	-132.03	318.65	5.07	-126.96
CCC[C@@H]([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982375	1	32	-2.0	-135.93	300.67	5.55	-130.38
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982378	1	32	-2.0	-135.59	307.77	6.37	-129.22
CCC[C@@H](NS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010982381	1	38	-2.0	-98.28	353.19	0.65	-97.63
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010982399	1	27	-2.0	-123.44	295.80	4.43	-119.01
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010982429	0	31	-2.0	-128.91	297.61	4.84	-124.07
CCC[C@@H]([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982442	1	31	-2.0	-135.75	283.28	4.90	-130.85
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010982476	0	35	-2.0	-91.22	334.90	2.84	-88.38
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010982476	1	35	-2.0	-91.20	334.96	2.83	-88.37
CCC[C@@H]([N-]S(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010982479	0	29	-2.0	-125.23	296.92	2.40	-122.83
CCCCCCN1C=C(S(=O)(=O)[N-][C@H](CCC)C(=O)[O-])C(=O)NC1=O	REAL300010982486	1	48	-2.0	-128.27	404.55	4.93	-123.34
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010982487	0	30	-2.0	-119.18	297.49	4.57	-114.61
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300010982494	0	45	-2.0	-120.05	397.57	1.01	-119.04
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010982502	1	29	-2.0	-127.05	289.25	3.52	-123.53
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010982506	1	30	-2.0	-118.96	301.91	5.64	-113.32
CCC[C@@H]([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010982507	1	29	-2.0	-120.91	295.67	3.30	-117.61
CCC[C@@H]([N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010982543	0	32	-2.0	-137.48	310.42	1.85	-135.63
CC(NC(=O)C(=O)[O-])C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CS1	REAL300011487079	0	35	-2.0	-101.06	334.37	4.16	-96.90
O=C([O-])C(=O)NCC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1	REAL300011487163	1	35	-2.0	-87.30	333.71	4.26	-83.04
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C(=O)[O-])=C1	REAL300011487214	0	30	-2.0	-97.72	292.66	2.52	-95.20
O=C([O-])C(=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1	REAL300011487215	0	38	-2.0	-83.82	320.89	2.04	-81.78
CCOC(=O)C1=N[N-]C(C2=CC=CC(CNC(=O)C(=O)[O-])=C2)=N1	REAL300011487366	1	35	-2.0	-95.27	329.04	5.69	-89.58
O=C([O-])C(=O)NC1=CC=C([N-]S(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1	REAL300011487374	1	38	-2.0	-98.66	345.95	3.16	-95.50
O=C([O-])C(=O)NC1=CC=C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C=C1	REAL300011487375	0	32	-2.0	-99.16	325.06	5.32	-93.84
O=C([O-])C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	REAL300011487411	0	33	-2.0	-84.24	305.71	-0.35	-84.59
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)C(=O)[O-])S1	REAL300011487420	0	34	-2.0	-96.47	305.00	2.38	-94.09