O=C([O-])CCC1CCCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010001232	0	43	-2.0	-110.33	347.46	5.35	-104.98
O=C([O-])CCC1CCCCN1CCS(=O)(=O)CC(=O)[O-]	REAL300010001622	1	39	-2.0	-115.56	321.20	4.13	-111.43
CC(CN(C)CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1)C(=O)[O-]	REAL300010002714	0	36	-2.0	-93.63	310.70	3.41	-90.22
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN(C)CC(C)C(=O)[O-])S1	REAL300010003202	1	46	-2.0	-92.59	389.19	6.92	-85.67
CC(=O)NCCN(CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1)C(C)C(=O)[O-]	REAL300010003965	0	43	-2.0	-110.55	355.54	0.75	-109.80
CC(=O)NCCN(CC(=O)[N-]C1=NN=CS1)C(C)C(=O)[O-]	REAL300010004247	1	36	-2.0	-108.53	315.80	-0.72	-109.25
CC(=O)NCCN(CCS(=O)(=O)CC(=O)[O-])C(C)C(=O)[O-]	REAL300010004332	0	39	-2.0	-111.96	332.28	0.11	-111.85
CC(=O)NCCN(CC(=O)N[N-]C(=O)C1=CC=CS1)C(C)C(=O)[O-]	REAL300010004406	1	42	-2.0	-128.83	363.61	0.08	-128.75
CC(=O)NCCN(CC1=CC([O-])=CC=C1[N+](=O)[O-])C(C)C(=O)[O-]	REAL300010004541	0	40	-2.0	-113.73	327.87	3.44	-110.29
CC(=O)NCCN(C(C)C(=O)[O-])C1CCN(CC(=O)[O-])C1=O	REAL300010004589	1	41	-2.0	-130.55	328.70	2.64	-127.91
O=C(CN1CCS(=O)(=O)CC1C(=O)[O-])[N-]C1=NC=CS1	REAL300010005020	1	31	-2.0	-106.93	288.67	-1.07	-108.00
O=C(CN1CCS(=O)(=O)CC1C(=O)[O-])[N-]C1=NC2=C(CCCC2)S1	REAL300010005025	1	41	-2.0	-113.32	352.42	1.51	-111.81
CCC1=C(C)SC([N-]C(=O)CN2CCS(=O)(=O)CC2C(=O)[O-])=N1	REAL300010005053	1	40	-2.0	-108.30	349.21	0.54	-107.76
CC(C)(C)C1=NOC([N-]C(=O)CN2CCS(=O)(=O)CC2C(=O)[O-])=C1	REAL300010005156	1	43	-2.0	-108.87	361.81	0.22	-108.65
CC1=NOC([N-]C(=O)CN2CCS(=O)(=O)CC2C(=O)[O-])=C1	REAL300010005419	1	34	-2.0	-106.82	301.20	-1.65	-108.47
O=C([O-])C1CS(=O)(=O)CCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010005537	0	37	-2.0	-109.05	323.38	-0.32	-109.37
CC(=O)C1=CC(Cl)=CC(CN2CCS(=O)(=O)CC2C(=O)[O-])=C1[O-]	REAL300010005696	1	37	-2.0	-106.64	327.60	3.30	-103.34
O=C(CN1CCS(=O)(=O)CC1C(=O)[O-])[N-]C1=NN=CS1	REAL300010005814	0	30	-2.0	-107.23	283.56	-2.25	-109.48
O=C([O-])C1=CC=CC=C1OCCN1CCS(=O)(=O)CC1C(=O)[O-]	REAL300010005895	0	38	-2.0	-140.08	327.46	3.85	-136.23
O=C([O-])CS(=O)(=O)CCN1CCS(=O)(=O)CC1C(=O)[O-]	REAL300010005897	0	33	-2.0	-115.99	299.65	-1.87	-117.86
O=C([O-])C1=CC=C(CN2CCS(=O)(=O)CC2C(=O)[O-])C=C1	REAL300010005899	0	34	-2.0	-100.96	297.92	3.35	-97.61
O=C([O-])C1CS(=O)(=O)CCN1CC(=O)N[N-]C(=O)C1=CC=CS1	REAL300010005977	1	36	-2.0	-108.19	335.32	-1.40	-109.59
O=C(CN1CCS(=O)(=O)CC1C(=O)[O-])[N-]C1=NC2=CC=CC=C2S1	REAL300010006001	1	37	-2.0	-112.99	336.04	1.35	-111.64
O=C([O-])C1=CC=CC(CN2CCS(=O)(=O)CC2C(=O)[O-])=C1	REAL300010006025	0	34	-2.0	-98.29	297.73	3.33	-94.96
O=C([O-])C1CS(=O)(=O)CCN1CC1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300010006117	0	34	-2.0	-97.98	297.26	1.71	-96.27
O=C([O-])CN1CCC(N2CCS(=O)(=O)CC2C(=O)[O-])C1=O	REAL300010006171	0	35	-2.0	-127.48	291.75	0.50	-126.98
O=C([O-])C1CS(=O)(=O)CCN1CCC1(C(=O)[O-])CCC1	REAL300010006347	0	37	-2.0	-132.18	300.91	2.91	-129.27
O=C([O-])C1CS(=O)(=O)CCN1CCC1(C(=O)[O-])CCOC1	REAL300010006365	0	38	-2.0	-107.63	306.48	0.60	-107.03
O=C([O-])C1CS(=O)(=O)CCN1CC12CC(C(=O)[O-])(C1)C2	REAL300010006385	0	35	-2.0	-101.74	295.14	2.96	-98.78
O=C([O-])C1=COC(CN2CCS(=O)(=O)CC2C(=O)[O-])=N1	REAL300010006468	0	30	-2.0	-106.00	275.28	-2.07	-108.07
CC1CC(C(=O)[O-])CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010007444	0	40	-2.0	-103.06	334.39	4.12	-98.94
O=C([O-])[C@@H]1CN(CC(=O)[N-]C2=NN=CS2)C[C@H]1C1=CC=CC=C1	REAL300010009419	0	37	-2.0	-108.97	326.88	3.90	-105.07
O=C([O-])CNC(=O)CN1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300010009523	1	38	-2.0	-98.43	319.09	4.58	-93.85
O=C([O-])CS(=O)(=O)CCN1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300010009526	1	40	-2.0	-106.64	347.81	4.68	-101.96
O=C([O-])C1=COC(CN2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N1	REAL300010010219	1	37	-2.0	-107.27	322.04	4.23	-103.04
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC(C)(C(=O)[O-])CC2)=C1	REAL300010010613	1	46	-2.0	-101.82	357.69	4.13	-97.69
CC1(C(=O)[O-])CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1	REAL300010011154	0	40	-2.0	-96.12	326.92	3.79	-92.33
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCC(C)(C(=O)[O-])CC2)=N1	REAL300010011806	1	46	-2.0	-103.09	380.53	4.86	-98.23
CC1CCC(C(=O)[O-])CN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010012882	0	40	-2.0	-107.70	323.75	3.78	-103.92
CC1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1C(=O)[O-]	REAL300010014444	0	40	-2.0	-102.86	323.26	3.70	-99.16
O=C([O-])CCN(CCS(=O)(=O)CC(=O)[O-])C1CCOCC1	REAL300010016367	1	40	-2.0	-103.27	328.39	1.80	-101.47
CC1CCCN(CC(=O)[N-]C2=NC3=C(CCCC3)S2)C1C(=O)[O-]	REAL300010017069	1	44	-2.0	-120.02	347.53	6.36	-113.66
CCC1=C(C)SC([N-]C(=O)CN2CCCC(C)C2C(=O)[O-])=N1	REAL300010017100	1	43	-2.0	-113.81	344.32	5.39	-108.42
CC1CCCN(CC(=O)[N-]C2=CC(C(C)(C)C)=NO2)C1C(=O)[O-]	REAL300010017219	1	46	-2.0	-114.97	356.92	5.06	-109.91
CC1CCCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1C(=O)[O-]	REAL300010017602	0	40	-2.0	-114.36	324.80	4.59	-109.77
CC1=CC=C(C2=CSC([N-]C(=O)CN3CCCC(C)C3C(=O)[O-])=N2)C=C1	REAL300010018035	1	47	-2.0	-114.57	381.69	7.77	-106.80
CC1CCCN(CC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=CS2)C1C(=O)[O-]	REAL300010018036	1	44	-2.0	-109.57	366.69	7.16	-102.41
CC1CCCN(CC(=O)[N-]C2=NC(C3=CC=C(F)C(F)=C3)=CS2)C1C(=O)[O-]	REAL300010018038	1	44	-2.0	-108.64	371.42	7.07	-101.57
CC1CCCN(CC(=O)N[N-]C(=O)C2=CC=CS2)C1C(=O)[O-]	REAL300010018047	1	39	-2.0	-115.06	325.21	2.45	-112.61
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3CCCC(C)C3C(=O)[O-])S2)=C1	REAL300010018062	1	50	-2.0	-119.22	403.24	8.05	-111.17
CC1CCCN(CC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1C(=O)[O-]	REAL300010018083	1	47	-2.0	-117.67	388.24	7.45	-110.22
CC1CCCN(CC(=O)[N-]C2=NC3=CC=CC=C3S2)C1C(=O)[O-]	REAL300010018086	1	40	-2.0	-121.81	325.89	5.21	-116.60
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCCC(C)C2C(=O)[O-])=N1	REAL300010018128	1	46	-2.0	-120.15	379.76	5.76	-114.39
C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300010018493	1	41	-2.0	-115.51	330.92	4.92	-110.59
CCC1=C(C)SC([N-]C(=O)CN2[C@H](C)CC[C@@H]2C(=O)[O-])=N1	REAL300010018520	1	40	-2.0	-108.78	328.26	3.95	-104.83
C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)[N-]C1=CC(C(C)(C)C)=NO1	REAL300010018635	1	43	-2.0	-111.35	340.31	3.47	-107.88
C[C@@H]1CC[C@H](C(=O)[O-])N1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010018971	0	37	-2.0	-115.99	310.96	3.75	-112.24
CC1=CC=C(C2=CSC([N-]C(=O)CN3[C@H](C)CC[C@@H]3C(=O)[O-])=N2)C=C1	REAL300010019352	1	44	-2.0	-110.68	365.09	6.33	-104.35
C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1	REAL300010019353	1	41	-2.0	-105.79	350.08	5.72	-100.07
C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)[N-]C1=NC(C2=CC=C(F)C(F)=C2)=CS1	REAL300010019355	1	41	-2.0	-106.55	356.38	5.77	-100.78
CCCC1=CC=C(C2=CSC([N-]C(=O)CN3[C@H](C)CC[C@@H]3C(=O)[O-])=N2)C=C1	REAL300010019362	1	50	-2.0	-109.33	409.06	7.89	-101.44
C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)N[N-]C(=O)C1=CC=CS1	REAL300010019365	1	36	-2.0	-109.10	314.88	2.03	-107.07
CC1=CC(C)=C(C2=CSC([N-]C(=O)CN3[C@H](C)CC[C@@H]3C(=O)[O-])=N2)C=C1C	REAL300010019372	1	50	-2.0	-110.42	403.79	7.68	-102.74
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3[C@H](C)CC[C@@H]3C(=O)[O-])S2)=C1	REAL300010019384	1	47	-2.0	-112.36	392.88	7.62	-104.74
CC1=C(C2=CC=C(Cl)C=C2)N=C([N-]C(=O)CN2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010019406	1	44	-2.0	-107.30	379.53	6.73	-100.57
C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300010019407	1	44	-2.0	-110.62	377.89	7.03	-103.59
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)CN2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010019408	1	50	-2.0	-118.01	405.36	7.92	-110.09
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CN2[C@H](C)CC[C@@H]2C(=O)[O-])=N1	REAL300010019409	1	50	-2.0	-114.13	410.45	8.08	-106.05
C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300010019413	1	37	-2.0	-115.56	314.54	4.76	-110.80
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010019420	0	47	-2.0	-102.17	388.03	6.81	-95.36
CCOC(=O)CC1=CSC([N-]C(=O)CN2[C@H](C)CC[C@@H]2C(=O)[O-])=N1	REAL300010019448	1	43	-2.0	-114.04	363.17	4.32	-109.72
O=C([O-])C1CC(=O)N(C2CCN(CC(=O)[N-]C3=NC=CS3)CC2)C1	REAL300010020484	1	42	-2.0	-105.88	349.86	3.39	-102.49
CCC1=C(C)SC([N-]C(=O)CN2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300010020511	1	51	-2.0	-93.92	411.70	5.04	-88.88
CC(C(=O)[N-]C1=NC=CS1)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010020543	1	45	-2.0	-86.67	362.65	3.70	-82.97
CC1=C(C)SC([N-]C(=O)C(C)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300010020544	1	51	-2.0	-86.57	401.26	4.57	-82.00
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300010020594	1	54	-2.0	-97.52	424.30	4.68	-92.84
CC1=NOC([N-]C(=O)CN2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300010020858	1	45	-2.0	-96.26	364.13	2.85	-93.41
O=C([O-])C1CC(=O)N(C2CCN(CC(=O)[N-]C3=NN=CS3)CC2)C1	REAL300010021178	0	41	-2.0	-101.21	345.27	2.24	-98.97
CC1=NOC([N-]C(=O)C(C)N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=C1	REAL300010021222	1	48	-2.0	-88.27	375.19	2.98	-85.29
O=C([O-])CNC(=O)CN1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010021261	0	42	-2.0	-93.79	341.10	3.12	-90.67
O=C([O-])CS(=O)(=O)CCN1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010021264	0	44	-2.0	-105.74	365.61	2.99	-102.75
CN1N=C(CN2CCC(N3CC(C(=O)[O-])CC3=O)CC2)[N-]C1=O	REAL300010021312	0	42	-2.0	-87.79	331.97	2.26	-85.53
O=C([O-])C1CC(=O)N(C2CCN(CC(=O)N[N-]C(=O)C3=CC=CS3)CC2)C1	REAL300010021336	1	47	-2.0	-99.21	398.32	3.14	-96.07
O=C([O-])C1CC(=O)N(C2CCN(CC3=CC([O-])=CC=C3[N+](=O)[O-])CC2)C1	REAL300010021511	0	45	-2.0	-87.15	363.51	6.68	-80.47
O=C([O-])CN1CCC(N2CCC(N3CC(C(=O)[O-])CC3=O)CC2)C1=O	REAL300010021588	0	46	-2.0	-115.72	365.35	5.76	-109.96
O=C([O-])C(C1CC1)N1CCC(N2CC(C(=O)[O-])CC2=O)CC1	REAL300010021606	1	42	-2.0	-112.51	324.79	6.50	-106.01
O=C([O-])C1=COC(CN2CCC(N3CC(C(=O)[O-])CC3=O)CC2)=N1	REAL300010021958	0	41	-2.0	-102.59	340.39	2.59	-100.00
O=C([O-])CN(CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1)C1CCC1	REAL300010022924	0	37	-2.0	-106.12	311.09	3.64	-102.48
O=C([O-])CC1CCCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010025289	0	40	-2.0	-98.03	327.36	4.07	-93.96
O=C([O-])[C@@H]1CN(CC(=O)[N-]C2=NC=CS2)C[C@H]1C(F)F	REAL300010027567	1	31	-2.0	-102.94	279.85	1.89	-101.05
CC(C(=O)[N-]C1=NC=CS1)N1C[C@@H](C(=O)[O-])[C@H](C(F)F)C1	REAL300010027661	1	34	-2.0	-86.40	298.64	2.52	-83.88
CC(C)(C)C1=NOC([N-]C(=O)CN2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1	REAL300010027730	1	43	-2.0	-112.06	357.16	3.43	-108.63
CC1=NOC([N-]C(=O)CN2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1	REAL300010028157	1	34	-2.0	-116.07	298.86	1.77	-114.30
O=C([O-])[C@@H]1CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C[C@H]1C(F)F	REAL300010028292	0	37	-2.0	-98.20	326.43	3.30	-94.90
O=C([O-])[C@@H]1CN(CC(=O)[N-]C2=NN=CS2)C[C@H]1C(F)F	REAL300010028643	0	30	-2.0	-95.42	278.81	1.10	-94.32
CC1=NOC([N-]C(=O)C(C)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1	REAL300010028709	1	37	-2.0	-110.88	318.69	2.35	-108.53
O=C([O-])CS(=O)(=O)CCN1C[C@@H](C(=O)[O-])[C@H](C(F)F)C1	REAL300010028765	0	33	-2.0	-99.31	301.07	1.85	-97.46
CC1=CC=C(C2=CSC([N-]C(=O)CN3C[C@@H](C(=O)[O-])[C@H](C(F)F)C3)=N2)C=C1	REAL300010028847	1	44	-2.0	-109.45	381.93	6.21	-103.24
O=C([O-])[C@@H]1CN(CC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=CS2)C[C@H]1C(F)F	REAL300010028848	1	41	-2.0	-104.74	366.93	5.60	-99.14
O=C([O-])[C@@H]1CN(CC(=O)N[N-]C(=O)C2=CC=CS2)C[C@H]1C(F)F	REAL300010028857	1	36	-2.0	-99.31	328.37	1.90	-97.41
O=C([O-])[C@@H]1CN(CC(=O)[N-]C2=NC3=CC=CC=C3S2)C[C@H]1C(F)F	REAL300010028900	1	37	-2.0	-101.67	329.05	4.64	-97.03
CCOC(=O)CC1=CSC([N-]C(=O)CN2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=N1	REAL300010028962	1	43	-2.0	-117.81	382.32	4.35	-113.46
O=C([O-])[C@@H]1CN(CC2=CC([O-])=CC=C2[N+](=O)[O-])C[C@H]1C(F)F	REAL300010029016	1	34	-2.0	-90.11	295.81	5.50	-84.61
O=C([O-])CN1CCC(N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)C1=O	REAL300010029066	1	35	-2.0	-104.34	301.97	4.63	-99.71
O=C([O-])CN(CCS(=O)(=O)CC(=O)[O-])C1CCOCC1	REAL300010031697	1	37	-2.0	-103.35	305.68	1.23	-102.12
O=C(CN1CCN(C(=O)C(=O)[O-])CC1)[N-]C1=NC2=C(CCCC2)S1	REAL300010032254	1	42	-2.0	-94.74	348.21	3.94	-90.80
CCC1=C(C)SC([N-]C(=O)CN2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300010032283	1	41	-2.0	-89.92	344.55	2.94	-86.98
CC(C(=O)[N-]C1=NC=CS1)N1CCN(C(=O)C(=O)[O-])CC1	REAL300010032345	1	35	-2.0	-93.34	300.82	1.82	-91.52
CC1=C(C)SC([N-]C(=O)C(C)N2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300010032347	1	41	-2.0	-97.46	334.85	2.51	-94.95
CC(C)(C)C1=NOC([N-]C(=O)CN2CCN(C(=O)C(=O)[O-])CC2)=C1	REAL300010032417	1	44	-2.0	-92.15	357.60	2.61	-89.54
O=C([O-])C(=O)N1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1	REAL300010032974	0	38	-2.0	-89.12	326.03	2.31	-86.81
CC(=O)C1=CC(Cl)=CC(CN2CCN(C(=O)C(=O)[O-])CC2)=C1[O-]	REAL300010033177	1	38	-2.0	-99.73	323.96	5.87	-93.86
CC1=NOC([N-]C(=O)C(C)N2CCN(C(=O)C(=O)[O-])CC2)=C1	REAL300010033387	1	38	-2.0	-94.43	313.35	1.24	-93.19
O=C([O-])C(=O)N1CCN(CCOC2=CC=CC=C2C(=O)[O-])CC1	REAL300010033442	0	39	-2.0	-109.93	324.29	6.30	-103.63
O=C([O-])CS(=O)(=O)CCN1CCN(C(=O)C(=O)[O-])CC1	REAL300010033444	0	34	-2.0	-101.39	299.08	0.83	-100.56
CC1=CC=C(C2=CSC([N-]C(=O)CN3CCN(C(=O)C(=O)[O-])CC3)=N2)C=C1	REAL300010033523	1	45	-2.0	-91.12	382.37	5.35	-85.77
O=C([O-])C(=O)N1CCN(CC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=CS2)CC1	REAL300010033524	1	42	-2.0	-94.21	362.39	4.35	-89.86
O=C([O-])C(=O)N1CCN(CC(=O)N[N-]C(=O)C2=CC=CS2)CC1	REAL300010033534	1	37	-2.0	-94.41	331.17	1.06	-93.35
O=C([O-])C(=O)N1CCN(CC(=O)[N-]C2=NC3=CC=CC=C3S2)CC1	REAL300010033582	1	38	-2.0	-95.20	331.84	3.78	-91.42
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCN(C(=O)C(=O)[O-])CC2)=N1	REAL300010033638	1	44	-2.0	-102.03	375.46	2.94	-99.09
O=C([O-])C(=O)N1CCN(CC2=CC([O-])=CC=C2[N+](=O)[O-])CC1	REAL300010033691	0	35	-2.0	-83.88	297.41	4.15	-79.73
O=C([O-])C(=O)N1CCN(CCC2(C(=O)[O-])CCOC2)CC1	REAL300010033890	1	39	-2.0	-100.49	305.43	3.30	-97.19
O=C([O-])C(=O)N1CCN(CC2(O)CCC(C(=O)[O-])CC2)CC1	REAL300010033944	1	42	-2.0	-96.88	318.84	3.57	-93.31
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC(CCC(=O)[O-])CC2)=C1	REAL300010035895	1	49	-2.0	-96.85	385.65	5.32	-91.53
O=C([O-])CCC1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1	REAL300010036452	0	43	-2.0	-92.35	353.61	4.99	-87.36
O=C([O-])CCC1CCN(CCS(=O)(=O)CC(=O)[O-])CC1	REAL300010036923	0	39	-2.0	-102.08	327.81	3.64	-98.44
O=C([O-])CCC1CCN(CC(=O)N[N-]C(=O)C2=CC=CS2)CC1	REAL300010037016	1	42	-2.0	-98.61	359.22	3.74	-94.87
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCC(CCC(=O)[O-])CC2)=N1	REAL300010037115	1	49	-2.0	-98.76	408.52	6.03	-92.73
O=C([O-])CCC1CCN(CC2=CC([O-])=CC=C2[N+](=O)[O-])CC1	REAL300010037170	1	40	-2.0	-88.60	324.25	7.06	-81.54
O=C([O-])[C@@]12COC[C@@H]1CN(CC1=NC3=CC=CC=C3S(=O)(=O)[N-]1)C2	REAL300010038294	0	39	-2.0	-103.23	327.41	1.50	-101.73
O=C([O-])CS(=O)(=O)CCN1C[C@H]2COC[C@@]2(C(=O)[O-])C1	REAL300010038765	1	35	-2.0	-103.05	302.98	0.32	-102.73
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1=NC=CS1	REAL300010039618	0	38	-2.0	-124.86	338.94	0.81	-124.05
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC=C(C2=CC=CC=C2)O1	REAL300010039619	1	44	-2.0	-114.23	377.09	2.53	-111.70
O=C([O-])CC[N@@H+]1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039620	0	34	-2.0	-96.04	286.14	3.84	-92.20
O=C([O-])CC[N@H+]1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039620	1	34	-2.0	-114.60	296.00	3.84	-110.76
CN(C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1=NC=CS1	REAL300010039621	0	41	-2.0	-127.20	355.12	2.36	-124.84
CC1=C(C)OC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039622	0	40	-2.0	-114.83	339.92	0.17	-114.66
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1C=CC=N1	REAL300010039623	1	38	-2.0	-120.82	323.70	2.00	-118.82
CN1C=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010039624	1	38	-2.0	-113.93	323.56	1.90	-112.03
CC1=C(CCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])SC=N1	REAL300010039625	1	40	-2.0	-115.34	349.32	2.40	-112.94
CN1C2=CC=CC=C2N=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039626	1	44	-2.0	-111.73	368.14	4.24	-107.49
CN1C2=CC=CC=C2N=C1CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039627	1	47	-2.0	-125.49	392.63	4.97	-120.52
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1C=NC=N1	REAL300010039628	0	37	-2.0	-120.18	318.46	3.44	-116.74
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1=CC=CN=C1	REAL300010039629	1	40	-2.0	-115.21	337.22	2.76	-112.45
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NCC1=CC=CN=C1	REAL300010039630	1	44	-2.0	-119.11	373.33	0.56	-118.55
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1C=CC=N1	REAL300010039631	1	38	-2.0	-120.82	323.70	2.00	-118.82
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC2=CC=CC=C2S1	REAL300010039632	1	40	-2.0	-114.15	357.13	3.78	-110.37
CCC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CS1	REAL300010039633	1	40	-2.0	-113.69	352.70	2.84	-110.85
CC(C)C1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CS1	REAL300010039634	1	43	-2.0	-113.80	372.42	3.40	-110.40
CCOC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])N=C1	REAL300010039635	0	44	-2.0	-112.86	371.08	2.78	-110.08
CC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NN1C	REAL300010039636	1	41	-2.0	-123.52	346.08	2.61	-120.91
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NCC1=CC=CC=N1	REAL300010039637	1	44	-2.0	-118.18	377.73	1.29	-116.89
CC1=CN2C=C(CN3CCCC([N-]C(=O)C(F)(F)F)C3C(=O)[O-])N=C2C=C1	REAL300010039638	1	44	-2.0	-119.30	373.25	5.49	-113.81
CC1=CC=CN2C=C(CN3CCCC([N-]C(=O)C(F)(F)F)C3C(=O)[O-])N=C12	REAL300010039639	1	44	-2.0	-131.18	372.11	5.51	-125.67
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CSC=N1	REAL300010039640	0	34	-2.0	-112.98	309.57	1.39	-111.59
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC=N1	REAL300010039641	1	37	-2.0	-112.64	318.52	2.97	-109.67
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CN=C1	REAL300010039642	1	37	-2.0	-110.92	308.84	2.00	-108.92
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC=CN1C(F)F	REAL300010039643	0	38	-2.0	-117.43	333.98	2.42	-115.01
CCCCC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CS1	REAL300010039644	0	46	-2.0	-113.56	395.70	4.40	-109.16
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC2=CC=CC=C2O1	REAL300010039645	1	41	-2.0	-113.10	352.44	5.11	-107.99
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(N2C=CN=C2)C=C1	REAL300010039646	1	45	-2.0	-113.27	378.47	6.81	-106.46
CC1=NN(C)C(NC(=O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039647	0	45	-2.0	-119.25	372.60	1.60	-117.65
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC2=CC=CN=C21	REAL300010039648	1	43	-2.0	-128.63	362.93	4.74	-123.89
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC(C2=CC=CC=N2)=NO1	REAL300010039649	0	42	-2.0	-120.40	370.92	1.32	-119.08
CCCC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CS1	REAL300010039650	0	43	-2.0	-113.52	374.20	3.62	-109.90
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC=N1	REAL300010039651	1	37	-2.0	-112.64	318.52	2.97	-109.67
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC2=CC=CC=C2C=C1	REAL300010039652	1	43	-2.0	-127.52	364.50	4.75	-122.77
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(F)C2=CC=CN=C12	REAL300010039653	0	43	-2.0	-121.41	368.54	4.78	-116.63
CC1=CC=CC2=NC(CN3CCCC([N-]C(=O)C(F)(F)F)C3C(=O)[O-])=CN21	REAL300010039654	1	44	-2.0	-120.47	372.78	5.37	-115.10
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(N2C=CN=C2)N=C1	REAL300010039655	1	44	-2.0	-109.18	367.02	5.44	-103.74
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1CCOCC1	REAL300010039656	1	44	-2.0	-113.03	349.65	-0.52	-113.55
CN1C=NC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039657	1	38	-2.0	-106.10	321.12	3.45	-102.65
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1=CC=CN=C1	REAL300010039658	0	41	-2.0	-115.25	346.22	0.85	-114.40
CC(C)C1=CN=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010039659	0	43	-2.0	-112.76	360.86	0.96	-111.80
CN1N=CN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039660	0	37	-2.0	-101.83	317.13	2.69	-99.14
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=NC(Cl)=C1	REAL300010039661	0	37	-2.0	-112.70	335.76	2.64	-110.06
CC1=CN=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010039662	0	37	-2.0	-113.39	319.34	-0.42	-113.81
CC1=NC(C)=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])S1	REAL300010039663	1	40	-2.0	-112.22	346.57	2.43	-109.79
CCC1=CN=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010039664	0	40	-2.0	-113.11	340.82	0.37	-112.74
CN1C=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010039665	1	38	-2.0	-113.93	323.56	1.90	-112.03
CN(C)C1=CC=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039666	1	46	-2.0	-116.51	376.55	4.30	-112.21
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1C=C([N+](=O)[O-])C=N1	REAL300010039668	0	40	-2.0	-118.31	356.55	2.56	-115.75
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=NC=C1Cl	REAL300010039669	0	37	-2.0	-109.44	327.18	2.44	-107.00
CN(CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1=CC=CC=C1	REAL300010039670	1	46	-2.0	-114.09	372.82	4.44	-109.65
COCC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CS1	REAL300010039671	0	41	-2.0	-114.04	365.17	1.12	-112.92
COC(C)C1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CS1	REAL300010039672	0	44	-2.0	-113.10	384.89	1.84	-111.26
CC(=O)NC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CS1	REAL300010039673	0	41	-2.0	-117.68	365.90	1.35	-116.33
CN1C(Cl)=CN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039674	0	38	-2.0	-104.22	339.10	2.81	-101.41
C=CCNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039675	1	39	-2.0	-114.14	336.81	0.75	-113.39
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1=CC=C([N+](=O)[O-])C=C1	REAL300010039676	0	43	-2.0	-113.39	370.60	5.22	-108.17
CC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NO1	REAL300010039677	0	37	-2.0	-122.47	322.15	2.27	-120.20
COC1=CC=C(C)C=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039678	1	45	-2.0	-117.47	371.56	4.71	-112.76
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCOC1=CC=CC=C1	REAL300010039679	1	45	-2.0	-112.30	374.90	4.86	-107.44
CC(C)(C)C1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039680	1	50	-2.0	-115.86	399.44	6.11	-109.75
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCOC1=CC=C(F)C=C1	REAL300010039681	1	45	-2.0	-109.84	381.81	4.95	-104.89
CCCCN1N=NN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039682	1	45	-2.0	-114.40	373.82	2.19	-112.21
CC1=CSC(=O)N1CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039683	1	41	-2.0	-116.57	357.80	2.37	-114.20
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NN=NN1C1=CC=CC=C1	REAL300010039684	1	43	-2.0	-102.47	363.31	3.98	-98.49
CCCN(CCC)C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039685	1	50	-2.0	-119.27	398.52	4.23	-115.04
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)N1CCNC(=O)C1	REAL300010039686	1	43	-2.0	-115.79	358.56	-0.66	-116.45
CC(C)N(C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C(C)C	REAL300010039687	1	50	-2.0	-121.73	381.14	3.41	-118.32
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NCC1=CC=CS1	REAL300010039688	1	42	-2.0	-120.49	368.73	1.44	-119.05
CC1=NOC(C)=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039689	0	40	-2.0	-110.29	337.61	2.45	-107.84
CC(C)CC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039690	0	45	-2.0	-110.12	378.63	1.62	-108.50
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(F)=C1F	REAL300010039691	0	38	-2.0	-120.29	333.46	4.07	-116.22
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(C(F)(F)F)C=C1	REAL300010039692	0	41	-2.0	-110.27	361.97	4.79	-105.48
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(C(F)(F)F)C=C1	REAL300010039693	0	41	-2.0	-110.27	361.97	4.79	-105.48
CCCCC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039694	0	45	-2.0	-109.65	381.85	1.94	-107.71
COCCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039695	1	41	-2.0	-112.00	340.19	2.10	-109.90
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C2CCCC2=C1	REAL300010039696	1	45	-2.0	-120.91	359.89	5.78	-115.13
COC1=COC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CC1=O	REAL300010039698	1	41	-2.0	-118.29	353.76	2.28	-116.01
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(Cl)=N1	REAL300010039699	0	37	-2.0	-107.82	327.18	2.53	-105.29
CCC1=NOC(C)=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039702	0	43	-2.0	-109.18	356.46	3.36	-105.82
COCCCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039703	1	44	-2.0	-111.81	361.69	2.88	-108.93
CCC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039704	1	44	-2.0	-114.80	365.41	5.87	-108.93
COC1=CC=CC(CCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039705	1	48	-2.0	-122.95	393.38	4.63	-118.32
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCOCC(F)(F)F	REAL300010039706	0	41	-2.0	-110.28	360.11	2.75	-107.53
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOCC1CC1	REAL300010039707	1	42	-2.0	-117.21	350.46	3.14	-114.07
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOCC1CCCO1	REAL300010039708	1	46	-2.0	-123.83	375.86	2.00	-121.83
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOC1CCCCCC1	REAL300010039709	1	51	-2.0	-122.63	385.21	4.50	-118.13
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC=C1F	REAL300010039710	0	38	-2.0	-115.41	326.06	4.04	-111.37
CCOCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039711	1	38	-2.0	-118.84	312.13	1.37	-117.47
CCCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039712	1	40	-2.0	-111.12	328.01	3.81	-107.31
CCCCCCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039715	1	49	-2.0	-111.19	392.51	6.15	-105.04
CCCCCCCCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039716	1	55	-2.0	-111.27	435.51	7.72	-103.55
CCCCCCCCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039717	1	55	-2.0	-111.27	435.51	7.72	-103.55
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(Cl)C=C1	REAL300010039718	0	38	-2.0	-111.35	339.97	4.31	-107.04
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C([N+](=O)[O-])C=C1	REAL300010039719	0	40	-2.0	-107.07	350.74	5.10	-101.97
CCCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039720	1	40	-2.0	-111.12	328.01	3.81	-107.31
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C([N+](=O)[O-])C=C1	REAL300010039722	0	40	-2.0	-107.07	350.74	5.10	-101.97
CC1=CC(NC(=O)CCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NO1	REAL300010039723	0	44	-2.0	-116.41	375.28	2.72	-113.69
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC(=O)NC1=CC=CC=C1	REAL300010039724	1	45	-2.0	-120.91	378.44	3.51	-117.40
CCCCNC(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039725	1	47	-2.0	-117.50	385.06	1.42	-116.08
CCOC(C)C1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039726	0	46	-2.0	-110.30	393.14	0.27	-110.03
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC(C2=CC=CO2)=NO1	REAL300010039727	0	40	-2.0	-115.46	357.05	1.20	-114.26
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NN=NN1C1CC1	REAL300010039728	0	40	-2.0	-99.77	343.87	1.64	-98.13
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC(C2CC2)=NO1	REAL300010039729	0	40	-2.0	-106.70	344.93	1.11	-105.59
CNC(=O)NC(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039730	1	42	-2.0	-129.34	358.69	-0.01	-129.35
CC1=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300010039732	0	43	-2.0	-113.61	363.46	5.10	-108.51
CCSCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039733	1	38	-2.0	-113.38	327.17	2.87	-110.51
CC(C)OC1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039735	1	48	-2.0	-115.98	393.19	4.82	-111.16
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NN(C2=CC=CC=C2)N=C1	REAL300010039736	0	44	-2.0	-123.73	379.67	3.87	-119.86
CN1C=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CC1=O	REAL300010039737	1	41	-2.0	-130.04	347.97	2.73	-127.31
CN(CC(F)(F)F)C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039738	0	41	-2.0	-112.51	357.71	2.62	-109.89
CC(C)CN(C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CC1	REAL300010039739	1	51	-2.0	-114.33	397.93	4.42	-109.91
CC(C)CC(C)N(C)C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039740	1	53	-2.0	-119.12	417.48	5.17	-113.95
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC(=O)NC1CC1	REAL300010039741	1	43	-2.0	-119.35	368.53	1.10	-118.25
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=COC(C2=CC=CC=C2)=N1	REAL300010039742	1	44	-2.0	-127.09	381.82	2.59	-124.50
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(Cl)S1	REAL300010039744	0	35	-2.0	-108.45	331.53	3.86	-104.59
COC1=CC=C(F)C=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039745	0	42	-2.0	-112.39	356.57	4.12	-108.27
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(F)(F)C(F)F	REAL300010039746	0	34	-2.0	-111.30	308.04	2.79	-108.51
CS(=O)(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039747	0	37	-2.0	-123.88	327.15	-0.97	-124.85
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1CCOCC1	REAL300010039749	1	46	-2.0	-115.73	370.66	0.01	-115.72
CC(C)OCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039750	1	44	-2.0	-110.94	360.82	3.03	-107.91
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=NO1	REAL300010039751	0	34	-2.0	-115.29	299.73	1.73	-113.56
COCCC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039752	0	43	-2.0	-109.27	372.52	-0.53	-109.80
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(=O)N2N=CC=C2N1	REAL300010039753	0	41	-2.0	-105.27	350.15	1.65	-103.62
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1C=CC([N+](=O)[O-])=N1	REAL300010039754	0	40	-2.0	-126.92	354.18	3.70	-123.22
CS(=O)(=O)CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039755	1	40	-2.0	-120.68	348.65	-0.20	-120.88
CS(=O)(=O)NCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039756	0	39	-2.0	-111.44	342.06	-2.37	-113.81
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NOC2=C1CCCC2	REAL300010039757	0	44	-2.0	-114.79	363.50	4.23	-110.56
CS(=O)(=O)NCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039758	0	39	-2.0	-111.44	342.06	-2.37	-113.81
CCS(=O)(=O)NCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039759	1	42	-2.0	-110.66	363.52	-1.47	-112.13
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NCC1CCC1	REAL300010039760	1	45	-2.0	-120.19	366.83	1.39	-118.80
CNC(=O)C1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039761	1	45	-2.0	-118.92	379.71	2.07	-116.85
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(C2=CC=CC=C2)=NO1	REAL300010039762	1	44	-2.0	-108.27	379.67	5.70	-102.57
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC2=CC=CC=C2NC1=O	REAL300010039765	1	44	-2.0	-119.88	371.16	3.18	-116.70
C=CCNC(=O)NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039769	1	43	-2.0	-121.02	372.37	0.92	-120.10
CCNC(=O)NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039770	1	42	-2.0	-121.43	359.56	0.38	-121.05
COC1=CC=C(Cl)C=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039771	0	42	-2.0	-112.60	366.89	4.57	-108.03
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1=CC=CC(F)=C1	REAL300010039772	0	42	-2.0	-114.08	357.74	2.67	-111.41
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039773	1	41	-2.0	-116.28	344.64	4.47	-111.81
CCS(=O)(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039774	1	40	-2.0	-123.35	348.62	-0.10	-123.45
CNC(=O)C1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039775	1	45	-2.0	-120.64	380.38	2.25	-118.39
CC1CCC(NC(=O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CC1	REAL300010039777	1	51	-2.0	-113.71	401.52	3.83	-109.88
CCNC(=O)NC(=O)C(C)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039778	1	45	-2.0	-126.56	371.16	-0.19	-126.75
CC(C)CNC(=O)NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039779	1	48	-2.0	-120.88	399.94	1.90	-118.98
CCCNC(=O)NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039780	1	45	-2.0	-121.14	381.06	1.14	-120.00
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NOC(C2CC2)=N1	REAL300010039781	0	40	-2.0	-115.08	347.34	1.53	-113.55
NC(=O)NC(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039782	1	39	-2.0	-128.73	336.75	-1.42	-130.15
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC(=O)C2=CC=CC=C2N1	REAL300010039784	1	43	-2.0	-124.52	369.84	2.75	-121.77
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOC1=CC=CC=C1F	REAL300010039785	0	42	-2.0	-130.19	349.63	4.00	-126.19
CC(C)NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039786	1	41	-2.0	-114.97	344.63	1.01	-113.96
CCC(C)NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039787	1	44	-2.0	-115.62	365.26	1.97	-113.65
CCCCNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039788	1	44	-2.0	-114.08	367.00	1.73	-112.35
C=CCN(CC=C)C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039789	1	46	-2.0	-120.34	382.33	3.86	-116.48
CC(C)CNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039790	1	44	-2.0	-114.07	364.38	1.70	-112.37
CCCNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039791	1	41	-2.0	-114.19	345.51	0.96	-113.23
CC1CCCCN1C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039792	1	48	-2.0	-120.84	370.75	3.05	-117.79
CC1CCCCC1NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039793	1	51	-2.0	-122.56	400.26	2.89	-119.67
CCCN1N=NN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039794	1	42	-2.0	-100.35	355.28	1.42	-98.93
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NOC(C2=CC=CO2)=C1	REAL300010039795	0	41	-2.0	-121.22	362.97	3.35	-117.87
CC1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039796	1	41	-2.0	-117.03	335.71	4.54	-112.49
CC1=NOC(NC(=O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039797	0	41	-2.0	-124.48	351.47	0.66	-123.82
CC1=NOC([N-]C(=O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039797	1	40	-3.0	-190.77	352.44	-0.16	-190.93
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1=NOC=C1	REAL300010039798	0	38	-2.0	-117.51	326.81	0.58	-116.93
CC1CN(C(=O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CCO1	REAL300010039799	1	46	-2.0	-120.43	369.11	0.77	-119.66
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC(=O)NC1=CC=CC=C1	REAL300010039800	1	45	-2.0	-120.91	378.44	3.51	-117.40
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(C2=CC=CC=C2)=NO1	REAL300010039801	1	44	-2.0	-108.27	379.67	5.70	-102.57
CN1C(=O)C=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])N(C)C1=O	REAL300010039802	1	44	-2.0	-99.36	364.44	2.71	-96.65
COC1=CC=C(Cl)C=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039803	0	42	-2.0	-112.60	366.89	4.57	-108.03
CCCCNC(=O)NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039804	1	48	-2.0	-120.80	402.56	1.92	-118.88
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=C(Cl)SN=N1	REAL300010039805	0	33	-2.0	-115.95	316.09	0.99	-114.96
NC(=O)C1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039806	1	42	-2.0	-111.84	357.05	1.21	-110.63
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NOC=C1	REAL300010039807	0	34	-2.0	-122.50	300.20	1.45	-121.05
CS(=O)(=O)NCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039808	1	42	-2.0	-120.44	363.56	-1.59	-122.03
CC(C)N1C=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039809	1	44	-2.0	-117.32	368.33	3.36	-113.96
CCCCCCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039810	1	49	-2.0	-111.19	392.51	6.15	-105.04
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(Cl)=C1	REAL300010039811	0	38	-2.0	-111.81	340.64	4.49	-107.32
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC=C1Cl	REAL300010039812	0	38	-2.0	-116.23	335.26	4.40	-111.83
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(Cl)C=C1Cl	REAL300010039813	0	38	-2.0	-111.59	351.50	4.81	-106.78
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(Cl)C(Cl)=C1	REAL300010039814	0	38	-2.0	-105.53	354.43	5.40	-100.13
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(F)C=C1	REAL300010039815	0	38	-2.0	-111.03	329.65	3.86	-107.17
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=C(F)C=CC=C1Cl	REAL300010039816	0	38	-2.0	-117.30	337.78	4.32	-112.98
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=C(Cl)C=CC=C1Cl	REAL300010039817	0	38	-2.0	-112.74	342.03	4.87	-107.87
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC([N+](=O)[O-])=C1	REAL300010039818	0	40	-2.0	-108.87	352.12	4.64	-104.23
CN(C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1=CC=CC=C1	REAL300010039819	1	45	-2.0	-124.50	372.49	4.05	-120.45
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)N1CCOCC1	REAL300010039820	1	43	-2.0	-114.76	352.86	0.89	-113.87
CC1CC(C)CN(C(=O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1	REAL300010039821	1	51	-2.0	-118.58	398.22	4.68	-113.90
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)N1CCCCCC1	REAL300010039822	1	48	-2.0	-116.04	374.83	4.20	-111.84
CCCCCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039823	1	46	-2.0	-111.21	371.01	5.37	-105.84
CCC1CCCCN1C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039824	1	51	-2.0	-121.53	388.22	3.70	-117.83
CC1=CC=CC(NC(=O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039825	1	45	-2.0	-117.28	372.73	3.28	-114.00
CC1=CC=CC=C1NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039826	1	45	-2.0	-119.72	368.13	3.21	-116.51
CC1=CC=C(NC(=O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039827	1	45	-2.0	-120.41	374.14	2.91	-117.50
CC1=CC(C)=CC(OCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039828	1	48	-2.0	-124.42	388.21	5.49	-118.93
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(F)=C1	REAL300010039829	0	38	-2.0	-111.51	330.32	4.05	-107.46
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(Cl)C=C1Cl	REAL300010039830	0	38	-2.0	-111.59	351.50	4.81	-106.78
CC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C(C)S1	REAL300010039831	1	41	-2.0	-110.41	352.17	4.76	-105.65
CC(C)CCC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039832	0	48	-2.0	-109.57	399.42	2.46	-107.11
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1=C(F)C=CC=C1Cl	REAL300010039834	0	41	-2.0	-114.76	364.47	5.72	-109.04
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NN(C2=CC=CC=C2)C=C1	REAL300010039835	1	45	-2.0	-128.32	382.61	5.55	-122.77
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(N2C=CC=N2)C=C1	REAL300010039836	1	45	-2.0	-113.02	380.87	5.63	-107.39
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(OC(F)F)=C1	REAL300010039838	0	42	-2.0	-115.46	363.17	3.55	-111.91
CS(=O)(=O)CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039840	1	40	-2.0	-120.68	348.65	-0.20	-120.88
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CN=C(Cl)S1	REAL300010039841	0	34	-2.0	-105.52	322.46	1.77	-103.75
CC(C)CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039842	1	50	-2.0	-114.86	403.66	7.11	-107.75
CC(=O)NC1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039843	1	45	-2.0	-119.68	380.00	2.88	-116.80
CN(C)S(=O)(=O)CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039844	1	45	-2.0	-116.69	383.62	0.29	-116.40
COCCOCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039845	1	42	-2.0	-122.49	345.64	0.61	-121.88
CC(C)C1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039846	0	42	-2.0	-110.44	359.67	0.84	-109.60
CCC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039847	0	39	-2.0	-109.82	338.85	0.38	-109.44
CCCC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039848	0	42	-2.0	-109.67	360.35	1.16	-108.51
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC(C1CC1)C1CC1	REAL300010039849	1	49	-2.0	-121.76	393.26	3.63	-118.13
CC1=CC=C(C)C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039850	1	44	-2.0	-114.51	359.71	5.06	-109.45
COC1=CC=C(CCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039851	1	45	-2.0	-115.74	376.05	4.24	-111.50
CCC1=CC=CC(OCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039852	1	48	-2.0	-124.77	388.29	5.60	-119.17
CC(C)OCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039853	1	41	-2.0	-116.21	339.07	2.32	-113.89
CC1=CC(C)=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039854	1	44	-2.0	-118.15	366.72	5.43	-112.72
CC1=CC=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039856	1	41	-2.0	-113.77	338.27	4.48	-109.29
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1CCCCCC1	REAL300010039857	1	51	-2.0	-120.44	390.53	2.56	-117.88
CN(C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CCCCC1	REAL300010039858	1	51	-2.0	-122.88	392.40	3.92	-118.96
CC1CCN(C(=O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CC1	REAL300010039859	1	48	-2.0	-115.15	381.99	3.87	-111.28
CC1CN(C(=O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CC(C)O1	REAL300010039860	1	49	-2.0	-119.76	389.73	1.51	-118.25
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)N1CCCCC1	REAL300010039861	1	45	-2.0	-116.99	361.17	3.26	-113.73
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(C(F)(F)F)=C1	REAL300010039862	0	41	-2.0	-110.72	362.96	4.99	-105.73
CC1CCCC(C)N1C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039863	1	51	-2.0	-114.43	383.26	3.63	-110.80
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NCC1CC1	REAL300010039864	1	42	-2.0	-112.95	354.39	1.69	-111.26
CCC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NO1	REAL300010039865	0	39	-2.0	-116.02	338.67	0.42	-115.60
CC(C)(C)C1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NO1	REAL300010039866	0	45	-2.0	-117.91	379.06	1.63	-116.28
CCCC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NO1	REAL300010039867	0	42	-2.0	-116.96	360.18	1.30	-115.66
CC(C)(C)C1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039868	0	45	-2.0	-105.80	374.90	1.72	-104.08
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1=CC=C2OCCC2=C1	REAL300010039869	1	46	-2.0	-119.43	378.28	4.37	-115.06
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C([N+](=O)[O-])C=C1F	REAL300010039870	0	40	-2.0	-114.72	356.54	4.73	-109.99
CCOCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039871	1	41	-2.0	-110.73	340.54	2.29	-108.44
C=CCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039873	1	38	-2.0	-111.05	319.33	3.59	-107.46
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(F)=CC=C1F	REAL300010039874	0	38	-2.0	-112.29	331.24	4.47	-107.82
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCSC1=CC=CC=C1	REAL300010039875	1	42	-2.0	-112.53	364.23	5.74	-106.79
CCOCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039877	1	38	-2.0	-118.84	312.13	1.37	-117.47
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCCCCO	REAL300010039878	1	44	-2.0	-113.55	360.93	1.26	-112.29
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(Cl)=CC=C1Cl	REAL300010039879	0	38	-2.0	-108.21	350.72	5.31	-102.90
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC=C1OC(F)F	REAL300010039880	0	42	-2.0	-115.99	359.80	3.60	-112.39
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC2=CC=CC=C2C=C1	REAL300010039881	1	44	-2.0	-122.81	359.75	6.10	-116.71
CCCCOCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039882	1	44	-2.0	-120.59	355.13	2.95	-117.64
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010039883	0	40	-2.0	-131.21	349.42	5.34	-125.87
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC([N+](=O)[O-])=C1	REAL300010039884	0	40	-2.0	-108.87	352.12	4.64	-104.23
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(F)C=C1F	REAL300010039885	0	38	-2.0	-117.12	334.72	4.13	-112.99
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCC1=CC=C(Cl)C=C1	REAL300010039886	1	44	-2.0	-110.68	383.66	6.60	-104.08
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(F)C(F)=C1	REAL300010039887	0	38	-2.0	-104.47	335.23	4.55	-99.92
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(OC(F)F)=C1	REAL300010039888	0	42	-2.0	-115.46	363.17	3.55	-111.91
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC(=O)N1CCOCC1	REAL300010039890	1	46	-2.0	-125.65	373.92	0.75	-124.90
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC(=O)NC1CC1	REAL300010039891	1	42	-2.0	-116.45	350.08	0.89	-115.56
COC1=CC=CC=C1OCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039892	1	46	-2.0	-126.13	372.12	3.91	-122.22
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOC1=CC=CC(F)=C1	REAL300010039893	0	42	-2.0	-124.32	351.81	4.23	-120.09
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1CCCC1=O	REAL300010039894	1	42	-2.0	-114.26	349.57	2.58	-111.68
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1C(=O)CNC1=O	REAL300010039895	1	40	-2.0	-129.74	342.40	-1.32	-131.06
CCCCCCNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039896	1	50	-2.0	-113.96	410.00	3.29	-110.67
CCCCCC(C)NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039897	1	53	-2.0	-115.15	429.76	4.31	-110.84
CC1=CC(NC(=O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NO1	REAL300010039898	0	41	-2.0	-117.46	348.75	1.41	-116.05
CC(C)(C)NC(=O)NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039899	0	48	-2.0	-121.98	393.38	1.42	-120.56
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(=O)N2C=CC=CC2=N1	REAL300010039900	1	43	-2.0	-128.11	367.07	4.79	-123.32
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOC1=CC=CC=C1Cl	REAL300010039901	0	42	-2.0	-120.71	354.28	4.34	-116.37
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOC1=CC=C(Cl)C=C1	REAL300010039902	1	42	-2.0	-117.76	362.13	4.68	-113.08
CC1=CC=C(OCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039903	1	45	-2.0	-122.93	366.80	4.84	-118.09
CC1=CC=CC(OCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039904	1	45	-2.0	-126.77	367.90	4.48	-122.29
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOC1=CC=CC(Cl)=C1	REAL300010039905	0	42	-2.0	-122.65	362.13	4.68	-117.97
COC1=CC=C(OCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039906	1	46	-2.0	-122.00	374.89	3.44	-118.56
CC1=CC=C(C)C(OCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039907	1	48	-2.0	-119.11	377.65	5.13	-113.98
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC=C1[N+](=O)[O-]	REAL300010039908	0	40	-2.0	-114.66	336.49	4.01	-110.65
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOC1=CC=CC=C1	REAL300010039909	1	42	-2.0	-110.30	351.17	4.38	-105.92
CC(C)(C)C1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039910	1	50	-2.0	-115.86	399.44	6.11	-109.75
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=C(Cl)C=CC=C1Cl	REAL300010039911	0	38	-2.0	-112.74	342.03	4.87	-107.87
CSCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039912	1	38	-2.0	-110.44	329.75	3.49	-106.95
CC(C)S(=O)(=O)CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039914	1	46	-2.0	-119.05	387.35	1.30	-117.75
CC(C)S(=O)(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039916	1	43	-2.0	-122.82	365.85	0.53	-122.29
CS(=O)(=O)CCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039918	1	43	-2.0	-123.53	370.15	0.58	-122.95
CCOCCNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039919	1	45	-2.0	-117.51	379.46	0.25	-117.26
CC(C)N1CCCC(N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1=O	REAL300010039920	1	48	-2.0	-124.45	372.45	3.38	-121.07
CC(CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])CS(C)(=O)=O	REAL300010039921	1	43	-2.0	-119.49	363.41	0.91	-118.58
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1C(=O)CCC1=O	REAL300010039922	1	41	-2.0	-126.32	350.69	1.32	-125.00
CC1(C)NC(=O)N(CCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1=O	REAL300010039923	1	46	-2.0	-123.71	387.28	0.17	-123.54
NC(=O)C1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039924	1	42	-2.0	-120.37	358.45	0.75	-119.62
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(F)=CC=C1[N+](=O)[O-]	REAL300010039926	0	40	-2.0	-116.16	349.08	5.55	-110.61
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1=C(F)C=CC=C1Cl	REAL300010039928	0	41	-2.0	-114.76	364.47	5.72	-109.04
CS(=O)(=O)CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039929	1	40	-2.0	-120.68	348.65	-0.20	-120.88
COC(C)C1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039930	0	43	-2.0	-110.21	371.28	-0.69	-110.90
CNC(=O)CC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039932	0	43	-2.0	-115.00	372.90	-1.94	-116.94
CCC1=CC(=O)NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039933	1	43	-2.0	-112.99	359.66	2.20	-110.79
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC=C1C(F)(F)F	REAL300010039934	0	41	-2.0	-119.44	351.87	5.84	-113.60
CSC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039935	1	42	-2.0	-114.62	363.45	4.81	-109.81
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC=CCl	REAL300010039936	0	32	-2.0	-107.38	295.25	2.74	-104.64
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(F)C=C1Cl	REAL300010039937	0	38	-2.0	-111.37	341.17	4.37	-107.00
CC(C)C(C)NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039938	1	47	-2.0	-115.70	381.84	2.51	-113.19
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NCC(F)(F)F	REAL300010039939	0	38	-2.0	-110.08	343.33	0.65	-109.43
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(F)C=C1	REAL300010039940	0	38	-2.0	-111.03	329.65	3.86	-107.17
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC=C1F	REAL300010039941	0	38	-2.0	-115.41	326.06	4.04	-111.37
CNC(=O)NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039942	1	39	-2.0	-121.85	338.08	-0.46	-122.31
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NOC(C2=CC=CC=C2)=N1	REAL300010039943	0	43	-2.0	-118.92	376.67	2.86	-116.06
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CN(C2=CC=CC=C2)N=C1	REAL300010039944	1	45	-2.0	-117.46	383.31	5.15	-112.31
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1=CC=C(O)C=C1	REAL300010039945	1	43	-2.0	-120.86	363.78	-0.63	-121.49
CC(C)(C)CCNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039946	1	50	-2.0	-114.53	400.73	2.61	-111.92
CC(NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C(=O)N(C)C	REAL300010039947	1	48	-2.0	-120.24	393.91	0.33	-119.91
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC(C2=CC=CC=C2)=NO1	REAL300010039948	0	43	-2.0	-114.19	376.68	2.84	-111.35
CC1=CC=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039949	1	41	-2.0	-113.77	338.27	4.48	-109.29
CC1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039950	1	41	-2.0	-117.03	335.71	4.54	-112.49
CC1=CC(C)=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039951	1	44	-2.0	-118.15	366.72	5.43	-112.72
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCOC1=CC=C(F)C=C1	REAL300010039952	1	45	-2.0	-109.84	381.81	4.95	-104.89
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)[N-]C1=NN=CS1	REAL300010039953	0	36	-3.0	-201.96	330.60	-1.48	-203.44
O=C([O-])C1C(NC(=O)C(F)(F)F)CCCN1CC(=O)[N-]C1=NN=CS1	REAL300010039953	1	37	-2.0	-106.38	336.45	0.14	-106.24
CC1=CC=CC=C1OCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039954	1	48	-2.0	-117.92	392.43	4.89	-113.03
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOCC(F)(F)F	REAL300010039955	0	38	-2.0	-121.24	331.60	1.83	-119.41
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC(=O)NC1CCCC1	REAL300010039956	1	48	-2.0	-118.25	386.08	2.05	-116.20
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(OC(F)F)C=C1	REAL300010039957	1	42	-2.0	-117.34	361.77	4.01	-113.33
CC(C)CCOCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039958	1	47	-2.0	-121.18	372.70	3.46	-117.72
CN(C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CC1	REAL300010039959	1	42	-2.0	-122.57	343.32	1.83	-120.74
CCCCOCCNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039960	1	51	-2.0	-117.55	422.46	1.83	-115.72
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCOCC(F)(F)F	REAL300010039961	0	41	-2.0	-110.28	360.11	2.75	-107.53
CCCC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039962	1	47	-2.0	-114.70	386.91	6.65	-108.05
CCCS(=O)(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039963	1	43	-2.0	-122.98	370.12	0.70	-122.28
CC(C)C1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NO1	REAL300010039964	0	42	-2.0	-117.43	359.50	1.13	-116.30
CCCCC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NO1	REAL300010039965	0	45	-2.0	-115.59	381.66	1.97	-113.62
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC=C1OC(F)F	REAL300010039966	0	42	-2.0	-115.99	359.80	3.60	-112.39
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(Cl)N=C1	REAL300010039967	0	37	-2.0	-114.79	325.65	2.42	-112.37
CC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010039968	0	36	-2.0	-109.57	317.36	-0.21	-109.78
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)N1CCC2=CC=CC=C21	REAL300010039969	1	46	-2.0	-124.85	372.95	4.09	-120.76
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1CC1	REAL300010039970	1	39	-2.0	-114.42	334.13	1.06	-113.36
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1=CC=CC=C1	REAL300010039971	1	42	-2.0	-116.92	357.73	3.08	-113.84
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NCC1=CC=CC=C1	REAL300010039972	1	45	-2.0	-115.16	383.91	3.21	-111.95
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NCC1CCCCC1	REAL300010039973	1	51	-2.0	-113.97	406.01	3.61	-110.36
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1CCCC1	REAL300010039974	1	45	-2.0	-119.63	360.52	1.63	-118.00
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC2=C1OCCO2	REAL300010039975	1	44	-2.0	-119.99	364.98	3.17	-116.82
O=C([O-])CCCCN1CCCC(NC(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039976	0	40	-2.0	-102.10	336.62	5.20	-96.90
O=C([O-])CCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039976	1	39	-3.0	-179.33	335.65	3.74	-175.59
O=C([O-])CCCN1CCCC(NC(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039977	0	37	-2.0	-105.49	315.12	4.42	-101.07
O=C([O-])CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039977	1	36	-3.0	-180.83	314.15	2.96	-177.87
O=C([O-])CNC(=O)CN1CCCC(NC(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039978	0	38	-2.0	-97.20	337.43	1.42	-95.78
O=C([O-])CNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039978	1	37	-3.0	-175.80	331.01	0.22	-175.58
O=C([O-])CCCN1CCCC(NC(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039979	0	37	-2.0	-105.49	315.12	4.42	-101.07
O=C([O-])CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039979	1	36	-3.0	-180.83	314.15	2.96	-177.87
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC(=O)NC1=CC=CN=C1	REAL300010039980	1	44	-2.0	-116.49	368.95	1.16	-115.33
O=C([O-])CS(=O)(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039981	0	39	-3.0	-185.20	355.65	0.06	-185.14
O=C([O-])CS(=O)(=O)CCN1CCCC(NC(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039981	1	40	-2.0	-108.66	356.62	1.54	-107.12
O=C([O-])C1=CC=C(CN2CCCC(NC(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039982	0	41	-2.0	-103.94	348.48	6.31	-97.63
O=C([O-])C1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010039982	1	40	-3.0	-176.42	350.99	4.99	-171.43
CCN(C)C(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039983	1	44	-2.0	-119.06	360.16	2.02	-117.04
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCCS(=O)(=O)C1	REAL300010039984	1	44	-2.0	-121.17	358.21	0.34	-120.83
CN(C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CC1	REAL300010039985	1	42	-2.0	-122.57	343.32	1.83	-120.74
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C2COCC2=C1	REAL300010039986	1	43	-2.0	-114.74	349.78	3.14	-111.60
C=CCN1CCC(N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1=O	REAL300010039987	1	43	-2.0	-122.99	352.35	2.69	-120.30
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCC1=CSC=C1	REAL300010039988	1	41	-2.0	-115.66	353.86	4.26	-111.40
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC(C2CC2)=CS1	REAL300010039989	1	41	-2.0	-108.46	359.68	3.87	-104.59
COCCOCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039990	1	42	-2.0	-122.49	345.64	0.61	-121.88
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCCC(F)(F)F	REAL300010039993	0	40	-2.0	-110.62	346.14	4.20	-106.42
COCC1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010039994	1	45	-2.0	-117.15	369.40	3.61	-113.54
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C2CCCC2=C1	REAL300010039995	1	45	-2.0	-120.91	359.89	5.78	-115.13
COC1=CC(Cl)=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039996	0	42	-2.0	-115.70	368.12	4.19	-111.51
CCS(=O)(=O)NCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010039997	1	45	-2.0	-119.81	385.02	-0.70	-120.51
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOCC(F)(F)C(F)F	REAL300010039998	0	41	-2.0	-122.69	348.31	2.71	-119.98
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCS(=O)(=O)C1	REAL300010039999	1	41	-2.0	-115.90	335.95	-0.73	-116.63
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCCC1CCOCC1	REAL300010040000	1	51	-2.0	-112.63	399.84	4.61	-108.02
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCC1=CC=NC=C1	REAL300010040001	1	43	-2.0	-111.80	361.80	4.31	-107.49
CS(=O)(=O)CC1(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CC1	REAL300010040002	1	44	-2.0	-128.77	365.65	1.28	-127.49
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(Cl)C=N1	REAL300010040003	0	37	-2.0	-108.83	336.39	3.08	-105.75
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCS(=O)(=O)CC1	REAL300010040004	1	44	-2.0	-107.91	361.89	1.58	-106.33
CC(C)CN1N=CN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040007	1	46	-2.0	-102.27	379.54	5.07	-97.20
CC(C)(C)C1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NO1	REAL300010040008	1	46	-2.0	-121.87	383.34	4.17	-117.70
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(C(F)F)=C1	REAL300010040009	0	41	-2.0	-114.78	356.08	4.84	-109.94
CC(C)N1N=CN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040012	1	43	-2.0	-102.77	358.86	4.10	-98.67
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NN=C2CCCCCN12	REAL300010040013	1	47	-2.0	-119.82	367.29	4.21	-115.61
CCCN1N=CN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040014	1	43	-2.0	-105.31	361.32	3.93	-101.38
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC=NN1CCF	REAL300010040015	0	40	-2.0	-101.81	346.13	3.68	-98.13
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC2=CC=CC=C2N=C1	REAL300010040016	1	43	-2.0	-112.61	361.75	4.23	-108.38
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NCC1CCCO1	REAL300010040017	1	46	-2.0	-118.89	373.55	-0.27	-119.16
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)N1CCCC1	REAL300010040018	1	42	-2.0	-119.04	341.41	2.09	-116.95
CC1CCCN(C(=O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1	REAL300010040019	1	48	-2.0	-121.82	377.56	2.99	-118.83
CN(C)C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040020	1	38	-2.0	-115.13	319.88	1.29	-113.84
COCCCNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040021	1	45	-2.0	-114.25	379.18	0.02	-114.23
CNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040022	1	35	-2.0	-114.19	302.52	-0.65	-114.84
NC(=O)NC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040023	1	36	-2.0	-120.92	316.14	-1.87	-122.79
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NOC=C1	REAL300010040024	0	34	-2.0	-122.50	300.20	1.45	-121.05
COC1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040025	1	42	-2.0	-116.01	353.41	3.27	-112.74
CCCCCNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040026	1	47	-2.0	-114.00	388.50	2.51	-111.49
CC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NO1	REAL300010040027	0	36	-2.0	-118.34	317.19	-0.23	-118.57
NC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NC2=CC=CC=C12	REAL300010040028	1	44	-2.0	-124.75	368.87	2.14	-122.61
CN(C)C1=NC(N)=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040029	0	45	-2.0	-118.84	377.51	4.36	-114.48
CCS(=O)(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040030	1	40	-2.0	-123.35	348.62	-0.10	-123.45
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(F)=CC(F)=C1	REAL300010040031	0	38	-2.0	-112.52	326.82	3.79	-108.73
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCF	REAL300010040032	0	34	-2.0	-108.18	291.60	2.39	-105.79
COCCOCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040033	1	42	-2.0	-122.49	345.64	0.61	-121.88
COC1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040034	1	42	-2.0	-116.01	353.41	3.27	-112.74
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(F)C=C1Cl	REAL300010040035	0	38	-2.0	-111.37	341.17	4.37	-107.00
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(Cl)=C1Cl	REAL300010040036	0	38	-2.0	-114.36	351.18	4.86	-109.50
COC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010040037	1	42	-2.0	-115.08	352.74	3.09	-111.99
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1C	REAL300010040038	1	44	-2.0	-115.95	360.93	5.63	-110.32
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=C(F)C=CC=C1F	REAL300010040039	0	38	-2.0	-118.33	329.09	4.37	-113.96
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(Cl)C=C1F	REAL300010040040	0	38	-2.0	-117.32	345.06	4.58	-112.74
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(Cl)=C1F	REAL300010040041	0	38	-2.0	-118.80	343.35	4.51	-114.29
CN(C)C(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040042	1	41	-2.0	-120.23	340.52	1.74	-118.49
COCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040043	1	38	-2.0	-110.49	318.69	1.32	-109.17
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(Cl)C(F)=C1	REAL300010040044	0	38	-2.0	-104.94	345.11	4.99	-99.95
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=NC=C1	REAL300010040045	1	37	-2.0	-111.78	318.19	2.03	-109.75
CC1=NOC(CCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040046	0	42	-2.0	-117.08	355.45	0.92	-116.16
CN1N=NN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040047	0	36	-2.0	-115.66	309.02	-0.17	-115.83
COC1=CC=CC(OCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040050	1	46	-2.0	-128.77	374.89	3.46	-125.31
CC1=CC=CN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040051	1	40	-2.0	-115.06	333.43	2.90	-112.16
COCC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040052	0	40	-2.0	-105.49	346.86	-0.94	-106.43
CC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040053	0	37	-2.0	-116.13	321.69	2.33	-113.80
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NNC(=O)C1CC1	REAL300010040054	1	43	-2.0	-113.50	370.70	0.37	-113.13
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCCCF	REAL300010040055	1	40	-2.0	-110.72	334.60	3.95	-106.77
CC1=NC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])S1	REAL300010040056	0	37	-2.0	-111.33	327.33	1.97	-109.36
CSC1=CC=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040057	1	42	-2.0	-118.07	357.59	4.77	-113.30
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(C(F)(F)F)C=N1	REAL300010040058	0	40	-2.0	-107.45	358.79	3.58	-103.87
CN1N=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040060	0	36	-2.0	-113.19	317.24	-0.11	-113.30
CN1C=NN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040062	0	37	-2.0	-104.30	316.58	3.45	-100.85
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=C(Cl)C=CS1	REAL300010040063	0	35	-2.0	-110.22	322.27	3.56	-106.66
CC1=CSC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040064	0	37	-2.0	-115.57	327.06	1.67	-113.90
CCC1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040065	1	44	-2.0	-116.83	357.22	5.32	-111.51
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])N=C1	REAL300010040066	1	40	-2.0	-115.12	341.11	3.23	-111.89
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC=C(Cl)S1	REAL300010040068	0	34	-2.0	-105.27	327.37	2.08	-103.19
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC2=CC=CN=C2S1	REAL300010040069	0	39	-2.0	-115.62	352.52	1.91	-113.71
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC=C(C2CC2)O1	REAL300010040070	0	41	-2.0	-112.12	350.58	1.65	-110.47
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(Cl)S1	REAL300010040071	0	35	-2.0	-108.45	331.53	3.86	-104.59
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCOCC1=CC=CC=C1	REAL300010040072	1	48	-2.0	-118.20	397.90	4.60	-113.60
COC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1Cl	REAL300010040073	0	42	-2.0	-115.63	368.05	4.27	-111.36
CCC1=CC=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040074	1	44	-2.0	-113.93	357.55	5.61	-108.32
CC(C)COCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040077	1	44	-2.0	-118.69	349.59	2.73	-115.96
COC1=CC=CC=C1CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040078	1	48	-2.0	-122.93	392.18	4.69	-118.24
CCN1N=CN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040079	0	40	-2.0	-100.93	339.51	3.54	-97.39
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC=NN1C1=CC=CC=C1	REAL300010040080	1	44	-2.0	-116.56	370.87	5.53	-111.03
CN1N=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040081	1	38	-2.0	-110.06	318.92	1.87	-108.19
CC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040082	0	36	-2.0	-109.57	317.36	-0.21	-109.78
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC(C2CCCC2)=NO1	REAL300010040083	0	46	-2.0	-105.61	378.69	2.17	-103.44
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NN(C2=CC=CC=C2)C=N1	REAL300010040084	1	44	-2.0	-120.88	378.03	6.09	-114.79
CN1N=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040085	0	37	-2.0	-118.00	322.10	0.30	-117.70
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1CCCO1	REAL300010040086	1	42	-2.0	-113.08	342.15	2.58	-110.50
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NCC1CC1	REAL300010040087	1	42	-2.0	-112.95	354.39	1.69	-111.26
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CSC(C2CC2)=N1	REAL300010040088	0	41	-2.0	-123.29	361.32	3.38	-119.91
O=C([O-])C1=CC=CC(CN2CCCC(NC(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040089	0	41	-2.0	-121.29	357.84	6.23	-115.06
O=C([O-])C1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040089	1	40	-3.0	-175.14	352.39	4.54	-170.60
CN1N=C(C2CC2)N=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040090	1	44	-2.0	-118.05	368.22	3.45	-114.60
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C(C)=C1	REAL300010040091	1	44	-2.0	-113.68	360.01	5.62	-108.06
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1CC1(Cl)Cl	REAL300010040092	0	38	-2.0	-108.61	345.06	4.27	-104.34
CC(C)C1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CO1	REAL300010040093	0	43	-2.0	-112.05	361.08	1.07	-110.98
CC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CO1	REAL300010040094	0	37	-2.0	-112.33	318.78	-0.29	-112.62
CCC1=NOC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040095	0	40	-2.0	-107.36	340.41	2.99	-104.37
CCC1=NN=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010040096	0	39	-2.0	-109.86	339.18	-1.98	-111.84
CC(C)C1=NN=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010040097	0	42	-2.0	-116.26	360.18	-1.49	-117.75
N#CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010040098	0	39	-2.0	-111.33	344.09	4.18	-107.15
N#CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010040099	0	39	-2.0	-111.33	344.09	4.18	-107.15
CCNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040100	1	38	-2.0	-114.26	324.01	0.19	-114.07
CC1=CC=CC=C1OCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040101	1	45	-2.0	-118.58	356.28	4.47	-114.11
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(F)=C1	REAL300010040102	0	38	-2.0	-111.51	330.32	4.05	-107.46
CC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CS1	REAL300010040103	0	37	-2.0	-113.72	331.49	2.08	-111.64
CC1=CC=CC(C)=C1OCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040104	1	48	-2.0	-111.63	392.97	5.93	-105.70
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NOC(C2=CC=CC=C2)=C1	REAL300010040105	1	44	-2.0	-111.22	379.17	5.70	-105.52
CC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040106	0	37	-2.0	-116.13	321.69	2.33	-113.80
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CN2C=CC=NC2=N1	REAL300010040107	1	40	-2.0	-121.07	347.01	5.41	-115.66
CC1=CC=C(F)C=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040108	0	41	-2.0	-106.81	343.28	4.87	-101.94
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(F)C(Cl)=C1	REAL300010040109	0	38	-2.0	-110.69	345.11	4.98	-105.71
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(F)=CC=C1Cl	REAL300010040110	0	38	-2.0	-107.83	340.38	4.86	-102.97
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC=CS1	REAL300010040111	0	34	-2.0	-109.38	310.30	1.46	-107.92
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(F)=C1Cl	REAL300010040112	0	38	-2.0	-115.38	341.86	4.45	-110.93
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCC1=CC=CC(F)=C1	REAL300010040113	1	44	-2.0	-117.21	369.18	5.78	-111.43
COC1=CC=C(Cl)C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040114	0	42	-2.0	-112.44	363.45	4.08	-108.36
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(C(F)F)C=C1	REAL300010040117	0	41	-2.0	-113.25	354.71	5.30	-107.95
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOCC(F)F	REAL300010040118	0	38	-2.0	-126.90	325.04	1.68	-125.22
CCN(CC)C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040119	1	44	-2.0	-118.65	355.53	2.71	-115.94
COC(=O)CC1(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CC1	REAL300010040120	1	44	-2.0	-120.72	365.41	4.25	-116.47
CCOC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040121	1	37	-2.0	-110.76	320.23	2.74	-108.02
CCOC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040122	1	37	-2.0	-110.76	320.23	2.74	-108.02
COC(=O)C1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010040123	0	44	-2.0	-113.94	378.04	4.46	-109.48
CCCCOC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040124	1	43	-2.0	-110.65	363.23	4.32	-106.33
COC(=O)CCNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040125	1	44	-2.0	-119.14	379.47	0.97	-118.17
COC(=O)C1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010040126	0	44	-2.0	-113.94	378.04	4.46	-109.48
CCOC(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040127	1	40	-2.0	-114.55	338.29	2.44	-112.11
CCOC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040128	1	37	-2.0	-110.76	320.23	2.74	-108.02
COC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040129	1	34	-2.0	-110.27	298.37	1.83	-108.44
CCOC(=O)CCCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040130	1	49	-2.0	-114.52	405.33	5.54	-108.98
COC(=O)CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040131	1	40	-2.0	-112.53	340.48	3.06	-109.47
CCOC(=O)CCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040132	1	46	-2.0	-115.72	383.84	4.76	-110.96
COC(=O)CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040133	1	40	-2.0	-112.53	340.48	3.06	-109.47
COC(=O)C1=CC=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040134	1	44	-2.0	-122.02	360.49	3.85	-118.17
COC(=O)C1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040135	0	44	-2.0	-115.09	378.71	4.64	-110.45
COC(=O)C1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])S1	REAL300010040136	0	41	-2.0	-111.55	370.51	3.99	-107.56
COC(=O)CN(C)C(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040137	1	47	-2.0	-120.02	394.59	2.41	-117.61
CC(C)OC(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040138	1	43	-2.0	-115.50	361.08	3.87	-111.63
CCCCOC(=O)C(C)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040139	1	46	-2.0	-111.65	377.41	4.12	-107.53
CCCOC(=O)C(C)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040140	1	43	-2.0	-111.73	355.91	3.34	-108.39
CCCCOC(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040141	1	46	-2.0	-114.29	383.84	4.75	-109.54
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)COC1=CC=CC=C1	REAL300010040142	1	46	-2.0	-115.21	377.07	1.66	-113.55
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)C(F)(F)F	REAL300010040143	0	35	-2.0	-104.53	313.80	-0.54	-105.07
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)CN1C=CC=N1	REAL300010040144	1	42	-2.0	-115.12	357.82	-0.26	-115.38
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC=C1C1CC1	REAL300010040145	1	45	-2.0	-113.23	364.89	6.27	-106.96
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C(Cl)=C1	REAL300010040146	0	41	-2.0	-116.28	356.67	5.07	-111.21
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCC1=C(F)C=CC=C1F	REAL300010040148	0	44	-2.0	-117.33	377.05	6.11	-111.22
CC(C)(C)N1N=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040150	1	45	-2.0	-119.25	379.00	1.94	-117.31
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010040151	1	40	-2.0	-119.44	330.39	2.61	-116.83
CC1=NC=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040152	1	40	-2.0	-111.44	333.90	2.83	-108.61
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NN2CCCC2=C1	REAL300010040153	1	42	-2.0	-120.60	351.78	2.78	-117.82
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300010040154	0	40	-3.0	-184.49	350.11	3.39	-181.10
O=C([O-])C1C(NC(=O)C(F)(F)F)CCCN1CC1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300010040154	1	41	-2.0	-97.26	356.87	4.65	-92.61
CC1=NOC(CCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040155	0	42	-2.0	-117.08	355.45	0.92	-116.16
CC1=NON=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040158	0	36	-2.0	-97.48	314.20	0.66	-96.82
N#CC1=CC=C(CCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010040161	1	42	-2.0	-115.01	363.23	4.94	-110.07
CC(C)(C)N1C=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])N=N1	REAL300010040163	1	46	-2.0	-112.84	378.17	2.55	-110.29
CCC(CC(F)F)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040165	0	43	-2.0	-107.77	341.64	4.13	-103.64
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1CCCCO1	REAL300010040167	1	45	-2.0	-112.42	359.64	3.37	-109.05
COC(=O)C1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CS1	REAL300010040168	0	41	-2.0	-112.57	370.37	3.70	-108.87
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC=C(Cl)Cl	REAL300010040169	0	32	-2.0	-105.38	304.03	2.80	-102.58
C=C(Cl)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040170	0	32	-2.0	-104.61	285.44	2.09	-102.52
COC1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1Cl	REAL300010040171	0	42	-2.0	-118.84	364.81	3.73	-115.11
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C(Cl)=N1	REAL300010040172	0	40	-2.0	-117.15	352.02	3.19	-113.96
CC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NC(C)=N1	REAL300010040173	1	42	-2.0	-118.14	356.57	2.97	-115.17
COC1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1Cl	REAL300010040175	0	42	-2.0	-118.84	364.81	3.73	-115.11
CC(C)(C)N1C=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010040176	1	47	-2.0	-114.07	387.27	3.76	-110.31
CC1=NOC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040177	0	37	-2.0	-110.60	319.39	2.03	-108.57
COC1=CC=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1OC	REAL300010040178	0	45	-2.0	-118.45	374.39	2.24	-116.21
CC1=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])SN=N1	REAL300010040179	0	36	-2.0	-103.69	314.48	0.87	-102.82
CN1N=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040180	1	38	-2.0	-110.06	318.92	1.87	-108.19
COC(CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300010040182	1	45	-2.0	-113.14	375.77	4.08	-109.06
CS(=O)(=O)C1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CO1	REAL300010040183	0	41	-2.0	-119.37	367.67	-0.62	-119.99
CCOC(CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CC1	REAL300010040185	1	45	-2.0	-111.19	364.86	4.04	-107.15
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(F)C(Cl)=C1	REAL300010040186	0	38	-2.0	-110.69	345.11	4.98	-105.71
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CN=C1C(F)(F)F	REAL300010040187	0	40	-2.0	-118.81	348.51	4.37	-114.44
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(C2CC2)=NO1	REAL300010040188	0	41	-2.0	-107.19	352.92	3.87	-103.32
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC=CC=C1Cl	REAL300010040189	0	37	-2.0	-116.14	330.54	2.78	-113.36
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC=CC=C1Cl	REAL300010040190	0	37	-2.0	-116.14	330.54	2.78	-113.36
CC1=CN=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040192	1	40	-2.0	-107.62	332.72	3.05	-104.57
CN1N=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1Cl	REAL300010040193	0	38	-2.0	-116.17	342.74	2.49	-113.68
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1SCCS1	REAL300010040194	1	40	-2.0	-115.87	348.13	4.13	-111.74
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CN=CC(Cl)=C1	REAL300010040195	0	37	-2.0	-109.95	335.58	2.69	-107.26
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(C2CC2)C=C1	REAL300010040196	1	45	-2.0	-115.71	372.48	5.90	-109.81
COCC(CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])OC	REAL300010040198	1	42	-2.0	-114.15	348.45	0.84	-113.31
CC(C)=CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040201	1	41	-2.0	-116.07	333.27	3.46	-112.61
CC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NO1	REAL300010040203	0	37	-2.0	-122.47	322.15	2.27	-120.20
COC1=CC=CC=C1OCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040204	1	46	-2.0	-126.13	372.12	3.91	-122.22
O=C([O-])CN1CCC(N2CCCC(NC(=O)C(F)(F)F)C2C(=O)[O-])C1=O	REAL300010040206	0	42	-2.0	-112.22	350.26	4.04	-108.18
O=C([O-])CN1CCC(N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1=O	REAL300010040206	1	41	-3.0	-190.35	343.97	2.33	-188.02
COC(CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CCC1	REAL300010040207	1	45	-2.0	-117.08	357.83	3.43	-113.65
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CN=CC(Cl)=C1	REAL300010040208	0	37	-2.0	-109.95	335.58	2.69	-107.26
CC(C)(C)N1N=NC(CCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040209	0	48	-2.0	-120.71	398.74	2.38	-118.33
CC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CC=N1	REAL300010040210	1	40	-2.0	-110.94	339.10	3.29	-107.65
COC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NC=C1C	REAL300010040211	1	44	-2.0	-113.73	366.02	2.49	-111.24
CC(C)C1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040213	1	47	-2.0	-116.65	374.62	5.80	-110.85
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NNC=N1	REAL300010040216	0	34	-2.0	-117.46	298.71	1.55	-115.91
N#CC1=CC=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040218	0	39	-2.0	-125.78	340.50	4.21	-121.57
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CSC(Cl)=N1	REAL300010040219	0	34	-2.0	-107.65	326.65	1.90	-105.75
CN1N=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040220	0	37	-2.0	-118.00	322.10	0.30	-117.70
CCN1C=C(CCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010040221	1	44	-2.0	-117.54	369.28	3.92	-113.62
COC(CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1=CC=CC=C1	REAL300010040222	1	45	-2.0	-115.62	377.02	4.11	-111.51
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=COC(C2CC2)=N1	REAL300010040223	0	41	-2.0	-111.71	354.14	1.35	-110.36
CC(C)(C)CNC(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040224	1	47	-2.0	-114.35	381.39	2.42	-111.93
COC(=O)CCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040225	1	43	-2.0	-115.87	361.97	3.84	-112.03
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NOC(C2CCC2)=N1	REAL300010040226	0	43	-2.0	-114.72	364.22	2.06	-112.66
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(O)=CC=C1Cl	REAL300010040227	0	39	-2.0	-115.08	341.75	1.73	-113.35
COC(=O)C1=CN=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010040228	0	42	-2.0	-116.04	370.17	0.99	-115.05
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC(F)(F)C1	REAL300010040229	0	41	-2.0	-109.58	342.58	3.99	-105.59
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOC1CCOCC1	REAL300010040230	1	46	-2.0	-118.30	371.88	1.85	-116.45
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC1=CC=CC=N1	REAL300010040231	0	41	-2.0	-127.54	348.78	1.91	-125.63
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])N=C1Cl	REAL300010040232	0	40	-2.0	-122.78	353.85	3.63	-119.15
CC1=CC(C)=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C(C)=N1	REAL300010040233	1	46	-2.0	-113.19	366.59	3.90	-109.29
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC(CC2CC2)=NO1	REAL300010040235	0	43	-2.0	-104.98	366.44	2.05	-102.93
CC1=NC=CN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040237	0	39	-2.0	-109.27	327.67	1.26	-108.01
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1F	REAL300010040238	0	41	-2.0	-118.23	350.63	4.69	-113.54
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1C#N	REAL300010040239	1	42	-2.0	-108.19	362.54	5.33	-102.86
COC1CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1	REAL300010040240	1	42	-2.0	-113.78	346.32	2.08	-111.70
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC(C2CCC2)=NO1	REAL300010040241	0	43	-2.0	-108.25	363.70	2.26	-105.99
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC2=C1CCOC2	REAL300010040242	1	46	-2.0	-112.79	368.64	4.98	-107.81
COC(=O)C1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040243	0	40	-2.0	-110.84	356.87	2.32	-108.52
O=C([O-])C=CCN1CCCC(NC(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040244	0	35	-2.0	-101.42	314.75	4.11	-97.31
O=C([O-])C=CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040244	1	34	-3.0	-180.69	307.91	2.89	-177.80
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCC1CC1	REAL300010040245	1	41	-2.0	-112.23	335.91	4.15	-108.08
CC1(C)CCC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])OC1	REAL300010040246	1	48	-2.0	-111.61	373.47	4.09	-107.52
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCCCO1	REAL300010040247	1	42	-2.0	-118.51	332.72	2.63	-115.88
CN1N=NN=C1CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040248	0	39	-2.0	-112.16	331.97	0.78	-111.38
CCC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010040249	1	44	-2.0	-114.80	365.41	5.87	-108.93
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010040250	0	43	-2.0	-105.80	366.21	5.60	-100.20
CC1=NOC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040251	0	37	-2.0	-110.60	319.39	2.03	-108.57
CC1=NC(C)=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010040252	0	40	-2.0	-115.94	336.53	-0.04	-115.98
CCC1=NC(C)=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010040253	0	43	-2.0	-116.03	358.02	0.72	-115.31
CC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CS1	REAL300010040254	1	38	-2.0	-114.84	326.82	3.68	-111.16
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NSC2=CC=CC=C21	REAL300010040255	1	40	-2.0	-109.15	350.98	4.50	-104.65
COC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040256	0	38	-2.0	-112.49	332.72	-0.26	-112.75
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1=CNN=C1	REAL300010040257	1	38	-2.0	-117.63	325.20	1.13	-116.50
CN1C=C(CCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010040258	1	41	-2.0	-121.78	345.20	2.33	-119.45
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NN=C2C(=O)NC=CN12	REAL300010040259	0	40	-2.0	-121.77	346.00	1.05	-120.72
CC1CCC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010040260	1	42	-2.0	-119.53	332.61	2.68	-116.85
CC1(C)COC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1	REAL300010040261	1	45	-2.0	-115.52	356.14	2.55	-112.97
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=NS1	REAL300010040262	0	34	-2.0	-107.14	305.47	1.83	-105.31
CCCC1=NC(C)=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010040263	0	46	-2.0	-115.84	379.52	1.49	-114.35
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC2(CCC2)O1	REAL300010040266	1	46	-2.0	-122.48	370.09	3.46	-119.02
C=CC=CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040267	1	39	-2.0	-114.46	330.53	3.50	-110.96
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCOC(F)(F)F	REAL300010040268	0	38	-2.0	-107.10	337.03	1.90	-105.20
CS(=O)(=O)CCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040269	1	43	-2.0	-123.53	370.15	0.58	-122.95
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1CCOC1=O	REAL300010040270	1	40	-2.0	-136.50	337.28	0.87	-135.63
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC2(CCOCC2)O1	REAL300010040271	1	50	-2.0	-122.21	394.19	2.36	-119.85
CC1(C)CCCC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010040272	1	48	-2.0	-114.70	373.03	3.72	-110.98
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1C=NN=N1	REAL300010040273	0	36	-2.0	-122.79	314.89	1.03	-121.76
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC2(CCCC2)O1	REAL300010040274	1	49	-2.0	-114.38	383.03	4.40	-109.98
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1CCCC1(F)F	REAL300010040275	0	44	-2.0	-122.41	358.16	4.54	-117.87
CN1N=CC=C1CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040276	1	41	-2.0	-115.42	345.61	2.21	-113.21
N#CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010040277	0	36	-2.0	-114.04	325.22	3.16	-110.88
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=C(Cl)N=CS1	REAL300010040278	0	34	-2.0	-106.35	319.80	1.88	-104.47
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(C(F)(F)F)=CO1	REAL300010040279	0	38	-2.0	-112.98	339.07	3.04	-109.94
CC1=CON=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040280	0	37	-2.0	-111.96	319.35	2.05	-109.91
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC2=NC=CC=C12	REAL300010040281	1	43	-2.0	-114.63	357.96	4.23	-110.40
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC2=C(CCCC2)O1	REAL300010040282	0	44	-2.0	-115.42	360.94	1.41	-114.01
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC2CCCC2O1	REAL300010040283	1	46	-2.0	-120.62	355.76	3.64	-116.98
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC2C(C1)C2(F)F	REAL300010040284	0	42	-2.0	-109.26	348.28	4.94	-104.32
COCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040285	1	38	-2.0	-110.49	318.69	1.32	-109.17
CC(F)(F)CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040286	0	40	-2.0	-111.96	339.13	3.95	-108.01
CC1=CNN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040287	1	38	-2.0	-119.90	317.05	0.72	-119.18
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC(C2CC2)O1	REAL300010040288	1	46	-2.0	-119.66	355.67	4.04	-115.62
CC1=CC(C#N)=CC(C)=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040289	1	45	-2.0	-110.25	372.01	5.06	-105.19
N#CC1=CC(Cl)=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040290	0	39	-2.0	-107.18	360.10	5.32	-101.86
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NNC=C1	REAL300010040293	0	35	-2.0	-115.01	305.12	0.66	-114.35
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC2(CCC2)CO1	REAL300010040294	1	49	-2.0	-113.20	382.15	4.31	-108.89
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCSC(F)(F)F	REAL300010040295	0	35	-2.0	-105.52	327.98	3.30	-102.22
CC1=NC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])S1	REAL300010040296	0	37	-2.0	-111.33	327.33	1.97	-109.36
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC(C(F)(F)F)O1	REAL300010040297	0	42	-2.0	-117.69	351.01	3.15	-114.54
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CN=C1[N+](=O)[O-]	REAL300010040298	0	39	-2.0	-109.67	330.19	3.36	-106.31
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOC1CC1	REAL300010040299	1	39	-2.0	-118.50	329.80	1.83	-116.67
CC1=CC=C(F)C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1F	REAL300010040301	0	41	-2.0	-123.90	352.09	4.43	-119.47
CCSC1=CC=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040302	1	45	-2.0	-119.17	380.74	5.73	-113.44
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1=CC=NS1	REAL300010040303	0	37	-2.0	-115.21	330.15	2.47	-112.74
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CN=NS1	REAL300010040306	0	33	-2.0	-103.28	302.12	1.04	-102.24
CC(C)COCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040307	1	48	-2.0	-112.96	390.74	1.05	-111.91
CC(C)OCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040308	1	45	-2.0	-112.73	369.41	0.31	-112.42
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)C1=CC=C(F)C=C1	REAL300010040309	0	42	-2.0	-112.82	350.56	2.12	-110.70
CCCCOCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040310	1	48	-2.0	-112.49	392.14	1.14	-111.35
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)CC1=CC=CC=C1	REAL300010040311	1	45	-2.0	-114.42	374.26	3.15	-111.27
CCOCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040312	1	42	-2.0	-112.65	349.14	-0.44	-113.09
CCCCCCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040313	1	50	-2.0	-111.86	400.42	3.26	-108.60
C=CCCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040314	1	42	-2.0	-112.01	348.74	1.48	-110.53
N#CC1=CC=C(C(O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010040315	0	43	-2.0	-117.92	367.00	2.16	-115.76
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)C1=CC=C(F)C(F)=C1	REAL300010040316	0	42	-2.0	-108.69	356.82	2.18	-106.51
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)C1=CC=C(F)C=C1F	REAL300010040317	0	42	-2.0	-109.55	362.16	1.94	-107.61
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)CN1CCCC1=O	REAL300010040318	1	46	-2.0	-113.04	378.43	0.51	-112.53
CC[C@H](O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040319	1	38	-2.0	-109.26	317.09	-0.21	-109.47
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)C1=CC=CC=C1	REAL300010040320	1	42	-2.0	-112.88	353.22	2.14	-110.74
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)CCC1=CC=CC=C1	REAL300010040321	1	48	-2.0	-113.75	395.84	3.94	-109.81
COCC(C)OCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040322	1	49	-2.0	-114.73	401.72	-0.24	-114.97
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)COC1CCOCC1	REAL300010040323	1	50	-2.0	-113.15	402.24	-0.16	-113.31
CSCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040325	1	39	-2.0	-111.80	337.85	0.60	-111.20
COCCOCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040326	1	46	-2.0	-114.37	382.77	-1.08	-115.45
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)CC1CCCC1	REAL300010040327	1	48	-2.0	-113.20	371.92	2.30	-110.90
CCOCCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040328	1	45	-2.0	-112.14	369.96	0.17	-111.97
CC(C)CCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040329	1	47	-2.0	-112.08	374.99	2.21	-109.87
CC(C)OCCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040330	1	48	-2.0	-112.25	390.23	0.93	-111.32
COC1=NSC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040331	0	38	-2.0	-106.65	337.98	-0.08	-106.73
CC(O)(CC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CC1	REAL300010040332	1	49	-2.0	-115.82	382.29	0.56	-115.26
CC(F)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040333	0	37	-2.0	-109.65	312.37	3.09	-106.56
CC(F)(F)CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040335	0	40	-2.0	-111.96	339.13	3.95	-108.01
CCOCCOCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040336	1	45	-2.0	-123.87	367.50	1.57	-122.30
COC(=O)C1=CN=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040337	0	43	-2.0	-111.70	373.81	2.84	-108.86
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(C(F)(F)F)=C1	REAL300010040338	0	41	-2.0	-110.72	362.96	4.99	-105.73
CCC1=NC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010040339	0	40	-2.0	-108.83	340.84	0.45	-108.38
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1CC1	REAL300010040340	1	38	-2.0	-113.62	318.22	3.49	-110.13
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC2COCC2O1	REAL300010040341	1	44	-2.0	-117.35	353.51	1.14	-116.21
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC(C2CC2)O1	REAL300010040342	1	46	-2.0	-119.66	355.67	4.04	-115.62
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCCO1	REAL300010040343	1	39	-2.0	-112.21	318.50	2.21	-110.00
CN1C=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040344	1	38	-2.0	-122.92	326.59	2.14	-120.78
CN1C=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])N=N1	REAL300010040345	0	37	-2.0	-112.49	318.21	0.61	-111.88
CN(C)S(=O)(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040346	1	42	-2.0	-118.17	361.45	-0.45	-118.62
CC1=CC(C)=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040347	1	43	-2.0	-124.29	362.69	3.55	-120.74
N#CC1(CCCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CCC1	REAL300010040348	1	48	-2.0	-114.11	391.22	5.14	-108.97
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1COC2=CC=CC=C2O1	REAL300010040349	1	44	-2.0	-115.91	365.47	3.62	-112.29
N#CC1=CC(F)=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040350	0	39	-2.0	-107.87	349.78	4.87	-103.00
CC1=CC(Cl)=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040351	0	41	-2.0	-108.85	355.33	5.46	-103.39
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOC1CCOC1	REAL300010040353	1	43	-2.0	-108.62	352.02	1.41	-107.21
CC(C)(C)C1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CO1	REAL300010040354	0	46	-2.0	-123.95	384.33	1.41	-122.54
CCC1=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C(C)=NO1	REAL300010040355	0	43	-2.0	-106.04	360.19	3.53	-102.51
O=C([O-])C1C(NC(=O)C(F)(F)F)CCCN1CCC1(C(=O)[O-])CCC1	REAL300010040356	0	44	-2.0	-107.16	360.08	6.46	-100.70
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCC1(C(=O)[O-])CCC1	REAL300010040356	1	44	-2.0	-136.32	356.89	6.84	-129.48
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCC1(C(=O)[O-])CCC1	REAL300010040356	1	44	-2.0	-110.59	351.05	6.32	-104.27
CC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CC=C1N(C)C	REAL300010040358	1	49	-2.0	-114.02	397.13	5.07	-108.95
CN1N=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1C(F)F	REAL300010040359	0	40	-2.0	-124.08	343.59	0.93	-123.15
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=NN1C1CCCC1	REAL300010040360	1	48	-2.0	-109.56	386.18	4.77	-104.79
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1COC2=CC=CC=C21	REAL300010040361	1	43	-2.0	-114.53	358.31	3.88	-110.65
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCOC1CCC1	REAL300010040362	1	45	-2.0	-117.25	365.05	2.98	-114.27
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=NN1CC(F)F	REAL300010040364	0	41	-2.0	-111.68	355.09	2.61	-109.07
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCN1C=NC=N1	REAL300010040365	1	40	-2.0	-110.63	342.17	4.68	-105.95
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1=CC=C(F)C=C1	REAL300010040366	1	41	-2.0	-115.10	348.79	4.62	-110.48
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCCCC1CC1	REAL300010040367	1	47	-2.0	-111.38	381.63	6.18	-105.20
CC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CC=C1Cl	REAL300010040368	0	41	-2.0	-110.79	357.97	5.53	-105.26
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1=CN=CC(F)=C1	REAL300010040369	0	40	-2.0	-115.04	343.65	2.83	-112.21
CC1=CON=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040370	0	37	-2.0	-111.96	319.35	2.05	-109.91
CC1=NC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010040371	0	39	-2.0	-108.91	334.09	2.33	-106.58
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1=CC=C2OCCC2=C1	REAL300010040372	1	46	-2.0	-119.43	378.28	4.37	-115.06
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(C(F)(F)F)=N1	REAL300010040373	0	40	-2.0	-106.55	350.82	3.20	-103.35
O=C([O-])C1C(NC(=O)C(F)(F)F)CCCN1CCC1(C(=O)[O-])CCOC1	REAL300010040374	0	45	-2.0	-130.06	365.40	4.11	-125.95
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CCC1(C(=O)[O-])CCOC1	REAL300010040374	1	45	-2.0	-143.20	354.55	4.04	-139.16
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCC1(C(=O)[O-])CCOC1	REAL300010040374	1	45	-2.0	-116.13	364.33	4.45	-111.68
CC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C(C2CC2)N=N1	REAL300010040375	1	46	-2.0	-107.99	380.36	4.22	-103.77
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC=C1CF	REAL300010040376	1	41	-2.0	-116.19	345.15	5.08	-111.11
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOC(F)F	REAL300010040377	0	35	-2.0	-110.73	308.53	0.94	-109.79
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOC1CC1	REAL300010040378	1	39	-2.0	-118.50	329.80	1.83	-116.67
CN1C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CCS1(=O)=O	REAL300010040379	1	43	-2.0	-113.11	348.09	-1.27	-114.38
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1CCCC1(F)F	REAL300010040380	0	44	-2.0	-122.41	358.16	4.54	-117.87
CC1=CN(C)N=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040381	1	41	-2.0	-117.08	345.83	2.43	-114.65
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CN(CCF)N=C1	REAL300010040382	0	41	-2.0	-110.96	355.43	2.74	-108.22
CCOC(=O)[C@@H]1C[C@H]1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040383	1	44	-2.0	-118.66	375.97	4.38	-114.28
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOC1CCSCC1	REAL300010040384	1	46	-2.0	-115.79	380.34	3.92	-111.87
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CON=C1C1CC1	REAL300010040385	0	41	-2.0	-112.12	351.94	3.63	-108.49
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=C2COCCC2=NN1	REAL300010040387	1	43	-2.0	-108.19	356.54	0.37	-107.82
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(C(F)(F)F)=N1	REAL300010040388	0	40	-2.0	-106.55	350.82	3.20	-103.35
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1CCCS1(=O)=O	REAL300010040389	1	43	-2.0	-138.02	362.33	-0.81	-138.83
COC1=CC(C)=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040390	0	43	-2.0	-118.51	369.06	0.61	-117.90
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC(F)(F)CO1	REAL300010040391	0	39	-2.0	-116.71	334.58	1.55	-115.16
C=C(Cl)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040392	0	32	-2.0	-104.61	285.44	2.09	-102.52
CC1=CN=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040393	1	40	-2.0	-112.98	336.90	2.82	-110.16
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1C	REAL300010040396	1	44	-2.0	-115.95	360.93	5.63	-110.32
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(N2C=CC=N2)N=C1	REAL300010040397	1	44	-2.0	-115.99	369.53	4.28	-111.71
O=C([O-])C1C(NC(=O)C(F)(F)F)CCCN1CC12CC(C(=O)[O-])(C1)C2	REAL300010040399	0	42	-2.0	-102.98	342.03	5.32	-97.66
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC12CC(C(=O)[O-])(C1)C2	REAL300010040399	1	41	-3.0	-186.84	338.61	4.07	-182.77
CCN1N=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040400	1	41	-2.0	-107.89	344.23	2.37	-105.52
CCOC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1F	REAL300010040401	0	45	-2.0	-108.77	380.10	4.73	-104.04
CC(C)C1=NOC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040402	0	43	-2.0	-105.98	352.68	3.32	-102.66
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC(=O)NC1=CC=CC=N1	REAL300010040404	0	44	-2.0	-124.47	371.99	2.47	-122.00
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCOCC(F)F	REAL300010040405	0	38	-2.0	-126.90	325.04	1.68	-125.22
CCOCC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CS1	REAL300010040406	0	44	-2.0	-114.30	387.02	2.09	-112.21
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCCN1C=NC=N1	REAL300010040407	1	40	-2.0	-110.63	342.17	4.68	-105.95
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1OCC2CCOC21	REAL300010040408	1	44	-2.0	-125.16	352.03	1.23	-123.93
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(=O)NC(C2CC2)=N1	REAL300010040411	1	44	-2.0	-117.84	378.46	2.46	-115.38
CC1=C(CCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])SC=N1	REAL300010040414	1	43	-2.0	-116.88	367.85	3.08	-113.80
CCC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040415	0	40	-2.0	-104.75	343.12	3.46	-101.29
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCCO1	REAL300010040416	1	39	-2.0	-112.21	318.50	2.21	-110.00
CC1=CC=C([N+](=O)[O-])C=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040417	0	43	-2.0	-104.05	365.11	5.48	-98.57
CC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CC(=O)N1	REAL300010040418	1	40	-2.0	-114.45	346.17	1.13	-113.32
N#CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])N=C1	REAL300010040419	0	38	-2.0	-107.93	340.51	2.99	-104.94
CN1C=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C(C(F)F)=N1	REAL300010040423	0	41	-2.0	-116.81	354.74	3.10	-113.71
COC(C)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040425	1	38	-2.0	-109.05	315.12	1.67	-107.38
CC1(C)COC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1	REAL300010040426	1	45	-2.0	-115.52	356.14	2.55	-112.97
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(Cl)=N1	REAL300010040427	0	37	-2.0	-107.82	327.18	2.53	-105.29
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC2COCCC2O1	REAL300010040428	1	47	-2.0	-120.69	367.68	1.93	-118.76
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1C[C@H]2COC[C@H]2O1	REAL300010040429	1	44	-2.0	-114.16	346.95	1.16	-113.00
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(F)=N1	REAL300010040430	0	37	-2.0	-107.15	316.74	2.05	-105.10
CC1=CC(Cl)=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040431	0	40	-2.0	-123.44	357.94	3.36	-120.08
CC(CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])CC(F)(F)F	REAL300010040432	0	40	-2.0	-109.93	335.37	3.90	-106.03
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC2(CO1)CCCCC2	REAL300010040433	1	52	-2.0	-120.34	391.03	4.61	-115.73
CC(C)(CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C(F)(F)F	REAL300010040434	0	43	-2.0	-107.72	355.19	4.18	-103.54
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCSC1CCCCC1	REAL300010040435	1	48	-2.0	-113.71	384.97	5.58	-108.13
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCCC1C(F)(F)F	REAL300010040438	0	44	-2.0	-107.74	353.19	4.38	-103.36
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC(F)(F)CO1	REAL300010040439	0	42	-2.0	-120.09	352.00	2.46	-117.63
COC(CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CCCOC1	REAL300010040441	1	49	-2.0	-118.69	384.97	1.59	-117.10
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCSC1CCOC1	REAL300010040442	1	43	-2.0	-111.44	364.65	2.98	-108.46
N#CC1(OCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CCOCC1	REAL300010040443	1	47	-2.0	-113.74	384.16	1.06	-112.68
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC2=NC=CC=C2C=C1	REAL300010040445	1	43	-2.0	-127.57	364.95	4.32	-123.25
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCS(=O)(=O)C1	REAL300010040446	1	41	-2.0	-115.90	335.95	-0.73	-116.63
CC(C)(C)C1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040447	0	46	-2.0	-107.31	383.41	4.24	-103.07
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC(F)C1	REAL300010040450	0	38	-2.0	-116.60	319.58	3.19	-113.41
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NN=C2CCCN12	REAL300010040451	1	41	-2.0	-112.13	345.26	3.62	-108.51
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCCC2(CCOC2)O1	REAL300010040452	1	50	-2.0	-117.05	388.24	2.53	-114.52
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CN2C=CC=C(F)C2=N1	REAL300010040453	0	41	-2.0	-135.58	357.09	4.99	-130.59
CC(C)(C)C1=CN=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040454	1	49	-2.0	-112.34	392.01	4.47	-107.87
CC(C)(C)C1=CN=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040455	1	49	-2.0	-112.34	392.01	4.47	-107.87
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NN(CCF)C=C1	REAL300010040456	0	41	-2.0	-115.10	356.23	2.98	-112.12
CCC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CC(=O)N1	REAL300010040457	1	43	-2.0	-122.60	363.12	2.21	-120.39
CCC1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040458	0	40	-2.0	-104.75	343.12	3.46	-101.29
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1=CC=CC=C1CO	REAL300010040459	1	45	-2.0	-113.10	369.39	2.55	-110.55
COC1=CC(C)=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010040460	0	44	-2.0	-106.35	364.22	1.44	-104.91
CCCC1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040461	1	46	-2.0	-115.46	383.42	4.78	-110.68
CC1(C)CCOC1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040462	1	45	-2.0	-118.98	355.95	2.65	-116.33
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC2(CCOC2)O1	REAL300010040463	1	47	-2.0	-114.48	373.76	1.80	-112.68
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC2(CCCC2)CO1	REAL300010040464	1	49	-2.0	-121.01	382.52	3.56	-117.45
COC(=O)C1=NN(C)C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040465	0	44	-2.0	-110.83	371.93	2.18	-108.65
N#CC1(OCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CCOC1	REAL300010040466	1	44	-2.0	-112.86	363.32	0.89	-111.97
CC(CC(F)F)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040468	0	40	-2.0	-112.31	334.13	4.12	-108.19
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C(F)=C1	REAL300010040469	0	41	-2.0	-115.21	347.50	4.71	-110.50
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCCC(C2CC2)O1	REAL300010040470	1	49	-2.0	-116.92	380.51	4.02	-112.90
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC2(CO1)CCOCC2	REAL300010040472	1	50	-2.0	-119.35	389.97	1.90	-117.45
CN1N=CC=C1C(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040473	1	42	-2.0	-113.69	349.81	-0.87	-114.56
N#CC1(OCCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CCC1	REAL300010040474	1	43	-2.0	-113.62	364.25	2.50	-111.12
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1=CC=C(Cl)N=C1	REAL300010040475	0	40	-2.0	-114.91	357.06	3.30	-111.61
O=C([O-])C1=COC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040477	0	36	-3.0	-179.79	328.01	-0.69	-180.48
O=C([O-])C1=COC(CN2CCCC(NC(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040477	1	37	-2.0	-100.54	333.62	1.36	-99.18
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC=CC=C1F	REAL300010040478	0	37	-2.0	-120.30	321.77	2.40	-117.90
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NN=C(C2CC2)S1	REAL300010040479	0	40	-2.0	-115.95	353.04	2.36	-113.59
CC1=NN=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])S1	REAL300010040480	0	36	-2.0	-105.71	325.30	1.38	-104.33
CC(C)C1=NN=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])S1	REAL300010040481	0	42	-2.0	-121.13	367.72	2.28	-118.85
CCC1=NN=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])S1	REAL300010040482	0	39	-2.0	-105.53	346.78	2.14	-103.39
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NN=CS1	REAL300010040483	0	33	-2.0	-104.29	303.31	0.67	-103.62
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NN=C(C2CC2)S1	REAL300010040484	0	40	-2.0	-115.95	353.04	2.36	-113.59
CC1=NN=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])S1	REAL300010040485	0	36	-2.0	-105.71	325.30	1.38	-104.33
CCC1=NN=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])S1	REAL300010040486	0	39	-2.0	-105.53	346.78	2.14	-103.39
CC(C)C1=NN=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])S1	REAL300010040487	0	42	-2.0	-121.13	367.72	2.28	-118.85
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC(=O)NC1	REAL300010040488	1	42	-2.0	-110.56	332.48	0.07	-110.49
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1CCCC(=O)O1	REAL300010040489	1	44	-2.0	-116.87	362.68	4.31	-112.56
C[C@@H]1CCO[C@@H]1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040490	1	42	-2.0	-119.70	336.88	1.60	-118.10
N#CC(OCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CC1	REAL300010040491	1	43	-2.0	-119.20	361.15	3.53	-115.67
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(C2CC2)=C1	REAL300010040492	1	45	-2.0	-116.32	363.03	5.94	-110.38
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=CC(C2CC2)=C1	REAL300010040493	1	45	-2.0	-116.32	363.03	5.94	-110.38
O=C([O-])CCOCCN1CCCC(NC(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040494	0	41	-2.0	-106.76	344.59	4.34	-102.42
O=C([O-])CCOCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040494	1	40	-3.0	-195.42	341.27	2.12	-193.30
COC1=CC=CC(C(F)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040496	0	45	-2.0	-117.88	379.61	4.01	-113.87
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCCCO1	REAL300010040497	1	42	-2.0	-118.51	332.72	2.63	-115.88
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCCCCO1	REAL300010040498	1	45	-2.0	-115.86	346.84	3.07	-112.79
COC1=CC=C(F)C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040499	0	42	-2.0	-116.90	354.32	3.68	-113.22
CCC(CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])CC(F)(F)F	REAL300010040500	0	43	-2.0	-104.25	350.50	7.16	-97.09
CC1=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])N(C)N=C1	REAL300010040501	1	41	-2.0	-108.72	336.92	2.39	-106.33
C[C@@H]1[C@@H](CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1(F)F	REAL300010040502	0	38	-2.0	-115.20	327.36	3.81	-111.39
C=CCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040503	1	38	-2.0	-111.05	319.33	3.59	-107.46
CC1(C)CC(CCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C(=O)N1	REAL300010040504	1	48	-2.0	-130.97	382.83	1.57	-129.40
CCN1C=NN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040505	1	40	-2.0	-104.13	339.09	4.37	-99.76
CC1=CC=C(F)C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040507	0	41	-2.0	-113.77	346.27	5.07	-108.70
CC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CC=C1Cl	REAL300010040508	0	41	-2.0	-110.79	357.97	5.53	-105.26
CC1(C)CCCN1C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040509	1	48	-2.0	-124.94	377.26	3.00	-121.94
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC=CBr	REAL300010040510	0	32	-2.0	-106.52	299.84	2.85	-103.67
COCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040511	1	38	-2.0	-110.49	318.69	1.32	-109.17
COC1=CC=CC=C1[C@@H](O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040512	1	46	-2.0	-115.07	380.79	1.60	-113.47
CC1=CC(Cl)=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040513	0	41	-2.0	-116.22	362.06	5.15	-111.07
CN(C(=O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CCCC1	REAL300010040515	1	48	-2.0	-121.65	374.20	3.31	-118.34
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC1(F)F	REAL300010040516	0	35	-2.0	-113.30	306.84	2.75	-110.55
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC2C(C1)C2(F)F	REAL300010040518	0	45	-2.0	-111.97	350.84	4.78	-107.19
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC2(CC2(F)F)C1	REAL300010040519	0	42	-2.0	-111.93	353.76	4.26	-107.67
CC1=NN(C)C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040520	1	41	-2.0	-109.04	337.96	2.07	-106.97
CC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CC=C1F	REAL300010040521	0	41	-2.0	-110.36	349.24	5.12	-105.24
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CN2CC(CCC2=O)O1	REAL300010040522	1	47	-2.0	-123.26	365.26	1.95	-121.31
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC2=CC=CC=C2O1	REAL300010040523	1	43	-2.0	-113.45	357.81	4.37	-109.08
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CON=C1C1CCC1	REAL300010040525	0	44	-2.0	-110.16	366.36	4.09	-106.07
CCC=CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040526	1	38	-2.0	-111.13	321.13	3.75	-107.38
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1=CC=CN=C1Cl	REAL300010040527	0	40	-2.0	-120.64	353.02	3.19	-117.45
COC1=CC=C(F)C=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040529	0	42	-2.0	-112.39	356.57	4.12	-108.27
CC1=C(Cl)C=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040530	0	41	-2.0	-111.77	352.35	4.92	-106.85
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1C=CN=N1	REAL300010040531	0	37	-2.0	-124.39	320.17	0.61	-123.78
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C[C@H](O)C1=CC=CC=C1F	REAL300010040532	0	42	-2.0	-123.77	356.65	2.23	-121.54
CC=CCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040533	1	38	-2.0	-114.47	316.98	2.94	-111.53
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC(=O)N1CCCC1	REAL300010040536	1	45	-2.0	-120.33	369.20	3.05	-117.28
CCN(CC)C(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040537	1	47	-2.0	-120.48	380.13	2.95	-117.53
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC(=O)N1CCCCCC1	REAL300010040538	1	51	-2.0	-126.83	396.42	4.11	-122.72
O=C([O-])CCCCCN1CCCC(NC(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040539	0	43	-2.0	-100.28	358.12	5.98	-94.30
O=C([O-])CCCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040539	1	42	-3.0	-175.10	357.15	4.52	-170.58
CC1=NC(Cl)=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040540	0	40	-2.0	-107.11	350.81	3.23	-103.88
O=C([O-])CCCCN1CCCC(NC(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040541	0	40	-2.0	-102.10	336.62	5.20	-96.90
O=C([O-])CCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040541	1	39	-3.0	-179.33	335.65	3.74	-175.59
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CSC(Cl)=C1	REAL300010040542	0	35	-2.0	-109.52	331.21	3.55	-105.97
COC1=CC=C(C)N=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040543	1	44	-2.0	-127.41	366.56	2.38	-125.03
CC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CN=C1Cl	REAL300010040544	0	40	-2.0	-108.13	345.01	3.05	-105.08
CC(=O)NC1=CC=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040545	1	45	-2.0	-107.27	374.52	3.31	-103.96
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(C2CC(=O)C2)C=C1	REAL300010040546	1	47	-2.0	-118.23	391.73	5.48	-112.75
CC=C(C)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040547	1	38	-2.0	-111.19	316.28	3.45	-107.74
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC1(C(F)(F)F)CCC1	REAL300010040548	0	44	-2.0	-114.23	363.33	4.36	-109.87
CC1=CC(C)=NN1CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040549	1	44	-2.0	-115.30	365.39	3.06	-112.24
NS(=O)(=O)CCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040551	1	42	-2.0	-120.76	363.39	-1.97	-122.73
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC(C(F)(F)F)C1	REAL300010040552	0	41	-2.0	-111.01	346.99	3.86	-107.15
C=CCC1=CC=CC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040553	1	45	-2.0	-114.46	371.17	6.18	-108.28
C=CCC1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040554	1	45	-2.0	-116.65	370.04	5.88	-110.77
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)C1=CC=CC=C1	REAL300010040559	1	42	-2.0	-123.26	346.53	1.73	-121.53
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C[C@H](O)C1=CC=CC=C1	REAL300010040560	1	42	-2.0	-112.62	352.76	2.19	-110.43
CCC1=CSC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040561	1	40	-2.0	-109.99	353.60	2.78	-107.21
COC1=NC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1C	REAL300010040562	0	44	-2.0	-112.05	361.66	1.24	-110.81
CC(C)C1=NC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])S1	REAL300010040563	1	43	-2.0	-111.04	369.60	3.33	-107.71
COCC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NO1	REAL300010040565	0	41	-2.0	-109.26	354.79	1.83	-107.43
COC[C@@H](CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])OC	REAL300010040566	1	42	-2.0	-111.52	347.97	1.81	-109.71
CC(C)(C)C1=NOC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040567	0	46	-2.0	-106.77	370.96	4.32	-102.45
O=C([O-])COCCN1CCCC(NC(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040569	0	38	-2.0	-123.77	321.35	4.19	-119.58
O=C([O-])COCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040569	1	37	-3.0	-217.92	317.91	1.99	-215.93
CCC1=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=NO1	REAL300010040570	0	40	-2.0	-121.88	343.63	3.06	-118.82
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC(CO)CO1	REAL300010040571	1	43	-2.0	-121.26	353.78	-1.36	-122.62
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)CC1CCCO1	REAL300010040573	1	46	-2.0	-117.84	367.32	0.65	-117.19
CC1=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])N(C)N=C1	REAL300010040574	1	41	-2.0	-108.72	336.92	2.39	-106.33
CC(C)C(O)(CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C(F)(F)F	REAL300010040575	0	44	-2.0	-113.79	353.36	3.08	-110.71
CCCC(O)(CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C(F)(F)F	REAL300010040576	0	44	-2.0	-118.08	342.34	0.80	-117.28
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)CC1=CC=CC(F)=C1	REAL300010040577	1	45	-2.0	-113.73	373.23	3.14	-110.59
CCCCCOCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040578	1	51	-2.0	-112.42	413.64	1.92	-110.50
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CC2(CC2F)C1	REAL300010040579	1	42	-2.0	-114.71	346.02	4.43	-110.28
COC1=CC=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040580	0	41	-2.0	-119.87	340.15	1.42	-118.45
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(C2CC2)=NO1	REAL300010040581	0	41	-2.0	-107.19	352.92	3.87	-103.32
CC1(CC(O)CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CCCO1	REAL300010040582	1	49	-2.0	-119.43	381.36	1.27	-118.16
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC2(CC2(F)F)C1	REAL300010040583	0	45	-2.0	-117.39	374.31	5.34	-112.05
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC=C(F)N=C1	REAL300010040586	0	37	-2.0	-114.94	315.19	1.94	-113.00
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1C=CC=CC1=O	REAL300010040587	1	41	-2.0	-112.36	348.91	3.58	-108.78
CC(C)CCOCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040590	1	47	-2.0	-121.18	372.70	3.46	-117.72
CC(CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C(F)F	REAL300010040591	0	40	-2.0	-113.37	335.49	3.76	-109.61
COCCOCCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040592	1	45	-2.0	-114.47	374.17	1.55	-112.92
CC(C)C1=NOC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040593	0	42	-2.0	-110.44	359.67	0.84	-109.60
COC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C(C)=N1	REAL300010040594	0	44	-2.0	-108.85	364.29	1.49	-107.36
CC1CCOC1CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040595	1	45	-2.0	-115.39	363.78	2.82	-112.57
CC(C)C(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040596	1	41	-2.0	-109.26	331.36	0.58	-108.68
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)C1=CC=CC(Cl)=N1	REAL300010040599	0	41	-2.0	-123.17	367.39	0.11	-123.06
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)C1=CC=CC=N1	REAL300010040600	1	41	-2.0	-113.69	347.40	0.44	-113.25
CN1C=C([N+](=O)[O-])C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040601	0	40	-2.0	-123.39	347.20	2.14	-121.25
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)C1CCCO1	REAL300010040602	1	43	-2.0	-113.56	347.76	0.08	-113.48
CNS(=O)(=O)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040603	0	39	-2.0	-117.84	341.62	-2.30	-120.14
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(C2=CC=CC=C2)=NN1	REAL300010040604	1	45	-2.0	-111.63	384.53	4.07	-107.56
N#CCC1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040605	0	41	-2.0	-125.28	357.84	3.58	-121.70
CCCOCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040606	1	41	-2.0	-120.00	333.63	2.17	-117.83
CC(F)(F)C1=CC=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040607	0	43	-2.0	-108.48	364.47	3.87	-104.61
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NOC(C2CCCC2)=C1	REAL300010040608	0	47	-2.0	-122.32	387.69	4.94	-117.38
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCC=CBr	REAL300010040609	0	35	-2.0	-110.71	316.75	2.79	-107.92
COC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010040613	0	41	-2.0	-115.81	340.97	0.47	-115.34
COC1=CC=CN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040614	0	41	-2.0	-121.82	344.82	1.76	-120.06
CC1=CN=C(F)C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010040615	0	40	-2.0	-121.47	344.66	3.22	-118.25
CC1=CC(F)=NC=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040616	0	40	-2.0	-102.68	338.45	2.92	-99.76
CC1=NC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C(C)O1	REAL300010040617	0	40	-2.0	-123.23	336.51	-0.06	-123.29
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC(O)CCC1CC1	REAL300010040618	1	45	-2.0	-111.63	359.33	2.17	-109.46
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=NC=CS1	REAL300010040619	0	34	-2.0	-109.38	310.30	1.46	-107.92
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1CCC(CO)CO1	REAL300010040620	1	46	-2.0	-124.17	371.53	-0.40	-124.57
CC1(C)COCC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010040621	1	46	-2.0	-117.22	360.50	1.97	-115.25
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CCN1C=CC=N1	REAL300010040622	1	38	-2.0	-120.82	323.70	2.00	-118.82
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1CC1=CC(=O)NC2=CC=CC=C12	REAL300010040623	1	44	-2.0	-124.07	366.11	2.74	-121.33
CC1=CC=C(O)C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040624	1	41	-2.0	-124.82	347.85	0.23	-124.59
COC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C(F)=C1	REAL300010040625	0	42	-2.0	-120.04	357.81	3.35	-116.69
CC1=CC=C(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010040626	0	43	-2.0	-105.80	366.21	5.60	-100.20
CCCCCSCCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040627	1	47	-2.0	-113.29	391.66	5.23	-108.06
CCCC(O)CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040628	1	41	-2.0	-111.70	335.93	0.92	-110.78
CC1CCC(CCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010040630	1	45	-2.0	-121.51	358.10	2.78	-118.73
CN1C=C(CCN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])N=N1	REAL300010040631	1	40	-2.0	-130.77	342.16	1.13	-129.64
COC1=NC(C)=CC(CN2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010040633	0	43	-2.0	-123.71	366.93	-0.33	-124.04
C=C(Br)CCN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040634	0	35	-2.0	-115.66	316.86	2.71	-112.95
CN1C([N+](=O)[O-])=CN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040636	0	40	-2.0	-101.73	348.93	3.88	-97.85
CC1=NC=CN=C1CN1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010040637	0	39	-2.0	-109.27	327.67	1.26	-108.01
CCN(CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1)C(C)C(=O)[O-]	REAL300010041101	0	36	-2.0	-108.71	302.24	3.04	-105.67
O=C(CN1CCCC(O)(C(=O)[O-])C1)[N-]C1=NC2=C(CCCC2)S1	REAL300010041882	1	42	-2.0	-101.11	345.49	2.75	-98.36
CCC1=C(C)SC([N-]C(=O)CN2CCCC(O)(C(=O)[O-])C2)=N1	REAL300010041913	1	41	-2.0	-95.86	341.83	1.77	-94.09
CC(C)(C)C1=NOC([N-]C(=O)CN2CCCC(O)(C(=O)[O-])C2)=C1	REAL300010042049	1	44	-2.0	-97.52	354.88	1.43	-96.09
O=C([O-])C1(O)CCCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010042594	0	38	-2.0	-94.44	323.79	1.06	-93.38
CC1=CC=C(C2=CSC([N-]C(=O)CN3CCCC(O)(C(=O)[O-])C3)=N2)C=C1	REAL300010043134	1	45	-2.0	-96.77	379.65	4.16	-92.61
O=C([O-])C1(O)CCCN(CC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=CS2)C1	REAL300010043135	1	42	-2.0	-92.46	364.65	3.55	-88.91
O=C([O-])C1(O)CCCN(CC(=O)[N-]C2=NC(C3=CC=C(F)C(F)=C3)=CS2)C1	REAL300010043136	1	42	-2.0	-93.20	370.94	3.61	-89.59
O=C([O-])C1(O)CCCN(CC(=O)N[N-]C(=O)C2=CC=CS2)C1	REAL300010043146	1	37	-2.0	-109.21	323.39	-0.51	-109.72
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3CCCC(O)(C(=O)[O-])C3)S2)=C1	REAL300010043164	1	48	-2.0	-99.08	406.45	5.44	-93.64
O=C([O-])C1(O)CCCN(CC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)C1	REAL300010043194	1	45	-2.0	-97.91	391.45	4.84	-93.07
O=C([O-])C1(O)CCCN(CC(=O)[N-]C2=NC3=CC=CC=C3S2)C1	REAL300010043197	1	38	-2.0	-101.08	329.10	2.60	-98.48
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCCC(O)(C(=O)[O-])C2)=N1	REAL300010043244	1	44	-2.0	-101.15	377.72	2.16	-98.99
CC1CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CCC1C(=O)[O-]	REAL300010044897	0	40	-2.0	-94.91	329.75	3.91	-91.00
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC(C)(C(=O)[O-])CC2)=C1	REAL300010046565	1	46	-2.0	-101.82	357.69	4.13	-97.69
CC1(C(=O)[O-])CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1	REAL300010047106	0	40	-2.0	-96.12	326.92	3.79	-92.33
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCC(C)(C(=O)[O-])CC2)=N1	REAL300010047758	1	46	-2.0	-103.09	380.53	4.86	-98.23
O=C([O-])C1C2=CC=CC=C2CCN1CC(=O)[N-]C1=NC=CS1	REAL300010049597	1	35	-2.0	-112.25	297.74	4.07	-108.18
O=C(CN1CCC2=CC=CC=C2C1C(=O)[O-])[N-]C1=NC2=C(CCCC2)S1	REAL300010049602	1	45	-2.0	-118.95	361.49	6.65	-112.30
CCC1=C(C)SC([N-]C(=O)CN2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300010049630	1	44	-2.0	-113.30	357.83	5.67	-107.63
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300010049737	1	47	-2.0	-114.95	368.27	5.52	-109.43
CC1=NOC([N-]C(=O)CN2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300010050006	1	38	-2.0	-111.75	310.27	3.45	-108.30
O=C([O-])C1C2=CC=CC=C2CCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010050125	0	41	-2.0	-121.87	341.21	5.83	-116.04
CC(=O)C1=CC(Cl)=CC(CN2CCC3=CC=CC=C3C2C(=O)[O-])=C1[O-]	REAL300010050288	1	41	-2.0	-107.23	331.34	8.76	-98.47
O=C([O-])C1C2=CC=CC=C2CCN1CC(=O)[N-]C1=NN=CS1	REAL300010050410	0	34	-2.0	-112.40	292.69	2.90	-109.50
O=C([O-])C1=CC=CC=C1OCCN1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300010050495	0	42	-2.0	-144.14	334.37	9.15	-134.99
O=C([O-])CS(=O)(=O)CCN1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300010050497	0	37	-2.0	-114.35	310.60	3.79	-110.56
O=C([O-])C1=CC=C(CN2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300010050499	0	38	-2.0	-102.02	303.78	8.66	-93.36
O=C([O-])C1C2=CC=CC=C2CCN1CC(=O)N[N-]C(=O)C1=CC=CS1	REAL300010050578	1	40	-2.0	-111.68	341.85	3.91	-107.77
O=C(CN1CCC2=CC=CC=C2C1C(=O)[O-])[N-]C1=NC2=CC=CC=C2S1	REAL300010050604	1	41	-2.0	-118.47	345.11	6.50	-111.97
O=C([O-])C1=CC=CC(CN2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300010050627	0	38	-2.0	-106.77	315.11	9.24	-97.53
O=C([O-])C1C2=CC=CC=C2CCN1CC1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300010050719	0	38	-2.0	-118.03	297.21	6.84	-111.19
O=C([O-])CN1CCC(N2CCC3=CC=CC=C3C2C(=O)[O-])C1=O	REAL300010050771	0	39	-2.0	-147.91	303.97	7.41	-140.50
O=C([O-])C1C2=CC=CC=C2CCN1CC12CC(C(=O)[O-])(C1)C2	REAL300010050976	1	39	-2.0	-102.60	299.34	7.86	-94.74
O=C([O-])C1=COC(CN2CCC3=CC=CC=C3C2C(=O)[O-])=N1	REAL300010051057	0	34	-2.0	-97.86	282.42	3.79	-94.07
CC1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300010051267	1	41	-2.0	-117.01	333.98	5.14	-111.87
CCC1=C(C)SC([N-]C(=O)CN2CCCC2(C)C(=O)[O-])=N1	REAL300010051294	1	40	-2.0	-110.93	327.52	3.72	-107.21
CC(C)(C)C1=NOC([N-]C(=O)CN2CCCC2(C)C(=O)[O-])=C1	REAL300010051409	1	43	-2.0	-110.19	340.13	3.34	-106.85
CC1(C(=O)[O-])CCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010051743	0	37	-2.0	-112.57	309.91	3.12	-109.45
CC1=CC=C(C2=CSC([N-]C(=O)CN3CCCC3(C)C(=O)[O-])=N2)C=C1	REAL300010052124	1	44	-2.0	-106.93	365.69	6.34	-100.59
CC1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1	REAL300010052125	1	41	-2.0	-106.89	349.90	5.49	-101.40
CC1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC(C2=CC=C(F)C(F)=C2)=CS1	REAL300010052126	1	41	-2.0	-108.38	356.19	5.54	-102.84
CCCC1=CC=C(C2=CSC([N-]C(=O)CN3CCCC3(C)C(=O)[O-])=N2)C=C1	REAL300010052133	1	50	-2.0	-111.39	407.88	7.64	-103.75
CC1(C(=O)[O-])CCCN1CC(=O)N[N-]C(=O)C1=CC=CS1	REAL300010052136	1	36	-2.0	-107.94	313.69	1.79	-106.15
CC1=CC(C)=C(C2=CSC([N-]C(=O)CN3CCCC3(C)C(=O)[O-])=N2)C=C1C	REAL300010052140	1	50	-2.0	-111.83	402.29	7.36	-104.47
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3CCCC3(C)C(=O)[O-])S2)=C1	REAL300010052150	1	47	-2.0	-113.46	391.70	7.37	-106.09
CC1=C(C2=CC=C(Cl)C=C2)N=C([N-]C(=O)CN2CCCC2(C)C(=O)[O-])S1	REAL300010052171	1	44	-2.0	-109.73	378.36	6.48	-103.25
CC1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300010052172	1	44	-2.0	-111.98	376.71	6.78	-105.20
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)CN2CCCC2(C)C(=O)[O-])S1	REAL300010052173	1	50	-2.0	-119.40	406.28	7.70	-111.70
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CN2CCCC2(C)C(=O)[O-])=N1	REAL300010052174	1	50	-2.0	-115.60	409.28	7.81	-107.79
CC1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300010052178	1	37	-2.0	-115.42	314.35	4.52	-110.90
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN2CCCC2(C)C(=O)[O-])S1	REAL300010052185	0	47	-2.0	-102.60	387.85	6.58	-96.02
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCCC2(C)C(=O)[O-])=N1	REAL300010052213	1	43	-2.0	-116.85	362.99	4.07	-112.78
O=C([O-])C1CN(CC(=O)[N-]C2=NC=CS2)CC2=CC=CC=C21	REAL300010052584	1	35	-2.0	-111.06	299.65	4.10	-106.96
O=C(CN1CC2=CC=CC=C2C(C(=O)[O-])C1)[N-]C1=NC2=C(CCCC2)S1	REAL300010052589	1	45	-2.0	-117.49	363.41	6.69	-110.80
CCC1=C(C)SC([N-]C(=O)CN2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300010052617	1	44	-2.0	-109.82	359.74	5.70	-104.12
CC(C(=O)[N-]C1=NC=CS1)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300010052669	1	38	-2.0	-117.24	315.59	4.62	-112.62
CC1=C(C)SC([N-]C(=O)C(C)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300010052671	1	44	-2.0	-107.82	355.31	5.45	-102.37
CC(C)(C)C1=NOC([N-]C(=O)CN2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300010052739	1	47	-2.0	-99.86	377.63	5.71	-94.15
O=C([O-])C1CN(CC2=NC(=O)C3=C(C=CS3)[N-]2)CC2=CC=CC=C21	REAL300010053091	0	37	-2.0	-119.51	314.12	6.19	-113.32
O=C([O-])C1CN(CC2=NC(=O)C3=CC=C(Cl)C=C3[N-]2)CC2=CC=CC=C21	REAL300010053094	1	40	-2.0	-94.47	343.98	6.98	-87.49
O=C([O-])C1CN(CC2=NC(=O)C3=CC(Cl)=CC=C3[N-]2)CC2=CC=CC=C21	REAL300010053140	1	40	-2.0	-95.23	344.06	6.97	-88.26
CC1=NOC([N-]C(=O)CN2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300010053143	1	38	-2.0	-98.10	317.01	3.84	-94.26
O=C([O-])C1CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC2=CC=CC=C21	REAL300010053277	0	41	-2.0	-97.65	341.29	4.92	-92.73
O=C([O-])C1CN(CC(=O)[N-]C2=NN=CS2)CC2=CC=CC=C21	REAL300010053609	0	34	-2.0	-113.38	294.58	2.93	-110.45
CC1=NOC([N-]C(=O)C(C)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300010053671	1	41	-2.0	-99.11	333.26	4.29	-94.82
O=C([O-])CS(=O)(=O)CCN1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300010053727	0	37	-2.0	-107.65	320.52	4.06	-103.59
O=C([O-])C1CN(CC(=O)N[N-]C(=O)C2=CC=CS2)CC2=CC=CC=C21	REAL300010053827	1	40	-2.0	-117.50	346.22	3.69	-113.81
O=C(CN1CC2=CC=CC=C2C(C(=O)[O-])C1)[N-]C1=NC2=CC=CC=C2S1	REAL300010053865	1	41	-2.0	-117.82	347.02	6.52	-111.30
O=C([O-])C1CN(CC2=CC([O-])=CC=C2[N+](=O)[O-])CC2=CC=CC=C21	REAL300010053991	0	38	-2.0	-106.51	306.71	6.13	-100.38
O=C([O-])CN1CCC(N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1=O	REAL300010054051	0	39	-2.0	-103.92	315.18	6.30	-97.62
O=C([O-])C1=COC(CN2CC3=CC=CC=C3C(C(=O)[O-])C2)=N1	REAL300010054371	0	34	-2.0	-99.62	289.64	3.32	-96.30
O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300010054662	1	39	-2.0	-112.10	322.13	0.37	-111.73
CCC1=C(C)SC([N-]C(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300010054689	1	38	-2.0	-110.58	321.96	-0.14	-110.72
CC(C)(C)C1=NOC([N-]C(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])=C1	REAL300010054805	1	41	-2.0	-115.04	339.95	0.06	-114.98
O=C([O-])[C@@H]1C[C@H](O)CN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010055147	0	35	-2.0	-110.02	308.06	-0.44	-110.46
CC(=O)C1=CC(Cl)=CC(CN2C[C@@H](O)C[C@H]2C(=O)[O-])=C1[O-]	REAL300010055281	1	35	-2.0	-126.54	305.85	2.85	-123.69
CC1=CC=C(C2=CSC([N-]C(=O)CN3C[C@@H](O)C[C@H]3C(=O)[O-])=N2)C=C1	REAL300010055531	1	42	-2.0	-111.32	358.35	2.20	-109.12
O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1	REAL300010055532	1	39	-2.0	-106.47	343.35	1.59	-104.88
O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)[N-]C1=NC(C2=CC=C(F)C(F)=C2)=CS1	REAL300010055533	1	39	-2.0	-107.96	349.64	1.64	-106.32
CCCC1=CC=C(C2=CSC([N-]C(=O)CN3C[C@@H](O)C[C@H]3C(=O)[O-])=N2)C=C1	REAL300010055540	1	48	-2.0	-110.86	401.33	3.74	-107.12
O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)N[N-]C(=O)C1=CC=CS1	REAL300010055543	1	34	-2.0	-113.43	313.51	-1.55	-114.98
CC1=CC(C)=C(C2=CSC([N-]C(=O)CN3C[C@@H](O)C[C@H]3C(=O)[O-])=N2)C=C1C	REAL300010055547	1	48	-2.0	-110.85	391.09	3.96	-106.89
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3C[C@@H](O)C[C@H]3C(=O)[O-])S2)=C1	REAL300010055557	1	45	-2.0	-113.01	385.15	3.47	-109.54
CC1=C(C2=CC=C(Cl)C=C2)N=C([N-]C(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300010055578	1	42	-2.0	-109.32	371.83	2.58	-106.74
O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300010055579	1	42	-2.0	-111.60	370.15	2.87	-108.73
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])S1	REAL300010055580	1	48	-2.0	-122.61	404.31	4.32	-118.29
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300010055581	1	48	-2.0	-114.95	399.40	3.80	-111.15
O=C([O-])[C@@H]1C[C@H](O)CN1CC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300010055585	1	35	-2.0	-111.42	305.73	0.20	-111.22
CCOC(=O)CC1=CSC([N-]C(=O)CN2C[C@@H](O)C[C@H]2C(=O)[O-])=N1	REAL300010055620	1	41	-2.0	-116.50	356.44	0.18	-116.32
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CNC(C)(C)C(=O)[O-])S1	REAL300010056577	0	43	-2.0	-95.34	368.55	5.48	-89.86
O=C([O-])C1CCN(CC(=O)[N-]C2=NC=CS2)C2=CC=C(Br)C=C21	REAL300010057049	1	35	-2.0	-96.61	322.01	5.63	-90.98
O=C([O-])CN1CCC(C(=O)[O-])C2=CC(Br)=CC=C21	REAL300010057050	0	28	-2.0	-99.61	258.24	7.16	-92.45
O=C([O-])CN1CCC(C(=O)[O-])C2=CC(Br)=CC=C21	REAL300010057051	0	28	-2.0	-99.61	258.24	7.16	-92.45
CC1=NOC([N-]C(=O)CN2CCC(C(=O)[O-])C3=CC(Br)=CC=C32)=C1	REAL300010057176	1	38	-2.0	-95.20	335.92	5.20	-90.00
O=C([O-])C1CCN(CC(=O)[N-]C2=NN=CS2)C2=CC=C(Br)C=C21	REAL300010057265	0	34	-2.0	-97.64	316.96	4.45	-93.19
O=C([O-])CCCCN1CCC(C(=O)[O-])C2=CC(Br)=CC=C21	REAL300010057278	0	37	-2.0	-103.09	318.10	8.94	-94.15
O=C([O-])CNC(=O)CN1CCC(C(=O)[O-])C2=CC(Br)=CC=C21	REAL300010057279	0	35	-2.0	-94.08	317.21	5.63	-88.45
O=C([O-])CCCN1CCC(C(=O)[O-])C2=CC(Br)=CC=C21	REAL300010057280	0	34	-2.0	-99.83	296.60	8.16	-91.67
O=C([O-])C1=CC=C(CN2CCC(C(=O)[O-])C3=CC(Br)=CC=C32)C=C1	REAL300010057281	0	38	-2.0	-98.72	329.43	9.99	-88.73
CN1N=C(CN2CCC(C(=O)[O-])C3=CC(Br)=CC=C32)[N-]C1=O	REAL300010057297	1	35	-2.0	-95.96	309.35	4.70	-91.26
O=C([O-])C1=CC=CC(CN2CCC(C(=O)[O-])C3=CC(Br)=CC=C32)=C1	REAL300010057364	0	38	-2.0	-117.54	332.50	10.07	-107.47
O=C([O-])CN1CCC(N2CCC(C(=O)[O-])C3=CC(Br)=CC=C32)C1=O	REAL300010057454	0	39	-2.0	-128.73	325.74	7.71	-121.02
O=C([O-])C=CCN1CCC(C(=O)[O-])C2=CC(Br)=CC=C21	REAL300010057485	0	32	-2.0	-102.93	290.42	8.05	-94.88
O=C([O-])C1=COC(CN2CCC(C(=O)[O-])C3=CC(Br)=CC=C32)=N1	REAL300010057640	0	34	-2.0	-98.04	306.90	4.91	-93.13
O=C([O-])CCOCCN1CCC(C(=O)[O-])C2=CC(Br)=CC=C21	REAL300010057656	0	38	-2.0	-94.27	334.08	7.76	-86.51
O=C([O-])CCCCCN1CCC(C(=O)[O-])C2=CC(Br)=CC=C21	REAL300010057693	0	40	-2.0	-100.26	339.60	9.72	-90.54
O=C([O-])CCCCN1CCC(C(=O)[O-])C2=CC(Br)=CC=C21	REAL300010057695	0	37	-2.0	-103.09	318.10	8.94	-94.15
O=C([O-])COCCN1CCC(C(=O)[O-])C2=CC(Br)=CC=C21	REAL300010057712	0	35	-2.0	-97.92	313.24	7.65	-90.27
COCC1(C(=O)[O-])CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010058643	0	41	-2.0	-98.42	347.34	2.07	-96.35
COCC1(C(=O)[O-])CCN(CC(=O)[N-]C2=NN=CS2)C1	REAL300010058998	0	34	-2.0	-103.58	296.74	0.58	-103.00
COCC1(C(=O)[O-])CCN(CCS(=O)(=O)CC(=O)[O-])C1	REAL300010059119	1	37	-2.0	-110.76	319.06	1.43	-109.33
CN1C=C(C2CC(C(=O)[O-])CN(CC(=O)[N-]C3=NC=CS3)C2)C=N1	REAL300010060579	1	41	-2.0	-114.38	353.96	3.84	-110.54
CN1C=C(C2CC(C(=O)[O-])CN(CC(=O)[N-]C3=CC(C(C)(C)C)=NO3)C2)C=N1	REAL300010060693	1	53	-2.0	-117.30	424.20	5.33	-111.97
CC1=NOC([N-]C(=O)CN2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=C1	REAL300010060979	1	44	-2.0	-115.32	363.59	3.45	-111.87
CN1C=C(C2CC(C(=O)[O-])CN(CC(=O)[N-]C3=NN=CS3)C2)C=N1	REAL300010061320	0	40	-2.0	-116.64	348.91	2.67	-113.97
CN1C=C(C2CC(C(=O)[O-])CN(CC(=O)NCC(=O)[O-])C2)C=N1	REAL300010061407	0	41	-2.0	-107.56	344.65	3.54	-104.02
CN1C=C(C2CC(C(=O)[O-])CN(CCS(=O)(=O)CC(=O)[O-])C2)C=N1	REAL300010061410	0	43	-2.0	-109.73	370.45	3.45	-106.28
CN1C=C(C2CC(C(=O)[O-])CN(CC(=O)N[N-]C(=O)C3=CC=CS3)C2)C=N1	REAL300010061485	1	46	-2.0	-116.19	401.41	3.55	-112.64
CN1C=C(C2CC(C(=O)[O-])CN(C3CCN(CC(=O)[O-])C3=O)C2)C=N1	REAL300010061742	1	45	-2.0	-126.64	362.77	6.21	-120.43
CN1C=C(C2CC(C(=O)[O-])CN(CC3=NC(C(=O)[O-])=CO3)C2)C=N1	REAL300010062123	0	40	-2.0	-111.23	344.99	3.17	-108.06
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010062519	1	43	-2.0	-96.72	345.62	3.85	-92.87
O=C([O-])[C@@H]1CCCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010063001	0	37	-2.0	-93.56	314.05	3.48	-90.08
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010063569	0	47	-2.0	-94.11	393.31	7.08	-87.03
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300010063601	1	43	-2.0	-99.86	368.03	4.55	-95.31
O=C(CN1CCCC[C@@H]1C(=O)[O-])[N-]C1=NC2=C(CCCC2)S1	REAL300010064056	1	41	-2.0	-113.00	330.78	4.93	-108.07
CCC1=C(C)SC([N-]C(=O)CN2CCCC[C@@H]2C(=O)[O-])=N1	REAL300010064083	1	40	-2.0	-111.43	330.61	4.42	-107.01
CC(C)(C)C1=NOC([N-]C(=O)CN2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010064198	1	43	-2.0	-112.15	342.19	4.02	-108.13
O=C([O-])[C@H]1CCCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010064534	0	37	-2.0	-108.77	310.66	3.71	-105.06
CC(=O)C1=CC(Cl)=CC(CN2CCCC[C@@H]2C(=O)[O-])=C1[O-]	REAL300010064665	1	37	-2.0	-128.50	314.19	7.09	-121.41
CC1=CC=C(C2=CSC([N-]C(=O)CN3CCCC[C@@H]3C(=O)[O-])=N2)C=C1	REAL300010064915	1	44	-2.0	-112.21	367.00	6.76	-105.45
O=C([O-])[C@H]1CCCCN1CC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1	REAL300010064916	1	41	-2.0	-107.25	352.00	6.15	-101.10
O=C([O-])[C@H]1CCCCN1CC(=O)[N-]C1=NC(C2=CC=C(F)C(F)=C2)=CS1	REAL300010064918	1	41	-2.0	-103.48	358.29	6.20	-97.28
CCCC1=CC=C(C2=CSC([N-]C(=O)CN3CCCC[C@@H]3C(=O)[O-])=N2)C=C1	REAL300010064925	1	50	-2.0	-111.74	409.97	8.30	-103.44
O=C([O-])[C@H]1CCCCN1CC(=O)N[N-]C(=O)C1=CC=CS1	REAL300010064928	1	36	-2.0	-113.59	310.28	2.07	-111.52
CC1=CC(C)=C(C2=CSC([N-]C(=O)CN3CCCC[C@@H]3C(=O)[O-])=N2)C=C1C	REAL300010064935	1	50	-2.0	-111.75	399.65	8.49	-103.26
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3CCCC[C@@H]3C(=O)[O-])S2)=C1	REAL300010064947	1	47	-2.0	-114.79	393.80	8.04	-106.75
CC1=C(C2=CC=C(Cl)C=C2)N=C([N-]C(=O)CN2CCCC[C@@H]2C(=O)[O-])S1	REAL300010064969	1	44	-2.0	-110.20	380.48	7.14	-103.06
O=C([O-])[C@H]1CCCCN1CC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300010064970	1	44	-2.0	-113.41	378.78	7.42	-105.99
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)CN2CCCC[C@@H]2C(=O)[O-])S1	REAL300010064971	1	50	-2.0	-121.31	408.23	8.38	-112.93
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CN2CCCC[C@@H]2C(=O)[O-])=N1	REAL300010064972	1	50	-2.0	-116.54	408.04	8.36	-108.18
O=C(CN1CCCC[C@@H]1C(=O)[O-])[N-]C1=NC2=CC=CC=C2S1	REAL300010064976	1	37	-2.0	-116.88	316.44	5.19	-111.69
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN2CCCC[C@@H]2C(=O)[O-])S1	REAL300010064983	0	47	-2.0	-104.16	383.32	6.79	-97.37
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCCC[C@@H]2C(=O)[O-])=N1	REAL300010065011	1	43	-2.0	-117.58	365.11	4.74	-112.84
O=C(CN1CCCC[C@H]1C(=O)[O-])[N-]C1=NC2=C(CCCC2)S1	REAL300010065268	1	41	-2.0	-114.20	331.28	4.99	-109.21
CCC1=C(C)SC([N-]C(=O)CN2CCCC[C@H]2C(=O)[O-])=N1	REAL300010065295	1	40	-2.0	-112.49	331.10	4.48	-108.01
CC(C)(C)C1=NOC([N-]C(=O)CN2CCCC[C@H]2C(=O)[O-])=C1	REAL300010065410	1	43	-2.0	-116.00	336.57	3.52	-112.48
O=C([O-])[C@@H]1CCCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010065746	0	37	-2.0	-113.90	311.20	3.70	-110.20
CC(=O)C1=CC(Cl)=CC(CN2CCCC[C@H]2C(=O)[O-])=C1[O-]	REAL300010065877	1	37	-2.0	-111.60	310.01	7.26	-104.34
CC1=CC=C(C2=CSC([N-]C(=O)CN3CCCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300010066127	1	44	-2.0	-113.36	367.50	6.83	-106.53
O=C([O-])[C@@H]1CCCCN1CC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1	REAL300010066128	1	41	-2.0	-108.43	352.51	6.21	-102.22
O=C([O-])[C@@H]1CCCCN1CC(=O)[N-]C1=NC(C2=CC=C(F)C(F)=C2)=CS1	REAL300010066130	1	41	-2.0	-109.32	358.79	6.27	-103.05
CCCC1=CC=C(C2=CSC([N-]C(=O)CN3CCCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300010066137	1	50	-2.0	-112.93	410.49	8.36	-104.57
O=C([O-])[C@@H]1CCCCN1CC(=O)N[N-]C(=O)C1=CC=CS1	REAL300010066140	1	36	-2.0	-110.03	315.80	2.46	-107.57
CC1=CC(C)=C(C2=CSC([N-]C(=O)CN3CCCC[C@H]3C(=O)[O-])=N2)C=C1C	REAL300010066147	1	50	-2.0	-113.42	401.43	8.58	-104.84
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3CCCC[C@H]3C(=O)[O-])S2)=C1	REAL300010066159	1	47	-2.0	-115.97	394.30	8.09	-107.88
CC1=C(C2=CC=C(Cl)C=C2)N=C([N-]C(=O)CN2CCCC[C@H]2C(=O)[O-])S1	REAL300010066181	1	44	-2.0	-110.95	380.97	7.20	-103.75
O=C([O-])[C@@H]1CCCCN1CC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300010066182	1	44	-2.0	-114.29	379.31	7.49	-106.80
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)CN2CCCC[C@H]2C(=O)[O-])S1	REAL300010066183	1	50	-2.0	-121.90	406.90	8.38	-113.52
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CN2CCCC[C@H]2C(=O)[O-])=N1	REAL300010066184	1	50	-2.0	-117.86	408.56	8.42	-109.44
O=C(CN1CCCC[C@H]1C(=O)[O-])[N-]C1=NC2=CC=CC=C2S1	REAL300010066188	1	37	-2.0	-118.29	316.95	5.26	-113.03
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN2CCCC[C@H]2C(=O)[O-])S1	REAL300010066195	0	47	-2.0	-102.51	389.89	7.25	-95.26
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCCC[C@H]2C(=O)[O-])=N1	REAL300010066223	1	43	-2.0	-120.27	359.46	4.37	-115.90
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010066690	1	43	-2.0	-96.22	345.20	3.83	-92.39
O=C([O-])[C@H]1CCCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010067172	0	37	-2.0	-94.52	313.36	3.46	-91.06
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)S1	REAL300010067740	0	47	-2.0	-100.56	387.83	6.69	-93.87
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCC[C@H](C(=O)[O-])C2)=N1	REAL300010067772	1	43	-2.0	-99.72	368.07	4.55	-95.17
COC(=O)CCN(CC(=O)[O-])CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010069046	0	39	-2.0	-111.70	337.38	2.96	-108.74
COC(=O)CCN(CC(=O)[O-])CC(=O)[N-]C1=NN=CS1	REAL300010069400	1	32	-2.0	-110.50	298.23	1.52	-108.98
COC(=O)CCN(CCS(=O)(=O)CC(=O)[O-])CC(=O)[O-]	REAL300010069525	0	35	-2.0	-113.44	311.56	1.59	-111.85
COC(=O)CCN(CC(=O)[O-])CC1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300010069780	1	36	-2.0	-103.07	308.70	4.86	-98.21
C[C@@H]1CCC[C@H](C(=O)[O-])N1CC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300010070955	1	44	-2.0	-117.49	342.38	5.09	-112.40
CCC1=C(C)SC([N-]C(=O)CN2[C@H](C)CCC[C@@H]2C(=O)[O-])=N1	REAL300010070986	1	43	-2.0	-115.59	342.21	4.58	-111.01
C[C@@H]1CCC[C@H](C(=O)[O-])N1CC(=O)[N-]C1=CC(C(C)(C)C)=NO1	REAL300010071105	1	46	-2.0	-119.07	353.30	4.04	-115.03
C[C@@H]1CCC[C@H](C(=O)[O-])N1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010071486	0	40	-2.0	-117.22	321.74	4.21	-113.01
CC1=CC=C(C2=CSC([N-]C(=O)CN3[C@H](C)CCC[C@@H]3C(=O)[O-])=N2)C=C1	REAL300010071918	1	47	-2.0	-116.68	378.60	6.92	-109.76
C[C@@H]1CCC[C@H](C(=O)[O-])N1CC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1	REAL300010071919	1	44	-2.0	-111.48	363.60	6.31	-105.17
C[C@@H]1CCC[C@H](C(=O)[O-])N1CC(=O)[N-]C1=NC(C2=CC=C(F)C(F)=C2)=CS1	REAL300010071920	1	44	-2.0	-107.54	369.89	6.37	-101.17
C[C@@H]1CCC[C@H](C(=O)[O-])N1CC(=O)N[N-]C(=O)C1=CC=CS1	REAL300010071929	1	39	-2.0	-115.27	327.39	2.60	-112.67
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3[C@H](C)CCC[C@@H]3C(=O)[O-])S2)=C1	REAL300010071940	1	50	-2.0	-119.36	405.40	8.19	-111.17
C[C@@H]1CCC[C@H](C(=O)[O-])N1CC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300010071960	1	47	-2.0	-117.22	390.40	7.60	-109.62
C[C@@H]1CCC[C@H](C(=O)[O-])N1CC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300010071963	1	40	-2.0	-117.14	325.98	4.93	-112.21
CCOC(=O)CC1=CSC([N-]C(=O)CN2[C@H](C)CCC[C@@H]2C(=O)[O-])=N1	REAL300010072005	1	46	-2.0	-119.88	376.66	4.91	-114.97
COC(=O)C1CC2(C1)CN(CC(=O)NCC(=O)[O-])CC2C(=O)[O-]	REAL300010073615	1	41	-2.0	-103.94	343.82	3.63	-100.31
COC(=O)C1CC2(C1)CN(CCS(=O)(=O)CC(=O)[O-])CC2C(=O)[O-]	REAL300010073618	1	43	-2.0	-110.63	369.88	3.55	-107.08
COC(=O)C1CC2(C1)CN(CC1=NC(C(=O)[O-])=CO1)CC2C(=O)[O-]	REAL300010074283	0	40	-2.0	-123.91	343.30	3.19	-120.72
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CC(C)(C)C1=NOC([N-]C(=O)CN2CC(CCC(=O)[O-])CC3=CC=CC=C32)=C1	REAL300010074685	1	53	-2.0	-105.15	420.11	8.01	-97.14
CC1=NOC([N-]C(=O)CN2CC(CCC(=O)[O-])CC3=CC=CC=C32)=C1	REAL300010074886	1	44	-2.0	-102.64	360.33	6.22	-96.42
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CN1N=C(CN2CC(CCC(=O)[O-])CC3=CC=CC=C32)[N-]C1=O	REAL300010075277	0	41	-2.0	-96.22	328.67	5.28	-90.94
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O=C([O-])CCCCCN1CC(CCC(=O)[O-])CC2=CC=CC=C21	REAL300010075855	0	46	-2.0	-100.24	362.73	10.63	-89.61
O=C([O-])CCCCN1CC(CCC(=O)[O-])CC2=CC=CC=C21	REAL300010075858	0	43	-2.0	-96.82	341.23	9.85	-86.97
O=C([O-])CCC1CC2=CC=CC=C2N(CCOCC(=O)[O-])C1	REAL300010075887	0	41	-2.0	-99.13	326.43	8.33	-90.80
CN(CCCC(=O)[O-])CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010080834	0	36	-2.0	-93.55	311.94	3.19	-90.36
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN(C)CCCC(=O)[O-])S1	REAL300010081333	1	46	-2.0	-94.85	391.25	6.73	-88.12
CC1(C(=O)[O-])CCCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010082356	0	40	-2.0	-93.74	329.00	4.40	-89.34
COCC1(C(=O)[O-])CCCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010084086	0	44	-2.0	-110.53	360.85	3.34	-107.19
COCC1(C(=O)[O-])CCCN(CC(=O)[N-]C2=NN=CS2)C1	REAL300010084421	0	37	-2.0	-97.02	313.14	2.01	-95.01
COCC1(C(=O)[O-])CCCN(CCS(=O)(=O)CC(=O)[O-])C1	REAL300010084542	1	40	-2.0	-109.30	333.92	2.79	-106.51
COCCN(CCC(=O)[O-])CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010086264	0	40	-2.0	-97.34	343.92	2.32	-95.02
COCCN(CCC(=O)[O-])CC(=O)N[N-]C(=O)C1=CC=CS1	REAL300010086828	1	39	-2.0	-102.60	348.96	1.16	-101.44
C[C@@H](O)[C@H](NCC1=NC2=CC=CC=C2S(=O)(=O)[N-]1)C(=O)[O-]	REAL300010088107	0	34	-2.0	-108.15	304.01	-0.81	-108.96
C[C@@H](O)[C@H](NCC(=O)N[N-]C(=O)C1=CC=CS1)C(=O)[O-]	REAL300010088459	1	33	-2.0	-108.42	310.98	-1.87	-110.29
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN[C@H](C(=O)[O-])[C@@H](C)O)S1	REAL300010088510	0	44	-2.0	-101.23	383.29	2.94	-98.29
O=C([O-])[C@@H](CC1=CC=CC=C1)NCC(=O)[N-]C1=NN=CS1	REAL300010089841	1	33	-2.0	-106.01	309.43	3.34	-102.67
O=C([O-])CN1CCC(N[C@H](CC2=CC=CC=C2)C(=O)[O-])C1=O	REAL300010090264	1	38	-2.0	-133.23	328.23	6.89	-126.34
O=C([O-])[C@]12CN(CC(=O)[N-]C3=NN=CS3)C[C@H]1C1=CC=CC=C1OC2	REAL300010091569	0	39	-2.0	-116.18	335.62	2.65	-113.53
O=C([O-])CNC(=O)CN1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300010091645	1	40	-2.0	-107.55	330.82	3.53	-104.02
O=C([O-])CS(=O)(=O)CCN1C[C@H]2C3=CC=CC=C3OC[C@@]2(C(=O)[O-])C1	REAL300010091650	0	42	-2.0	-109.23	356.72	3.48	-105.75
O=C([O-])C1=COC(CN2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=N1	REAL300010092330	1	39	-2.0	-115.32	317.62	3.27	-112.05
CC(NCC(=O)[N-]C1=NC=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300010094726	1	34	-2.0	-109.86	298.36	4.06	-105.80
CC(C)(C)C1=NOC([N-]C(=O)CNC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010094870	1	46	-2.0	-109.93	371.39	5.40	-104.53
CC1=NOC([N-]C(=O)CNC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010095150	1	37	-2.0	-107.73	310.75	3.52	-104.21
CC(NCC1=NC2=CC=CC=C2S(=O)(=O)[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300010095268	0	40	-2.0	-106.57	340.04	4.73	-101.84
CC(NCC(=O)[N-]C1=NN=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300010095567	0	33	-2.0	-108.66	293.18	2.89	-105.77
CC1=CC=C(C2=CSC([N-]C(=O)CNC(C)(C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300010095717	1	47	-2.0	-111.30	396.28	8.08	-103.22
CC(NCC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300010095718	1	44	-2.0	-106.45	381.28	7.47	-98.98
CC(NCC(=O)N[N-]C(=O)C1=CC=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300010095726	1	39	-2.0	-109.21	345.05	3.76	-105.45
CC(NCC(=O)[N-]C1=NC2=CC=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300010095753	1	40	-2.0	-116.15	345.73	6.51	-109.64
CCOC(=O)CC1=CSC([N-]C(=O)CNC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300010095806	1	46	-2.0	-116.60	394.37	6.06	-110.54
CC(NCC1=CC([O-])=CC=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300010095856	1	37	-2.0	-97.14	303.78	6.91	-90.23
CC(NC1CCN(CC(=O)[O-])C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300010095899	0	38	-2.0	-104.64	313.48	6.36	-98.28
COCC1(C(=O)[O-])CCN(CC(=O)[N-]C2=NC=CS2)CC1	REAL300010098428	1	38	-2.0	-101.69	317.38	2.07	-99.62
COCC1(C(=O)[O-])CCN(CC(=O)[N-]C2=CC(C(C)(C)C)=NO2)CC1	REAL300010098579	1	50	-2.0	-104.59	390.52	3.35	-101.24
COCC1(C(=O)[O-])CCN(CC(=O)[N-]C2=CC(C)=NO2)CC1	REAL300010098990	1	41	-2.0	-103.37	329.57	2.12	-101.25
COCC1(C(=O)[O-])CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1	REAL300010099126	0	44	-2.0	-106.50	359.85	3.07	-103.43
COCC1(C(=O)[O-])CCN(CC(=O)[N-]C2=NN=CS2)CC1	REAL300010099461	0	37	-2.0	-104.25	311.99	1.55	-102.70
COCC1(C(=O)[O-])CCN(CCS(=O)(=O)CC(=O)[O-])CC1	REAL300010099582	0	40	-2.0	-105.99	331.58	1.53	-104.46
COCC1(C(=O)[O-])CCN(CC(=O)N[N-]C(=O)C2=CC=CS2)CC1	REAL300010099678	1	43	-2.0	-107.40	365.46	1.82	-105.58
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCC(COC)(C(=O)[O-])CC2)=N1	REAL300010099786	1	50	-2.0	-109.72	413.03	4.70	-105.02
COCC1(C(=O)[O-])CCN(CC2=CC([O-])=CC=C2[N+](=O)[O-])CC1	REAL300010099844	1	41	-2.0	-97.99	331.18	4.98	-93.01
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC(CC(=O)[O-])CC2)=C1	REAL300010101366	1	46	-2.0	-102.24	362.78	4.50	-97.74
O=C([O-])CC1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1	REAL300010101907	0	40	-2.0	-95.11	331.20	4.21	-90.90
CC1=CC=C(C2=CSC([N-]C(=O)CN3CCC(CC(=O)[O-])CC3)=N2)C=C1	REAL300010102441	1	47	-2.0	-100.02	387.55	7.24	-92.78
O=C([O-])CC1CCN(CC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=CS2)CC1	REAL300010102442	1	44	-2.0	-95.47	372.56	6.63	-88.84
O=C([O-])CC1CCN(CC(=O)[N-]C2=NC(C3=CC=C(F)C(F)=C3)=CS2)CC1	REAL300010102445	1	44	-2.0	-95.72	378.85	6.68	-89.04
O=C([O-])CC1CCN(CC(=O)N[N-]C(=O)C2=CC=CS2)CC1	REAL300010102456	1	39	-2.0	-96.30	336.80	2.96	-93.34
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3CCC(CC(=O)[O-])CC3)S2)=C1	REAL300010102478	1	50	-2.0	-102.98	414.36	8.51	-94.47
O=C([O-])CC1CCN(CC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300010102509	1	47	-2.0	-101.66	399.36	7.91	-93.75
O=C([O-])CC1CCN(CC(=O)[N-]C2=NC3=CC=CC=C3S2)CC1	REAL300010102512	1	40	-2.0	-105.30	337.01	5.67	-99.63
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCC(CC(=O)[O-])CC2)=N1	REAL300010102559	1	46	-2.0	-103.95	385.64	5.23	-98.72
O=C([O-])CN(CCC(F)(F)F)CC(=O)[N-]C1=NC=CS1	REAL300010103047	1	30	-2.0	-105.75	287.40	3.00	-102.75
CC(C)(C)C1=NOC([N-]C(=O)CN(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300010103183	1	42	-2.0	-104.86	353.13	3.63	-101.23
CC1=NOC([N-]C(=O)CN(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300010103453	1	33	-2.0	-102.75	292.49	1.75	-101.00
O=C([O-])CN(CCC(F)(F)F)CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010103571	0	36	-2.0	-105.50	321.54	3.33	-102.17
O=C([O-])CN(CCC(F)(F)F)CC(=O)[N-]C1=NN=CS1	REAL300010103860	0	29	-2.0	-105.23	282.41	1.90	-103.33
O=C([O-])CN(CCC(F)(F)F)CCS(=O)(=O)CC(=O)[O-]	REAL300010103947	0	32	-2.0	-107.05	295.72	1.97	-105.08
O=C([O-])CN(CCC(F)(F)F)CC(=O)N[N-]C(=O)C1=CC=CS1	REAL300010104020	1	35	-2.0	-103.96	326.68	2.05	-101.91
O=C([O-])CN(CCC(F)(F)F)CC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300010104045	1	36	-2.0	-112.47	334.76	5.43	-107.04
CCOC(=O)CC1=CSC([N-]C(=O)CN(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300010104104	1	42	-2.0	-107.96	375.98	4.34	-103.62
O=C([O-])CN(CCC(F)(F)F)CC1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300010104155	0	33	-2.0	-96.75	292.86	5.23	-91.52
O=C([O-])CN(CCC(F)(F)F)C1CCN(CC(=O)[O-])C1=O	REAL300010104201	1	34	-2.0	-103.68	292.66	4.49	-99.19
COCC1(C(=O)[O-])CN(CC(=O)[N-]C2=NC=CS2)CCO1	REAL300010104813	1	36	-2.0	-97.70	313.15	1.18	-96.52
COCC1(C(=O)[O-])CN(CC(=O)[N-]C2=NC3=C(CCCC3)S2)CCO1	REAL300010104818	1	46	-2.0	-103.08	376.91	3.76	-99.32
CCC1=C(C)SC([N-]C(=O)CN2CCOC(COC)(C(=O)[O-])C2)=N1	REAL300010104846	1	45	-2.0	-118.20	372.71	2.69	-115.51
COCC1(C(=O)[O-])CN(C(C)C(=O)[N-]C2=NC=CS2)CCO1	REAL300010104898	1	39	-2.0	-113.12	329.54	1.94	-111.18
COCC1(C(=O)[O-])CN(C(C)C(=O)[N-]C2=NC(C)=C(C)S2)CCO1	REAL300010104900	1	45	-2.0	-111.67	368.65	2.25	-109.42
COCC1(C(=O)[O-])CN(CC(=O)[N-]C2=CC(C(C)(C)C)=NO2)CCO1	REAL300010104968	1	48	-2.0	-115.55	385.33	2.22	-113.33
COCC1(C(=O)[O-])CN(CC(=O)[N-]C2=CC(C)=NO2)CCO1	REAL300010105372	1	39	-2.0	-97.97	325.25	0.54	-97.43
COCC1(C(=O)[O-])CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CCO1	REAL300010105503	0	42	-2.0	-98.34	354.39	2.29	-96.05
COCC1(C(=O)[O-])CN(CC2=CC(Cl)=CC(C(C)=O)=C2[O-])CCO1	REAL300010105693	1	42	-2.0	-116.60	348.28	5.10	-111.50
COCC1(C(=O)[O-])CN(CC(=O)[N-]C2=NN=CS2)CCO1	REAL300010105833	0	35	-2.0	-114.66	307.11	-0.23	-114.89
COCC1(C(=O)[O-])CN(C(C)C(=O)[N-]C2=CC(C)=NO2)CCO1	REAL300010105896	1	42	-2.0	-114.46	342.06	1.36	-113.10
COCC1(C(=O)[O-])CN(CCOC2=CC=CC=C2C(=O)[O-])CCO1	REAL300010105951	0	43	-2.0	-149.62	350.19	5.89	-143.73
COCC1(C(=O)[O-])CN(CCS(=O)(=O)CC(=O)[O-])CCO1	REAL300010105953	0	38	-2.0	-109.72	324.91	0.47	-109.25
COCC1(C(=O)[O-])CN(CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300010105955	0	39	-2.0	-118.28	319.69	5.30	-112.98
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CCC1=C(C)SC([N-]C(=O)CN2CCC(OCC(=O)[O-])CC2)=N1	REAL300010107093	1	44	-2.0	-95.80	366.93	4.28	-91.52
CC(C(=O)[N-]C1=NC=CS1)N1CCC(OCC(=O)[O-])CC1	REAL300010107155	1	38	-2.0	-92.50	317.88	2.94	-89.56
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC(OCC(=O)[O-])CC2)=C1	REAL300010107229	1	47	-2.0	-99.00	379.97	3.96	-95.04
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CC1=NOC([N-]C(=O)C(C)N2CCC(OCC(=O)[O-])CC2)=C1	REAL300010108206	1	41	-2.0	-94.10	330.42	2.22	-91.88
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CC1=CC=C(C2=CSC([N-]C(=O)CN3CCC(OCC(=O)[O-])CC3)=N2)C=C1	REAL300010108346	1	48	-2.0	-97.02	404.75	6.68	-90.34
O=C([O-])COC1CCN(CC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=CS2)CC1	REAL300010108347	1	45	-2.0	-92.74	389.75	6.07	-86.67
O=C([O-])COC1CCN(CC(=O)N[N-]C(=O)C2=CC=CS2)CC1	REAL300010108360	1	40	-2.0	-100.76	353.55	2.38	-98.38
O=C([O-])COC1CCN(CC(=O)[N-]C2=NC3=CC=CC=C3S2)CC1	REAL300010108411	1	41	-2.0	-101.73	354.19	5.12	-96.61
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCC(OCC(=O)[O-])CC2)=N1	REAL300010108467	1	47	-2.0	-100.61	402.84	4.67	-95.94
O=C([O-])COC1CCN(CC2=CC([O-])=CC=C2[N+](=O)[O-])CC1	REAL300010108523	0	38	-2.0	-89.27	318.33	5.37	-83.90
O=C([O-])COC1CCN(C2CCN(CC(=O)[O-])C2=O)CC1	REAL300010108569	1	39	-2.0	-114.39	319.54	4.88	-109.51
C[C@@]1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300010109091	1	41	-2.0	-115.94	330.74	4.69	-111.25
CCC1=C(C)SC([N-]C(=O)CN2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300010109118	1	40	-2.0	-111.00	327.07	3.71	-107.29
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010109233	1	43	-2.0	-111.02	342.95	3.75	-107.27
C[C@@]1(C(=O)[O-])CCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010109567	0	37	-2.0	-111.92	308.40	3.09	-108.83
CC1=CC=C(C2=CSC([N-]C(=O)CN3CCC[C@@]3(C)C(=O)[O-])=N2)C=C1	REAL300010109948	1	44	-2.0	-110.00	367.86	6.51	-103.49
C[C@@]1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1	REAL300010109949	1	41	-2.0	-105.27	352.87	5.90	-99.37
C[C@@]1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC(C2=CC=C(F)C(F)=C2)=CS1	REAL300010109950	1	41	-2.0	-102.73	356.18	5.53	-97.20
CCCC1=CC=C(C2=CSC([N-]C(=O)CN3CCC[C@@]3(C)C(=O)[O-])=N2)C=C1	REAL300010109957	1	50	-2.0	-109.62	410.84	8.06	-101.56
C[C@@]1(C(=O)[O-])CCCN1CC(=O)N[N-]C(=O)C1=CC=CS1	REAL300010109960	1	36	-2.0	-109.42	316.65	2.19	-107.23
CC1=CC(C)=C(C2=CSC([N-]C(=O)CN3CCC[C@@]3(C)C(=O)[O-])=N2)C=C1C	REAL300010109964	1	50	-2.0	-109.68	400.54	8.21	-101.47
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3CCC[C@@]3(C)C(=O)[O-])S2)=C1	REAL300010109974	1	47	-2.0	-113.31	394.67	7.78	-105.53
CC1=C(C2=CC=C(Cl)C=C2)N=C([N-]C(=O)CN2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010109995	1	44	-2.0	-109.76	378.35	6.48	-103.28
C[C@@]1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300010109996	1	44	-2.0	-111.35	379.53	7.16	-104.19
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)CN2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010109997	1	50	-2.0	-119.41	404.43	7.62	-111.79
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CN2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300010109998	1	50	-2.0	-115.59	409.29	7.82	-107.77
C[C@@]1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300010110002	1	37	-2.0	-115.41	314.35	4.52	-110.89
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010110009	0	47	-2.0	-101.06	390.79	6.99	-94.07
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCC[C@@]2(C)C(=O)[O-])=N1	REAL300010110037	1	43	-2.0	-116.86	362.98	4.08	-112.78
C[C@]1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC2=C(CCCC2)S1	REAL300010110291	1	41	-2.0	-113.04	329.82	4.42	-108.62
CCC1=C(C)SC([N-]C(=O)CN2CCC[C@]2(C)C(=O)[O-])=N1	REAL300010110318	1	40	-2.0	-111.43	328.63	3.87	-107.56
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010110433	1	43	-2.0	-111.33	341.45	3.62	-107.71
C[C@]1(C(=O)[O-])CCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010110767	0	37	-2.0	-103.36	309.20	3.39	-99.97
CC1=CC=C(C2=CSC([N-]C(=O)CN3CCC[C@]3(C)C(=O)[O-])=N2)C=C1	REAL300010111148	1	44	-2.0	-112.63	366.22	6.32	-106.31
C[C@]1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1	REAL300010111149	1	41	-2.0	-107.65	351.23	5.71	-101.94
C[C@]1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC(C2=CC=C(F)C(F)=C2)=CS1	REAL300010111150	1	41	-2.0	-106.54	359.19	5.96	-100.58
CCCC1=CC=C(C2=CSC([N-]C(=O)CN3CCC[C@]3(C)C(=O)[O-])=N2)C=C1	REAL300010111157	1	50	-2.0	-112.21	409.21	7.86	-104.35
C[C@]1(C(=O)[O-])CCCN1CC(=O)N[N-]C(=O)C1=CC=CS1	REAL300010111160	1	36	-2.0	-106.42	314.54	2.01	-104.41
CC1=CC(C)=C(C2=CSC([N-]C(=O)CN3CCC[C@]3(C)C(=O)[O-])=N2)C=C1C	REAL300010111164	1	50	-2.0	-110.48	400.54	8.25	-102.23
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3CCC[C@]3(C)C(=O)[O-])S2)=C1	REAL300010111174	1	47	-2.0	-114.37	393.03	7.60	-106.77
CC1=C(C2=CC=C(Cl)C=C2)N=C([N-]C(=O)CN2CCC[C@]2(C)C(=O)[O-])S1	REAL300010111195	1	44	-2.0	-110.11	379.53	6.63	-103.48
C[C@]1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300010111196	1	44	-2.0	-112.83	378.04	6.99	-105.84
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)CN2CCC[C@]2(C)C(=O)[O-])S1	REAL300010111197	1	50	-2.0	-119.58	405.01	7.74	-111.84
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CN2CCC[C@]2(C)C(=O)[O-])=N1	REAL300010111198	1	50	-2.0	-116.07	407.08	7.85	-108.22
C[C@]1(C(=O)[O-])CCCN1CC(=O)[N-]C1=NC2=CC=CC=C2S1	REAL300010111202	1	37	-2.0	-112.32	313.42	4.25	-108.07
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN2CCC[C@]2(C)C(=O)[O-])S1	REAL300010111209	0	47	-2.0	-99.97	388.62	6.81	-93.16
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCC[C@]2(C)C(=O)[O-])=N1	REAL300010111237	1	43	-2.0	-115.70	365.97	4.51	-111.19
CN(CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1)C1(C(=O)[O-])CC1	REAL300010112445	0	34	-2.0	-106.45	296.12	2.74	-103.71
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN(C)C2(C(=O)[O-])CC2)S1	REAL300010112826	1	44	-2.0	-98.95	375.07	6.28	-92.67
O=C([O-])[C@H](CC1=CC=CC=C1)NCC(=O)[N-]C1=NN=CS1	REAL300010116914	1	33	-2.0	-110.56	306.54	3.26	-107.30
O=C([O-])CN1CCC(N[C@@H](CC2=CC=CC=C2)C(=O)[O-])C1=O	REAL300010117337	1	38	-2.0	-102.67	324.84	6.69	-95.98
O=C([O-])C1CN(CC2=NC(=O)C3=C(C=CS3)[N-]2)CC12CCC2	REAL300010118560	1	37	-2.0	-98.98	312.67	4.50	-94.48
O=C([O-])C1CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC12CCC2	REAL300010118763	0	41	-2.0	-101.89	339.92	4.13	-97.76
O=C([O-])CS(=O)(=O)CCN1CC(C(=O)[O-])C2(CCC2)C1	REAL300010119240	1	37	-2.0	-107.01	312.12	2.70	-104.31
O=C([O-])C1(C(F)(F)F)CCN(CC(=O)[N-]C2=NC=CS2)C1	REAL300010120220	1	31	-2.0	-90.56	289.07	2.42	-88.14
O=C(CN1CCC(C(=O)[O-])(C(F)(F)F)C1)[N-]C1=NC2=C(CCCC2)S1	REAL300010120225	1	41	-2.0	-96.32	352.83	5.00	-91.32
CCC1=C(C)SC([N-]C(=O)CN2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300010120251	1	40	-2.0	-91.22	349.61	4.03	-87.19
CC(C(=O)[N-]C1=NC=CS1)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300010120295	1	34	-2.0	-107.61	305.94	2.89	-104.72
CC1=C(C)SC([N-]C(=O)C(C)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300010120297	1	40	-2.0	-95.22	344.52	3.70	-91.52
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300010120359	1	43	-2.0	-109.82	360.60	3.44	-106.38
CC1=NOC([N-]C(=O)CN2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300010120747	1	34	-2.0	-107.80	299.99	1.57	-106.23
O=C([O-])C1(C(F)(F)F)CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010120880	0	37	-2.0	-93.04	327.63	3.13	-89.91
O=C([O-])C1(C(F)(F)F)CCN(CC(=O)[N-]C2=NN=CS2)C1	REAL300010121200	0	30	-2.0	-109.12	282.41	1.01	-108.11
CC1=NOC([N-]C(=O)C(C)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300010121263	1	37	-2.0	-92.06	321.17	2.33	-89.73
O=C([O-])CS(=O)(=O)CCN1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300010121316	0	33	-2.0	-101.76	305.02	1.98	-99.78
O=C([O-])C1(C(F)(F)F)CCN(CC(=O)N[N-]C(=O)C2=CC=CS2)C1	REAL300010121414	1	36	-2.0	-108.60	334.16	1.87	-106.73
O=C([O-])C1(C(F)(F)F)CCN(CC(=O)[N-]C2=NC3=CC=CC=C3S2)C1	REAL300010121455	1	37	-2.0	-96.38	336.44	4.84	-91.54
O=C([O-])C1(C(F)(F)F)CCN(CC2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300010121585	0	34	-2.0	-84.08	301.57	5.67	-78.41
O=C([O-])CN1CCC(N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1=O	REAL300010121647	1	35	-2.0	-100.03	303.63	4.58	-95.45
O=C([O-])C1=COC(CN2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300010121981	0	30	-2.0	-105.26	272.67	1.61	-103.65
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)NCC(=O)[N-]C1=NN=CS1	REAL300010122922	1	35	-2.0	-100.06	337.49	4.07	-95.99
O=C([O-])C1=COC(CNC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=N1	REAL300010123714	0	35	-2.0	-96.45	330.64	4.56	-91.89
CC1(C(=O)[O-])CN(CC(=O)[N-]C2=NC3=C(CCCC3)S2)CCO1	REAL300010123975	1	42	-2.0	-114.90	343.89	4.51	-110.39
CCC1=C(C)SC([N-]C(=O)CN2CCOC(C)(C(=O)[O-])C2)=N1	REAL300010124006	1	41	-2.0	-94.63	340.29	3.52	-91.11
CC1=C(C)SC([N-]C(=O)C(C)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300010124073	1	41	-2.0	-109.50	334.17	3.29	-106.21
CC(C)(C)C1=NOC([N-]C(=O)CN2CCOC(C)(C(=O)[O-])C2)=C1	REAL300010124142	1	44	-2.0	-96.01	352.93	3.17	-92.84
CC1(C(=O)[O-])CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CCO1	REAL300010124689	0	38	-2.0	-94.44	321.77	2.80	-91.64
CC(=O)C1=CC(Cl)=CC(CN2CCOC(C)(C(=O)[O-])C2)=C1[O-]	REAL300010124888	1	38	-2.0	-106.79	325.04	6.39	-100.40
CC1(C(=O)[O-])CN(CCOC2=CC=CC=C2C(=O)[O-])CCO1	REAL300010125157	0	39	-2.0	-113.31	319.97	6.93	-106.38
CC1=CC=C(C2=CSC([N-]C(=O)CN3CCOC(C)(C(=O)[O-])C3)=N2)C=C1	REAL300010125230	1	45	-2.0	-95.57	377.67	5.90	-89.67
CC1(C(=O)[O-])CN(CC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=CS2)CCO1	REAL300010125231	1	42	-2.0	-91.48	362.67	5.30	-86.18
CC1(C(=O)[O-])CN(CC(=O)[N-]C2=NC(C3=CC=C(F)C(F)=C3)=CS2)CCO1	REAL300010125234	1	42	-2.0	-92.31	368.96	5.34	-86.97
CC1(C(=O)[O-])CN(CC(=O)N[N-]C(=O)C2=CC=CS2)CCO1	REAL300010125245	1	37	-2.0	-97.52	326.46	1.60	-95.92
CC1=CC=CC(CC2=CN=C([N-]C(=O)CN3CCOC(C)(C(=O)[O-])C3)S2)=C1	REAL300010125267	1	48	-2.0	-97.52	404.48	7.18	-90.34
CC1(C(=O)[O-])CN(CC(=O)[N-]C2=NC=C(CC3=CC=C(F)C=C3)S2)CCO1	REAL300010125298	1	45	-2.0	-96.34	389.47	6.58	-89.76
CC1(C(=O)[O-])CN(CC(=O)[N-]C2=NC3=CC=CC=C3S2)CCO1	REAL300010125301	1	38	-2.0	-99.61	327.12	4.34	-95.27
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCOC(C)(C(=O)[O-])C2)=N1	REAL300010125348	1	44	-2.0	-99.72	375.76	3.89	-95.83
CC1=NN(C2CCN(CCS(=O)(=O)CC(=O)[O-])CC2)C(=O)[N-]1	REAL300010126232	1	40	-2.0	-102.56	343.17	0.18	-102.38
CC1=NN(C2CCN(C3CCN(CC(=O)[O-])C3=O)CC2)C(=O)[N-]1	REAL300010126235	1	42	-2.0	-104.03	341.46	3.01	-101.02
CC1=NN(C2CCN(CC3=NC(C(=O)[O-])=CO3)CC2)C(=O)[N-]1	REAL300010126240	1	37	-2.0	-102.70	317.72	-0.14	-102.84
COC1CC(C(=O)[O-])CN(C(C)C(=O)[N-]C2=NC=CS2)C1	REAL300010127010	1	38	-2.0	-107.38	315.21	2.00	-105.38
COC1CC(C(=O)[O-])CN(CC(=O)[N-]C2=CC(C(C)(C)C)=NO2)C1	REAL300010127084	1	47	-2.0	-95.45	376.96	2.80	-92.65
COC1CC(C(=O)[O-])CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010127645	0	41	-2.0	-94.47	345.99	2.51	-91.96
COC1CC(C(=O)[O-])CN(CC(=O)[N-]C2=NN=CS2)C1	REAL300010128000	0	34	-2.0	-94.58	298.77	0.37	-94.21
COC1CC(C(=O)[O-])CN(C(C)C(=O)[N-]C2=CC(C)=NO2)C1	REAL300010128061	1	41	-2.0	-108.70	327.74	1.30	-107.40
COC1CC(C(=O)[O-])CN(CCS(=O)(=O)CC(=O)[O-])C1	REAL300010128121	0	37	-2.0	-104.72	319.55	1.15	-103.57
COC1CC(C(=O)[O-])CN(CC(=O)[N-]C2=NC(C3=CC=C(C)C=C3)=CS2)C1	REAL300010128201	1	48	-2.0	-95.04	402.48	5.54	-89.50
COC1CC(C(=O)[O-])CN(CC(=O)[N-]C2=NC(C3=CC=C(F)C=C3)=CS2)C1	REAL300010128202	1	45	-2.0	-90.84	387.48	4.94	-85.90
COC1CC(C(=O)[O-])CN(CC(=O)N[N-]C(=O)C2=CC=CS2)C1	REAL300010128215	1	40	-2.0	-96.48	350.53	1.25	-95.23
COC1CC(C(=O)[O-])CN(CC(=O)[N-]C2=NC3=CC=CC=C3S2)C1	REAL300010128266	1	41	-2.0	-99.16	351.93	3.98	-95.18
CCOC(=O)CC1=CSC([N-]C(=O)CN2CC(OC)CC(C(=O)[O-])C2)=N1	REAL300010128322	1	47	-2.0	-99.22	400.57	3.52	-95.70
COC1CC(C(=O)[O-])CN(CC2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300010128378	1	38	-2.0	-87.82	316.68	4.58	-83.24
COC1CC(C(=O)[O-])CN(C2CCN(CC(=O)[O-])C2=O)C1	REAL300010128424	1	39	-2.0	-117.45	317.98	3.88	-113.57
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN[C@@H](C)C(=O)[O-])S1	REAL300010129561	0	40	-2.0	-93.89	353.25	5.01	-88.88
O=C([O-])CN1C(=O)NC2(CCN(CC(=O)[N-]C3=NC=CS3)CC2)C1=O	REAL300010129819	1	40	-2.0	-98.46	350.98	1.12	-97.34
CC(C(=O)[N-]C1=NC=CS1)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300010129862	1	43	-2.0	-93.15	362.08	1.37	-91.78
CC1=NOC([N-]C(=O)CN2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=C1	REAL300010130106	1	43	-2.0	-100.02	363.50	0.52	-99.50
O=C([O-])CN1C(=O)NC2(CCN(CC(=O)[N-]C3=NN=CS3)CC2)C1=O	REAL300010130344	0	39	-2.0	-100.86	345.92	-0.05	-100.91
CC1=NOC([N-]C(=O)C(C)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=C1	REAL300010130375	1	46	-2.0	-95.51	374.59	0.66	-94.85
O=C([O-])CNC(=O)CN1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300010130404	0	40	-2.0	-100.46	340.93	0.80	-99.66
CCC(C(=O)[O-])N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300010130405	1	39	-2.0	-96.52	313.70	3.52	-93.00
O=C([O-])CN1C(=O)NC2(CCN(CCS(=O)(=O)CC(=O)[O-])CC2)C1=O	REAL300010130409	0	42	-2.0	-108.65	365.16	0.58	-108.07
CN1N=C(CN2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)[N-]C1=O	REAL300010130444	0	40	-2.0	-94.98	331.82	-0.04	-95.02
O=C([O-])CN1C(=O)NC2(CCN(CC3=CC([O-])=CC=C3[N+](=O)[O-])CC2)C1=O	REAL300010130630	1	43	-2.0	-93.92	362.48	3.81	-90.11
O=C([O-])CN1CCC(N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)C1=O	REAL300010130700	0	44	-2.0	-118.36	363.42	3.09	-115.27
O=C([O-])CN1C(=O)NC2(CCN(C(C(=O)[O-])C3CC3)CC2)C1=O	REAL300010130718	1	40	-2.0	-96.36	321.41	3.82	-92.54
O=C([O-])CN1C(=O)NC2(CCN(CC3=NC(C(=O)[O-])=CO3)CC2)C1=O	REAL300010131043	0	39	-2.0	-109.49	340.75	0.43	-109.06
O=C([O-])C1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010132613	0	34	-2.0	-94.03	297.10	2.39	-91.64
CCOC(=O)C1=C(C)C(C(=O)[O-])=C(NC(=O)CN2CCC(C(=O)[O-])C2)S1	REAL300010133103	0	44	-2.0	-94.09	375.49	6.17	-87.92
CCOC(=O)CC1=CSC([N-]C(=O)CN2CCC(C(=O)[O-])C2)=N1	REAL300010133128	1	40	-2.0	-100.42	350.61	3.68	-96.74
CCC1(C(=O)[O-])CCCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010134944	0	43	-2.0	-93.47	341.98	4.77	-88.70
CCC1(C(=O)[O-])CCCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010138668	0	43	-2.0	-93.47	341.98	4.77	-88.70
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010145132	1	32	-2.0	-110.99	335.47	1.60	-109.39
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010145139	1	37	-2.0	-124.76	356.57	3.42	-121.34
CN1C=NC(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])=C1Cl	REAL300010145176	1	35	-2.0	-121.49	341.65	1.53	-119.96
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010145207	1	35	-2.0	-112.83	335.06	2.15	-110.68
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010145209	1	32	-2.0	-104.60	346.00	2.19	-102.41
CN1C=C(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])C(=O)N(C)C1=O	REAL300010145215	1	41	-2.0	-111.99	369.74	1.04	-110.95
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CCOCCOCC(=O)[O-]	REAL300010145228	1	41	-2.0	-127.64	377.29	0.53	-127.11
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010145289	1	37	-2.0	-117.94	358.43	4.14	-113.80
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010145294	1	35	-2.0	-118.03	334.95	2.15	-115.88
COC1=CC(F)=C(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])C(F)=C1	REAL300010145298	1	39	-2.0	-115.92	361.15	1.61	-114.31
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010145326	0	37	-2.0	-128.77	349.15	3.76	-125.01
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010145329	1	37	-2.0	-125.49	356.85	4.27	-121.22
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])O1	REAL300010145353	1	41	-2.0	-109.18	384.57	1.74	-107.44
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010145375	1	38	-2.0	-117.26	352.92	2.42	-114.84
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010145388	1	36	-2.0	-123.77	338.97	2.79	-120.98
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CCOCCOCC(=O)[O-]	REAL300010145454	1	39	-2.0	-113.20	360.81	2.50	-110.70
COC(=O)C1=CC=C(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])O1	REAL300010145483	1	38	-2.0	-108.86	362.70	0.82	-108.04
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010145514	1	34	-2.0	-110.84	342.14	1.47	-109.37
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010145515	1	34	-2.0	-102.02	348.60	1.21	-100.81
CCN1C=C(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010145535	1	40	-2.0	-121.59	373.48	2.91	-118.68
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010145536	0	35	-2.0	-101.59	350.40	2.51	-99.08
COC(=O)C1=COC(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])=C1	REAL300010145541	1	38	-2.0	-110.90	363.04	0.77	-110.13
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010145546	1	35	-2.0	-104.93	353.18	3.40	-101.53
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010145550	0	35	-2.0	-110.27	344.24	2.44	-107.83
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010145567	1	35	-2.0	-113.11	345.39	2.61	-110.50
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010145569	1	35	-2.0	-106.79	358.33	3.16	-103.63
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010145570	1	32	-2.0	-108.73	327.54	0.75	-107.98
COC(=O)C1=C(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])SC=N1	REAL300010145616	0	37	-2.0	-113.86	363.34	-0.22	-114.08
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010145647	1	32	-2.0	-111.98	331.14	1.49	-110.49
CC1=C(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])C(N)=NO1	REAL300010145655	1	36	-2.0	-101.99	329.59	-0.57	-102.56
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300010145662	1	32	-2.0	-114.69	321.44	1.09	-113.60
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCOCCOCC(=O)[O-])S1	REAL300010145680	1	38	-2.0	-107.60	366.83	-1.21	-108.81
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010145684	0	35	-2.0	-115.80	345.53	2.88	-112.92
O=C([O-])COCCOCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010145698	0	39	-2.0	-99.17	362.38	2.03	-97.14
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010145722	1	38	-2.0	-110.61	359.33	2.49	-108.12
N#CC1=CC=C(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])O1	REAL300010145791	1	33	-2.0	-106.97	327.09	0.56	-106.41
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010145803	1	34	-2.0	-118.33	335.68	0.81	-117.52
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])=C1F	REAL300010145814	1	41	-2.0	-116.60	387.97	2.76	-113.84
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])O1	REAL300010145822	1	41	-2.0	-109.78	380.60	1.40	-108.38
COC(=O)C1=C(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])OC=C1	REAL300010145831	0	38	-2.0	-120.42	356.54	1.41	-119.01
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])=N1	REAL300010145833	0	37	-2.0	-125.68	351.51	0.93	-124.75
CC1=NSC(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])=C1	REAL300010145838	1	34	-2.0	-107.45	331.65	0.32	-107.13
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010145840	1	35	-2.0	-111.24	338.83	-0.45	-111.69
CS(C)(=O)=NS(=O)(=O)[N-]CCOCCOCC(=O)[O-]	REAL300010145841	1	35	-2.0	-139.08	328.51	-2.02	-141.10
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010145863	1	32	-2.0	-118.21	323.62	-0.04	-118.25
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010145865	1	34	-2.0	-105.75	348.20	1.23	-104.52
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010145866	1	34	-2.0	-110.56	340.53	0.63	-109.93
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010145867	1	34	-2.0	-109.96	330.08	0.14	-109.82
O=C([O-])COCCOCC[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300010145870	0	39	-2.0	-136.71	354.34	-0.69	-137.40
CCS(=O)(CC)=NS(=O)(=O)[N-]CCOCCOCC(=O)[O-]	REAL300010145873	0	41	-2.0	-135.50	367.56	-0.37	-135.87
CN1N=CC(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])=C1C(F)(F)F	REAL300010145883	1	38	-2.0	-107.58	356.32	0.66	-106.92
O=C([O-])COCCOCCNS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010145893	0	36	-2.0	-100.54	330.05	1.09	-99.45
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCOCCOCC(=O)[O-]	REAL300010145895	1	38	-2.0	-127.56	355.44	-0.39	-127.95
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CCOCCOCC(=O)[O-]	REAL300010145901	0	44	-2.0	-134.68	386.72	0.06	-134.62
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=NS1	REAL300010145912	1	31	-2.0	-106.89	309.90	-0.28	-107.17
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010145943	0	32	-2.0	-111.05	324.93	0.70	-110.35
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCOCCOCC(=O)[O-]	REAL300010145952	1	39	-2.0	-115.62	359.59	2.70	-112.92
CC1=CSC(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])=N1	REAL300010145961	1	34	-2.0	-112.69	331.90	-0.46	-113.15
CN1N=NN=C1S(=O)(=O)[N-]CCOCCOCC(=O)[O-]	REAL300010145965	1	33	-2.0	-104.91	312.33	-1.92	-106.83
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010145981	1	38	-2.0	-120.37	352.59	1.26	-119.11
O=C([O-])COCCOCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010145984	0	36	-2.0	-98.49	356.39	2.08	-96.41
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010146017	1	32	-2.0	-108.73	327.54	0.75	-107.98
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010146045	1	35	-2.0	-107.80	347.01	1.24	-106.56
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010146065	1	37	-2.0	-109.29	364.17	1.30	-107.99
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300010146066	1	32	-2.0	-108.45	322.91	0.63	-107.82
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010146068	1	37	-2.0	-109.29	364.17	1.30	-107.99
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010146071	1	35	-2.0	-109.71	350.70	2.63	-107.08
CC1=NC(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010146083	1	44	-2.0	-125.99	399.21	1.00	-124.99
O=C([O-])COCCOCCNS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010146089	0	36	-2.0	-100.54	330.05	1.09	-99.45
CCN1N=CC(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])=N1	REAL300010146102	1	37	-2.0	-111.97	344.01	-1.13	-113.10
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCCOCCOCC(=O)[O-])=C1	REAL300010146115	1	41	-2.0	-106.08	379.93	0.14	-105.94
CCOC(=O)C1=CC(S(=O)(=O)NCCOCCOCC(=O)[O-])=N[N-]1	REAL300010146115	1	41	-2.0	-106.12	379.97	0.15	-105.97
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])=C1	REAL300010146117	0	38	-2.0	-105.43	377.72	1.30	-104.13
COC1=CC(F)=C(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])C(F)=C1	REAL300010146122	1	39	-2.0	-115.92	361.15	1.61	-114.31
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010146127	1	32	-2.0	-102.02	348.24	2.13	-99.89
N#CC1=C(S(=O)(=O)[N-]CCOCCOCC(=O)[O-])OC=C1	REAL300010146134	1	33	-2.0	-111.80	325.84	0.48	-111.32
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCOCCOCC(=O)[O-]	REAL300010146135	1	38	-2.0	-127.56	355.44	-0.39	-127.95
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010146163	0	33	-2.0	-112.08	336.17	-0.15	-112.23
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010146166	1	34	-2.0	-118.99	332.02	0.69	-118.30
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCOCCOCC(=O)[O-])S1	REAL300010146172	1	44	-2.0	-108.15	403.80	0.35	-107.80
CC1=CC=C([O-])C(S(=O)(=O)NCCOCCOCC(=O)[O-])=C1	REAL300010146184	1	39	-2.0	-106.77	345.05	1.70	-105.07
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010146203	1	37	-2.0	-120.10	348.43	1.33	-118.77
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCOCCOCC(=O)[O-]	REAL300010146223	1	41	-2.0	-128.25	375.75	3.64	-124.61
O=C([O-])COCCOCC[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010146240	0	31	-2.0	-102.96	327.09	0.45	-102.51
O=C([O-])CCC1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1	REAL300010256428	0	43	-2.0	-92.35	353.61	4.99	-87.36
O=C([O-])C1CCCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010257080	0	37	-2.0	-116.68	305.14	3.71	-112.97
O=C([O-])C1CCCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010257564	0	37	-2.0	-116.68	305.14	3.71	-112.97
O=C([O-])C1CCCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010258048	0	37	-2.0	-116.68	305.14	3.71	-112.97
O=C([O-])[C@H]1CCCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010258532	0	37	-2.0	-108.77	310.66	3.71	-105.06
O=C([O-])C1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1	REAL300010259648	0	37	-2.0	-95.67	313.96	3.58	-92.09
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CC(C1=CC(Cl)=CC=C1Cl)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010529803	1	37	-2.0	-125.04	322.08	8.91	-116.13
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CC(C1=CC=C(Cl)C(Cl)=C1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010529820	1	37	-2.0	-123.76	323.89	8.74	-115.02
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CC(=O)C1=CC(F)=CC(C[NH+]2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1[O-]	REAL300010529845	1	40	-2.0	-145.87	325.06	9.19	-136.68
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CC(C)COC(C)C1=NOC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010529878	0	48	-2.0	-123.55	386.03	4.44	-119.11
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COC1=CC=C([N+](=O)[O-])C=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010529909	1	40	-2.0	-127.32	327.59	7.01	-120.31
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC3=CC([N+](=O)[O-])=CC=C3N2)CC1	REAL300010529910	0	39	-2.0	-124.46	331.63	6.22	-118.24
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC=C(C3=CC=CC=C3)O2)CC1	REAL300010529911	1	40	-2.0	-128.87	332.08	5.67	-123.20
CN(C)S(=O)(=O)C1=CC=CC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300010529912	1	45	-2.0	-135.28	371.06	4.79	-130.49
CCOC1=CC=C(C2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)C=C1	REAL300010529918	1	47	-2.0	-126.91	392.37	7.86	-119.05
COC1=CC=C(C2=NOC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)C=C1OC	REAL300010529920	1	47	-2.0	-125.63	386.65	4.74	-120.89
CC(C1=CN(C2=CC=CC=C2)N=N1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010529941	1	43	-2.0	-136.12	345.15	7.41	-128.71
CC1=CC(C)=CC(OCC2=NOC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)=C1	REAL300010529942	0	49	-2.0	-126.70	401.22	6.61	-120.09
CCSC(C)C1=NOC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010529943	0	42	-2.0	-123.52	352.86	4.86	-118.66
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN3CCCCC3=C2)CC1	REAL300010529948	1	41	-2.0	-129.58	321.13	6.15	-123.43
CC(C1=NN=NN1C1CCCCC1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010529951	0	48	-2.0	-127.16	366.89	6.32	-120.84
CCCN1C(C)=NN=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010529954	0	42	-2.0	-131.55	337.22	7.37	-124.18
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=C(OC3=CC=CC=C3)N=N2)CC1	REAL300010529955	1	43	-2.0	-127.35	357.71	5.75	-121.60
CC(C)CN1N=CN=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010529959	0	42	-2.0	-121.85	328.37	7.19	-114.66
CC1=NC(C(F)(F)F)=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300010529960	1	36	-2.0	-124.05	319.91	6.07	-117.98
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN=C(C3CC3)N2C2CC2)CC1	REAL300010529962	0	44	-2.0	-132.87	354.19	8.58	-124.29
CC(C)(C)C1=CC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300010529964	0	42	-2.0	-124.68	334.72	6.85	-117.83
CN(C)S(=O)(=O)C1=CC=CC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300010529967	1	45	-2.0	-135.28	371.06	4.79	-130.49
CN1C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN=C1C1=CC=C(Cl)C=C1	REAL300010529973	0	43	-2.0	-133.31	363.56	8.88	-124.43
CN1C=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)F)=N1	REAL300010529974	1	37	-2.0	-126.29	312.25	5.27	-121.02
CN1C2=CC(Br)=CC=C2N=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010529975	1	40	-2.0	-123.19	338.79	7.59	-115.60
O=C([O-])C1(C(=O)[O-])CCN(CCS(=O)(=O)C2=CC=CC=C2)CC1	REAL300010529995	0	40	-2.0	-129.54	336.03	4.55	-124.99
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C3=CC=C(F)C=C3)=N2)CC1	REAL300010530001	1	40	-2.0	-125.15	347.49	7.68	-117.47
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C3=CC=CC=N3)=N2)CC1	REAL300010530003	1	39	-2.0	-132.51	336.50	5.75	-126.76
COC1=CC=C(C2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)C=C1	REAL300010530007	1	44	-2.0	-127.08	370.52	6.93	-120.15
CC(C)C1=CC=C(C2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)C=C1	REAL300010530008	1	49	-2.0	-127.10	401.24	9.53	-117.57
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300010530009	1	39	-2.0	-127.15	327.83	5.83	-121.32
O=C([O-])C1(C(=O)[O-])CCN(CC2=COC(C3=CC=CC=C3)=N2)CC1	REAL300010530012	1	40	-2.0	-126.49	333.14	5.28	-121.21
O=C([O-])C1(C(=O)[O-])CCN(CC2=CN3C=C(Cl)C=CC3=N2)CC1	REAL300010530013	1	37	-2.0	-127.57	320.19	7.78	-119.79
CC1=CC=CC=C1C1=NOC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530014	1	42	-2.0	-125.00	343.33	6.39	-118.61
O=C([O-])C1(C(=O)[O-])CCN(CC2=COC(C3=CC=CS3)=N2)CC1	REAL300010530016	1	37	-2.0	-127.60	324.20	4.20	-123.40
CN1N=C(C2CC2)N=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530023	0	40	-2.0	-129.33	325.51	6.52	-122.81
CC(C1=NOC(C2=CC=CC=C2)=N1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530024	0	42	-2.0	-130.04	345.31	5.52	-124.52
CC(C1=NN=NN1C1CC1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530025	0	39	-2.0	-128.04	315.22	4.53	-123.51
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN=CN2C2=CC=CC=C2)CC1	REAL300010530028	0	40	-2.0	-129.78	330.44	9.14	-120.64
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN=C3CCCCN23)CC1	REAL300010530029	0	40	-2.0	-125.75	308.79	6.62	-119.13
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN(CC(F)(F)F)N=N2)CC1	REAL300010530030	0	35	-2.0	-125.95	309.88	3.83	-122.12
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN=C3CCCCCN23)CC1	REAL300010530031	0	43	-2.0	-126.24	322.24	6.89	-119.35
CC(C)(C)N1N=CN=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530033	0	42	-2.0	-126.55	323.12	7.64	-118.91
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC=NN2CCF)CC1	REAL300010530036	0	36	-2.0	-124.11	302.06	6.13	-117.98
COC1=CC=C(C2=NOC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)N=N1	REAL300010530042	1	41	-2.0	-126.27	350.62	0.80	-125.47
CC(C)(C)C1=NN=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)N1	REAL300010530045	0	42	-2.0	-124.48	334.09	5.78	-118.70
CC(C)(C)C1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1	REAL300010530045	1	42	-2.0	-130.18	334.17	5.52	-124.66
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN(CCC3=CC=CC=C3)C=C2)CC1	REAL300010530049	1	47	-2.0	-129.45	382.35	9.17	-120.28
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(CCC3=CC=CC=C3)=N2)CC1	REAL300010530052	1	46	-2.0	-126.70	385.74	9.10	-117.60
CS(=O)(=O)C1=CC=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300010530053	0	37	-2.0	-134.37	320.09	2.55	-131.82
CC1=CC=C(C2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)O1	REAL300010530062	1	40	-2.0	-129.84	345.51	6.48	-123.36
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C3=CC=CS3)=N2)CC1	REAL300010530065	1	37	-2.0	-127.35	332.71	6.65	-120.70
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3=CC=C(F)C=C3)=NO2)CC1	REAL300010530066	1	39	-2.0	-121.93	334.37	5.58	-116.35
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC3=C(C=C2Br)OCO3)CC1	REAL300010530074	1	37	-2.0	-123.04	320.75	6.12	-116.92
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC=C(C3=CC=C(Cl)C=C3)O2)CC1	REAL300010530075	1	40	-2.0	-126.85	348.81	6.18	-120.67
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3=CC=CS3)=NO2)CC1	REAL300010530076	0	36	-2.0	-124.44	318.90	4.52	-119.92
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC=C(C3=CC=CC(Cl)=C3)O2)CC1	REAL300010530078	1	40	-2.0	-128.82	348.82	6.18	-122.64
CCC1=CC=C(C2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)C=C1	REAL300010530079	1	46	-2.0	-127.15	383.97	9.07	-118.08
COC1=CC=C(C2=NOC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)C=C1	REAL300010530080	1	43	-2.0	-124.47	357.42	4.83	-119.64
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC3=CC=CC=C3O2)CC1	REAL300010530081	1	36	-2.0	-128.82	298.29	3.73	-125.09
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3=CC=C(Cl)C=C3)=NO2)CC1	REAL300010530082	1	39	-2.0	-121.88	344.70	6.04	-115.84
CC(C)C1=CC=C(C2=NOC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)C=C1	REAL300010530083	1	48	-2.0	-124.27	388.13	7.44	-116.83
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC(Cl)=C3OCCOC3=C2)CC1	REAL300010530086	1	40	-2.0	-127.13	335.93	6.50	-120.63
CN1C(Cl)=CN=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530087	0	34	-2.0	-127.11	293.01	5.61	-121.50
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC(Cl)=C3OCCCOC3=C2)CC1	REAL300010530092	1	43	-2.0	-127.29	354.33	7.29	-120.00
CCCCN1N=NN=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530094	0	41	-2.0	-125.79	332.59	5.26	-120.53
CCC1=CC=C(C2=NOC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)C=C1	REAL300010530095	1	45	-2.0	-126.79	370.76	7.25	-119.54
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3=CC=CC(Cl)=C3)=NO2)CC1	REAL300010530096	1	39	-2.0	-123.54	344.73	6.03	-117.51
COC1=CC=C(C2=NOC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)C(OC)=C1	REAL300010530097	1	47	-2.0	-128.11	384.70	4.42	-123.69
COC1=CC=C(Br)C=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530102	1	38	-2.0	-127.45	320.68	6.96	-120.49
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC(C3=CC=CC=C3)=C2)CC1	REAL300010530103	1	40	-2.0	-125.63	331.58	7.89	-117.74
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC(C3=CC=CO3)=C2)CC1	REAL300010530104	1	37	-2.0	-126.51	314.34	6.03	-120.48
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC(C3=CC=CS3)=C2)CC1	REAL300010530107	1	37	-2.0	-125.58	323.56	7.02	-118.56
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3=CSC=C3)=NO2)CC1	REAL300010530109	1	36	-2.0	-124.16	318.20	4.41	-119.75
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(COC3=CC=C(F)C=C3)=N2)CC1	REAL300010530110	0	44	-2.0	-128.23	379.13	7.20	-121.03
CC(C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530112	1	42	-2.0	-127.57	345.26	6.00	-121.57
O=C([O-])C1(C(=O)[O-])CCN(CC2=COC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300010530114	1	40	-2.0	-125.01	349.90	5.79	-119.22
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC(C3=CC=CC=C3)=N2)CC1	REAL300010530116	0	39	-2.0	-128.66	327.99	5.55	-123.11
CC1=CC=C(OCC2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)C=C1	REAL300010530118	0	47	-2.0	-129.74	394.12	7.81	-121.93
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC(Cl)=C3OCOC3=C2)CC1	REAL300010530119	1	37	-2.0	-124.01	317.46	5.82	-118.19
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN=NN2CC2=CC=CC=C2)CC1	REAL300010530122	0	42	-2.0	-122.20	337.92	6.25	-115.95
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=C(F)C=C2Br)CC1	REAL300010530123	1	34	-2.0	-121.87	301.76	7.58	-114.29
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3=CC=CN=C3)=NO2)CC1	REAL300010530125	1	38	-2.0	-124.47	322.98	3.73	-120.74
CC1=CC=CC=C1C1=NOC(C(C)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530126	1	45	-2.0	-127.73	360.63	6.87	-120.86
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3=CC=CC(C(F)(F)F)=C3)=NO2)CC1	REAL300010530127	1	42	-2.0	-124.13	367.04	6.53	-117.60
O=C([O-])C1(C(=O)[O-])CCN(CC2=CN3C=CC=NC3=N2)CC1	REAL300010530128	1	36	-2.0	-136.12	298.30	7.83	-128.29
CC(C1=NC(C2=CC=CN=C2)=NO1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530129	1	41	-2.0	-126.76	340.25	4.21	-122.55
CC1=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C(C2=CC=CS2)O1	REAL300010530131	1	40	-2.0	-127.37	338.39	4.70	-122.67
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC3=CC=CC=C3N2C(F)F)CC1	REAL300010530133	0	40	-2.0	-128.15	331.38	7.18	-120.97
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3=CC=CC=N3)=NO2)CC1	REAL300010530134	1	38	-2.0	-128.42	323.33	3.64	-124.78
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(COC3=CC=C(F)C=C3)=NO2)CC1	REAL300010530135	0	43	-2.0	-122.47	364.95	5.04	-117.43
CC1=CC=C(C2=NOC(C(C)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)C=C1F	REAL300010530136	1	45	-2.0	-126.25	371.98	6.71	-119.54
CC(C)CC1=NOC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530138	0	41	-2.0	-123.74	329.80	4.59	-119.15
CCCCC1=NOC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530139	0	41	-2.0	-121.62	333.16	4.62	-117.00
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C3=CC=CO3)=N2)CC1	REAL300010530140	1	37	-2.0	-129.31	323.60	5.66	-123.65
CCCC1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300010530141	1	39	-2.0	-125.43	325.83	6.08	-119.35
CC(C)(C)C1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300010530142	0	41	-2.0	-127.65	330.38	4.18	-123.47
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC(C3=CSC=C3)=N2)CC1	REAL300010530144	0	36	-2.0	-128.22	318.46	4.28	-123.94
CC(C)(C)C1=NOC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530145	0	41	-2.0	-122.86	330.37	4.07	-118.79
CC1=CC=C(C2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CO2)C=C1	REAL300010530148	1	43	-2.0	-126.30	354.51	5.96	-120.34
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3=CC=CO3)=NO2)CC1	REAL300010530149	0	36	-2.0	-125.71	309.47	3.54	-122.17
CC(C)C1=NOC(C(C)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530150	0	41	-2.0	-124.91	328.24	4.01	-120.90
CC(C1=NC(C2CC2)=NO1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530151	0	39	-2.0	-125.13	317.35	4.45	-120.68
O=C([O-])C1(C(=O)[O-])CCN(CC2=COC(C3=CC=CC(F)=C3)=N2)CC1	REAL300010530152	1	40	-2.0	-124.75	339.55	5.35	-119.40
O=C([O-])C1(C(=O)[O-])CCN(CC2=COC(C3=CC=CC(Cl)=C3)=N2)CC1	REAL300010530153	1	40	-2.0	-124.54	349.87	5.79	-118.75
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=C(I)C=C2)CC1	REAL300010530160	1	34	-2.0	-122.82	303.25	7.91	-114.91
COC1=CC=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1OC	REAL300010530162	1	41	-2.0	-128.45	331.25	5.17	-123.28
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC(Cl)=CC=C2Cl)CC1	REAL300010530163	1	34	-2.0	-123.47	308.25	7.84	-115.63
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CC(C1=NC(C2=CC=CS2)=NO1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530178	1	39	-2.0	-127.13	336.19	5.02	-122.11
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O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(CC3=CC=CC=C3)=NO2)CC1	REAL300010530186	0	42	-2.0	-122.87	350.04	6.07	-116.80
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CCOC1=CC=C(C2=NOC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)C=C1	REAL300010530190	1	46	-2.0	-124.18	379.27	5.76	-118.42
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(CC3=CC=C(Cl)C=C3)=N2)CC1	REAL300010530192	0	43	-2.0	-127.40	380.97	8.84	-118.56
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(CC3=CC=CC=C3)=N2)CC1	REAL300010530193	0	43	-2.0	-126.96	364.24	8.32	-118.64
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3=CC=CC([N+](=O)[O-])=C3)=NO2)CC1	REAL300010530210	1	41	-2.0	-126.78	356.19	6.19	-120.59
O=C([O-])C1(C(=O)[O-])CCN(CCS(=O)(=O)CC2=CC=CC=C2)CC1	REAL300010530211	1	43	-2.0	-134.40	361.51	5.34	-129.06
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(NC3=CC=CC=C3)=N2)CC1	REAL300010530213	0	42	-2.0	-127.74	351.86	7.16	-120.58
CC1=CC=C(NC2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)C=C1	REAL300010530214	0	45	-2.0	-127.72	373.27	7.84	-119.88
CC1=CC=CC=C1NC1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300010530215	0	45	-2.0	-127.40	369.97	7.89	-119.51
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300010530216	1	40	-2.0	-125.08	357.81	8.13	-116.95
CCOC1=CC=C(C2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)C=C1	REAL300010530217	1	47	-2.0	-126.91	392.37	7.86	-119.05
COC1=CC=CC=C1C1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300010530218	1	44	-2.0	-130.43	367.41	7.16	-123.27
COC1=CC=CC(C2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)=C1	REAL300010530219	1	44	-2.0	-127.92	370.56	6.91	-121.01
CC1=CN2C=C(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C2C=C1	REAL300010530220	1	40	-2.0	-131.28	324.69	7.93	-123.35
O=C([O-])C1(C(=O)[O-])CCN(CC2=CN3C=CC=CC3=N2)CC1	REAL300010530221	1	37	-2.0	-131.95	303.47	7.27	-124.68
CC(C1=NC2=CC=CC=C2N1C(F)F)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530222	0	43	-2.0	-127.73	347.99	7.32	-120.41
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC=CN2C(F)F)CC1	REAL300010530223	0	34	-2.0	-133.11	290.09	5.42	-127.69
CC(C)(C)C1=CN=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300010530225	0	42	-2.0	-127.52	335.40	4.65	-122.87
CC(C1=NC(C2=CC=C(Cl)C=C2)=NO1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530232	1	42	-2.0	-124.33	362.00	6.52	-117.81
CC(C1=NN=NN1C1=CC=CC=C1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530234	0	42	-2.0	-128.84	337.36	5.98	-122.86
O=C([O-])C1(C(=O)[O-])CCN(CC2=CN=CC(Br)=C2)CC1	REAL300010530237	0	33	-2.0	-122.95	291.72	5.62	-117.33
CC(C)C1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300010530239	0	39	-2.0	-125.48	324.05	5.86	-119.62
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C3CCCCC3)=N2)CC1	REAL300010530240	0	46	-2.0	-125.42	365.67	7.77	-117.65
CC1=CC=C(C2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)O1	REAL300010530241	1	40	-2.0	-129.84	345.51	6.48	-123.36
CCCCC1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300010530243	1	42	-2.0	-125.72	347.33	6.86	-118.86
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN(C3=CC=CC=C3)N=C2)CC1	REAL300010530244	0	40	-2.0	-128.15	331.01	6.55	-121.60
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=C(S(=O)(=O)N3CCCC3)O2)CC1	REAL300010530245	0	46	-2.0	-130.10	381.15	4.16	-125.94
CN(C)S(=O)(=O)C1=CC=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300010530246	0	42	-2.0	-129.70	354.85	3.00	-126.70
CN1C2=CC=C(Cl)C=C2N=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530248	1	40	-2.0	-131.51	340.08	7.76	-123.75
CN1C=C(C2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)C=N1	REAL300010530249	1	40	-2.0	-130.56	345.74	5.41	-125.15
CCS(=O)(=O)C1=CC=C2OC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NC2=C1	REAL300010530253	1	45	-2.0	-130.62	380.34	2.15	-128.47
O=C([O-])C1(C(=O)[O-])CCN(CCNS(=O)(=O)C2=CC=CC=C2)CC1	REAL300010530254	1	42	-2.0	-127.54	352.67	3.23	-124.31
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN=NN2C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300010530257	0	42	-2.0	-124.57	360.99	7.87	-116.70
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC(Br)=C3OCOC3=C2)CC1	REAL300010530258	1	37	-2.0	-123.96	322.02	5.92	-118.04
CC(C1=CC=C(Cl)C(Cl)=C1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530265	1	37	-2.0	-123.76	323.89	8.74	-115.02
CC(C1=CC=C(Cl)C=C1Cl)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530269	1	37	-2.0	-122.68	322.08	8.91	-113.77
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN=NN2C2=CC=C(OC(F)F)C=C2)CC1	REAL300010530273	0	43	-2.0	-127.39	361.51	6.45	-120.94
CC1=CC=CC(C)=C1N1N=NN=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530274	0	45	-2.0	-127.27	366.91	7.81	-119.46
CCCS(=O)(=O)CCN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530281	1	39	-2.0	-132.55	323.11	3.09	-129.46
CCCCC1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300010530282	0	41	-2.0	-126.21	332.99	4.79	-121.42
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=C(Cl)C=C2Cl)CC1	REAL300010530288	1	34	-2.0	-122.01	308.25	7.84	-114.17
O=C([O-])C1(C(=O)[O-])CCN(CCCS(=O)(=O)C2=CC=C(F)C=C2)CC1	REAL300010530289	1	43	-2.0	-131.64	365.08	5.52	-126.12
CC(C)CCC1=NOC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530291	0	44	-2.0	-121.49	350.72	5.13	-116.36
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN(C3=CC=CC=C3)C=C2)CC1	REAL300010530299	1	41	-2.0	-130.19	335.42	7.92	-122.27
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN(C3=CC=C(F)C=C3)C3=C2CCC3)CC1	REAL300010530300	1	48	-2.0	-132.20	389.41	9.92	-122.28
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN(C3=CC=CC=C3)C3=C2CCC3)CC1	REAL300010530301	1	48	-2.0	-135.45	382.99	9.85	-125.60
CC(C)CCC1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300010530302	1	45	-2.0	-125.88	364.90	7.37	-118.51
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN(C3=CC=CC(F)=C3)C=C2)CC1	REAL300010530308	1	41	-2.0	-131.75	341.83	7.99	-123.76
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C3=CSC=C3)=N2)CC1	REAL300010530311	1	37	-2.0	-126.08	332.12	6.55	-119.53
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C3CCCC3)=N2)CC1	REAL300010530313	0	43	-2.0	-125.53	346.72	7.11	-118.42
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=C(Br)C=C2Cl)CC1	REAL300010530314	0	34	-2.0	-121.94	312.82	7.95	-113.99
COCCS(=O)(=O)CCCN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530316	1	43	-2.0	-134.27	355.64	2.01	-132.26
O=C([O-])C1(C(=O)[O-])CCN(CC2=CN3C=C(Cl)C=C(Cl)C3=N2)CC1	REAL300010530319	0	37	-2.0	-126.83	336.96	8.24	-118.59
CN1C2=CC=CC=C2N=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530322	1	40	-2.0	-133.12	324.13	7.26	-125.86
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1	REAL300010530325	0	39	-3.0	-189.43	334.46	3.79	-185.64
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC3=CC=CC=C3S(=O)(=O)N2)CC1	REAL300010530325	1	40	-2.0	-132.54	337.88	3.70	-128.84
COC1=CC=CC(S(=O)(=O)CCN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300010530327	0	44	-2.0	-133.13	366.69	3.97	-129.16
CCN1C2=CC=CC(F)=C2N=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530329	0	43	-2.0	-137.57	351.61	8.21	-129.36
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C3=CC=C4OCOC4=C3)=N2)CC1	REAL300010530330	1	43	-2.0	-126.88	367.13	6.29	-120.59
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3=CC=C4OCOC4=C3)=NO2)CC1	REAL300010530332	1	42	-2.0	-125.85	353.90	4.49	-121.36
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=CC3=C2OC(F)(F)O3)CC1	REAL300010530339	1	37	-2.0	-134.79	311.49	5.93	-128.86
CC(C)(C)N1N=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530341	0	41	-2.0	-127.86	330.32	4.60	-123.26
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=C(OCC(F)(F)F)N=N2)CC1	REAL300010530342	1	39	-2.0	-123.40	339.65	3.53	-119.87
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC=CN2CC(F)(F)F)CC1	REAL300010530346	0	37	-2.0	-124.09	307.40	6.07	-118.02
CC(C)OC1=CC=C([N+](=O)[O-])C=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530347	1	46	-2.0	-130.07	367.36	8.56	-121.51
COCCC1=NOC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530353	0	39	-2.0	-121.68	323.83	2.14	-119.54
CC1=CC=CC2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN21	REAL300010530357	1	40	-2.0	-132.10	323.43	7.74	-124.36
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC3=C2CCCC3)CC1	REAL300010530359	1	40	-2.0	-130.39	315.37	6.97	-123.42
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C3=COC=C3)=N2)CC1	REAL300010530360	1	37	-2.0	-126.87	324.20	5.63	-121.24
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC=C(C3=CC=CS3)O2)CC1	REAL300010530362	1	37	-2.0	-128.97	322.82	4.35	-124.62
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC3=CC([N+](=O)[O-])=CC=C3O2)CC1	REAL300010530369	1	38	-2.0	-122.88	326.41	4.40	-118.48
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=CC(Cl)=C2Cl)CC1	REAL300010530371	1	34	-2.0	-122.56	306.20	7.71	-114.85
CS(=O)(=O)C1=CC=CC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300010530374	1	40	-2.0	-139.64	335.37	4.16	-135.48
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=C(Cl)C=C2Br)CC1	REAL300010530386	1	34	-2.0	-121.86	312.09	8.02	-113.84
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN=C(C3CC3)S2)CC1	REAL300010530391	0	36	-2.0	-130.47	309.41	5.38	-125.09
COC1=CC=C(Br)C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300010530405	1	38	-2.0	-126.67	324.84	6.81	-119.86
COC1=CC=C(Br)C=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530409	1	38	-2.0	-127.45	320.68	6.96	-120.49
CCOC(C)C1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300010530418	0	43	-2.0	-125.76	358.38	5.28	-120.48
CCOC(C)C1=NOC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530419	0	42	-2.0	-123.59	344.42	2.94	-120.65
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(CCC3=CC=CC=C3)=NO2)CC1	REAL300010530420	0	45	-2.0	-122.50	371.56	6.86	-115.64
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(CC3=CC=C(F)C=C3)=NO2)CC1	REAL300010530422	0	42	-2.0	-125.67	356.32	6.46	-119.21
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN(C3CCCC3)C=C2)CC1	REAL300010530424	1	44	-2.0	-127.96	342.26	7.16	-120.80
CCC(CC)N1C=CC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530425	1	46	-2.0	-128.94	358.52	7.41	-121.53
CC(C1=NC(CC2=CC=CC=C2)=NO1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530428	0	45	-2.0	-125.55	367.34	6.56	-118.99
CC(C1=NC(CC2=CC=C(Cl)C=C2)=NO1)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530429	0	45	-2.0	-125.33	384.08	7.08	-118.25
CC(C)C1=NN=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300010530432	0	38	-2.0	-129.69	320.41	5.12	-124.57
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC3=CC=CN=C3S2)CC1	REAL300010530435	1	35	-2.0	-130.10	303.87	4.67	-125.43
CC1=CC=C(C2=CN=C(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)O2)C=C1	REAL300010530443	1	43	-2.0	-128.91	353.48	6.34	-122.57
COC1=CC=CC=C1C1=CN=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300010530444	1	44	-2.0	-131.73	362.39	5.10	-126.63
CC1=CC=CC=C1C1=CN=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300010530445	1	43	-2.0	-128.65	350.92	6.19	-122.46
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC(Br)=CC=C2Cl)CC1	REAL300010530450	1	34	-2.0	-123.37	312.82	7.95	-115.42
CS(=O)(=O)CC1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300010530451	0	39	-2.0	-142.61	346.47	2.06	-140.55
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(CC(F)(F)F)=NO2)CC1	REAL300010530456	0	35	-2.0	-123.41	309.02	3.65	-119.76
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC3=CC=CC=C3S2)CC1	REAL300010530468	1	36	-2.0	-130.83	308.49	6.51	-124.32
O=C([O-])C1(C(=O)[O-])CCN(CCS(=O)(=O)C2=CC=CC=C2)CC1	REAL300010530469	0	40	-2.0	-129.54	336.03	4.55	-124.99
CC(C)(C)C1=CC=C(S(=O)(=O)CCN2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300010530470	0	52	-2.0	-130.24	413.40	6.99	-123.25
O=C([O-])C1(C(=O)[O-])CCN(CCS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300010530471	0	42	-2.0	-129.96	365.41	5.34	-124.62
CS(=O)(=O)C1=CC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CO1	REAL300010530480	0	37	-2.0	-137.09	320.15	2.39	-134.70
CC1=CC(Br)=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300010530481	1	37	-2.0	-123.40	331.10	8.69	-114.71
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=C(F)C(Cl)=C2)CC1	REAL300010530482	1	34	-2.0	-124.14	298.06	7.36	-116.78
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=CN=C2C(F)(F)F)CC1	REAL300010530483	1	36	-2.0	-124.19	302.71	7.21	-116.98
O=C([O-])C1(C(=O)[O-])CCN(C(F)(F)COS(=O)(=O)C(F)(F)F)CC1	REAL300010530485	0	34	-2.0	-119.12	312.99	1.97	-117.15
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC(C3CCC3)=N2)CC1	REAL300010530494	0	39	-2.0	-126.48	316.64	4.53	-121.95
O=C([O-])C1(C(=O)[O-])CCN(CC2=COC(C3=CC(Cl)=CC(Cl)=C3)=N2)CC1	REAL300010530495	1	40	-2.0	-123.98	366.64	6.28	-117.70
O=C([O-])C1(C(=O)[O-])CCN(CC(=O)NCC2=CC=CN=C2)CC1	REAL300010530498	1	40	-2.0	-131.64	330.58	3.74	-127.90
CC(C)(C)N1C=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300010530499	0	42	-2.0	-136.04	332.28	5.23	-130.81
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)CC1	REAL300010530502	1	40	-2.0	-122.53	353.59	8.83	-113.70
O=C([O-])C1(C(=O)[O-])CCN(CC2=COC(C3=CC=CC=C3C(F)(F)F)=N2)CC1	REAL300010530503	1	43	-2.0	-129.91	362.96	6.28	-123.63
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(CC3CC3)=NO2)CC1	REAL300010530504	0	39	-2.0	-121.84	321.77	4.61	-117.23
COC1=CC=CC=C1C1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CO1	REAL300010530505	1	44	-2.0	-131.17	360.45	5.45	-125.72
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3CCC3)=NO2)CC1	REAL300010530507	0	39	-2.0	-122.50	316.67	4.38	-118.12
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=NC(C3CC4=CC=CC=C4O3)=N2)CC1	REAL300010530510	1	47	-2.0	-126.75	383.05	7.52	-119.23
COC1=CC=C([N+](=O)[O-])C=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530521	1	40	-2.0	-127.32	327.59	7.01	-120.31
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC(C(F)(F)F)=CO2)CC1	REAL300010530522	1	34	-2.0	-123.66	297.67	6.03	-117.63
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC3=C(CCCC3)O2)CC1	REAL300010530524	1	40	-2.0	-127.06	315.01	4.11	-122.95
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=CN=C2[N+](=O)[O-])CC1	REAL300010530533	1	35	-2.0	-128.35	293.25	6.89	-121.46
CC1=CC=C(F)C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1F	REAL300010530537	1	37	-2.0	-129.71	304.59	7.42	-122.29
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC3=C(C=C2Br)OCO3)CC1	REAL300010530539	1	37	-2.0	-123.04	320.75	6.12	-116.92
CN1N=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300010530541	0	37	-2.0	-124.24	317.73	5.34	-118.90
CN1N=C(C(F)(F)F)C=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530543	0	37	-2.0	-123.37	318.31	5.34	-118.03
CN1N=C(C(F)(F)F)C=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530545	0	37	-2.0	-123.37	318.31	5.34	-118.03
CC1=C(C(C)(C)C)SC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530552	1	45	-2.0	-128.80	353.36	7.09	-121.71
CC1(C)CC2=C(SC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)C(C)(C)C1	REAL300010530553	1	52	-2.0	-129.69	399.26	8.73	-120.96
CC(C)(C)C1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CO1	REAL300010530554	0	42	-2.0	-131.81	334.62	4.30	-127.51
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC3=C2COCC3)CC1	REAL300010530556	1	38	-2.0	-129.64	305.21	4.42	-125.22
CC(C)OCC1=NOC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530557	0	42	-2.0	-122.75	344.46	3.14	-119.61
CN1N=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C(F)F	REAL300010530558	0	36	-2.0	-135.67	304.42	4.09	-131.58
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=NN2CC(F)F)CC1	REAL300010530564	1	37	-2.0	-122.16	310.49	5.33	-116.83
CC(C)(C)OCC1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300010530568	0	46	-2.0	-128.11	372.66	5.70	-122.41
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=CC(C(F)(F)F)=N2)CC1	REAL300010530571	1	36	-2.0	-125.40	311.53	6.05	-119.35
O=C([O-])C1(C(=O)[O-])CCN(CC2=C(Br)C=CC=C2[N+](=O)[O-])CC1	REAL300010530579	1	36	-2.0	-129.06	312.01	8.13	-120.93
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=CC(C(F)(F)F)=N2)CC1	REAL300010530581	1	36	-2.0	-125.40	311.53	6.05	-119.35
COC1=CC(C)=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530582	0	39	-2.0	-127.02	320.41	3.43	-123.59
CC1=CC=C(N2N=NN=C2CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300010530583	0	42	-2.0	-126.97	343.66	7.55	-119.42
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC(Br)=CC=C2F)CC1	REAL300010530584	1	34	-2.0	-124.05	304.10	7.49	-116.56
CCOCC1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300010530591	0	40	-2.0	-127.84	338.36	4.55	-123.29
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(COCC(F)F)=N2)CC1	REAL300010530598	0	40	-2.0	-134.32	351.37	4.87	-129.45
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC3=C(CCCC3)N2)CC1	REAL300010530599	0	41	-2.0	-126.45	320.23	5.86	-120.59
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C3=CC4=CC=CC=C4O3)=N2)CC1	REAL300010530600	0	43	-2.0	-132.11	370.62	8.06	-124.05
COC(C)(C)C1=NOC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530602	0	42	-2.0	-124.46	336.27	2.34	-122.12
O=C([O-])C1(C(=O)[O-])CCN(CC2=CN3C=CC=C(Br)C3=N2)CC1	REAL300010530608	0	37	-2.0	-132.07	324.80	7.84	-124.23
CCN1C=C(Br)C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530615	0	37	-2.0	-130.83	322.18	6.09	-124.74
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC(Br)=CS2)CC1	REAL300010530616	1	31	-2.0	-121.22	287.27	6.57	-114.65
O=C([O-])C1(C(=O)[O-])CCN(CC2=CN3C=CC=C(F)C3=N2)CC1	REAL300010530622	0	37	-2.0	-133.50	309.90	7.34	-126.16
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC(C3=CC4=CC=CC=C4C=C3)=C2)CC1	REAL300010530627	1	46	-2.0	-126.83	377.59	10.14	-116.69
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC3=C(CCCCC3)S2)CC1	REAL300010530636	1	43	-2.0	-130.11	342.76	7.34	-122.77
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN=C(C3CC3)N2C2=CC=CC=C2)CC1	REAL300010530641	0	47	-2.0	-133.23	384.30	10.55	-122.68
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC3=C(CCCC3)S2)CC1	REAL300010530642	1	40	-2.0	-129.23	325.39	6.79	-122.44
CCN1N=CC(Br)=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530643	0	37	-2.0	-123.38	314.89	5.49	-117.89
CC1CCC2=C(C1)SC(CN1CCC(C(=O)[O-])(C(=O)[O-])CC1)=N2	REAL300010530645	1	43	-2.0	-128.75	346.20	7.40	-121.35
CC1(C)CCC2=C(C1)SC(CN1CCC(C(=O)[O-])(C(=O)[O-])CC1)=N2	REAL300010530646	1	46	-2.0	-129.21	361.15	7.70	-121.51
CC(C)(C)C1=NC=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300010530649	1	44	-2.0	-124.80	347.20	6.69	-118.11
O=C([O-])C1(C(=O)[O-])CCN(CC2=CN=C(C3CC3)N=C2)CC1	REAL300010530650	1	39	-2.0	-125.00	317.57	6.39	-118.61
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C3=CC=CC=C3Cl)=N2)CC1	REAL300010530652	1	40	-2.0	-128.46	351.42	7.91	-120.55
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300010530657	1	40	-2.0	-127.43	341.09	7.61	-119.82
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC(C3=CC=C(Cl)C=C3)=C2)CC1	REAL300010530659	1	40	-2.0	-123.68	348.28	8.41	-115.27
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC(C3=CC=C4OCCOC4=C3)=C2)CC1	REAL300010530666	1	46	-2.0	-127.59	376.03	7.04	-120.55
CN1N=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C(F)(F)F	REAL300010530673	0	36	-2.0	-127.32	306.47	4.09	-123.23
CC1=C(S(C)(=O)=O)C=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300010530674	1	40	-2.0	-138.93	336.96	3.14	-135.79
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300010530676	1	37	-2.0	-121.46	319.80	7.70	-113.76
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=CC=C2OC(F)(F)F)CC1	REAL300010530680	1	38	-2.0	-130.60	315.88	6.84	-123.76
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(Cl)=C2)CC1	REAL300010530681	1	31	-2.0	-121.80	282.80	6.42	-115.38
CC1=CC=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1Br	REAL300010530682	1	36	-2.0	-127.81	308.11	6.36	-121.45
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=CC(I)=C2)CC1	REAL300010530688	1	34	-2.0	-125.22	303.25	7.90	-117.32
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC(C3=CC=C(F)C=C3)=CS2)CC1	REAL300010530694	1	40	-2.0	-123.39	344.11	7.45	-115.94
CC1=CC(Cl)=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Br	REAL300010530695	1	37	-2.0	-123.60	331.29	8.60	-115.00
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC3=C2CCCCC3)CC1	REAL300010530699	1	43	-2.0	-125.67	324.79	7.15	-118.52
CS(=O)(=O)C1=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=C1	REAL300010530701	0	37	-2.0	-133.81	319.65	3.81	-130.00
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN=NN2C2=CC=C(F)C=C2)CC1	REAL300010530702	0	39	-2.0	-124.63	330.33	6.12	-118.51
CC(C)=C(Br)CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530704	1	34	-2.0	-122.70	287.56	6.37	-116.33
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=C(F)C(C(F)(F)F)=C2)CC1	REAL300010530712	1	37	-2.0	-121.67	319.79	7.86	-113.81
O=C([O-])C1(C(=O)[O-])CCN(CC2=CSC(C(F)(F)F)=C2)CC1	REAL300010530713	1	34	-2.0	-121.58	306.40	7.00	-114.58
O=C([O-])C1(C(=O)[O-])CCN(CC2=C(C(F)(F)F)SC=C2)CC1	REAL300010530714	1	34	-2.0	-122.28	300.29	7.69	-114.59
O=C([O-])C1(C(=O)[O-])CCN(CC2=C(Br)C=CC(Cl)=C2F)CC1	REAL300010530715	0	34	-2.0	-127.37	312.15	7.60	-119.77
CC(C)N1C2=CC=C(Cl)C=C2N=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530716	1	46	-2.0	-131.23	375.01	8.98	-122.25
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC(CC3=CC=CC=C3)=C2)CC1	REAL300010530718	0	43	-2.0	-125.27	354.94	8.75	-116.52
CC1=NC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Br	REAL300010530722	0	36	-2.0	-123.29	310.78	6.08	-117.21
O=C([O-])C1(C(=O)[O-])CCN(CC2=NN(CC3=CC=CC=C3)C=C2)CC1	REAL300010530731	1	44	-2.0	-130.01	360.84	8.38	-121.63
O=C([O-])C1(C(=O)[O-])CCN(CC2=C3COCCC3=NN2)CC1	REAL300010530732	1	39	-2.0	-125.67	312.36	3.29	-122.38
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC(Cl)=CC(Br)=C2)CC1	REAL300010530734	1	34	-2.0	-121.47	312.69	7.76	-113.71
CC(F)(F)C1=CC=CC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530735	1	39	-2.0	-123.65	325.18	6.73	-116.92
O=C([O-])C1(C(=O)[O-])CCN(CC2=NOC(C3CCCC3)=C2)CC1	REAL300010530738	0	43	-2.0	-123.22	338.97	7.62	-115.60
O=C([O-])C1(C(=O)[O-])CCN(CC2=NC=CN=C2C(F)(F)F)CC1	REAL300010530739	0	35	-2.0	-126.73	298.21	4.84	-121.89
CN1C=C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300010530757	1	37	-2.0	-127.46	319.80	5.67	-121.79
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC(C(F)(F)F)=CS2)CC1	REAL300010530758	1	34	-2.0	-123.93	306.13	6.97	-116.96
O=C([O-])C1(C(=O)[O-])CCN(CC2=CC=CN=C2Br)CC1	REAL300010530759	1	33	-2.0	-123.57	289.81	5.60	-117.97
CN1C=C([N+](=O)[O-])C(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530760	0	36	-2.0	-138.88	298.70	4.80	-134.08
COC1=NC(C)=CC(CN2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300010530762	1	39	-2.0	-125.88	319.77	2.05	-123.83
CC1=CC=C(C2=NC(CN3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)C=C1	REAL300010530763	1	43	-2.0	-127.43	362.48	8.29	-119.14
CN1C([N+](=O)[O-])=CN=C1CN1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300010530766	0	36	-2.0	-120.74	298.13	6.46	-114.28
O=C([O-])CC1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010531126	0	37	-2.0	-95.10	312.64	3.12	-91.98
O=C([O-])C1=C2CN(CC3=NC4=CC=CC=C4S(=O)(=O)[N-]3)CCN2N=C1	REAL300010533224	0	38	-2.0	-94.90	327.97	2.19	-92.71
O=C([O-])C1=CC=C2CN(CC3=NC4=CC=CC=C4S(=O)(=O)[N-]3)CCOC2=C1	REAL300010537069	0	42	-2.0	-108.34	352.81	3.75	-104.59
CCN(CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1)C(C)C(=O)[O-]	REAL300010537918	0	36	-2.0	-108.71	302.24	3.04	-105.67
O=C([O-])C1CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC12CCOCC2	REAL300010539874	0	45	-2.0	-105.03	357.06	2.62	-102.41
COCC1(C(=O)[O-])CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1	REAL300010541122	0	44	-2.0	-106.50	359.85	3.07	-103.43
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CCC1=NC(C(C)C)=CC=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554666	0	45	-2.0	-111.47	350.00	8.00	-103.47
CN(C)S(=O)(=O)C1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554667	0	42	-2.0	-110.81	350.32	4.25	-106.56
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CC(C1=CC=CC=C1)C(O)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554670	0	41	-2.0	-110.26	321.46	5.88	-104.38
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COCC(C)OCC(O)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554677	0	42	-2.0	-112.22	335.10	2.21	-110.01
COCCOCCOC1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554678	0	49	-2.0	-110.70	395.20	6.08	-104.62
CCS(=O)(=O)CCCCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554679	0	42	-2.0	-116.71	346.22	4.15	-112.56
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC2=CC=CC=C2N=C1	REAL300010554680	0	36	-2.0	-112.13	297.58	6.71	-105.42
O=C([O-])C1CCC(C(=O)[O-])N1CC=CC1=CC=C(Cl)C=C1	REAL300010554681	0	35	-2.0	-106.33	306.27	8.27	-98.06
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O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL300010554684	0	42	-2.0	-110.41	364.88	10.04	-100.37
CC1=CC=C(OC(F)F)C(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010554685	0	38	-2.0	-111.86	317.81	7.01	-104.85
COC1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C(Br)=C1	REAL300010554686	0	35	-2.0	-105.95	308.63	6.64	-99.31
CC1=C(Br)C=CC=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554687	0	34	-2.0	-105.28	294.36	8.14	-97.14
O=C([O-])C1CCC(C(=O)[O-])N1CCSC1CCCCC1	REAL300010554688	0	41	-2.0	-108.35	323.27	8.07	-100.28
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=C(F)C=C1Cl	REAL300010554689	0	35	-2.0	-101.85	306.37	7.34	-94.51
CCOC1=CC=C(C2=NC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=CO2)C=C1	REAL300010554690	0	44	-2.0	-116.08	367.96	5.90	-110.18
CS(=O)(=O)C1=CC=C(C2=NC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=CO2)C=C1	REAL300010554691	0	43	-2.0	-123.84	377.30	3.20	-120.64
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(Cl)C=C1Cl	REAL300010554692	0	31	-2.0	-103.08	292.53	7.71	-95.37
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(C2=CC=CS2)C=C1	REAL300010554693	0	38	-2.0	-108.96	322.08	8.86	-100.10
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C2OC(F)(F)OC2=C1	REAL300010554694	0	34	-2.0	-97.63	294.38	5.35	-92.28
COC1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300010554695	0	35	-2.0	-104.02	300.25	6.10	-97.92
CC1=CC(C)=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C(OCC2=CC=CC=C2)=N1	REAL300010554696	0	50	-2.0	-118.77	398.78	8.32	-110.45
CC(C1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1)C(F)(F)F	REAL300010554697	0	40	-2.0	-109.28	329.76	8.44	-100.84
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC(CC2=CC=CC(F)=C2)=NO1	REAL300010554698	0	39	-2.0	-110.42	340.12	6.15	-104.27
COC1=NC(C)=CC(C)=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554699	0	40	-2.0	-113.41	317.03	4.33	-109.08
COC1=NC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300010554700	0	34	-2.0	-100.77	297.94	3.49	-97.28
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1CCOCC1	REAL300010554701	0	43	-2.0	-109.00	333.09	2.06	-106.94
COC1=CC=CC=C1S(=O)(=O)CCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554702	0	44	-2.0	-119.86	366.04	4.81	-115.05
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC(C2=CC=CC=C2)=CS1	REAL300010554703	0	37	-2.0	-118.82	321.09	7.52	-111.30
CC1=CC=C(C2=CSC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=N2)C=C1	REAL300010554704	0	40	-2.0	-119.18	342.55	8.21	-110.97
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC(Br)=C1OC(F)F	REAL300010554705	0	35	-2.0	-108.77	316.18	6.91	-101.86
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(C2=CSC=C2)C=C1	REAL300010554706	0	38	-2.0	-108.99	320.27	8.68	-100.31
CN(C)S(=O)(=O)C1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554707	0	42	-2.0	-110.81	350.32	4.25	-106.56
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(F)=CC(Br)=C1	REAL300010554708	0	31	-2.0	-99.08	284.12	7.11	-91.97
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(Cl)=CC(Br)=C1	REAL300010554709	0	31	-2.0	-99.69	294.44	7.54	-92.15
COC1=CC([N+](=O)[O-])=CC=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554710	0	37	-2.0	-106.16	316.66	6.72	-99.44
CC(C)OC1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300010554711	0	41	-2.0	-105.49	340.74	7.70	-97.79
COC(C)C1=NC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300010554712	0	37	-2.0	-109.89	316.86	4.43	-105.46
CC1=CC=CC=C1CC1=NOC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300010554713	0	42	-2.0	-112.51	350.84	6.62	-105.89
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)C1=CC=CC=C1Br	REAL300010554714	0	35	-2.0	-113.29	300.47	5.45	-107.84
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O=C([O-])C1CCC(C(=O)[O-])N1CCCC1=CC=C(C(F)(F)F)C=C1	REAL300010554716	0	40	-2.0	-102.93	338.81	8.97	-93.96
COC1=CC(Cl)=CC=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554717	0	35	-2.0	-109.52	305.18	6.57	-102.95
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC(C(F)(F)F)=CS1	REAL300010554718	0	30	-2.0	-109.33	283.44	4.92	-104.41
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC2=C(Br)C=CC=C12	REAL300010554719	0	37	-2.0	-107.65	318.97	9.12	-98.53
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC=CN1C1=CC=CC=C1	REAL300010554720	0	38	-2.0	-120.11	305.62	7.70	-112.41
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NOC(C2CCCCC2)=N1	REAL300010554721	0	42	-2.0	-118.11	336.00	5.34	-112.77
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(Cl)=CC(Cl)=C1	REAL300010554722	0	31	-2.0	-99.53	288.13	7.26	-92.27
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC=C1OCC(F)(F)F	REAL300010554723	0	38	-2.0	-113.92	329.97	7.45	-106.47
CCCOC1=CC=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010554724	0	41	-2.0	-112.62	332.31	7.73	-104.89
CC1=C(C2=CC=C(Cl)C=C2)OC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300010554725	0	40	-2.0	-117.25	356.15	6.71	-110.54
O=C([O-])C1CCC(C(=O)[O-])N1CCC1=CC(Cl)=CC(Cl)=C1	REAL300010554726	0	34	-2.0	-102.24	311.50	8.20	-94.04
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(C2CCCC2)C=C1	REAL300010554727	0	44	-2.0	-109.39	338.21	9.44	-99.95
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(C2CCCCC2)C=C1	REAL300010554728	0	47	-2.0	-109.75	356.58	10.06	-99.69
CCS(=O)(=O)NCCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554729	0	38	-2.0	-108.44	318.13	1.21	-107.23
O=C([O-])C1CCC(C(=O)[O-])N1CCCS(=O)(=O)C1=CC=CC=C1	REAL300010554730	0	40	-2.0	-115.25	339.34	4.96	-110.29
CC1=CC=C(S(=O)(=O)CCCN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554731	0	43	-2.0	-115.07	360.74	5.64	-109.43
COC1=CC=C(Cl)C=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554732	0	35	-2.0	-109.81	305.17	6.56	-103.25
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(OC2=CC=CC=C2)C(F)=C1	REAL300010554733	0	42	-2.0	-106.14	350.89	9.19	-96.95
O=C([O-])C1CCC(C(=O)[O-])N1CCOCC(F)(F)C(F)F	REAL300010554734	0	34	-2.0	-106.74	301.71	5.37	-101.37
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC2=C(C=C1Cl)OCCO2	REAL300010554735	0	37	-2.0	-111.31	320.24	6.37	-104.94
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(Br)C=C1	REAL300010554736	0	31	-2.0	-104.14	280.75	7.33	-96.81
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(Cl)C=C1Cl	REAL300010554737	0	31	-2.0	-103.08	292.53	7.71	-95.37
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(Cl)C(Cl)=C1	REAL300010554738	0	31	-2.0	-99.43	286.00	7.20	-92.23
O=C([O-])C1CCC(C(=O)[O-])N1CC1=C(F)C=CC=C1Cl	REAL300010554739	0	31	-2.0	-108.38	274.45	6.94	-101.44
O=C([O-])C1CCC(C(=O)[O-])N1CC1=C(Cl)C=CC=C1Cl	REAL300010554740	0	31	-2.0	-104.95	279.74	6.95	-98.00
CC1=CC(C(C)(C)C)=CC(C)=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554741	0	49	-2.0	-108.96	361.08	9.81	-99.15
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(Cl)=CC=C1OC(F)F	REAL300010554742	0	35	-2.0	-106.97	314.93	6.84	-100.13
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC(C(F)(F)F)=C1	REAL300010554743	0	34	-2.0	-105.34	298.51	7.72	-97.62
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=C(Br)C=C1	REAL300010554744	0	35	-2.0	-103.21	305.23	7.36	-95.85
CC(=O)C1=CC(F)=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1O	REAL300010554745	0	37	-2.0	-109.89	312.51	5.88	-104.01
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=CC=C1Cl	REAL300010554746	0	35	-2.0	-108.21	299.97	7.27	-100.94
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=C(Cl)C=C1	REAL300010554747	0	35	-2.0	-103.16	300.67	7.25	-95.91
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=CC(Br)=C1	REAL300010554748	0	35	-2.0	-105.32	305.23	7.37	-97.95
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=CC(Cl)=C1	REAL300010554749	0	35	-2.0	-105.36	300.67	7.26	-98.10
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=C(Cl)C=C1Cl	REAL300010554750	0	35	-2.0	-102.48	316.70	7.78	-94.70
COC1=CC=C(OCCN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554751	0	39	-2.0	-107.44	313.43	6.02	-101.42
CC1=CC=C(C)C(OCCN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010554752	0	41	-2.0	-110.50	325.42	8.11	-102.39
CC(C)(C)C1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554753	0	43	-2.0	-111.44	335.65	9.03	-102.41
O=C([O-])C1CCC(C(=O)[O-])N1CC1=C(Cl)C=CC=C1Cl	REAL300010554754	0	31	-2.0	-104.95	279.74	6.95	-98.00
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(F)C=C1Cl	REAL300010554755	0	31	-2.0	-102.75	282.21	7.27	-95.48
CCOC1=CC=C(OCCN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554756	0	42	-2.0	-107.41	335.28	6.94	-100.47
CS(=O)(=O)N1CCCC(CN2C(C(=O)[O-])CCC2C(=O)[O-])C1	REAL300010554757	0	42	-2.0	-110.30	339.82	3.90	-106.40
CC1=CC=CC(S(=O)(=O)CCCN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010554758	0	43	-2.0	-115.36	360.74	5.62	-109.74
CC1=CC=C(Cl)C(OCC(O)CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010554759	0	42	-2.0	-111.25	351.80	5.57	-105.68
O=C([O-])C1CCC(C(=O)[O-])N1CC1=COC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300010554760	0	39	-2.0	-108.17	344.79	6.34	-101.83
O=C([O-])C1CCC(C(=O)[O-])N1CC1=COC(C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300010554761	0	40	-2.0	-111.05	355.31	6.67	-104.38
O=C([O-])C1CCC(C(=O)[O-])N1CCC1=CC=CC(OC(F)(F)F)=C1	REAL300010554762	0	38	-2.0	-104.92	324.58	6.98	-97.94
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(C(F)(F)F)C=N1	REAL300010554763	0	33	-2.0	-104.97	293.49	6.22	-98.75
CC1=C(Br)C=CC=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554764	0	34	-2.0	-105.28	294.36	8.14	-97.14
COC1=CC=C(Cl)C(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010554766	0	35	-2.0	-109.26	305.25	6.51	-102.75
O=C([O-])C1CCC(C(=O)[O-])N1CCC1=CC=CC(Cl)=C1Cl	REAL300010554767	0	34	-2.0	-109.37	307.52	8.05	-101.32
CC1=CC(Br)=CC=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554768	0	34	-2.0	-103.58	297.58	8.24	-95.34
CC1=CC=C(Br)C=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554769	0	34	-2.0	-103.87	297.72	8.23	-95.64
CC1=CC=C(Br)C=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554770	0	34	-2.0	-103.87	297.72	8.23	-95.64
CC1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Br	REAL300010554771	0	34	-2.0	-105.66	294.22	7.44	-98.22
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=C(OC(F)(F)F)C=C1	REAL300010554772	0	39	-2.0	-102.43	329.93	6.51	-95.92
CC(C)COC(C)C1=NOC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300010554773	0	45	-2.0	-114.53	371.88	4.56	-109.97
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O=C([O-])C1CCC(C(=O)[O-])N1CCCCC1=CC=C(Cl)C(Cl)=C1	REAL300010554776	0	40	-2.0	-103.15	353.49	9.72	-93.43
O=C([O-])C1CCC(C(=O)[O-])N1CCC1=CC=C(OC(F)(F)F)C=C1	REAL300010554777	0	38	-2.0	-103.29	324.58	6.98	-96.31
O=C([O-])C1CCC(C(=O)[O-])N1CCC1=CC(Cl)=CC(Cl)=C1	REAL300010554778	0	34	-2.0	-102.24	311.50	8.20	-94.04
CCS(=O)(=O)C1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554779	0	40	-2.0	-119.00	341.61	5.13	-113.87
CS(=O)(=O)CC1(CN2C(C(=O)[O-])CCC2C(=O)[O-])CC1	REAL300010554780	0	37	-2.0	-112.56	301.80	3.05	-109.51
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCCS(=O)(=O)C1	REAL300010554781	0	37	-2.0	-111.78	299.33	3.27	-108.51
COC1=CC=C2N=C(CN3C(C(=O)[O-])CCC3C(=O)[O-])NC2=N1	REAL300010554782	0	37	-2.0	-113.09	313.67	3.09	-110.00
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010554783	0	43	-2.0	-110.14	363.79	4.10	-106.04
CN(C)S(=O)(=O)C1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300010554784	0	39	-2.0	-115.46	346.90	3.85	-111.61
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NN(C2=CC=C(Cl)C=C2)C=C1	REAL300010554785	0	38	-2.0	-115.42	335.72	8.44	-106.98
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCS(=O)(=O)CC1	REAL300010554786	0	37	-2.0	-101.95	293.78	2.89	-99.06
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCC(C(F)(F)F)CC1	REAL300010554787	0	40	-2.0	-102.22	313.44	7.82	-94.40
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCC(C2=CC=CC=C2)CC1	REAL300010554788	0	47	-2.0	-111.40	346.22	10.13	-101.27
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(Br)C=C1F	REAL300010554789	0	31	-2.0	-109.12	288.30	7.46	-101.66
CCOC1=CC=C(OCCN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554790	0	42	-2.0	-107.41	335.28	6.94	-100.47
CCOC1=CC=C(C(C)=O)C=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554791	0	43	-2.0	-120.02	351.30	7.40	-112.62
COC1=CC=C([N+](=O)[O-])C=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554792	0	37	-2.0	-107.66	316.65	6.71	-100.95
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC2=CC([N+](=O)[O-])=CC=C2N1	REAL300010554793	0	36	-2.0	-108.12	314.80	6.04	-102.08
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC=C(C2=CC=CC=C2)O1	REAL300010554794	0	37	-2.0	-120.61	315.85	5.54	-115.07
CN(C)S(=O)(=O)C1=CC=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010554795	0	42	-2.0	-117.86	355.78	4.67	-113.19
CC1=CC(OCCN2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1C(C)C	REAL300010554796	0	47	-2.0	-111.01	361.25	9.17	-101.84
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1=CC=CC=C1	REAL300010554797	0	39	-2.0	-109.89	314.36	4.35	-105.54
CCC1=CC=CC(OCCN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010554798	0	41	-2.0	-110.07	326.83	8.18	-101.89
COC1=CC=C(N2C3=CC=CC=C3N=C2CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554799	0	48	-2.0	-119.35	392.70	9.59	-109.76
CCOC1=CC=C(C2=NC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)C=C1	REAL300010554800	0	44	-2.0	-114.70	375.78	8.09	-106.61
CC1=CC=CC(C)=C1OCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554801	0	41	-2.0	-112.03	327.22	7.52	-104.51
COC1=CC=C(C2=NOC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=N2)C=C1OC	REAL300010554802	0	44	-2.0	-117.42	370.28	4.76	-112.66
CC(C)(C)C1=CC=C(OCC(O)CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554803	0	51	-2.0	-109.57	390.53	6.67	-102.90
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1=CC=CC=C1F	REAL300010554804	0	39	-2.0	-113.39	320.58	4.42	-108.97
CCCOC1=CC=C(OCCN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554805	0	45	-2.0	-107.15	356.78	7.74	-99.41
O=C([O-])C1CCC(C(=O)[O-])N1CCSC1=CC=C(Cl)C=C1	REAL300010554806	0	35	-2.0	-104.80	314.09	8.17	-96.63
O=C([O-])C1CCC(C(=O)[O-])N1CCSC1=CC(Cl)=CC=C1Cl	REAL300010554807	0	35	-2.0	-107.53	329.12	8.62	-98.91
O=C([O-])C1CCC(C(=O)[O-])N1CCSC1=CC=CC=C1F	REAL300010554808	0	35	-2.0	-109.10	303.13	7.69	-101.41
O=C([O-])C1CCC(C(=O)[O-])N1CCSC1=CC=C(F)C=C1	REAL300010554809	0	35	-2.0	-104.50	303.77	7.72	-96.78
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC=C1Br	REAL300010554810	0	31	-2.0	-105.86	278.28	7.20	-98.66
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COCC1=CC=CO1	REAL300010554811	0	39	-2.0	-111.77	323.19	3.14	-108.63
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1=CC=C(Br)C=C1	REAL300010554812	0	39	-2.0	-105.60	335.65	4.97	-100.63
CC1=CC=CC(OCC(O)CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010554813	0	42	-2.0	-110.66	338.29	5.25	-105.41
CC1=CC=CC=C1OCC(O)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554814	0	42	-2.0	-110.48	334.43	5.10	-105.38
CC1=CC=CC(C)=C1OCC(O)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554815	0	45	-2.0	-112.38	358.69	6.10	-106.28
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1=CC=CC(Br)=C1	REAL300010554816	0	39	-2.0	-107.61	338.18	5.20	-102.41
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1=CC=C(Cl)C=C1Cl	REAL300010554817	0	39	-2.0	-106.44	347.11	5.41	-101.03
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1=CC=CC2=CC=CC=C21	REAL300010554818	0	45	-2.0	-114.42	361.92	6.89	-107.53
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1=CC=CC([N+](=O)[O-])=C1	REAL300010554819	0	41	-2.0	-108.92	345.09	5.25	-103.67
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1=CC=C(C2=CC=CC=C2)C=C1	REAL300010554820	0	49	-2.0	-110.30	388.52	7.77	-102.53
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1=CC2=CC=CC=C2C=C1	REAL300010554821	0	45	-2.0	-111.98	360.37	6.63	-105.35
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COCC1=CC=CC=C1	REAL300010554822	0	42	-2.0	-110.52	342.43	5.05	-105.47
CC1=C(C2=NOC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=NN1C	REAL300010554823	0	40	-2.0	-115.04	335.73	6.31	-108.73
O=C([O-])C1CCC(C(=O)[O-])N1CCOCC(F)(F)C(F)(F)F	REAL300010554824	0	34	-2.0	-104.03	307.42	5.48	-98.55
CC1=CC(C)=CC(OCC2=NOC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=N2)=C1	REAL300010554825	0	46	-2.0	-115.27	387.19	6.43	-108.84
CCSC(C)C1=NOC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300010554826	0	39	-2.0	-114.81	338.71	4.99	-109.82
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC2=CC=CN=C2C=C1	REAL300010554827	0	36	-2.0	-112.19	300.55	7.06	-105.13
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)CC1=CC=C(C(F)(F)F)C=C1	REAL300010554828	0	41	-2.0	-104.08	343.88	6.32	-97.76
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(OC2=CC=CC=C2)N=N1	REAL300010554829	0	40	-2.0	-116.23	341.46	5.82	-110.41
O=C([O-])C1CCC(C(=O)[O-])N1CCN1CCS(=O)(=O)CC1	REAL300010554830	0	39	-2.0	-112.76	314.66	0.53	-112.23
CC1=NC(C(F)(F)F)=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])S1	REAL300010554831	0	33	-2.0	-109.18	298.46	5.76	-103.42
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NN=C(C2CC2)N1C1CC1	REAL300010554832	0	41	-2.0	-119.47	339.74	8.55	-110.92
CCN(CCCN1C(C(=O)[O-])CCC1C(=O)[O-])CC(F)(F)F	REAL300010554833	0	41	-2.0	-104.71	323.00	4.80	-99.91
COC1=CC(Br)=CC=C1CCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554834	0	41	-2.0	-108.42	349.68	7.95	-100.47
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CN1C(CN2C(C(=O)[O-])CCC2C(=O)[O-])=NN=C1C1=CC=C(Cl)C=C1	REAL300010554841	0	40	-2.0	-114.71	346.73	8.61	-106.10
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CCC(=O)C1=CC=C(OCC(O)CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554848	0	47	-2.0	-109.16	377.26	5.64	-103.52
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COC1=CC=CC(COCC(O)CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010554853	0	46	-2.0	-112.35	371.95	4.35	-108.00
CC1=CC=C(C)C(OCC(O)CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1C	REAL300010554854	0	48	-2.0	-112.89	375.64	6.62	-106.27
CC(OCC(O)CN1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300010554855	0	45	-2.0	-109.05	378.22	6.36	-102.69
CCOC1=CC=C(OCC(O)CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010554856	0	46	-2.0	-108.54	365.71	4.56	-103.98
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CC1=CC(C(C)(C)C)=CC=C1OCC(O)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554858	0	54	-2.0	-110.30	410.60	7.42	-102.88
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CC(=O)C1=CC=CC(OCC(O)CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010554860	0	44	-2.0	-118.45	359.65	5.06	-113.39
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CCN(CCOC)C1=CC=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300010554904	0	48	-2.0	-118.35	385.70	7.61	-110.74
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COC(CC1=CC=CC=C1)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010554907	0	41	-2.0	-107.14	310.21	6.85	-100.29
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O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300010554919	0	39	-2.0	-112.17	323.94	6.52	-105.65
COC1=CN=CC(C=CCCN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010554920	0	41	-2.0	-107.53	334.06	5.96	-101.57
CN(CCCN1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=CC=C1	REAL300010554921	0	42	-2.0	-108.82	330.25	7.87	-100.95
CC1=CC=C(C2=NC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)O1	REAL300010554922	0	37	-2.0	-118.36	328.90	6.72	-111.64
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CC(C)OC1=CC=NC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010554924	0	40	-2.0	-112.74	324.00	6.09	-106.65
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O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1=CC=CC=C1Cl	REAL300010554928	0	39	-2.0	-111.07	330.39	4.90	-106.17
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1=CC=C(Cl)C=C1	REAL300010554929	0	39	-2.0	-105.76	331.08	4.87	-100.89
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CC1=CC=C(OCC(O)CN2C(C(=O)[O-])CCC2C(=O)[O-])C(C)=C1	REAL300010554931	0	45	-2.0	-110.56	355.84	5.76	-104.80
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O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(Cl)C2=CC=CN=C12	REAL300010555024	0	36	-2.0	-114.93	314.56	7.50	-107.43
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O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(F)C2=CC=CN=C12	REAL300010555027	0	36	-2.0	-114.82	305.72	7.11	-107.71
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CSC(CC2=CC=C(Cl)C=C2)=N1	REAL300010555028	0	40	-2.0	-107.72	357.49	8.81	-98.91
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O=C([O-])C1CCC(C(=O)[O-])N1CC1=C(Cl)C=CC2=CC=CN=C21	REAL300010555030	0	36	-2.0	-118.65	305.34	6.94	-111.71
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(Cl)=CC2=CC=CN=C21	REAL300010555031	0	36	-2.0	-115.85	314.98	7.41	-108.44
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)C1=CC=CC(C(F)(F)F)=C1	REAL300010555032	0	38	-2.0	-108.26	320.29	5.71	-102.55
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)C1=CC=C(F)C=C1F	REAL300010555033	0	35	-2.0	-113.74	307.06	4.97	-108.77
CS(=O)(=O)C1=CC=C(C(O)CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010555034	0	41	-2.0	-114.49	341.95	2.21	-112.28
CC1=C(C)C=C2C(=C1)N=CN2CC(O)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555035	0	47	-2.0	-111.75	371.48	7.31	-104.44
CCOC1=CC=CC=C1OCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555036	0	42	-2.0	-115.60	335.04	7.38	-108.22
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=C([N+](=O)[O-])C=C1	REAL300010555037	0	37	-2.0	-98.30	312.14	7.40	-90.90
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=CC=C1[N+](=O)[O-]	REAL300010555038	0	37	-2.0	-117.19	309.96	7.86	-109.33
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O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=CC([N+](=O)[O-])=C1	REAL300010555041	0	37	-2.0	-105.17	312.15	7.41	-97.76
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O=C([O-])C1CCC(C(=O)[O-])N1CCS(=O)(=O)CC1=CC=CC=C1	REAL300010555044	0	40	-2.0	-113.72	342.18	4.88	-108.84
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O=C([O-])C1CCC(C(=O)[O-])N1CC1=CSC(NC2=CC=CC=C2)=N1	REAL300010555046	0	39	-2.0	-115.32	335.25	7.37	-107.95
CC1=CC=C(NC2=NC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)C=C1	REAL300010555047	0	42	-2.0	-117.34	356.73	8.04	-109.30
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O=C([O-])C1CCC(C(=O)[O-])N1CC1=CSC(COC2=CC=C(Cl)C=C2)=N1	REAL300010555061	0	41	-2.0	-114.15	372.86	7.86	-106.29
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O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(C2=CC=C(F)C=C2)=NO1	REAL300010555063	0	37	-2.0	-108.93	321.60	7.95	-100.98
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O=C([O-])C1CCC(C(=O)[O-])N1CC1=CSC(C2CCCCC2)=N1	REAL300010555065	0	43	-2.0	-114.17	348.67	7.97	-106.20
CC1=CC=C(C2=NC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)O1	REAL300010555066	0	37	-2.0	-118.36	328.90	6.72	-111.64
CC(C)OC1=CC=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010555067	0	41	-2.0	-113.76	328.74	7.56	-106.20
CCCCC1=NC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300010555068	0	39	-2.0	-111.64	326.54	6.95	-104.69
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NN(C2=CC=CC=C2)N=C1	REAL300010555069	0	37	-2.0	-118.57	314.66	6.54	-112.03
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(S(=O)(=O)N2CCCC2)O1	REAL300010555070	0	43	-2.0	-119.56	365.32	4.13	-115.43
CN(C)S(=O)(=O)C1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])O1	REAL300010555071	0	39	-2.0	-118.32	338.98	2.98	-115.34
CN1C=CN=C1COC1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010555072	0	45	-2.0	-109.93	365.65	7.91	-102.02
CN1C2=CC=C(Cl)C=C2N=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555073	0	37	-2.0	-118.85	315.65	7.37	-111.48
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300010555074	0	44	-2.0	-111.12	379.93	8.79	-102.33
CN1C=C(C2=NC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)C=N1	REAL300010555075	0	37	-2.0	-117.10	329.12	5.63	-111.47
O=C([O-])C1CCC(C(=O)[O-])N1CCC1=NN=NN1C1=CC=CC=C1	REAL300010555076	0	39	-2.0	-104.53	324.17	6.35	-98.18
O=C([O-])C1CCC(C(=O)[O-])N1CCCOC1=CC=CC(Cl)=C1	REAL300010555077	0	38	-2.0	-105.44	325.27	7.29	-98.15
CC1=CC=CC=C1OCCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555078	0	41	-2.0	-108.94	328.63	7.53	-101.41
CCS(=O)(=O)C1=CC=C2OC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=NC2=C1	REAL300010555079	0	42	-2.0	-128.46	367.20	2.49	-125.97
O=C([O-])C1CCC(C(=O)[O-])N1CCNS(=O)(=O)C1=CC=CC=C1	REAL300010555080	0	39	-2.0	-109.02	333.33	2.71	-106.31
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O=C([O-])C1CCC(C(=O)[O-])N1CC1=NN=NN1C1=CC=C(C(F)(F)F)C=C1	REAL300010555083	0	39	-2.0	-105.54	341.50	7.70	-97.84
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O=C([O-])C1CCC(C(=O)[O-])N1CC1=NN=NN1C1=CC=C(OC(F)F)C=C1	REAL300010555089	0	40	-2.0	-113.51	352.37	5.78	-107.73
CS(=O)(=O)C1=CC=C(N2N=NN=C2CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010555090	0	42	-2.0	-116.69	363.49	4.23	-112.46
CC1=CC=CC(C)=C1N1N=NN=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555091	0	42	-2.0	-122.13	334.99	6.63	-115.50
O=C([O-])C1CCC(C(=O)[O-])N1CCCCOC1=CC=CC=C1C(F)(F)F	REAL300010555092	0	44	-2.0	-107.11	367.52	8.65	-98.46
O=C([O-])C1CCC(C(=O)[O-])N1C[C@@H](O)COCC1=CC=CC=C1	REAL300010555093	0	42	-2.0	-118.71	346.87	5.64	-113.07
O=C([O-])C1CCC(C(=O)[O-])N1C[C@H](O)COCC1=CC=CC=C1	REAL300010555094	0	42	-2.0	-118.55	353.02	4.90	-113.65
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(OCC2=CC=C(F)C=C2)C=C1	REAL300010555095	0	45	-2.0	-109.26	377.13	10.07	-99.19
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(OCC2=CC=CN=C2)C=C1	REAL300010555096	0	44	-2.0	-108.00	360.83	7.75	-100.25
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300010555097	0	44	-2.0	-107.26	360.89	7.76	-99.50
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(OCC2=CC=CC=N2)C=C1	REAL300010555098	0	44	-2.0	-110.44	358.76	7.84	-102.60
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC2=C1OCCO2	REAL300010555099	0	37	-2.0	-115.24	301.52	5.97	-109.27
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(Cl)C=C1Cl	REAL300010555100	0	31	-2.0	-103.08	292.53	7.71	-95.37
O=C([O-])C1CCC(C(=O)[O-])N1CCCS(=O)(=O)C1=CC=C(F)C=C1	REAL300010555101	0	40	-2.0	-110.76	345.74	5.03	-105.73
CC(C)CCC1=NOC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300010555102	0	41	-2.0	-112.37	334.37	5.17	-107.20
COC1=CC=CC(OC)=C1OCC(O)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555103	0	47	-2.0	-122.22	376.77	4.16	-118.06
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1=CC=CC(C(F)(F)F)=C1	REAL300010555104	0	42	-2.0	-107.42	355.61	5.58	-101.84
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C2OCCOC2=C1	REAL300010555105	0	37	-2.0	-109.98	298.59	5.37	-104.61
CS(=O)(=O)C1=CC=C(OCCCN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010555106	0	44	-2.0	-113.23	369.21	4.31	-108.92
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=CC2=CC=CC=C21	REAL300010555107	0	41	-2.0	-114.17	328.98	9.04	-105.13
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NN(C2=CC=CC=C2)C=C1	REAL300010555108	0	38	-2.0	-120.73	318.93	7.93	-112.80
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NN(C2=CC=C(F)C=C2)C2=C1CCC2	REAL300010555109	0	45	-2.0	-119.80	370.81	9.62	-110.18
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NN(C2=CC=CC=C2)C2=C1CCC2	REAL300010555110	0	45	-2.0	-132.56	361.91	9.42	-123.14
CC(C)CCC1=NC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300010555111	0	42	-2.0	-111.76	344.11	7.47	-104.29
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(N2C=CC=N2)C=C1	REAL300010555112	0	38	-2.0	-108.65	313.08	7.46	-101.19
O=C([O-])C1CCC(C(=O)[O-])N1CCCOC1=CC=C2OCOC2=C1	REAL300010555113	0	41	-2.0	-106.47	334.62	5.42	-101.05
O=C([O-])C1CCC(C(=O)[O-])N1CCCOC1=CC=CC(C(F)(F)F)=C1	REAL300010555114	0	41	-2.0	-105.11	347.26	7.78	-97.33
O=C([O-])C1CCC(C(=O)[O-])N1CCSC1=CC=C(Cl)C=C1	REAL300010555115	0	35	-2.0	-104.80	314.09	8.17	-96.63
NS(=O)(=O)C1=CC=C(CCN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010555116	0	39	-2.0	-111.43	332.76	2.15	-109.28
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NN(C2=CC=CC(F)=C2)C=C1	REAL300010555117	0	38	-2.0	-115.51	325.39	7.98	-107.53
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC(OC(F)F)=C1	REAL300010555118	0	35	-2.0	-111.39	298.71	6.29	-105.10
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(Br)=CC=C1OC(F)F	REAL300010555119	0	35	-2.0	-106.99	319.50	6.94	-100.05
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=CC=C1C(F)(F)F	REAL300010555120	0	38	-2.0	-109.36	319.61	7.70	-101.66
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CSC(C2=CSC=C2)=N1	REAL300010555121	0	34	-2.0	-113.70	315.51	6.78	-106.92
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC=C1OC1=CC=CN=C1	REAL300010555122	0	41	-2.0	-120.92	342.39	7.90	-113.02
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CSC(C2CCCC2)=N1	REAL300010555123	0	40	-2.0	-113.85	330.14	7.32	-106.53
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(Br)C=C1Cl	REAL300010555124	0	31	-2.0	-103.22	297.10	7.82	-95.40
COCCS(=O)(=O)CCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555125	0	40	-2.0	-114.83	336.89	1.67	-113.16
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CN2C=C(Cl)C=C(Cl)C2=N1	REAL300010555127	0	34	-2.0	-112.98	320.51	8.39	-104.59
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010555128	0	37	-2.0	-109.46	309.46	5.35	-104.11
CN1C2=CC=CC=C2N=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555129	0	37	-2.0	-116.70	306.96	7.18	-109.52
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)C1=CC=C(Br)C=C1	REAL300010555130	0	35	-2.0	-106.03	302.53	5.31	-100.72
CC(C)N1N=CC2=CC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=CN=C21	REAL300010555131	0	42	-2.0	-108.34	341.65	6.87	-101.47
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010555132	0	36	-3.0	-196.04	319.88	3.83	-192.21
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC2=CC=CC=C2S(=O)(=O)N1	REAL300010555132	1	37	-2.0	-119.34	323.32	3.73	-115.61
CC(C)CC1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010555133	0	43	-2.0	-108.23	335.93	8.94	-99.29
COC1=CC=CC(S(=O)(=O)CCN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010555134	0	41	-2.0	-113.12	347.33	3.51	-109.61
CN1C2=CC=CC=C2N=C1CCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555135	0	40	-2.0	-116.32	325.00	7.46	-108.86
CCN1C2=CC=CC(F)=C2N=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555136	0	40	-2.0	-116.24	329.63	7.92	-108.32
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300010555137	0	40	-2.0	-112.23	350.50	6.53	-105.70
CN(C)S(=O)(=O)CCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555138	0	38	-2.0	-112.37	316.72	2.20	-110.17
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC(C2=CC=C3OCOC3=C2)=NO1	REAL300010555139	0	39	-2.0	-115.12	337.66	4.21	-110.91
O=C([O-])C1CCC(C(=O)[O-])N1CCCSC1=CC=CC=C1Cl	REAL300010555140	0	38	-2.0	-107.89	333.88	8.86	-99.03
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NN=NN1C1=CC=CC=C1Br	REAL300010555141	0	36	-2.0	-112.43	332.00	7.09	-105.34
CS(=O)(=O)CC1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010555142	0	40	-2.0	-120.40	339.76	4.47	-115.93
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300010555143	0	45	-2.0	-118.05	370.30	10.05	-108.00
COC1=CC=C(C(C)C)C=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555144	0	44	-2.0	-115.76	348.20	7.91	-107.85
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC2=C1OC(F)(F)O2	REAL300010555145	0	34	-2.0	-114.43	299.66	5.82	-108.61
O=C([O-])C1CCC(C(=O)[O-])N1CCCC1=C(F)C=CC=C1F	REAL300010555146	0	37	-2.0	-113.13	310.15	8.01	-105.12
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(OCC(F)(F)F)N=N1	REAL300010555147	0	36	-2.0	-106.36	323.22	3.59	-102.77
O=C([O-])C1CCC(C(=O)[O-])N1CCCOC1=CC2=CC=CC=C2C=C1	REAL300010555148	0	44	-2.0	-110.23	354.56	9.06	-101.17
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=C(C(F)(F)F)C=C1	REAL300010555149	0	38	-2.0	-101.78	322.65	7.73	-94.05
O=C([O-])C1CCC(C(=O)[O-])N1CCCCCN1N=NC(C2=CC=CC=C2)=N1	REAL300010555150	0	48	-2.0	-110.38	394.39	8.38	-102.00
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC=CN1CC(F)(F)F	REAL300010555151	0	34	-2.0	-106.87	301.16	6.26	-100.61
CC(C)OC1=CC=C([N+](=O)[O-])C=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555152	0	43	-2.0	-109.44	356.44	8.26	-101.18
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CC(C)(C)C1=CC=CC(OCCCN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010555154	0	50	-2.0	-109.09	384.73	9.10	-99.99
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O=C([O-])C1CCC(C(=O)[O-])N1CCS(=O)(=O)C1=CC=CC=C1	REAL300010555230	0	37	-2.0	-111.56	317.28	4.20	-107.36
CC(C)(C)C1=CC=C(S(=O)(=O)CCN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010555231	0	49	-2.0	-111.37	394.05	6.53	-104.84
O=C([O-])C1CCC(C(=O)[O-])N1CCS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010555232	0	39	-2.0	-103.37	346.07	4.88	-98.49
COC1=CC=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1Cl	REAL300010555233	0	35	-2.0	-112.37	303.02	6.48	-105.89
COC(CN1C(C(=O)[O-])CCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300010555234	0	38	-2.0	-103.67	305.20	6.73	-96.94
CS(=O)(=O)C1=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300010555235	0	34	-2.0	-106.43	301.86	2.01	-104.42
CC1=CC(Br)=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300010555236	0	34	-2.0	-103.79	313.73	8.30	-95.49
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(F)C(Cl)=C1	REAL300010555237	0	31	-2.0	-98.85	276.68	6.79	-92.06
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CN=C1C(F)(F)F	REAL300010555238	0	33	-2.0	-110.34	280.83	6.74	-103.60
COCCOCCOCCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555239	0	45	-2.0	-112.11	362.75	3.79	-108.32
O=C([O-])C1CCC(C(=O)[O-])N1C(F)(F)COS(=O)(=O)C(F)(F)F	REAL300010555240	0	31	-2.0	-99.22	296.83	1.93	-97.29
COC1=CC=C(C2=NOC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=C2)C=C1	REAL300010555241	0	41	-2.0	-113.38	344.63	7.18	-106.20
COC(CC1=CC=C(F)C=C1)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555242	0	41	-2.0	-102.88	316.58	6.92	-95.96
CC(C)(C)N1N=NC(CCN2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300010555243	0	41	-2.0	-113.11	331.39	4.92	-108.19
CNS(=O)(=O)C1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010555244	0	39	-2.0	-110.40	331.33	2.42	-107.98
COC1=CC=CC=C1OCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555245	0	39	-2.0	-114.74	313.19	6.46	-108.28
O=C([O-])C1CCC(C(=O)[O-])N1CCCCC1=CC=CC(Cl)=C1	REAL300010555246	0	40	-2.0	-105.52	338.31	9.26	-96.26
O=C([O-])C1CCC(C(=O)[O-])N1CCC1CCC2=CC=CC=C21	REAL300010555247	0	41	-2.0	-115.39	323.83	9.32	-106.07
O=C([O-])C1CCC(C(=O)[O-])N1CC1=COC(C2=CC(Cl)=CC(Cl)=C2)=N1	REAL300010555248	0	37	-2.0	-110.54	350.12	6.66	-103.88
CN1C(=O)C=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])N(C)C1=O	REAL300010555249	0	37	-2.0	-101.64	300.95	6.40	-95.24
O=C([O-])C1CCC(C(=O)[O-])N1CC(=O)NCC1=CC=CN=C1	REAL300010555250	0	37	-2.0	-110.67	313.13	4.01	-106.66
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300010555251	0	37	-2.0	-97.58	332.88	8.28	-89.30
O=C([O-])C1CCC(C(=O)[O-])N1CC1=COC(C2=CC=CC=C2C(F)(F)F)=N1	REAL300010555252	0	40	-2.0	-120.53	346.42	6.67	-113.86
COC1=CC=CC=C1C1=NC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=CO1	REAL300010555253	0	41	-2.0	-124.16	343.88	5.85	-118.31
CCSC1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C(Br)=C1	REAL300010555254	0	38	-2.0	-107.53	337.76	8.92	-98.61
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CN=C(C2=CC=CC=C2)N=C1	REAL300010555255	0	39	-2.0	-108.62	324.04	7.44	-101.18
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC2=C1CCOC2	REAL300010555256	0	39	-2.0	-111.93	306.33	6.39	-105.54
O=C([O-])C1CCC(C(=O)[O-])N1CCCOC1=CC=C([N+](=O)[O-])C=C1	REAL300010555257	0	40	-2.0	-101.40	336.75	7.45	-93.95
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=NC(C2CC3=CC=CC=C3O2)=N1	REAL300010555258	0	44	-2.0	-113.53	366.04	7.75	-105.78
CC1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010555259	0	36	-2.0	-107.65	298.88	7.42	-100.23
CC1=CC(Br)=CC=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555260	0	34	-2.0	-103.58	297.58	8.24	-95.34
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCC(C2=CC=CC=C2)O1	REAL300010555261	0	42	-2.0	-120.25	336.47	8.11	-112.14
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCC2(CCOCC2)O1	REAL300010555262	0	43	-2.0	-115.76	331.59	5.19	-110.57
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCCC(C2=CC=CC=C2)O1	REAL300010555263	0	45	-2.0	-116.96	354.22	9.43	-107.53
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCC2(CCOCC2)CO1	REAL300010555264	0	46	-2.0	-113.71	337.08	5.95	-107.76
O=C([O-])C1CCC(C(=O)[O-])N1CCC1=CC=CC=C1Br	REAL300010555265	0	34	-2.0	-111.00	295.79	7.66	-103.34
COC1=CC=C([N+](=O)[O-])C=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555266	0	37	-2.0	-107.66	316.65	6.71	-100.95
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(C(F)(F)F)=CO1	REAL300010555267	0	31	-2.0	-105.48	281.78	6.01	-99.47
CC1=CC2=CC=C(C)C(CN3C(C(=O)[O-])CCC3C(=O)[O-])=C2C=C1	REAL300010555268	0	43	-2.0	-113.64	332.12	9.33	-104.31
COC1=CC=C2OC(CN3C(C(=O)[O-])CCC3C(=O)[O-])CC2=C1	REAL300010555269	0	40	-2.0	-113.38	323.60	5.86	-107.52
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(Cl)=CC2=CC=CC=C21	REAL300010555270	0	37	-2.0	-109.76	319.16	9.28	-100.48
CC(COCC1=CC=CC=C1)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555271	0	44	-2.0	-107.17	353.91	8.30	-98.87
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC2=CC=CC=C2C(Br)=C1	REAL300010555272	0	37	-2.0	-109.80	319.18	9.01	-100.79
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCC(C(F)(F)F)O1	REAL300010555273	0	35	-2.0	-113.05	298.89	5.67	-107.38
O=C([O-])C1CCC(C(=O)[O-])N1C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010555274	0	38	-2.0	-120.19	323.51	9.25	-110.94
CC(C)CC1=CC=CC=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555275	0	43	-2.0	-109.33	334.34	9.53	-99.80
CCC1=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010555276	0	43	-2.0	-113.34	329.37	9.74	-103.60
CCSC1=CC=CC=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555277	0	38	-2.0	-111.59	318.91	8.46	-103.13
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC2=C(C=C1Br)OCO2	REAL300010555278	0	34	-2.0	-106.72	304.03	5.81	-100.91
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(OCC2=CC=CC=C2F)C=C1	REAL300010555279	0	45	-2.0	-109.84	369.72	9.70	-100.14
CN1N=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010555280	0	34	-2.0	-109.27	301.33	5.33	-103.94
CN1N=C(C(F)(F)F)C=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555281	0	34	-2.0	-107.85	292.28	5.32	-102.53
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC(C(F)(F)F)=C1	REAL300010555282	0	34	-2.0	-105.34	298.51	7.72	-97.62
CN1N=C(C(F)(F)F)C=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555283	0	34	-2.0	-107.85	292.28	5.32	-102.53
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(N2CCOCC2)C=C1	REAL300010555284	0	44	-2.0	-109.10	338.73	5.09	-104.01
CCOC1=CC=CC=C1OCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555285	0	42	-2.0	-115.60	335.04	7.38	-108.22
O=C([O-])C1CCC(C(=O)[O-])N1CCCCOC1=CC=C(Br)C=C1	REAL300010555286	0	41	-2.0	-102.62	351.34	8.18	-94.44
O=C([O-])C1CCC(C(=O)[O-])N1C[C@@H](O)CCOCC1=CC=CC=C1	REAL300010555287	0	45	-2.0	-113.49	367.68	6.27	-107.22
CC1=CC=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1Br	REAL300010555288	0	34	-2.0	-107.13	296.34	7.78	-99.35
CC1=C(C(C)(C)C)SC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300010555289	0	42	-2.0	-118.69	334.42	6.81	-111.88
CC1(C)CC2=C(SC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=N2)C(C)(C)C1	REAL300010555290	0	49	-2.0	-120.32	389.00	8.91	-111.41
O=C([O-])C1CCC(C(=O)[O-])N1CCC1C2CC3CC(C2)CC1C3	REAL300010555291	0	48	-2.0	-117.93	336.30	9.18	-108.75
CC(C)OCC1=NOC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300010555292	0	39	-2.0	-113.24	330.29	3.27	-109.97
CN1N=NC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1C(F)F	REAL300010555293	0	33	-2.0	-116.00	283.23	3.71	-112.29
O=C([O-])C1CCC(C(=O)[O-])N1CC=CC1=CC=C(Br)C=C1	REAL300010555294	0	35	-2.0	-106.22	310.83	8.38	-97.84
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=NN1C1CCCC1	REAL300010555295	0	41	-2.0	-111.13	328.22	7.34	-103.79
O=C([O-])C1CCC(C(=O)[O-])N1CCSC1=CC=C(F)C=C1F	REAL300010555296	0	35	-2.0	-101.82	309.54	7.76	-94.06
O=C([O-])C1CCC(C(=O)[O-])N1CCC1=CC=CC=C1Br	REAL300010555297	0	34	-2.0	-111.00	295.79	7.66	-103.34
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=NN1CC(F)F	REAL300010555298	0	34	-2.0	-104.95	298.34	5.59	-99.36
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(N2C=CC=N2)N=C1	REAL300010555299	0	37	-2.0	-107.04	310.38	6.74	-100.30
O=C([O-])C1CCC(C(=O)[O-])N1CCCCCCCCCC1CC1	REAL300010555300	0	52	-2.0	-105.06	400.76	11.20	-93.86
CC(C)(C)OCC1=NC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300010555301	0	43	-2.0	-116.41	356.12	5.91	-110.50
O=C([O-])C1CCC(C(=O)[O-])N1CCC1=CC=C2OCCC2=C1	REAL300010555302	0	39	-2.0	-113.62	319.05	7.52	-106.10
C=CCC1=CC(C)=C(OCCCN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1C	REAL300010555303	0	51	-2.0	-109.52	400.47	10.01	-99.51
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC(C(F)(F)F)=N1	REAL300010555304	0	33	-2.0	-107.87	294.85	6.32	-101.55
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCC2(CCCCCC2)O1	REAL300010555305	0	48	-2.0	-115.09	347.87	7.75	-107.34
CN1C(CN2C(C(=O)[O-])CCC2C(=O)[O-])CCS1(=O)=O	REAL300010555306	0	36	-2.0	-111.75	283.90	2.78	-108.97
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCCC(C(F)(F)F)O1	REAL300010555307	0	38	-2.0	-111.44	312.98	6.86	-104.58
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1CCSCC1	REAL300010555308	0	39	-2.0	-109.47	319.55	6.26	-103.21
O=C([O-])C1CCC(C(=O)[O-])N1CC1=C(Br)C=CC=C1[N+](=O)[O-]	REAL300010555309	0	33	-2.0	-111.46	290.78	7.65	-103.81
COC1=CC=C(F)C=C1C1=CN=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010555310	0	44	-2.0	-110.97	364.35	7.53	-103.44
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC(C(F)(F)F)=N1	REAL300010555311	0	33	-2.0	-107.87	294.85	6.32	-101.55
CC1=CC=C(N2N=NN=C2CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1	REAL300010555312	0	39	-2.0	-112.44	324.18	7.37	-105.07
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(Br)=CC=C1F	REAL300010555313	0	31	-2.0	-108.30	286.47	7.30	-101.00
CCOC1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1F	REAL300010555314	0	38	-2.0	-106.37	311.67	6.52	-99.85
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)COC1=CC=CC(Cl)=C1	REAL300010555315	0	39	-2.0	-107.65	333.62	5.09	-102.56
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1CCS(=O)(=O)CC1	REAL300010555316	0	41	-2.0	-110.47	320.73	2.60	-107.87
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C2COCCC2=C1	REAL300010555317	0	39	-2.0	-114.30	311.94	6.72	-107.58
CCOCC1=NC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=CS1	REAL300010555318	0	37	-2.0	-115.10	321.82	4.76	-110.34
CCC1=CC=C([N+](=O)[O-])C=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555319	0	39	-2.0	-102.86	321.95	8.77	-94.09
CSC1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Cl	REAL300010555320	0	35	-2.0	-103.97	309.95	7.72	-96.25
CC(C)CC1=CC=CC=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555321	0	43	-2.0	-109.33	334.34	9.53	-99.80
CC1=CC=C([N+](=O)[O-])C=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555322	0	36	-2.0	-102.01	304.47	8.28	-93.73
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CSC(COCC(F)F)=N1	REAL300010555323	0	37	-2.0	-122.24	334.79	5.08	-117.16
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CSC(C2=CC3=CC=CC=C3O2)=N1	REAL300010555324	0	40	-2.0	-121.06	354.00	8.29	-112.77
COC(C)(C)C1=NOC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300010555325	0	39	-2.0	-116.06	321.70	2.50	-113.56
O=C([O-])C1CCC(C(=O)[O-])N1CC1CC2(CO1)CCCCC2	REAL300010555326	0	45	-2.0	-117.10	334.57	7.71	-109.39
CC1=CC=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300010555327	0	36	-2.0	-118.30	306.15	8.43	-109.87
O=C([O-])C1CCC(C(=O)[O-])N1CCSC1CCCCC1	REAL300010555328	0	41	-2.0	-108.35	323.27	8.07	-100.28
O=C([O-])C1CCC(C(=O)[O-])N1CCCOC1=CC=C(Br)C=C1F	REAL300010555329	0	38	-2.0	-115.21	340.65	7.96	-107.25
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCCC1C(F)(F)F	REAL300010555330	0	37	-2.0	-107.86	304.39	7.70	-100.16
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CN2C=CC=C(Br)C2=N1	REAL300010555331	0	34	-2.0	-119.99	308.33	8.00	-111.99
COC(CN1C(C(=O)[O-])CCC1C(=O)[O-])C1CCCOC1	REAL300010555332	0	42	-2.0	-110.07	314.16	4.19	-105.88
O=C([O-])C1CCC(C(=O)[O-])N1CCSC1CCOCC1	REAL300010555333	0	39	-2.0	-106.21	314.49	5.67	-100.54
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCCC12CCOCC2	REAL300010555334	0	45	-2.0	-112.85	326.58	6.69	-106.16
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC2=NC=CC=C2C=C1	REAL300010555335	0	36	-2.0	-117.54	295.83	6.62	-110.92
CCN1C=C(Br)C(CN2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300010555336	0	34	-2.0	-117.27	299.70	5.65	-111.62
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(Br)=CS1	REAL300010555337	0	28	-2.0	-105.09	269.74	6.47	-98.62
COC1=CC=CC=C1OCC(O)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555338	0	43	-2.0	-116.04	346.13	4.49	-111.55
O=C([O-])C1CCC(C(=O)[O-])N1CCCC1=CC=CC(OC(F)(F)F)=C1	REAL300010555339	0	41	-2.0	-104.31	346.07	7.76	-96.55
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCCC2(CCOC2)O1	REAL300010555340	0	43	-2.0	-113.35	320.90	4.71	-108.64
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CN2C=CC=C(F)C2=N1	REAL300010555341	0	34	-2.0	-122.99	293.45	7.50	-115.49
CC(C)(C)C1=CN=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010555342	0	42	-2.0	-107.57	326.23	6.75	-100.82
CC(C)(C)C1=CN=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010555343	0	42	-2.0	-107.57	326.23	6.75	-100.82
O=C([O-])C1CCC(C(=O)[O-])N1CCOC1=CC=C2OCOC2=C1	REAL300010555344	0	38	-2.0	-106.93	310.01	5.39	-101.54
O=C([O-])C1CCC(C(=O)[O-])N1CC1COC2=CC=C(Br)C=C21	REAL300010555345	0	36	-2.0	-107.98	317.90	7.56	-100.42
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NOC(C2=CC3=CC=CC=C3C=C2)=C1	REAL300010555346	0	43	-2.0	-118.55	361.05	10.15	-108.40
O=C([O-])C1CCC(C(=O)[O-])N1CCCOCC1=CC=CC=C1	REAL300010555347	0	41	-2.0	-108.50	334.10	7.24	-101.26
O=C([O-])C1CCC(C(=O)[O-])N1CCC1=CC(F)=CC=C1Br	REAL300010555348	0	34	-2.0	-107.15	301.17	7.69	-99.46
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC2=C(CCCCC2)S1	REAL300010555349	0	40	-2.0	-120.83	323.81	7.07	-113.76
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010555350	0	45	-2.0	-112.80	355.43	8.09	-104.71
O=C([O-])C1CCC(C(=O)[O-])N1CC1CC2(CO1)CCOCC2	REAL300010555351	0	43	-2.0	-114.15	325.72	5.18	-108.97
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NN=C(C2CC2)N1C1=CC=CC=C1	REAL300010555352	0	44	-2.0	-120.16	367.95	10.20	-109.96
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC2=C(CCCC2)S1	REAL300010555353	0	37	-2.0	-118.36	306.58	6.51	-111.85
CCN1N=CC(Br)=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555354	0	34	-2.0	-105.85	297.70	5.73	-100.12
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C2CCOCC2=C1	REAL300010555355	0	39	-2.0	-108.44	308.39	6.34	-102.10
CC1CCC2=C(C1)SC(CN1C(C(=O)[O-])CCC1C(=O)[O-])=N2	REAL300010555356	0	40	-2.0	-118.40	327.29	7.11	-111.29
CC1(C)CCC2=C(C1)SC(CN1C(C(=O)[O-])CCC1C(=O)[O-])=N2	REAL300010555357	0	43	-2.0	-119.66	342.24	7.42	-112.24
CC(C)(C)C1=NC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=N1	REAL300010555358	0	41	-2.0	-105.53	326.56	6.12	-99.41
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CSC(C2=CC=CC=C2Cl)=N1	REAL300010555359	0	37	-2.0	-118.40	334.78	8.15	-110.25
CC1=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C(C(F)(F)F)=CO1	REAL300010555360	0	34	-2.0	-104.34	290.19	5.84	-98.50
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CSC(C2=CC=CC=C2)=N1	REAL300010555361	0	37	-2.0	-116.49	324.49	7.84	-108.65
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300010555362	0	37	-2.0	-111.77	331.74	8.40	-103.37
O=C([O-])C1CCC(C(=O)[O-])N1CCC1=CC=CC(C(F)(F)F)=C1	REAL300010555363	0	37	-2.0	-106.07	317.63	8.20	-97.87
O=C([O-])C1CCC(C(=O)[O-])N1CCC1=CC=CC(C(F)(F)F)=C1	REAL300010555364	0	37	-2.0	-106.07	317.63	8.20	-97.87
COC1=CC=CC=C1[C@@H](O)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555365	0	39	-2.0	-123.22	322.34	4.15	-119.07
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NOC(C2=CC=C3OCCOC3=C2)=C1	REAL300010555366	0	43	-2.0	-117.63	359.52	7.04	-110.59
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C2CCOCC2=C1	REAL300010555367	0	39	-2.0	-108.44	308.39	6.34	-102.10
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C2COCCC2=C1	REAL300010555368	0	39	-2.0	-114.30	311.94	6.72	-107.58
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CN1N=NC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1C(F)(F)F	REAL300010555370	0	33	-2.0	-112.68	293.71	4.24	-108.44
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CC1=CC=NC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1Br	REAL300010555376	0	33	-2.0	-109.37	292.49	6.20	-103.17
O=C([O-])C1CCC(C(=O)[O-])N1CCC1(C(F)(F)F)CCC1	REAL300010555377	0	37	-2.0	-106.06	297.35	6.87	-99.19
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC(I)=C1	REAL300010555378	0	31	-2.0	-105.38	287.23	7.80	-97.58
O=C([O-])C1CCC(C(=O)[O-])N1CC(CC(F)F)C1=CC=CC=C1	REAL300010555379	0	40	-2.0	-104.96	317.68	10.81	-94.15
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCC2(CC2(F)F)CC1	REAL300010555380	0	41	-2.0	-106.96	316.33	8.31	-98.65
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC(C2=CC=C(F)C=C2)=CS1	REAL300010555381	0	37	-2.0	-113.75	327.55	7.60	-106.15
CC1=CC(Cl)=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1Br	REAL300010555382	0	34	-2.0	-105.39	313.85	8.31	-97.08
O=C([O-])C1CCC(C(=O)[O-])N1CCOCCOCC1=CC=CC=C1	REAL300010555383	0	45	-2.0	-120.95	375.67	7.39	-113.56
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NOC2=C1CCCCC2	REAL300010555384	0	40	-2.0	-116.70	314.31	7.39	-109.31
O=C([O-])C1CCC(C(=O)[O-])N1CCC1CCCC(C(F)(F)F)C1	REAL300010555385	0	43	-2.0	-112.45	334.50	8.49	-103.96
O=C([O-])C1CCC(C(=O)[O-])N1CCCOC1=CC=C(F)C=C1Br	REAL300010555386	0	38	-2.0	-112.75	339.95	8.00	-104.75
CS(=O)(=O)C1=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])SC=C1	REAL300010555387	0	34	-2.0	-98.03	289.59	4.24	-93.79
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NN=NN1C1=CC=C(F)C=C1	REAL300010555388	0	36	-2.0	-106.81	319.55	6.28	-100.53
CC(C)=C(Br)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555389	0	31	-2.0	-102.56	264.04	5.83	-96.73
CC(C)(C)OCCCCCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555390	0	49	-2.0	-105.40	372.44	7.67	-97.73
CC(C)C(O)(CN1C(C(=O)[O-])CCC1C(=O)[O-])C(F)(F)F	REAL300010555391	0	37	-2.0	-97.98	275.90	5.73	-92.25
CCCC(O)(CN1C(C(=O)[O-])CCC1C(=O)[O-])C(F)(F)F	REAL300010555392	0	37	-2.0	-102.10	292.89	5.85	-96.25
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)CC1=CC=CC(F)=C1	REAL300010555393	0	38	-2.0	-106.98	311.56	5.39	-101.59
CCCCCOCC(O)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555394	0	44	-2.0	-108.00	347.02	4.36	-103.64
CC1=CC(CC(O)CN2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1F	REAL300010555395	0	41	-2.0	-105.28	331.86	6.02	-99.26
O=C([O-])C1CCC(C(=O)[O-])N1CC1CCCCC1C(F)(F)F	REAL300010555396	0	40	-2.0	-106.67	303.61	7.82	-98.85
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300010555397	0	34	-2.0	-98.39	298.41	7.29	-91.10
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CSC(C(F)(F)F)=C1	REAL300010555398	0	31	-2.0	-99.37	285.81	6.41	-92.96
O=C([O-])C1CCC(C(=O)[O-])N1CC1=C(C(F)(F)F)SC=C1	REAL300010555399	0	31	-2.0	-106.24	279.46	7.44	-98.80
O=C([O-])C1CCC(C(=O)[O-])N1CC1=C(Br)C=CC(Cl)=C1F	REAL300010555400	0	31	-2.0	-105.47	292.25	7.23	-98.24
CC(C)N1C2=CC=C(Cl)C=C2N=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555401	0	43	-2.0	-112.74	355.05	8.76	-103.98
CC(C)(C)OCCCCCCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555402	0	52	-2.0	-106.36	393.94	8.45	-97.91
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NOC(CC2=CC=CC=C2)=C1	REAL300010555403	0	40	-2.0	-113.37	338.39	8.75	-104.62
CC1=CC(Br)=CC(C)=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555404	0	37	-2.0	-101.72	306.32	8.11	-93.61
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CSC=C1C(F)(F)F	REAL300010555405	0	31	-2.0	-105.86	279.36	7.09	-98.77
CC1=NC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1Br	REAL300010555406	0	33	-2.0	-108.03	294.08	6.34	-101.69
COC1=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=CC=C1OC(F)F	REAL300010555407	0	39	-2.0	-110.02	323.22	5.74	-104.28
O=C([O-])C1CCC(C(=O)[O-])N1C[C@@H]1CC=CC[C@H]1C(F)(F)F	REAL300010555408	0	38	-2.0	-112.02	297.69	7.30	-104.72
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300010555409	0	44	-2.0	-109.74	359.21	10.89	-98.85
COC1=CC=C(F)C=C1C(O)CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555410	0	39	-2.0	-113.67	317.33	4.79	-108.88
CC(C)(C)OCCCCCN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555411	0	46	-2.0	-106.25	350.94	6.89	-99.36
O=C([O-])C1CCC(C(=O)[O-])N1CC(O)C1CCCC2=CC=CC=C21	REAL300010555412	0	45	-2.0	-121.57	336.98	7.70	-113.87
O=C([O-])C1CCC(C(=O)[O-])N1CCC(C1=CC=CC=C1)C(F)F	REAL300010555413	0	40	-2.0	-112.98	321.05	8.40	-104.58
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NN(CC2=CC=CC=C2)C=C1	REAL300010555414	0	41	-2.0	-118.81	344.35	8.38	-110.43
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(C2=CC=CC=C2)=NN1	REAL300010555415	0	38	-2.0	-113.98	320.69	6.70	-107.28
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(Cl)=CC(Br)=C1	REAL300010555416	0	31	-2.0	-99.69	294.44	7.54	-92.15
CC(F)(F)C1=CC=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=N1	REAL300010555417	0	36	-2.0	-107.59	308.49	6.98	-100.61
CC1=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CC=CC=C2C)O1	REAL300010555418	0	43	-2.0	-121.92	356.80	6.71	-115.21
CC1=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CC=C(Cl)C=C2)O1	REAL300010555419	0	40	-2.0	-113.43	354.69	6.80	-106.63
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NOC(C2CCCC2)=C1	REAL300010555420	0	40	-2.0	-115.22	322.48	7.62	-107.60
O=C([O-])C1CCC(C(=O)[O-])N1CC1=NC=CN=C1C(F)(F)F	REAL300010555421	0	32	-2.0	-111.83	284.02	4.75	-107.08
O=C([O-])C1CCC(C(=O)[O-])N1CCC1=CC=C(C(F)(F)F)C=C1	REAL300010555422	0	37	-2.0	-102.98	317.31	8.19	-94.79
O=C([O-])C1CCC(C(=O)[O-])N1CC1CC2(C1)CC(F)(F)C2	REAL300010555423	0	38	-2.0	-106.07	309.53	7.53	-98.54
COC1=NC2=CC=CC=C2C=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555424	0	40	-2.0	-119.07	333.63	5.65	-113.42
CC1=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])N=C(C2=CC=C(F)C=C2)O1	REAL300010555425	0	40	-2.0	-113.12	344.38	6.35	-106.77
CCCCSC1=CC=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010555426	0	44	-2.0	-112.07	364.13	10.15	-101.92
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CC(OCC2CC2)=C1	REAL300010555427	0	42	-2.0	-113.82	342.49	8.51	-105.31
CC1=CC(C(F)(F)F)=CC=C1CN1C(C(=O)[O-])CCC1C(=O)[O-]	REAL300010555428	0	37	-2.0	-102.75	312.76	7.99	-94.76
CCC1=CC=C(C2=NC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=C(C)O2)C=C1	REAL300010555429	0	46	-2.0	-118.85	380.86	7.71	-111.14
O=C([O-])C1CCC(C(=O)[O-])N1CC1CN(C2=CC=CC=C2)CCO1	REAL300010555430	0	44	-2.0	-116.43	345.91	6.37	-110.06
COCCCC1=CC=CC(CN2C(C(=O)[O-])CCC2C(=O)[O-])=C1	REAL300010555431	0	44	-2.0	-113.75	352.22	7.52	-106.23
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(C2=CC=CC(F)=C2F)=CC=C1F	REAL300010555432	0	41	-2.0	-121.19	358.79	10.53	-110.66
CC1=CC=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010555433	0	36	-2.0	-107.65	298.88	7.42	-100.23
CN1C=C(CN2C(C(=O)[O-])CCC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010555434	0	34	-2.0	-112.53	298.11	5.28	-107.25
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC(C(F)(F)F)=CS1	REAL300010555435	0	31	-2.0	-104.44	287.68	6.80	-97.64
O=C([O-])C1CCC(C(=O)[O-])N1CC1=CC=CN=C1Br	REAL300010555436	0	30	-2.0	-106.64	273.26	5.18	-101.46
CN1C2=C(C(=O)N(C)C1=O)N(CCCN1C(C(=O)[O-])CCC1C(=O)[O-])C=N2	REAL300010555437	0	46	-2.0	-116.78	376.58	8.19	-108.59
CC1=CC=C(C2=NC(CN3C(C(=O)[O-])CCC3C(=O)[O-])=CS2)C=C1	REAL300010555438	0	40	-2.0	-116.59	345.89	8.52	-108.07
CC(C)(C(=O)[O-])C(NCC1=NC2=CC=CC=C2S(=O)(=O)[N-]1)C1=CC=CC=C1	REAL300010558264	0	46	-2.0	-104.08	383.20	6.16	-97.92
O=C([O-])C1C2=CC=CC=C2C2(CC2)CN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010560672	0	45	-2.0	-114.31	364.29	5.78	-108.53
O=C([O-])C1=CC=C(CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C2CC2)C=C1	REAL300010564085	0	44	-2.0	-94.54	372.01	6.35	-88.19
O=C([O-])C[C@@H]1CCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010565166	0	37	-2.0	-98.10	315.39	3.26	-94.84
O=C([O-])C[C@H]1CCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010565650	0	37	-2.0	-95.31	315.09	3.27	-92.04
O=C([O-])C1CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC12CCC2	REAL300010567088	0	41	-2.0	-101.89	339.92	4.13	-97.76
O=C([O-])[C@]12CC[C@H]1CCN2CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010567817	0	38	-2.0	-112.31	315.80	3.58	-108.73
O=C([O-])C1=CN=C(C2CCCN2CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)N=C1	REAL300010568808	0	42	-2.0	-102.10	360.37	3.16	-98.94
O=C([O-])C12COC(CN1CC1=NC3=CC=CC=C3S(=O)(=O)[N-]1)C2	REAL300010571105	0	36	-2.0	-103.22	305.45	0.85	-102.37
CC1CCC(C(=O)[O-])N(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010577342	0	40	-2.0	-117.00	325.98	4.29	-112.71
O=C([O-])C1=CC=CC2=C1CN(CC1=NC3=CC=CC=C3S(=O)(=O)[N-]1)CCO2	REAL300010578432	0	42	-2.0	-104.70	357.76	4.93	-99.77
O=C([O-])C1=NN(C2CCN(CC3=NC4=CC=CC=C4S(=O)(=O)[N-]3)CC2)C=C1	REAL300010579748	0	44	-2.0	-96.39	374.37	4.31	-92.08
C=CCC1(C(=O)[O-])CCCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010581466	0	44	-2.0	-106.32	359.41	5.35	-100.97
O=C([O-])C1=CC2=C(CN(CC3=NC4=CC=CC=C4S(=O)(=O)[N-]3)CC2)S1	REAL300010582679	0	38	-2.0	-95.74	342.91	4.96	-90.78
C=CCC1(C(=O)[O-])CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1	REAL300010584508	0	44	-2.0	-98.90	358.13	4.97	-93.93
CC1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1C(=O)[O-]	REAL300010586841	0	37	-2.0	-109.42	317.15	3.68	-105.74
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010588758	0	44	-2.0	-108.45	347.60	5.54	-102.91
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O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN=NN1C1=CC=CC=C1)C2	REAL300010593341	1	40	-2.0	-128.13	333.49	7.29	-120.84
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COCC1=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300010593357	1	38	-2.0	-140.81	332.17	4.52	-136.29
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC(C3CCCC3)=NO1)C2	REAL300010593359	1	43	-2.0	-129.07	349.29	5.65	-123.42
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O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN=NN1CC1CCOCC1)C2	REAL300010593385	1	47	-2.0	-130.07	371.78	5.87	-124.20
CS(=O)(=O)CC1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593391	0	39	-2.0	-143.57	342.65	1.01	-142.56
COCCC1=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300010593392	0	40	-2.0	-130.62	334.19	3.29	-127.33
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN=NN1CC(F)(F)F)C2	REAL300010593397	0	36	-2.0	-132.23	316.55	5.71	-126.52
NS(=O)(=O)C1=CC(Cl)=CC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300010593418	1	40	-2.0	-141.15	352.12	3.19	-137.96
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC(CC3=CC=CC(F)=C3)=NO1)C2	REAL300010593436	1	43	-2.0	-126.12	366.84	7.32	-118.80
COCC1=NOC(C(C)N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593446	1	40	-2.0	-130.69	333.93	2.92	-127.77
COC(C)C1=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300010593456	1	41	-2.0	-137.00	352.20	5.24	-131.76
CC1=CC=CC=C1CC1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593457	1	46	-2.0	-128.15	374.90	7.87	-120.28
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC(C(F)(F)F)=CS1)C2	REAL300010593467	0	34	-2.0	-134.08	317.12	5.83	-128.25
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NOC(C3CCCCC3)=N1)C2	REAL300010593470	0	46	-2.0	-130.72	362.97	6.72	-124.00
CC(=O)C1=CC(F)=CC(C[NH+]2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1[O-]	REAL300010593517	1	41	-2.0	-123.44	340.49	10.13	-113.31
CC(C)COC(C)C1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593550	1	49	-2.0	-127.79	396.41	5.62	-122.17
COC(C)C1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593556	1	40	-2.0	-127.48	332.95	3.16	-124.32
CCC1=NN=C(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300010593572	1	36	-2.0	-126.55	311.93	5.02	-121.53
CN(C)S(=O)(=O)C1=CC=C(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300010593574	1	43	-2.0	-131.18	374.06	5.21	-125.97
CC1=CC(=O)[N-]C(C(C)[NH+]2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593577	1	40	-2.0	-136.46	322.76	6.47	-129.99
CCC1=CC(=O)[N-]C(C[NH+]2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593578	1	40	-2.0	-136.46	325.91	6.94	-129.52
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=CC=C(Br)C=C1F)C2	REAL300010593586	1	35	-2.0	-125.07	313.21	8.25	-116.82
CCSC(C)C1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593628	1	43	-2.0	-128.46	363.23	6.04	-122.42
CC(C1=NN=NN1C1CCCCC1)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593639	1	49	-2.0	-131.47	376.76	7.60	-123.87
CCCN1C(C)=NN=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593643	1	43	-2.0	-143.14	344.31	8.28	-134.86
CC(C)CN1N=CN=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593648	1	43	-2.0	-130.54	344.45	8.61	-121.93
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN=C(C3CC3)N1C1CC1)C2	REAL300010593651	1	45	-2.0	-139.90	365.73	9.83	-130.07
O=C([O-])C12CCC1(C(=O)[O-])CN(CCS(=O)(=O)C1=CC=CC=C1)C2	REAL300010593677	1	41	-2.0	-138.91	352.25	5.53	-133.38
CN1N=C(C2CC2)N=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593707	1	41	-2.0	-132.82	340.66	7.32	-125.50
CC(C1=NOC(C2=CC=CC=C2)=N1)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593708	1	43	-2.0	-136.90	357.09	6.80	-130.10
CC(C1=NN=NN1C1CC1)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593709	1	40	-2.0	-131.39	327.06	5.86	-125.53
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN=CN1C1=CC=CC=C1)C2	REAL300010593712	1	41	-2.0	-136.04	338.89	10.24	-125.80
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN=C3CCCCN13)C2	REAL300010593713	1	41	-2.0	-128.32	323.91	7.44	-120.88
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN(CC(F)(F)F)N=N1)C2	REAL300010593714	0	36	-2.0	-132.50	320.38	4.98	-127.52
CC(C)N1N=CN=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593715	1	40	-2.0	-124.98	320.05	7.06	-117.92
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN=C3CCCCCN13)C2	REAL300010593716	1	44	-2.0	-137.29	338.28	8.33	-128.96
CCCN1N=CN=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593717	1	40	-2.0	-130.48	326.04	7.81	-122.67
CC(C)(C)N1N=CN=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593719	1	43	-2.0	-135.06	335.95	8.12	-126.94
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC=NN1CCF)C2	REAL300010593722	1	37	-2.0	-129.46	311.14	7.19	-122.27
CC(C)C1=NN=C(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1	REAL300010593732	1	40	-2.0	-142.77	320.30	6.21	-136.56
CC(C)(C)C1=NN=C(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1	REAL300010593733	1	43	-2.0	-126.21	346.98	6.37	-119.84
CS(=O)(=O)C1=CC=C(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300010593744	1	38	-2.0	-136.63	332.51	3.19	-133.44
CN1C(Cl)=CN=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593778	0	35	-2.0	-132.59	303.10	6.32	-126.27
CCCCN1N=NN=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593785	1	42	-2.0	-130.53	341.56	6.45	-124.08
CCCN1N=NN=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593793	1	39	-2.0	-130.46	320.06	5.67	-124.79
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NOC(C3=CC=CC=C3)=N1)C2	REAL300010593806	1	40	-2.0	-132.95	338.52	6.54	-126.41
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NOC(C3CC3)=N1)C2	REAL300010593810	0	37	-2.0	-131.24	310.66	5.01	-126.23
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN=NN1CC1=CC=CC=C1)C2	REAL300010593812	1	43	-2.0	-131.25	354.85	8.21	-123.04
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC3=CC=CC=C3N1C(F)F)C2	REAL300010593822	1	41	-2.0	-139.08	346.15	8.52	-130.56
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC(COC3=CC=C(F)C=C3)=NO1)C2	REAL300010593824	1	44	-2.0	-130.14	380.20	5.96	-124.18
CC(C)CC1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593826	1	42	-2.0	-127.30	340.30	5.60	-121.70
CCCCC1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593827	1	42	-2.0	-126.96	343.51	5.80	-121.16
CC(C)C1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593829	1	39	-2.0	-127.11	321.34	4.70	-122.41
CCCC1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593830	1	39	-2.0	-128.20	326.90	4.75	-123.45
CC(C)(C)C1=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300010593834	0	42	-2.0	-131.86	340.90	5.32	-126.54
CCCC1=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300010593835	0	39	-2.0	-131.62	322.02	4.99	-126.63
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NOC(C3=CSC=C3)=N1)C2	REAL300010593837	1	37	-2.0	-134.74	333.87	5.16	-129.58
CC(C)(C)C1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593838	1	42	-2.0	-127.61	340.76	5.25	-122.36
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN=NN1C1CC1)C2	REAL300010593843	1	37	-2.0	-123.14	298.84	4.95	-118.19
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC(C3CC3)=NO1)C2	REAL300010593844	1	37	-2.0	-127.69	310.42	5.15	-122.54
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC(CC3=CC=CC=C3)=NO1)C2	REAL300010593889	1	43	-2.0	-127.96	360.43	7.25	-120.71
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC=CN1C(F)F)C2	REAL300010593924	1	35	-2.0	-134.44	296.82	6.32	-128.12
CC(C1=NN=NN1C1=CC=CC=C1)N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593935	1	43	-2.0	-132.91	347.01	7.27	-125.64
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN(C3=CC=CC=C3)N=C1)C2	REAL300010593947	1	41	-2.0	-130.73	341.86	7.80	-122.93
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=CC=C(S(=O)(=O)N3CCCC3)O1)C2	REAL300010593948	1	47	-2.0	-131.68	392.09	5.34	-126.34
CN(C)S(=O)(=O)C1=CC=C(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)O1	REAL300010593949	1	43	-2.0	-131.87	366.39	3.70	-128.17
CC1=CC=CC(C)=C1N1N=NN=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010593976	1	46	-2.0	-139.18	377.70	8.37	-130.81
CC(C)C1=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300010593983	0	39	-2.0	-130.66	321.34	4.82	-125.84
CCCCC1=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300010593984	0	42	-2.0	-131.74	343.52	5.77	-125.97
CC(C)CCC1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010593994	1	45	-2.0	-128.27	365.97	6.05	-122.22
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=CN3C=C(Cl)C=C(Cl)C3=N1)C2	REAL300010594024	1	38	-2.0	-143.90	352.72	9.23	-134.67
COC1=CC=CC(S(=O)(=O)CCN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300010594032	1	45	-2.0	-137.46	373.23	4.94	-132.52
CC(C)(C)N1N=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010594047	0	42	-2.0	-130.99	340.82	5.74	-125.25
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC=CN1CC(F)(F)F)C2	REAL300010594053	0	38	-2.0	-136.93	323.35	8.73	-128.20
COCCC1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010594060	1	40	-2.0	-127.29	339.08	3.05	-124.24
COCC1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010594092	1	37	-2.0	-128.84	312.69	2.61	-126.23
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN=C(C3CC3)S1)C2	REAL300010594116	1	37	-2.0	-127.70	314.86	6.17	-121.53
CCOC(C)C1=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300010594150	1	44	-2.0	-137.75	374.05	6.22	-131.53
CCOC(C)C1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010594151	1	43	-2.0	-127.86	354.81	4.12	-123.74
COCC1=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300010594152	0	37	-2.0	-133.07	312.70	2.51	-130.56
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC(CCC3=CC=CC=C3)=NO1)C2	REAL300010594153	1	46	-2.0	-128.96	386.81	7.77	-121.19
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC(CC3=CC=C(F)C=C3)=NO1)C2	REAL300010594155	1	43	-2.0	-126.87	366.84	7.32	-119.55
CC(C)C1=NN=C(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300010594165	1	39	-2.0	-127.05	325.90	5.92	-121.13
CS(=O)(=O)CC1=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300010594186	0	40	-2.0	-155.84	362.14	2.98	-152.86
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC(CC(F)(F)F)=NO1)C2	REAL300010594191	1	36	-2.0	-129.22	324.41	4.27	-124.95
O=C([O-])C12CCC1(C(=O)[O-])CN(CCS(=O)(=O)C1=CC=CC=C1)C2	REAL300010594210	1	41	-2.0	-138.91	352.25	5.53	-133.38
O=C([O-])C12CCC1(C(=O)[O-])CN(CCS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C2	REAL300010594212	1	43	-2.0	-135.52	371.98	6.31	-129.21
CS(=O)(=O)C1=CC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CO1	REAL300010594224	1	38	-2.0	-140.73	331.17	3.58	-137.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C(F)(F)COS(=O)(=O)C(F)(F)F)C2	REAL300010594229	0	35	-2.0	-129.75	327.31	2.74	-127.01
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NOC(C3CCC3)=N1)C2	REAL300010594242	0	40	-2.0	-132.31	332.04	5.25	-127.06
CC(C)(C)N1C=C(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300010594248	1	43	-2.0	-129.60	344.12	6.45	-123.15
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC(CC3CC3)=NO1)C2	REAL300010594252	1	40	-2.0	-127.48	332.13	5.79	-121.69
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC(C3CCC3)=NO1)C2	REAL300010594256	1	40	-2.0	-128.78	331.92	5.29	-123.49
CN1N=C(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010594297	0	38	-2.0	-128.32	328.00	5.90	-122.42
CN1N=C(C(F)(F)F)C=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010594299	1	38	-2.0	-124.94	324.93	5.81	-119.13
CN1N=C(C(F)(F)F)C=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010594301	1	38	-2.0	-124.94	324.93	5.81	-119.13
CC(C)OCC1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010594317	1	43	-2.0	-130.45	359.71	4.06	-126.39
CN1N=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C(F)F	REAL300010594319	1	37	-2.0	-127.23	309.31	4.55	-122.68
CC(C)(C)OCC1=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300010594331	1	47	-2.0	-142.50	388.33	6.63	-135.87
COC1=CC(C)=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010594344	1	40	-2.0	-131.89	331.12	4.31	-127.58
CC1=CC=C(N2N=NN=C2CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300010594345	1	43	-2.0	-127.72	354.90	7.96	-119.76
CCOCC1=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CS1	REAL300010594356	1	41	-2.0	-141.43	354.03	5.49	-135.94
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=CSC(COCC(F)F)=N1)C2	REAL300010594365	1	41	-2.0	-136.34	362.14	6.04	-130.30
COC(C)(C)C1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010594370	1	43	-2.0	-129.92	346.23	3.56	-126.36
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=CN3C=CC=C(Br)C3=N1)C2	REAL300010594380	1	38	-2.0	-134.77	335.59	9.08	-125.69
CCN1C=C(Br)C(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010594387	0	38	-2.0	-133.19	326.85	6.95	-126.24
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN=C3CCCN13)C2	REAL300010594393	1	38	-2.0	-130.07	305.28	7.37	-122.70
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN=C(C3CC3)N1C1=CC=CC=C1)C2	REAL300010594417	1	48	-2.0	-124.75	389.76	10.69	-114.06
CCN1N=CC(Br)=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010594420	1	38	-2.0	-128.50	326.46	6.39	-122.11
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=CN(C3CC3)N=N1)C2	REAL300010594439	1	38	-2.0	-129.49	313.89	6.03	-123.46
CN1N=NC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C(F)(F)F	REAL300010594455	0	37	-2.0	-132.32	316.09	5.21	-127.11
COCC1=CC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300010594478	1	38	-2.0	-127.91	320.08	4.65	-123.26
CS(=O)(=O)C1=C(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)SC=C1	REAL300010594484	0	38	-2.0	-135.74	330.66	5.16	-130.58
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NN=NN1C1=CC=C(F)C=C1)C2	REAL300010594485	1	40	-2.0	-126.16	339.94	7.35	-118.81
CC(C)C1=NOC(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010594509	1	39	-2.0	-127.11	321.34	4.70	-122.41
O=C([O-])C12CCC1(C(=O)[O-])CN(CC1=NC=CN=C1C(F)(F)F)C2	REAL300010594525	1	36	-2.0	-132.53	310.27	5.91	-126.62
CN1C=C([N+](=O)[O-])C(CN2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300010594549	1	37	-2.0	-138.37	316.96	6.35	-132.02
CN1C([N+](=O)[O-])=CN=C1CN1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300010594554	0	37	-2.0	-129.96	313.67	7.46	-122.50
CC1CCC(C(=O)[O-])CN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010595238	0	40	-2.0	-107.70	323.75	3.78	-103.92
O=C([O-])CC1CC2(CCC2)CN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010596600	0	44	-2.0	-99.35	362.47	5.02	-94.33
CC1=CC=CC2=C1CCN(CC1=NC3=CC=CC=C3S(=O)(=O)[N-]1)C2C(=O)[O-]	REAL300010597661	0	44	-2.0	-110.12	353.90	5.63	-104.49
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010598675	0	41	-2.0	-98.92	347.45	4.59	-94.33
O=C([O-])C1=CC2=C(C=C1F)CCN(CC1=NC3=CC=CC=C3S(=O)(=O)[N-]1)C2	REAL300010600114	0	41	-2.0	-96.83	351.40	5.19	-91.64
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010601129	0	38	-2.0	-116.75	309.82	4.20	-112.55
O=C([O-])C1(O)CCCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010601961	0	38	-2.0	-94.44	323.79	1.06	-93.38
COC1CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CCC1C(=O)[O-]	REAL300010603386	0	41	-2.0	-96.15	344.90	3.15	-93.00
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=NN2C2=CC=CC=C2)C1	REAL300010604106	0	39	-2.0	-118.02	325.65	6.41	-111.61
COC1=CC(C2=NOC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)=CC=C1C	REAL300010604110	1	46	-2.0	-119.27	378.97	6.10	-113.17
CC(C)S(=O)(=O)CCCN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604113	1	42	-2.0	-117.06	347.09	3.90	-113.16
CC(C)S(=O)(=O)CCN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604115	1	39	-2.0	-111.48	325.41	3.11	-108.37
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC=NN2C2=CC=CC=C2)C1	REAL300010604119	0	40	-2.0	-117.93	330.42	8.48	-109.45
COCC1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300010604120	0	37	-2.0	-110.21	323.93	3.82	-106.39
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3CCCC3)=NO2)C1	REAL300010604121	0	42	-2.0	-107.17	340.62	5.26	-101.91
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN(C3=CC=CC=C3)C=N2)C1	REAL300010604122	0	40	-2.0	-117.94	338.25	8.68	-109.26
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3CC3)=N2)C1	REAL300010604123	1	37	-2.0	-108.51	320.12	6.29	-102.22
CC(C1=NC=C(C(C)(C)C)O1)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604124	1	45	-2.0	-110.68	358.45	5.05	-105.63
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=C(C3=CC=CC=C3)S2)C1	REAL300010604126	1	39	-2.0	-115.67	343.77	7.07	-108.60
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NOC(C3=CC=CC=C3Cl)=C2)C1	REAL300010604129	1	40	-2.0	-108.78	355.51	8.64	-100.14
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300010604141	1	39	-2.0	-112.63	333.38	9.63	-103.00
CN1C=C(S(=O)(=O)NCCN2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300010604143	1	42	-2.0	-113.20	363.96	1.15	-112.05
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=NN2CC2CCOCC2)C1	REAL300010604146	0	46	-2.0	-116.19	350.14	4.07	-112.12
CC1=CC=NC(C2=NOC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)=C1	REAL300010604150	1	41	-2.0	-115.52	351.44	4.81	-110.71
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CN(C3=CC=C(Cl)C=C3)N=N2)C1	REAL300010604151	1	40	-2.0	-107.72	352.97	7.33	-100.39
CS(=O)(=O)CC1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604152	0	38	-2.0	-128.02	338.87	0.36	-127.66
COCCC1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300010604153	0	39	-2.0	-117.00	325.27	2.37	-114.63
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=NN2CC(F)(F)F)C1	REAL300010604155	0	35	-2.0	-99.50	305.63	3.91	-95.59
O=C([O-])C1CC(C(=O)[O-])CN(CC(O)C2=CC=C(F)C(Br)=C2)C1	REAL300010604164	1	38	-2.0	-105.44	339.32	5.46	-99.98
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3CCCCC3)=CS2)C1	REAL300010604166	1	46	-2.0	-111.85	371.91	8.18	-103.67
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3CC3)=CS2)C1	REAL300010604168	1	37	-2.0	-108.21	318.00	6.10	-102.11
NS(=O)(=O)C1=CC(Cl)=CC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300010604176	0	39	-2.0	-117.15	348.94	2.51	-114.64
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=C(Cl)C=C2Cl)C1	REAL300010604188	1	34	-2.0	-105.13	316.06	8.14	-96.99
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(CC3=CC=CC(F)=C3)=NO2)C1	REAL300010604194	0	42	-2.0	-114.42	357.90	6.69	-107.73
COC1=NC=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300010604196	1	37	-2.0	-111.94	320.47	4.27	-107.67
COC1=CC=CC=C1S(=O)(=O)CCCN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604198	1	47	-2.0	-117.83	392.04	5.46	-112.37
COCC1=NOC(C(C)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604202	0	39	-2.0	-109.90	326.33	2.12	-107.78
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(F)=CC(Br)=C2)C1	REAL300010604206	1	34	-2.0	-108.62	305.73	7.72	-100.90
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(Cl)=CC(Br)=C2)C1	REAL300010604207	1	34	-2.0	-108.87	316.05	8.16	-100.71
COC(C)C1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300010604212	0	40	-2.0	-112.28	343.33	4.68	-107.60
CC1=CC=CC=C1CC1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604213	0	45	-2.0	-117.20	365.85	7.57	-109.63
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C(F)(F)F)=CS2)C1	REAL300010604223	0	33	-2.0	-110.76	309.29	5.38	-105.38
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC=CN2C2=CC=CC=C2)C1	REAL300010604226	1	41	-2.0	-119.82	335.02	8.91	-110.91
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NOC(C3CCCCC3)=N2)C1	REAL300010604227	0	45	-2.0	-109.51	359.19	5.79	-103.72
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300010604228	1	34	-2.0	-108.89	311.49	8.06	-100.83
O=C([O-])C1CC(C(=O)[O-])CN(CCCS(=O)(=O)C2=CC=CC=C2)C1	REAL300010604239	1	43	-2.0	-115.38	365.42	5.65	-109.73
CC1=CC=C(S(=O)(=O)CCCN2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300010604240	1	46	-2.0	-115.26	386.83	6.33	-108.93
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=C(Cl)C=C2Cl)C1	REAL300010604261	1	34	-2.0	-105.13	316.06	8.14	-96.99
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300010604262	1	34	-2.0	-102.46	314.11	7.98	-94.48
O=C([O-])C1CC(C(=O)[O-])CN(CC2=C(F)C=CC=C2Cl)C1	REAL300010604263	1	34	-2.0	-110.48	300.41	7.40	-103.08
O=C([O-])C1CC(C(=O)[O-])CN(CC2=C(Cl)C=CC=C2Cl)C1	REAL300010604264	1	34	-2.0	-108.91	305.55	7.62	-101.29
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(Cl)=CC=C2OC(F)F)C1	REAL300010604267	1	38	-2.0	-112.63	327.08	7.32	-105.31
CC(=O)C1=CC(F)=CC(C[NH+]2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1[O-]	REAL300010604272	1	40	-2.0	-128.99	330.74	9.36	-119.63
O=C([O-])C1CC(C(=O)[O-])CN(CC2=C(Cl)C=CC=C2Cl)C1	REAL300010604283	1	34	-2.0	-108.91	305.55	7.62	-101.29
CC1=CC=CC(S(=O)(=O)CCCN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300010604287	1	46	-2.0	-115.25	386.83	6.32	-108.93
O=C([O-])C1CC(C(=O)[O-])CN(CC2=COC(C3=CC=C([N+](=O)[O-])C=C3)=N2)C1	REAL300010604290	1	42	-2.0	-107.13	368.75	6.18	-100.95
CC(C)COC(C)C1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604305	0	48	-2.0	-106.93	392.65	4.96	-101.97
COC(C)C1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604308	0	39	-2.0	-106.87	329.19	2.49	-104.38
CN1N=CC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C(F)(F)F	REAL300010604309	1	37	-2.0	-107.21	321.13	5.58	-101.63
COC1=CC=C2N=C(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)NC2=N1	REAL300010604320	1	40	-2.0	-109.24	337.24	3.51	-105.73
CN(C)S(=O)(=O)C1=CC=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300010604322	0	42	-2.0	-119.94	365.53	4.22	-115.72
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN(C3=CC=C(Cl)C=C3)C=C2)C1	REAL300010604323	1	41	-2.0	-109.60	358.89	8.65	-100.95
CC1=CC(=O)[N-]C(C(C)[NH+]2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604324	1	39	-2.0	-115.50	319.62	5.87	-109.63
CCC1=CC(=O)NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604325	1	39	-2.0	-108.72	324.01	5.21	-103.51
CCC1=CC(=O)[N-]C(C[NH+]2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604325	1	39	-2.0	-110.21	324.15	6.28	-103.93
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=C(Br)C=C2F)C1	REAL300010604329	0	34	-2.0	-111.80	303.53	7.37	-104.43
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC3=CC([N+](=O)[O-])=CC=C3N2)C1	REAL300010604337	1	39	-2.0	-105.77	338.51	6.43	-99.34
CN(C)S(=O)(=O)C1=CC=CC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300010604339	1	45	-2.0	-108.14	377.79	5.00	-103.14
CCOC1=CC=C(C2=NC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)C=C1	REAL300010604345	1	47	-2.0	-109.42	399.78	8.10	-101.32
COC1=CC=C(C2=NOC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)C=C1OC	REAL300010604347	1	47	-2.0	-109.78	393.25	5.25	-104.53
CC(C1=CN(C2=CC=CC=C2)N=N1)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604368	1	43	-2.0	-131.08	347.72	7.72	-123.36
CC1=CC(C)=CC(OCC2=NOC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)=C1	REAL300010604369	0	49	-2.0	-125.17	403.85	7.02	-118.15
CCSC(C)C1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604370	0	42	-2.0	-107.27	359.48	5.38	-101.89
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN3CCCCC3=C2)C1	REAL300010604375	1	41	-2.0	-113.03	327.23	6.18	-106.85
CC(C1=NN=NN1C1CCCCC1)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604378	0	48	-2.0	-126.00	368.64	6.72	-119.28
CCCN1C(C)=NN=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604381	0	42	-2.0	-108.95	335.96	7.15	-101.80
CC(C)CN1N=CN=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604386	0	42	-2.0	-109.57	340.65	7.76	-101.81
CC1=NC(C(F)(F)F)=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300010604387	1	36	-2.0	-115.51	321.66	6.28	-109.23
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=C(C3CC3)N2C2CC2)C1	REAL300010604389	0	44	-2.0	-123.55	357.03	8.97	-114.58
CC(C)(C)C1=CC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300010604391	1	42	-2.0	-107.43	342.11	7.10	-100.33
CN(C)S(=O)(=O)C1=CC=CC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300010604394	1	45	-2.0	-108.14	377.79	5.00	-103.14
CN1C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN=C1C1=CC=C(Cl)C=C1	REAL300010604400	1	43	-2.0	-109.29	365.60	8.79	-100.50
CN1C2=CC(Br)=CC=C2N=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604402	1	40	-2.0	-117.68	340.53	7.97	-109.71
O=C([O-])C1CC(C(=O)[O-])CN(CCS(=O)(=O)C2=CC=CC=C2)C1	REAL300010604422	0	40	-2.0	-111.11	343.92	4.87	-106.24
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300010604428	1	40	-2.0	-113.92	354.29	8.08	-105.84
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3=CC=CC=N3)=N2)C1	REAL300010604430	1	39	-2.0	-124.23	343.30	6.14	-118.09
COC1=CC=C(C2=NC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)C=C1	REAL300010604434	1	44	-2.0	-109.67	377.92	7.17	-102.50
CC(C)C1=CC=C(C2=NC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)C=C1	REAL300010604435	1	49	-2.0	-109.80	408.64	9.77	-100.03
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3=CC=CC=C3)=NO2)C1	REAL300010604436	1	39	-2.0	-119.87	329.41	6.04	-113.83
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CN3C=C(Cl)C=CC3=N2)C1	REAL300010604440	1	37	-2.0	-116.90	326.94	8.19	-108.71
CC1=CC=CC=C1C1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604441	1	42	-2.0	-120.27	344.78	6.92	-113.35
O=C([O-])C1CC(C(=O)[O-])CN(CC2=COC(C3=CC=CS3)=N2)C1	REAL300010604443	1	37	-2.0	-110.77	331.61	4.44	-106.33
CN1N=C(C2CC2)N=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604450	0	40	-2.0	-114.24	332.21	6.46	-107.78
CC(C1=NOC(C2=CC=CC=C2)=N1)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604451	0	42	-2.0	-112.90	352.07	5.69	-107.21
CC(C1=NN=NN1C1CC1)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604452	0	39	-2.0	-121.81	318.26	5.00	-116.81
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=CN2C2=CC=CC=C2)C1	REAL300010604455	0	40	-2.0	-119.32	331.98	9.21	-110.11
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=C3CCCCN23)C1	REAL300010604456	0	40	-2.0	-117.35	321.68	7.03	-110.32
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN(CC(F)(F)F)N=N2)C1	REAL300010604457	0	35	-2.0	-110.31	317.30	4.06	-106.25
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=C3CCCCCN23)C1	REAL300010604458	0	43	-2.0	-117.21	331.17	7.51	-109.70
CC(C)(C)N1N=CN=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604460	0	42	-2.0	-115.62	323.46	8.02	-107.60
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC=NN2CCF)C1	REAL300010604463	0	36	-2.0	-107.52	307.34	6.34	-101.18
COC1=CC=C(C2=NOC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)N=N1	REAL300010604469	1	41	-2.0	-122.23	352.04	1.33	-120.90
CC(C)(C)C1=NN=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)N1	REAL300010604472	0	42	-2.0	-108.72	341.54	6.01	-102.71
CC(C)(C)C1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN1	REAL300010604472	1	42	-2.0	-122.45	335.92	5.91	-116.54
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN(CCC3=CC=CC=C3)C=C2)C1	REAL300010604476	1	47	-2.0	-111.19	389.09	9.37	-101.82
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(CCC3=CC=CC=C3)=N2)C1	REAL300010604479	1	46	-2.0	-109.10	393.15	9.34	-99.76
CS(=O)(=O)C1=CC=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300010604480	1	37	-2.0	-118.26	326.44	2.64	-115.62
CC1=CC=C(C2=NC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)O1	REAL300010604489	1	40	-2.0	-121.13	352.31	6.88	-114.25
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3=CC=CS3)=N2)C1	REAL300010604492	1	37	-2.0	-110.43	339.80	6.90	-103.53
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3=CC=C(F)C=C3)=NO2)C1	REAL300010604493	1	39	-2.0	-115.27	335.82	6.12	-109.15
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC3=C(C=C2Br)OCO3)C1	REAL300010604501	1	37	-2.0	-106.90	327.59	6.25	-100.65
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3=CC=CS3)=NO2)C1	REAL300010604503	1	36	-2.0	-109.90	325.50	5.03	-104.87
CCC1=CC=C(C2=NC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)C=C1	REAL300010604506	1	46	-2.0	-116.99	390.77	9.45	-107.54
COC1=CC=C(C2=NOC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)C=C1	REAL300010604507	1	43	-2.0	-118.61	358.86	5.36	-113.25
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3=CC=C(Cl)C=C3)=NO2)C1	REAL300010604509	1	39	-2.0	-115.51	346.14	6.57	-108.94
CC(C)C1=CC=C(C2=NOC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)C=C1	REAL300010604510	1	48	-2.0	-119.54	389.58	7.97	-111.57
CN1C(Cl)=CN=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604514	0	34	-2.0	-109.27	300.43	5.85	-103.42
CCCCN1N=NN=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604521	0	41	-2.0	-115.96	328.14	5.32	-110.64
CCC1=CC=C(C2=NOC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)C=C1	REAL300010604522	1	45	-2.0	-119.75	372.30	7.49	-112.26
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3=CC=CC(Cl)=C3)=NO2)C1	REAL300010604523	1	39	-2.0	-118.43	346.17	6.55	-111.88
COC1=CC=C(C2=NOC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)C(OC)=C1	REAL300010604524	1	47	-2.0	-122.96	386.15	4.94	-118.02
COC1=CC=C(Br)C=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604529	1	38	-2.0	-113.73	328.99	7.19	-106.54
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NOC(C3=CC=CO3)=C2)C1	REAL300010604531	1	37	-2.0	-109.56	321.74	6.27	-103.29
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NOC(C3=CC=CS3)=C2)C1	REAL300010604534	1	37	-2.0	-114.23	330.26	7.28	-106.95
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3=CSC=C3)=NO2)C1	REAL300010604536	1	36	-2.0	-118.56	319.64	4.93	-113.63
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(COC3=CC=C(F)C=C3)=N2)C1	REAL300010604537	0	44	-2.0	-118.34	385.89	7.58	-110.76
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NOC(C3=CC=CC=C3)=N2)C1	REAL300010604543	0	39	-2.0	-121.53	329.59	5.62	-115.91
CC1=CC=C(OCC2=NC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)C=C1	REAL300010604545	0	47	-2.0	-121.86	400.89	8.19	-113.67
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=NN2CC2=CC=CC=C2)C1	REAL300010604549	0	42	-2.0	-109.54	353.74	6.82	-102.72
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=C(F)C=C2Br)C1	REAL300010604550	1	34	-2.0	-105.03	308.94	7.77	-97.26
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3=CC=CN=C3)=NO2)C1	REAL300010604552	1	38	-2.0	-119.36	324.42	4.25	-115.11
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3=CC=CC(C(F)(F)F)=C3)=NO2)C1	REAL300010604554	1	42	-2.0	-116.88	368.48	7.05	-109.83
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CN3C=CC=NC3=N2)C1	REAL300010604555	1	36	-2.0	-129.39	305.05	8.26	-121.13
CC(C1=NC(C2=CC=CN=C2)=NO1)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604556	1	41	-2.0	-109.32	347.00	4.42	-104.90
CC1=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C(C2=CC=CS2)O1	REAL300010604558	1	40	-2.0	-111.51	345.06	4.77	-106.74
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC3=CC=CC=C3N2C(F)F)C1	REAL300010604560	0	40	-2.0	-117.26	332.37	7.57	-109.69
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3=CC=CC=N3)=NO2)C1	REAL300010604561	1	38	-2.0	-115.72	329.96	4.15	-111.57
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(COC3=CC=C(F)C=C3)=NO2)C1	REAL300010604562	0	43	-2.0	-110.35	371.53	5.57	-104.78
CC(C)CC1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604565	0	41	-2.0	-106.13	336.54	4.80	-101.33
CCCCC1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604566	0	41	-2.0	-107.30	339.73	5.14	-102.16
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3=CC=CO3)=N2)C1	REAL300010604567	1	37	-2.0	-119.91	330.40	6.05	-113.86
CCCC1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300010604568	1	39	-2.0	-107.99	333.25	6.32	-101.67
CC(C)(C)C1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300010604569	0	41	-2.0	-119.68	331.98	4.40	-115.28
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NOC(C3=CSC=C3)=N2)C1	REAL300010604571	0	36	-2.0	-120.74	321.10	4.85	-115.89
CC(C)(C)C1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604572	0	41	-2.0	-117.23	331.82	4.61	-112.62
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3=CC=CO3)=NO2)C1	REAL300010604576	1	36	-2.0	-111.76	316.07	4.05	-107.71
CC(C)C1=NOC(C(C)N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604577	1	41	-2.0	-107.19	334.99	4.21	-102.98
CC(C1=NC(C2CC2)=NO1)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604578	1	39	-2.0	-107.73	324.09	4.66	-103.07
O=C([O-])C1CC(C(=O)[O-])CN(CC2=COC(C3=CC=CC(F)=C3)=N2)C1	REAL300010604579	1	40	-2.0	-109.03	347.01	5.58	-103.45
O=C([O-])C1CC(C(=O)[O-])CN(CC2=COC(C3=CC=CC(Cl)=C3)=N2)C1	REAL300010604580	1	40	-2.0	-108.80	357.33	6.02	-102.78
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=C(I)C=C2)C1	REAL300010604587	1	34	-2.0	-105.03	309.87	7.96	-97.07
COC1=CC=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1OC	REAL300010604589	1	41	-2.0	-111.47	338.71	5.39	-106.08
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(Cl)=CC=C2Cl)C1	REAL300010604590	1	34	-2.0	-105.17	315.01	8.04	-97.13
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(Cl)=CC=C2Cl)C1	REAL300010604591	1	34	-2.0	-105.17	315.01	8.04	-97.13
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(Cl)=CC=C2F)C1	REAL300010604594	1	34	-2.0	-105.80	306.27	7.59	-98.21
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=CC(Cl)=C2Cl)C1	REAL300010604596	1	34	-2.0	-106.85	314.39	8.11	-98.74
CC(C1=NC(C2=CC=CS2)=NO1)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604605	1	39	-2.0	-109.77	342.92	5.21	-104.56
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=C(Cl)C=C2F)C1	REAL300010604606	1	34	-2.0	-111.92	298.95	7.26	-104.66
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=CC(Cl)=C2F)C1	REAL300010604608	1	34	-2.0	-114.60	300.21	7.44	-107.16
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(CC3=CC=CC=C3)=NO2)C1	REAL300010604613	0	42	-2.0	-116.42	351.51	6.60	-109.82
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3=CC=C([N+](=O)[O-])C=C3)=NO2)C1	REAL300010604614	1	41	-2.0	-113.34	357.60	6.71	-106.63
CCOC1=CC=C(C2=NOC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)C=C1	REAL300010604617	1	46	-2.0	-118.48	380.72	6.28	-112.20
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(CC3=CC=C(Cl)C=C3)=N2)C1	REAL300010604619	1	43	-2.0	-117.86	387.77	9.22	-108.64
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(CC3=CC=CC=C3)=N2)C1	REAL300010604620	1	43	-2.0	-118.05	371.03	8.70	-109.35
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3=CC=CC([N+](=O)[O-])=C3)=NO2)C1	REAL300010604637	1	41	-2.0	-117.92	357.64	6.71	-111.21
O=C([O-])C1CC(C(=O)[O-])CN(CCS(=O)(=O)CC2=CC=CC=C2)C1	REAL300010604638	1	43	-2.0	-113.89	368.26	5.53	-108.36
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(NC3=CC=CC=C3)=N2)C1	REAL300010604640	1	42	-2.0	-116.23	358.62	7.56	-108.67
CC1=CC=C(NC2=NC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)C=C1	REAL300010604641	1	45	-2.0	-110.60	380.69	8.08	-102.52
CC1=CC=CC=C1NC1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300010604642	1	45	-2.0	-116.09	376.85	8.29	-107.80
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300010604643	1	40	-2.0	-113.89	364.61	8.53	-105.36
CCOC1=CC=C(C2=NC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)C=C1	REAL300010604644	1	47	-2.0	-109.42	399.78	8.10	-101.32
COC1=CC=CC=C1C1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300010604645	1	44	-2.0	-119.60	374.21	7.55	-112.05
COC1=CC=CC(C2=NC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)=C1	REAL300010604646	1	44	-2.0	-110.70	377.98	7.15	-103.55
CC(C1=NC2=CC=CC=C2N1C(F)F)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604649	1	43	-2.0	-126.36	354.57	8.67	-117.69
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC=CN2C(F)F)C1	REAL300010604650	0	34	-2.0	-121.31	292.19	5.81	-115.50
CC(C)(C)C1=CN=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300010604652	1	42	-2.0	-120.13	337.14	5.04	-115.09
CC(C1=NN=NN1C1=CC=CC=C1)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604661	0	42	-2.0	-121.08	339.14	6.35	-114.73
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CN=CC(Br)=C2)C1	REAL300010604664	1	33	-2.0	-111.12	293.52	5.78	-105.34
CC(C)C1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300010604666	1	39	-2.0	-108.17	331.47	6.10	-102.07
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3CCCCC3)=N2)C1	REAL300010604667	1	46	-2.0	-114.99	372.44	8.15	-106.84
CC1=CC=C(C2=NC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)O1	REAL300010604668	1	40	-2.0	-121.13	352.31	6.88	-114.25
CCCCC1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300010604670	1	42	-2.0	-115.37	354.10	7.23	-108.14
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN(C3=CC=CC=C3)N=C2)C1	REAL300010604671	0	40	-2.0	-111.19	337.79	6.76	-104.43
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=C(S(=O)(=O)N3CCCC3)O2)C1	REAL300010604672	0	46	-2.0	-112.79	388.57	4.39	-108.40
CN(C)S(=O)(=O)C1=CC=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300010604673	0	42	-2.0	-113.37	360.84	3.10	-110.27
CN1C2=CC=C(Cl)C=C2N=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604675	1	40	-2.0	-106.67	342.05	7.73	-98.94
CN1C=C(C2=NC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CS2)C=N1	REAL300010604676	1	40	-2.0	-112.92	353.14	5.65	-107.27
CCS(=O)(=O)C1=CC=C2OC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=NC2=C1	REAL300010604680	1	45	-2.0	-119.73	388.17	2.42	-117.31
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=NN2C2=CC=C(C(F)(F)F)C=C2)C1	REAL300010604684	0	42	-2.0	-114.18	362.83	6.95	-107.23
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(Br)=C3OCOC3=C2)C1	REAL300010604685	1	37	-2.0	-114.14	325.47	6.47	-107.67
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=NN2C2=CC=C(OC(F)F)C=C2)C1	REAL300010604700	0	43	-2.0	-117.84	363.36	5.51	-112.33
CC1=CC=CC(C)=C1N1N=NN=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604701	0	45	-2.0	-111.55	374.02	8.06	-103.49
CCCS(=O)(=O)CCN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604708	1	39	-2.0	-112.10	329.85	3.30	-108.80
CCCCC1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NO1	REAL300010604709	0	41	-2.0	-117.05	334.59	4.85	-112.20
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=C(Cl)C=C2Cl)C1	REAL300010604715	1	34	-2.0	-105.13	316.06	8.14	-96.99
O=C([O-])C1CC(C(=O)[O-])CN(CCCS(=O)(=O)C2=CC=C(F)C=C2)C1	REAL300010604716	1	43	-2.0	-113.26	371.82	5.72	-107.54
CC(C)CCC1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604718	0	44	-2.0	-107.32	357.30	5.66	-101.66
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN(C3=CC=CC=C3)C=C2)C1	REAL300010604726	1	41	-2.0	-112.42	342.16	8.13	-104.29
CC(C)CCC1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300010604729	1	45	-2.0	-115.55	371.66	7.75	-107.80
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN(C3=CC=CC(F)=C3)C=C2)C1	REAL300010604735	1	41	-2.0	-120.24	343.46	8.18	-112.06
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3=CSC=C3)=N2)C1	REAL300010604738	1	37	-2.0	-108.71	339.53	6.79	-101.92
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3CCCC3)=N2)C1	REAL300010604740	1	43	-2.0	-114.31	353.53	7.48	-106.83
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=C(Br)C=C2Cl)C1	REAL300010604741	1	34	-2.0	-105.08	320.63	8.25	-96.83
COCCS(=O)(=O)CCCN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604743	1	43	-2.0	-124.08	359.43	2.54	-121.54
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CN3C=C(Cl)C=C(Cl)C3=N2)C1	REAL300010604746	0	37	-2.0	-109.34	344.37	8.48	-100.86
CN1C2=CC=CC=C2N=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604749	1	40	-2.0	-122.70	320.24	7.39	-115.31
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010604752	0	39	-3.0	-192.92	337.63	4.12	-188.80
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC3=CC=CC=C3S(=O)(=O)N2)C1	REAL300010604752	1	40	-2.0	-117.61	345.80	3.86	-113.75
COC1=CC=CC(S(=O)(=O)CCN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300010604754	0	44	-2.0	-113.67	373.42	4.18	-109.49
CCN1C2=CC=CC(F)=C2N=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604756	1	43	-2.0	-124.42	354.93	8.59	-115.83
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3=CC=C4OCOC4=C3)=N2)C1	REAL300010604757	1	43	-2.0	-114.11	373.93	6.68	-107.43
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3=CC=C4OCOC4=C3)=NO2)C1	REAL300010604759	1	42	-2.0	-117.53	355.48	4.71	-112.82
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=CC3=C2OC(F)(F)O3)C1	REAL300010604766	1	37	-2.0	-116.57	318.91	6.17	-110.40
CC(C)(C)N1N=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604768	0	41	-2.0	-112.54	337.02	4.53	-108.01
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC=CN2CC(F)(F)F)C1	REAL300010604773	0	37	-2.0	-122.24	305.94	8.24	-114.00
CC(C)OC1=CC=C([N+](=O)[O-])C=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604774	1	46	-2.0	-112.09	381.22	8.72	-103.37
COCCC1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604780	0	39	-2.0	-105.84	330.41	2.66	-103.18
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NOC3=C2CCCC3)C1	REAL300010604786	1	40	-2.0	-120.54	312.82	6.84	-113.70
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3=COC=C3)=N2)C1	REAL300010604787	1	37	-2.0	-109.57	331.61	5.87	-103.70
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC=C(C3=CC=CS3)O2)C1	REAL300010604789	1	37	-2.0	-117.63	325.45	4.73	-112.90
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC3=CC([N+](=O)[O-])=CC=C3O2)C1	REAL300010604796	1	38	-2.0	-107.43	334.24	4.66	-102.77
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=CC(Cl)=C2Cl)C1	REAL300010604798	1	34	-2.0	-106.85	314.39	8.11	-98.74
CS(=O)(=O)C1=CC=CC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300010604801	1	40	-2.0	-110.61	342.89	4.52	-106.09
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=C(Cl)C=C2Br)C1	REAL300010604813	1	34	-2.0	-105.04	319.26	8.20	-96.84
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=C(C3CC3)S2)C1	REAL300010604818	0	36	-2.0	-113.59	316.84	5.62	-107.97
COC1=CC=C(Br)C=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604836	1	38	-2.0	-113.73	328.99	7.19	-106.54
CCOC(C)C1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300010604845	0	43	-2.0	-114.33	365.16	5.65	-108.68
CCOC(C)C1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604846	0	42	-2.0	-106.99	351.05	3.46	-103.53
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(CCC3=CC=CC=C3)=NO2)C1	REAL300010604847	0	45	-2.0	-118.29	374.05	7.57	-110.72
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(CC3=CC=C(F)C=C3)=NO2)C1	REAL300010604849	0	42	-2.0	-105.57	363.08	6.66	-98.91
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN(C3CCCC3)C=C2)C1	REAL300010604851	1	44	-2.0	-122.54	343.89	7.34	-115.20
CCC(CC)N1C=CC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604852	1	46	-2.0	-111.03	363.48	7.45	-103.58
CC(C1=NC(CC2=CC=CC=C2)=NO1)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604855	1	45	-2.0	-107.77	374.09	6.75	-101.02
CC(C1=NC(CC2=CC=C(Cl)C=C2)=NO1)N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604856	1	45	-2.0	-105.73	390.81	7.28	-98.45
CC(C)C1=NN=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300010604859	0	38	-2.0	-107.82	325.92	5.03	-102.79
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC3=CC=CN=C3S2)C1	REAL300010604862	1	35	-2.0	-112.20	310.62	4.89	-107.31
COC1=CC=CC=C1C1=CN=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300010604871	1	44	-2.0	-115.07	369.14	5.32	-109.75
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(Br)=CC=C2Cl)C1	REAL300010604877	1	34	-2.0	-105.10	319.57	8.15	-96.95
CS(=O)(=O)CC1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300010604878	0	39	-2.0	-126.08	353.89	2.30	-123.78
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(CC(F)(F)F)=NO2)C1	REAL300010604883	0	35	-2.0	-104.74	315.76	3.87	-100.87
O=C([O-])C1CC(C(=O)[O-])CN(CCS(=O)(=O)C2=CC=CC=C2)C1	REAL300010604896	0	40	-2.0	-111.11	343.92	4.87	-106.24
CC(C)(C)C1=CC=C(S(=O)(=O)CCN2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300010604897	0	52	-2.0	-110.45	420.14	7.20	-103.25
O=C([O-])C1CC(C(=O)[O-])CN(CCS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300010604898	0	42	-2.0	-109.48	372.16	5.54	-103.94
CS(=O)(=O)C1=CC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CO1	REAL300010604907	0	37	-2.0	-110.45	326.88	2.64	-107.81
CC1=CC(Br)=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Cl	REAL300010604908	1	37	-2.0	-105.34	337.84	8.89	-96.45
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=CN=C2C(F)(F)F)C1	REAL300010604910	1	36	-2.0	-120.84	305.93	7.62	-113.22
O=C([O-])C1CC(C(=O)[O-])CN(C(F)(F)COS(=O)(=O)C(F)(F)F)C1	REAL300010604912	0	34	-2.0	-100.39	319.76	2.12	-98.27
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NOC(C3CCC3)=N2)C1	REAL300010604921	0	39	-2.0	-119.36	318.24	4.43	-114.93
O=C([O-])C1CC(C(=O)[O-])CN(CC2=COC(C3=CC(Cl)=CC(Cl)=C3)=N2)C1	REAL300010604922	1	40	-2.0	-113.96	373.35	6.77	-107.19
CC(C)(C)N1C=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300010604926	0	42	-2.0	-109.69	340.08	5.41	-104.28
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C1	REAL300010604929	1	40	-2.0	-104.39	360.68	9.05	-95.34
O=C([O-])C1CC(C(=O)[O-])CN(CC2=COC(C3=CC=CC=C3C(F)(F)F)=N2)C1	REAL300010604930	1	43	-2.0	-113.73	370.38	6.51	-107.22
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(CC3CC3)=NO2)C1	REAL300010604931	0	39	-2.0	-108.00	328.38	5.13	-102.87
COC1=CC=CC=C1C1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CO1	REAL300010604932	1	44	-2.0	-114.90	367.88	5.69	-109.21
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC(C3CCC3)=NO2)C1	REAL300010604934	0	39	-2.0	-116.45	318.12	4.90	-111.55
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(C(F)(F)F)=CO2)C1	REAL300010604949	1	34	-2.0	-106.51	305.38	6.26	-100.25
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC3=C(CCCC3)O2)C1	REAL300010604951	1	40	-2.0	-112.64	323.31	4.78	-107.86
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=CN=C2[N+](=O)[O-])C1	REAL300010604960	1	35	-2.0	-114.73	300.41	7.63	-107.10
CC1=CC=C(F)C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1F	REAL300010604964	1	37	-2.0	-111.69	311.33	7.62	-104.07
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC3=C(C=C2Br)OCO3)C1	REAL300010604966	1	37	-2.0	-106.90	327.59	6.25	-100.65
CN1N=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010604968	0	37	-2.0	-110.32	324.44	5.59	-104.73
CN1N=C(C(F)(F)F)C=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604970	0	37	-2.0	-111.22	313.93	5.52	-105.70
CN1N=C(C(F)(F)F)C=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010604972	0	37	-2.0	-111.22	313.93	5.52	-105.70
CC1=C(C(C)(C)C)SC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604979	1	45	-2.0	-118.06	354.03	7.06	-111.00
CC1(C)CC2=C(SC(CN3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)C(C)(C)C1	REAL300010604980	1	52	-2.0	-112.62	405.54	8.95	-103.67
CC(C)(C)C1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CO1	REAL300010604981	1	42	-2.0	-109.01	343.11	4.32	-104.69
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NOC3=C2COCC3)C1	REAL300010604983	1	38	-2.0	-107.67	309.02	4.55	-103.12
CC(C)OCC1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010604984	0	42	-2.0	-110.69	351.04	3.67	-107.02
CN1N=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C(F)F	REAL300010604985	0	36	-2.0	-123.95	306.03	4.29	-119.66
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=NN2CC(F)F)C1	REAL300010604991	1	37	-2.0	-108.46	314.80	7.26	-101.20
CC(C)(C)OCC1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300010604995	0	46	-2.0	-119.79	379.46	6.07	-113.72
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=CC(C(F)(F)F)=N2)C1	REAL300010604998	1	36	-2.0	-107.18	318.18	6.21	-100.97
O=C([O-])C1CC(C(=O)[O-])CN(CC2=C(Br)C=CC=C2[N+](=O)[O-])C1	REAL300010605006	1	36	-2.0	-113.27	319.49	8.33	-104.94
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=CC(C(F)(F)F)=N2)C1	REAL300010605008	1	36	-2.0	-107.18	318.18	6.21	-100.97
COC1=CC(C)=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010605009	0	39	-2.0	-117.13	324.57	4.23	-112.90
CC1=CC=C(N2N=NN=C2CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300010605010	0	42	-2.0	-117.27	345.51	6.62	-110.65
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(Br)=CC=C2F)C1	REAL300010605011	1	34	-2.0	-105.67	310.83	7.69	-97.98
CCOCC1=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CS1	REAL300010605018	0	40	-2.0	-110.60	345.78	4.79	-105.81
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(COCC(F)F)=N2)C1	REAL300010605025	0	40	-2.0	-126.17	358.14	5.25	-120.92
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NC3=C(CCCC3)N2)C1	REAL300010605026	1	41	-2.0	-108.81	326.97	6.07	-102.74
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3=CC4=CC=CC=C4O3)=N2)C1	REAL300010605027	1	43	-2.0	-114.81	376.76	8.11	-106.70
COC(C)(C)C1=NOC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010605029	0	42	-2.0	-117.17	337.31	2.91	-114.26
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CN3C=CC=C(Br)C3=N2)C1	REAL300010605035	0	37	-2.0	-114.65	332.22	8.07	-106.58
CCN1C=C(Br)C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300010605042	0	37	-2.0	-119.96	319.33	5.98	-113.98
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(Br)=CS2)C1	REAL300010605043	1	31	-2.0	-104.61	294.41	6.77	-97.84
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CN3C=CC=C(F)C3=N2)C1	REAL300010605049	1	37	-2.0	-116.00	317.31	7.58	-108.42
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=C(C3CC3)N2C2=CC=CC=C2)C1	REAL300010605068	0	47	-2.0	-118.80	392.07	10.81	-107.99
CCN1N=CC(Br)=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010605070	0	37	-2.0	-107.90	322.72	5.75	-102.15
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3=CC=CC=C3Cl)=N2)C1	REAL300010605079	1	40	-2.0	-112.34	357.57	7.96	-104.38
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C3=CC=CC=C3)=N2)C1	REAL300010605084	1	40	-2.0	-117.00	347.87	8.01	-108.99
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NOC(C3=CC=C4OCCOC4=C3)=C2)C1	REAL300010605093	1	46	-2.0	-110.37	383.45	7.29	-103.08
CN1N=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C(F)(F)F	REAL300010605100	0	36	-2.0	-110.80	313.33	4.31	-106.49
CC1=C(S(C)(=O)=O)C=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)O1	REAL300010605101	1	40	-2.0	-123.01	343.68	3.35	-119.66
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300010605103	1	37	-2.0	-108.71	323.49	8.12	-100.59
CC1=CC=NC(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1Br	REAL300010605109	1	36	-2.0	-110.90	315.57	6.58	-104.32
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=CC(I)=C2)C1	REAL300010605115	1	34	-2.0	-104.05	309.97	8.10	-95.95
CC1=CC(Cl)=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1Br	REAL300010605122	1	37	-2.0	-105.52	338.03	8.81	-96.71
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NOC3=C2CCCCC3)C1	REAL300010605126	1	43	-2.0	-119.67	325.45	7.28	-112.39
CS(=O)(=O)C1=C(CN2CC(C(=O)[O-])CC(C(=O)[O-])C2)SC=C1	REAL300010605128	0	37	-2.0	-115.99	326.99	4.23	-111.76
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NN=NN2C2=CC=C(F)C=C2)C1	REAL300010605129	0	39	-2.0	-114.60	330.54	6.01	-108.59
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CC=C(F)C(C(F)(F)F)=C2)C1	REAL300010605139	1	37	-2.0	-102.41	326.54	8.06	-94.35
O=C([O-])C1CC(C(=O)[O-])CN(CC2=CSC(C(F)(F)F)=C2)C1	REAL300010605140	1	34	-2.0	-107.68	308.12	7.16	-100.52
O=C([O-])C1CC(C(=O)[O-])CN(CC2=C(C(F)(F)F)SC=C2)C1	REAL300010605141	1	34	-2.0	-106.51	309.81	7.88	-98.63
O=C([O-])C1CC(C(=O)[O-])CN(CC2=C(Br)C=CC(Cl)=C2F)C1	REAL300010605142	0	34	-2.0	-109.33	319.95	7.95	-101.38
CC(C)N1C2=CC=C(Cl)C=C2N=C1CN1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300010605143	1	46	-2.0	-119.92	377.71	9.33	-110.59
O=C([O-])C1CC(C(=O)[O-])CN(CC2=NOC(CC3=CC=CC=C3)=C2)C1	REAL300010605145	1	43	-2.0	-112.99	357.17	9.15	-103.84
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CC1(C(=O)[O-])CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CCO1	REAL300010679674	0	38	-2.0	-94.44	321.77	2.80	-91.64
CC(C)(C(=O)[O-])C1=CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1	REAL300010680747	0	44	-2.0	-97.03	356.95	5.02	-92.01
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CN1N=C(C(=O)[O-])C2=C1CCN(CC1=NC3=CC=CC=C3S(=O)(=O)[N-]1)C2	REAL300010686373	0	41	-2.0	-120.58	348.62	2.87	-117.71
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CC1(C(F)F)CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1C(=O)[O-]	REAL300010688035	0	40	-2.0	-105.21	336.46	3.52	-101.69
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CC1(C)C(C(=O)[O-])CCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010711359	0	40	-2.0	-95.80	326.39	3.53	-92.27
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CC1(C)CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC(C(=O)[O-])O1	REAL300010719863	0	41	-2.0	-107.71	342.82	3.60	-104.11
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O=C([O-])CC1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CCC1(F)F	REAL300010745868	0	43	-2.0	-96.26	347.93	5.01	-91.25
O=C([O-])CC1=CC=CC2=C1CN(CC1=NC3=CC=CC=C3S(=O)(=O)[N-]1)CC2	REAL300010747174	0	44	-2.0	-95.47	364.31	5.83	-89.64
O=C([O-])[C@H]1[C@@H](C(F)(F)F)CCCN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010748388	0	40	-2.0	-101.01	336.67	3.98	-97.03
O=C([O-])CN(CC1=CC=CO1)CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010750652	0	37	-2.0	-110.47	322.87	3.32	-107.15
O=C([O-])C1CCC2(CCOCC2)CN1CC1=NC2=CC=CC=C2S(=O)(=O)[N-]1	REAL300010751572	0	48	-2.0	-114.15	373.27	4.22	-109.93
O=C([O-])CCC1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010753138	0	40	-2.0	-94.34	338.02	4.02	-90.32
CCO[C@@H]1C[C@@H](C(=O)[O-])N(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010753954	0	41	-2.0	-108.47	351.49	2.94	-105.53
O=C([O-])[C@@H]1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C[C@H]1F	REAL300010756324	0	37	-2.0	-93.87	318.34	3.51	-90.36
O=C([O-])C1=CC(F)=CC2=C1CCN(CC1=NC3=CC=CC=C3S(=O)(=O)[N-]1)C2	REAL300010757319	0	41	-2.0	-89.73	352.92	5.55	-84.18
O=C([O-])COCC1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)CC1	REAL300010758577	0	44	-2.0	-95.24	369.20	4.32	-90.92
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010759735	0	40	-2.0	-100.07	339.62	4.83	-95.24
O=C([O-])C1=CC=CC=C1C1CCN(CC2=NC3=CC=CC=C3S(=O)(=O)[N-]2)C1	REAL300010764632	0	44	-2.0	-102.74	371.95	5.89	-96.85
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010766040	1	33	-2.0	-96.41	313.87	1.44	-94.97
CN(CC(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010766079	0	29	-2.0	-114.18	280.53	3.51	-110.67
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010766595	1	40	-2.0	-100.10	367.07	2.28	-97.82
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010766595	1	40	-2.0	-100.06	367.12	2.27	-97.79
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010766856	1	39	-2.0	-105.50	350.34	2.95	-102.55
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010767079	1	36	-2.0	-106.69	318.00	2.00	-104.69
CN(C)CCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010767121	1	43	-2.0	-103.02	353.31	2.86	-100.16
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010767171	1	38	-2.0	-101.05	339.84	3.77	-97.28
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010767176	1	36	-2.0	-109.83	338.67	3.59	-106.24
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010767262	1	36	-2.0	-106.69	318.00	2.00	-104.69
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010767455	1	40	-2.0	-113.04	351.22	3.09	-109.95
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(F)=C1	REAL300010772217	1	39	-2.0	-90.20	345.31	1.72	-88.48
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300010772314	0	36	-2.0	-93.85	330.76	4.05	-89.80
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300010772314	1	36	-2.0	-93.77	330.81	4.05	-89.72
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300010772528	1	34	-2.0	-91.06	314.27	1.36	-89.70
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010772589	0	35	-2.0	-90.59	314.11	4.57	-86.02
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010772812	0	32	-2.0	-91.80	281.53	3.65	-88.15
O=C([O-])C1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010772860	0	39	-2.0	-99.58	321.55	4.78	-94.80
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010772909	0	34	-2.0	-97.18	303.43	5.48	-91.70
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010772915	0	32	-2.0	-96.34	306.41	4.67	-91.67
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010772995	0	32	-2.0	-91.80	281.53	3.65	-88.15
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCCC1	REAL300010775002	1	31	-2.0	-122.33	290.86	5.18	-117.15
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C(C2=CC=CC=C2)O1	REAL300010775014	1	40	-2.0	-143.64	339.36	3.55	-140.09
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010775035	1	37	-2.0	-112.09	321.55	1.94	-110.15
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=N[N-]1	REAL300010775035	1	37	-2.0	-112.02	321.68	1.95	-110.07
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1	REAL300010775037	0	34	-2.0	-118.80	317.88	3.87	-114.93
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010775040	1	35	-2.0	-127.48	316.66	5.25	-122.23
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010775042	1	35	-2.0	-136.78	300.60	4.15	-132.63
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCCC1	REAL300010775047	1	28	-2.0	-119.54	287.66	4.72	-114.82
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010775056	1	34	-2.0	-148.10	295.60	1.91	-146.19
O=C([O-])C1([N-]S(=O)(=O)C2=NC=C(Br)C=N2)CCCC1	REAL300010775087	0	29	-2.0	-130.65	276.65	2.32	-128.33
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2Cl)CCCC1	REAL300010775090	1	30	-2.0	-136.91	272.18	3.21	-133.70
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010775095	1	40	-2.0	-106.20	339.50	1.80	-104.40
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CCCC1	REAL300010775099	0	30	-2.0	-136.14	285.18	3.34	-132.80
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CCCC1	REAL300010775124	1	33	-2.0	-139.68	288.58	3.82	-135.86
O=C([O-])C1([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)CCCC1	REAL300010775130	0	30	-2.0	-122.95	290.64	3.95	-119.00
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010775144	1	37	-2.0	-130.08	326.51	6.43	-123.65
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010775146	1	37	-2.0	-148.22	309.72	6.02	-142.20
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=NS2)CCCC1	REAL300010775152	0	27	-2.0	-120.77	270.01	2.89	-117.88
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2C(F)F)CCCC1	REAL300010775156	1	33	-2.0	-138.42	284.66	3.65	-134.77
O=C([O-])C1(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CCCC1	REAL300010775162	0	36	-2.0	-126.85	308.87	4.03	-122.82
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C=C1	REAL300010775241	1	31	-2.0	-97.67	307.34	5.04	-92.63
CN1C=NC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=C1Cl	REAL300010775258	1	31	-2.0	-107.03	309.91	4.26	-102.77
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1=CC=C(C(=O)[O-])C=C1	REAL300010775294	1	35	-2.0	-101.67	330.08	5.17	-96.50
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)O1	REAL300010775329	1	34	-2.0	-95.99	331.98	3.49	-92.50
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C=C1	REAL300010775332	0	33	-2.0	-112.22	318.42	6.43	-105.79
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C=C1	REAL300010775370	1	33	-2.0	-108.94	326.15	6.93	-102.01
CN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C(=O)N(C)C1=O	REAL300010775418	1	37	-2.0	-105.03	339.02	3.71	-101.32
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=C(C(=O)[O-])C=C1	REAL300010775434	1	37	-2.0	-112.29	345.28	3.29	-109.00
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1	REAL300010775462	1	33	-2.0	-103.18	327.71	6.81	-96.37
COC(=O)C1=COC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300010775514	1	34	-2.0	-99.88	332.32	3.43	-96.45
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)O1	REAL300010775549	1	37	-2.0	-96.16	353.85	4.41	-91.75
CCN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C([N+](=O)[O-])=N1	REAL300010775566	1	36	-2.0	-105.79	342.75	5.59	-100.20
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C=C1	REAL300010775567	1	33	-2.0	-107.86	325.85	6.10	-101.76
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300010775617	0	32	-2.0	-97.33	321.72	5.37	-91.96
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C=C1	REAL300010775632	1	32	-2.0	-107.87	308.25	5.46	-102.41
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C=C1	REAL300010775664	0	36	-2.0	-95.71	352.83	4.14	-91.57
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C=C1	REAL300010775664	1	36	-2.0	-95.68	352.89	4.13	-91.55
CC1=C(Br)SC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300010775669	0	30	-2.0	-96.02	320.78	2.92	-93.10
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C=C1	REAL300010775677	0	31	-2.0	-89.62	319.68	5.17	-84.45
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C=C1	REAL300010775687	1	30	-2.0	-97.78	311.40	4.13	-93.65
COC(=O)C1=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)SC=N1	REAL300010775723	0	33	-2.0	-104.88	329.48	3.09	-101.79
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1	REAL300010775753	1	30	-2.0	-92.51	313.61	4.45	-88.06
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C=C1	REAL300010775813	0	31	-2.0	-97.10	313.51	5.10	-92.00
CC1=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C(N)=NO1	REAL300010775843	1	32	-2.0	-92.64	298.87	2.09	-90.55
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C=C1	REAL300010775845	1	33	-2.0	-92.23	342.33	5.92	-86.31
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C=C1	REAL300010775847	1	33	-2.0	-89.43	338.60	5.80	-83.63
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300010775854	1	34	-2.0	-92.86	336.33	1.44	-91.42
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C=C1	REAL300010775878	1	31	-2.0	-100.74	314.78	5.56	-95.18
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1=CC=C(C(=O)[O-])C=C1	REAL300010775888	0	39	-2.0	-99.23	360.68	6.21	-93.02
N#CC1=CC=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)O1	REAL300010775906	1	29	-2.0	-93.44	296.36	3.22	-90.22
CC1=NC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=C(Br)N1C	REAL300010775913	1	34	-2.0	-107.86	333.90	4.17	-103.69
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C=C1	REAL300010775917	0	35	-2.0	-87.34	331.89	4.69	-82.65
CN1C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)=N1	REAL300010775948	1	34	-2.0	-100.87	332.43	3.60	-97.27
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C=C1	REAL300010775949	1	33	-2.0	-95.59	336.11	6.91	-88.68
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=C1F	REAL300010776046	1	37	-2.0	-101.65	357.26	5.43	-96.22
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)O1	REAL300010776056	1	37	-2.0	-96.75	349.88	4.07	-92.68
COC(=O)C1=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)OC=C1	REAL300010776068	0	34	-2.0	-108.06	328.70	3.72	-104.34
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300010776070	0	33	-2.0	-110.36	319.54	3.68	-106.68
CC1=NSC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300010776075	1	30	-2.0	-94.44	300.93	2.98	-91.46
CN1N=CC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=C1C(F)(F)F	REAL300010776121	1	34	-2.0	-96.02	326.77	3.34	-92.68
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1	REAL300010776131	0	32	-2.0	-88.50	299.56	3.75	-84.75
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=C(C(=O)[O-])C=C1	REAL300010776133	1	34	-2.0	-112.03	323.42	2.36	-109.67
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC1=CC=C(C(=O)[O-])C=C1	REAL300010776136	1	40	-2.0	-123.06	356.00	2.72	-120.34
O=C([O-])C1=CC=C(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010776171	0	39	-2.0	-101.91	339.76	4.73	-97.18
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1=CC=C(C(=O)[O-])C=C1	REAL300010776191	1	35	-2.0	-101.57	332.43	5.38	-96.19
CC1=CSC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300010776201	1	30	-2.0	-101.12	300.93	2.23	-98.89
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300010776219	0	34	-2.0	-99.55	321.36	5.40	-94.15
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300010776224	0	32	-2.0	-86.56	325.90	4.75	-81.81
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C=C1	REAL300010776243	1	35	-2.0	-88.45	348.89	6.03	-82.42
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1	REAL300010776310	0	32	-2.0	-88.50	299.56	3.75	-84.75
CC1=NC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=C(C2=CC=CC=C2)O1	REAL300010776336	1	40	-2.0	-108.15	366.76	3.89	-104.26
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300010776352	1	33	-2.0	-99.08	313.15	1.55	-97.53
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300010776360	1	37	-2.0	-91.95	351.35	2.73	-89.22
CCOC(=O)C1=CC(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=N[N-]1	REAL300010776360	1	37	-2.0	-91.86	351.45	2.74	-89.12
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300010776362	0	34	-2.0	-92.98	347.00	3.97	-89.01
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300010776366	1	35	-2.0	-102.68	330.43	4.27	-98.41
N#CC1=C(S(=O)(=O)[N-]CC2=CC=C(C(=O)[O-])C=C2)OC=C1	REAL300010776379	1	29	-2.0	-100.25	294.28	3.16	-97.09
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=C(C(=O)[O-])C=C1	REAL300010776380	1	34	-2.0	-112.03	323.42	2.36	-109.67
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300010776418	1	40	-2.0	-93.05	373.30	3.00	-90.05
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC1=CC=C(C(=O)[O-])C=C1	REAL300010776471	1	37	-2.0	-113.85	345.55	6.29	-107.56
O=C([O-])C1=CC=C(C[N-]S(=O)(=O)C2=C(Br)C=NS2)C=C1	REAL300010776476	1	27	-2.0	-91.08	296.36	3.12	-87.96
CC1=CC=C([O-])C(S(=O)(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300010776494	1	35	-2.0	-94.18	314.56	4.36	-89.82
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C=C1	REAL300010776495	0	36	-2.0	-93.15	343.12	5.04	-88.11
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1	REAL300010776866	1	36	-2.0	-102.70	328.99	1.43	-101.27
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010776962	0	33	-2.0	-115.76	306.98	3.11	-112.65
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010776962	1	33	-2.0	-115.77	307.03	3.10	-112.67
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010776980	0	43	-2.0	-112.91	371.96	2.01	-110.90
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010782002	1	30	-2.0	-120.83	297.66	5.03	-115.80
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010782014	1	32	-2.0	-124.52	306.48	6.11	-118.41
CC(C)[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010782019	0	30	-2.0	-130.66	287.17	4.28	-126.38
CC(C)[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010782031	1	32	-2.0	-109.76	322.05	4.82	-104.94
CC(C)[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010782052	0	32	-2.0	-122.50	313.18	5.02	-117.48
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010782053	1	32	-2.0	-112.16	314.41	4.32	-107.84
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010782054	1	30	-2.0	-121.29	293.32	5.12	-116.17
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)S1	REAL300010782060	1	33	-2.0	-106.51	310.52	-0.12	-106.63
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010782079	0	30	-2.0	-129.05	290.62	4.07	-124.98
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010782087	1	30	-2.0	-130.72	292.51	3.86	-126.86
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)=C(F)C=C1Cl	REAL300010782089	1	39	-2.0	-123.90	364.93	5.32	-118.58
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010782090	1	32	-2.0	-124.58	313.64	5.69	-118.89
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C	REAL300010782092	0	38	-2.0	-130.50	331.00	5.04	-125.46
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C	REAL300010782101	1	36	-2.0	-134.70	343.51	6.44	-128.26
CC1=NC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)=C(Br)N1C	REAL300010782115	1	33	-2.0	-141.04	310.87	2.72	-138.32
CC(C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010782118	0	34	-2.0	-109.01	298.56	3.09	-105.92
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010782121	1	31	-2.0	-122.33	309.27	4.75	-117.58
CC(C)[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010782151	1	33	-2.0	-127.79	298.58	2.60	-125.19
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010782152	1	32	-2.0	-124.26	302.07	6.00	-118.26
CC(C)[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010782164	1	33	-2.0	-127.22	306.44	3.74	-123.48
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010782165	1	33	-2.0	-129.32	319.56	5.26	-124.06
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300010782166	1	44	-2.0	-105.78	375.26	1.70	-104.08
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)=C1F	REAL300010782206	1	36	-2.0	-135.89	338.43	4.97	-130.92
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010782227	1	34	-2.0	-126.22	322.34	1.36	-124.86
CC(C)[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010782238	1	29	-2.0	-132.50	280.79	1.99	-130.51
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)=C1F	REAL300010782246	1	36	-2.0	-133.41	325.75	4.59	-128.82
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)O1	REAL300010782258	1	36	-2.0	-127.52	320.73	3.17	-124.35
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010782271	1	29	-2.0	-127.68	285.24	2.47	-125.21
COC(=O)C1=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)OC=C1	REAL300010782275	0	33	-2.0	-133.47	301.62	2.59	-130.88
CC(C)[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010782279	0	32	-2.0	-141.91	296.94	2.29	-139.62
CC(C)[C@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010782286	1	30	-2.0	-122.29	283.93	0.73	-121.56
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010782304	1	27	-2.0	-135.67	270.72	1.22	-134.45
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010782306	1	29	-2.0	-122.42	291.14	3.09	-119.33
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010782307	1	29	-2.0	-127.40	280.65	2.39	-125.01
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010782322	0	33	-2.0	-135.33	311.97	4.88	-130.45
CC(C)[C@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010782323	1	33	-2.0	-123.87	295.57	2.36	-121.51
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C	REAL300010782334	1	33	-2.0	-150.83	298.37	1.49	-149.34
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)=C1F	REAL300010782352	1	34	-2.0	-139.37	319.22	3.51	-135.86
CC(C)[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010782371	0	38	-2.0	-96.08	315.33	3.24	-92.84
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010782382	0	27	-2.0	-127.11	272.01	1.96	-125.15
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C	REAL300010782393	1	34	-2.0	-127.10	308.84	3.92	-123.18
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)=C1	REAL300010782413	0	33	-2.0	-121.44	321.12	3.30	-118.14
CC(C)[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010782418	0	33	-2.0	-99.81	293.94	3.84	-95.97
CC(C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010782421	1	33	-2.0	-139.17	299.70	2.49	-136.68
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010782423	0	31	-2.0	-107.29	298.34	3.61	-103.68
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010782451	1	27	-2.0	-120.62	272.64	1.93	-118.69
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010782475	1	30	-2.0	-125.86	289.94	3.12	-122.74
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010782488	1	33	-2.0	-128.28	323.03	5.39	-122.89
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010782492	1	35	-2.0	-129.06	323.70	5.33	-123.73
CC(C)[C@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010782496	1	36	-2.0	-120.76	340.65	4.78	-115.98
CC(C)[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010782502	0	30	-2.0	-124.99	298.07	4.12	-120.87
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010782503	1	32	-2.0	-120.65	309.26	2.48	-118.17
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010782506	1	32	-2.0	-120.65	309.26	2.48	-118.17
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C	REAL300010782509	1	34	-2.0	-143.23	315.13	4.78	-138.45
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010782512	1	30	-2.0	-128.19	293.60	4.50	-123.69
CC1=NC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300010782521	1	39	-2.0	-140.19	344.25	2.18	-138.01
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010782539	1	36	-2.0	-110.85	319.39	1.59	-109.26
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=N[N-]1	REAL300010782539	1	36	-2.0	-110.87	319.56	1.57	-109.30
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)=C1	REAL300010782541	0	33	-2.0	-122.84	320.65	3.17	-119.67
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C	REAL300010782544	1	34	-2.0	-125.69	323.03	4.49	-121.20
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300010782546	1	34	-2.0	-133.86	308.24	2.86	-131.00
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010782551	1	27	-2.0	-117.87	286.01	3.96	-113.91
CC(C)[C@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010782557	1	27	-2.0	-125.23	288.76	3.32	-121.91
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C	REAL300010782560	1	33	-2.0	-150.83	298.37	1.49	-149.34
CC(C)[C@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010782587	0	28	-2.0	-129.41	273.96	1.68	-127.73
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)S1	REAL300010782594	1	39	-2.0	-97.43	345.63	1.13	-96.30
CC(C)[C@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010782598	0	29	-2.0	-129.47	289.96	1.97	-127.50
CC(C)[C@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010782621	1	32	-2.0	-134.19	293.54	2.50	-131.69
CC(C)[C@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010782625	0	29	-2.0	-127.50	299.55	2.56	-124.94
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C	REAL300010782637	1	36	-2.0	-125.68	335.87	5.51	-120.17
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C	REAL300010782639	1	36	-2.0	-152.99	312.64	5.45	-147.54
CC(C)[C@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010782645	0	26	-2.0	-120.40	270.03	2.32	-118.08
CC(C)[C@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010782653	0	35	-2.0	-109.59	315.76	3.52	-106.07
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010782677	1	33	-2.0	-128.36	303.59	4.88	-123.48
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010782682	0	33	-2.0	-145.46	295.95	4.90	-140.56
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010782705	1	33	-2.0	-131.62	304.19	4.21	-127.41
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010782707	1	30	-2.0	-123.91	310.29	4.78	-119.13
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010782713	1	33	-2.0	-123.30	325.86	6.48	-116.82
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010782718	0	33	-2.0	-123.34	325.05	4.75	-118.59
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010782720	1	33	-2.0	-126.34	319.97	5.34	-121.00
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010782721	1	33	-2.0	-121.73	310.51	4.26	-117.47
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010782734	0	33	-2.0	-132.82	302.37	4.94	-127.88
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010782749	1	33	-2.0	-139.69	310.40	3.57	-136.12
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010782786	1	37	-2.0	-135.10	323.17	4.97	-130.13
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])C(F)=C1Cl	REAL300010782804	0	40	-2.0	-140.72	365.55	4.39	-136.33
COC(=O)C1=CC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C(Br)O1	REAL300010782809	1	36	-2.0	-120.51	346.75	4.01	-116.50
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])O1	REAL300010782823	1	36	-2.0	-128.38	327.00	3.45	-124.93
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010782826	0	35	-2.0	-148.59	308.82	6.14	-142.45
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010782829	1	33	-2.0	-138.96	305.16	5.64	-133.32
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010782838	0	35	-2.0	-130.40	338.05	7.31	-123.09
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010782867	1	35	-2.0	-144.21	316.88	6.65	-137.56
CC(C)C[C@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010782917	1	39	-2.0	-128.40	338.90	3.06	-125.34
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010782931	1	39	-2.0	-147.69	346.68	2.53	-145.16
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010782959	1	35	-2.0	-138.02	322.67	6.70	-131.32
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010782993	1	36	-2.0	-139.29	317.25	5.03	-134.26
COC(=O)C1=COC(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010788003	1	37	-2.0	-134.54	348.43	5.10	-129.44
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])O1	REAL300010788037	1	40	-2.0	-126.17	368.00	6.15	-120.02
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010788044	1	31	-2.0	-133.40	318.93	6.00	-127.40
CCN1C=C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010788052	1	39	-2.0	-134.07	356.94	7.31	-126.76
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010788053	1	36	-2.0	-139.68	336.78	7.54	-132.14
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010788073	1	34	-2.0	-135.79	318.38	6.54	-129.25
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300010788093	0	35	-2.0	-133.74	337.85	7.01	-126.73
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010788108	1	35	-2.0	-136.82	321.17	7.11	-129.71
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010788149	0	34	-2.0	-121.03	333.86	6.87	-114.16
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010788158	1	33	-2.0	-128.25	325.59	5.81	-122.44
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010788159	1	33	-2.0	-123.76	333.99	5.54	-118.22
COC(=O)C1=C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])SC=N1	REAL300010788192	0	36	-2.0	-140.44	339.69	4.49	-135.95
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010788201	1	31	-2.0	-127.58	312.89	5.08	-122.50
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010788210	1	34	-2.0	-140.62	324.61	7.11	-133.51
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010788265	1	34	-2.0	-124.69	343.71	7.46	-117.23
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010788278	0	34	-2.0	-133.57	329.63	6.74	-126.83
CC1=C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])C(N)=NO1	REAL300010788306	1	35	-2.0	-120.91	314.15	3.76	-117.15
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010788308	1	34	-2.0	-123.79	336.64	7.74	-116.05
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])S1	REAL300010788313	1	37	-2.0	-95.77	357.45	2.41	-93.36
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010788336	0	34	-2.0	-139.72	330.87	7.19	-132.53
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010788341	1	34	-2.0	-135.85	328.85	6.99	-128.86
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010788347	0	42	-2.0	-132.75	371.60	7.59	-125.16
N#CC1=CC=C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])O1	REAL300010788361	1	32	-2.0	-121.99	310.51	4.97	-117.02
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010788371	0	38	-2.0	-97.89	356.33	5.82	-92.07
CN1C=C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010788396	1	37	-2.0	-129.72	342.61	5.16	-124.56
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300010788398	1	31	-2.0	-139.92	306.83	5.42	-134.50
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010788411	1	37	-2.0	-130.27	342.80	6.88	-123.39
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010788412	1	37	-2.0	-140.58	361.06	8.33	-132.25
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300010788416	1	31	-2.0	-127.28	306.84	3.16	-124.12
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010788418	1	31	-2.0	-134.82	314.60	5.90	-128.92
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010788473	1	33	-2.0	-141.47	321.08	5.10	-136.37
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])=C1F	REAL300010788479	1	40	-2.0	-134.90	373.37	7.08	-127.82
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])O1	REAL300010788488	1	40	-2.0	-127.12	364.06	5.78	-121.34
COC(=O)C1=C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])OC=C1	REAL300010788498	0	37	-2.0	-142.30	338.66	5.60	-136.70
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300010788500	0	36	-2.0	-151.92	334.98	5.07	-146.85
CC1=NSC(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010788505	1	33	-2.0	-125.53	315.10	4.73	-120.80
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010788507	1	34	-2.0	-125.91	319.63	3.85	-122.06
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010788526	1	31	-2.0	-137.15	307.89	4.33	-132.82
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010788528	1	33	-2.0	-125.70	333.59	5.55	-120.15
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010788529	1	33	-2.0	-126.13	324.00	5.01	-121.12
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010788530	1	33	-2.0	-125.77	315.47	4.45	-121.32
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300010788534	1	38	-2.0	-166.04	339.68	3.64	-162.40
CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010788539	1	40	-2.0	-168.13	351.00	3.89	-164.24
CN1N=CC(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])=C1C(F)(F)F	REAL300010788549	1	37	-2.0	-128.24	337.04	4.96	-123.28
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010788559	0	35	-2.0	-111.17	328.72	4.70	-106.47
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010788561	1	37	-2.0	-152.04	338.90	3.73	-148.31
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-][C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010788564	1	43	-2.0	-162.43	370.16	4.43	-158.00
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=NS1	REAL300010788575	1	30	-2.0	-126.21	295.29	4.06	-122.15
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010788595	0	42	-2.0	-119.92	361.67	5.72	-114.20
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010788603	0	31	-2.0	-131.34	308.38	5.07	-126.27
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010788613	1	38	-2.0	-139.72	344.99	6.80	-132.92
CC1=CSC(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300010788622	1	33	-2.0	-137.92	315.11	3.97	-133.95
CN1N=NN=C1S(=O)(=O)[N-][C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010788626	1	32	-2.0	-113.29	295.98	2.44	-110.85
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010788641	0	37	-2.0	-110.37	345.62	6.56	-103.81
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010788643	1	37	-2.0	-144.98	336.06	5.47	-139.51
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010788646	0	35	-2.0	-106.70	352.81	5.73	-100.97
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010788678	1	31	-2.0	-127.58	312.89	5.08	-122.50
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010788706	1	34	-2.0	-123.75	330.44	5.64	-118.11
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010788729	0	35	-2.0	-111.17	328.72	4.70	-106.47
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010788734	1	36	-2.0	-123.88	347.63	5.69	-118.19
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300010788735	1	31	-2.0	-126.92	308.26	4.97	-121.95
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010788737	1	36	-2.0	-123.88	347.63	5.69	-118.19
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010788740	1	34	-2.0	-126.07	334.12	7.03	-119.04
CC1=NC(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010788752	1	43	-2.0	-146.49	379.46	5.62	-140.87
CCN1N=CC(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300010788767	1	36	-2.0	-132.57	327.48	3.27	-129.30
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010788777	1	40	-2.0	-99.57	369.54	3.80	-95.77
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=N[N-]1	REAL300010788777	1	40	-2.0	-99.62	369.84	3.80	-95.82
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010788779	0	37	-2.0	-121.70	361.16	5.71	-115.99
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300010788782	1	38	-2.0	-142.05	346.51	5.92	-136.13
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010788786	1	31	-2.0	-124.02	333.62	6.45	-117.57
N#CC1=C(S(=O)(=O)[N-][C@H](CC2=CC=CC=C2)C(=O)[O-])OC=C1	REAL300010788794	1	32	-2.0	-134.30	310.78	4.87	-129.43
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010788795	1	37	-2.0	-152.04	338.90	3.73	-148.31
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010788822	0	32	-2.0	-133.65	319.61	4.25	-129.40
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010788825	1	33	-2.0	-142.79	317.41	4.98	-137.81
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])S1	REAL300010788830	1	43	-2.0	-97.84	394.64	3.95	-93.89
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010788861	1	36	-2.0	-145.99	333.82	5.64	-140.35
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010788879	1	40	-2.0	-162.45	357.22	8.03	-154.42
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010788884	0	30	-2.0	-123.44	313.61	4.70	-118.74
CC1=CC=C([O-])C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010788905	1	38	-2.0	-104.97	338.69	5.48	-99.49
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010788926	1	30	-2.0	-124.34	284.15	4.06	-120.28
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010788952	1	27	-2.0	-122.91	285.33	4.07	-118.84
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010788957	1	30	-2.0	-121.19	302.82	5.68	-115.51
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010788961	0	30	-2.0	-125.42	298.56	4.60	-120.82
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010788963	1	30	-2.0	-121.71	293.09	4.63	-117.08
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010788964	1	30	-2.0	-123.91	284.31	4.06	-119.85
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010788973	0	30	-2.0	-129.24	277.40	4.25	-124.99
CCCCC([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010795009	0	33	-2.0	-130.88	312.82	5.29	-125.59
CCCCC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010795023	1	35	-2.0	-117.70	345.55	6.50	-111.20
CCCCC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010795044	0	35	-2.0	-123.88	341.64	6.13	-117.75
CCCCC([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010795046	1	35	-2.0	-114.38	342.76	5.42	-108.96
CCCCC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010795047	1	33	-2.0	-120.81	326.87	5.69	-115.12
CCCCC(NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010795054	1	36	-2.0	-97.56	340.99	0.95	-96.61
CCCCC([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010795075	0	33	-2.0	-134.52	319.23	5.16	-129.36
CCCCC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010795083	1	33	-2.0	-134.54	313.99	5.47	-129.07
CCCCC([N-]S(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F)C(=O)[O-]	REAL300010795085	1	42	-2.0	-127.43	386.40	6.94	-120.49
CCCCC([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010795086	1	35	-2.0	-125.17	339.29	6.70	-118.47
CCCCC([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C(=O)[O-]	REAL300010795088	0	41	-2.0	-125.08	364.60	5.81	-119.27
CCCCC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010795097	1	39	-2.0	-137.04	365.16	7.57	-129.47
CCCCC([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010795111	1	36	-2.0	-144.77	333.22	4.40	-140.37
CCCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010795115	0	37	-2.0	-109.71	329.69	4.23	-105.48
CCCCC([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010795117	1	34	-2.0	-123.56	337.73	5.86	-117.70
CCCCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010795149	1	36	-2.0	-127.80	328.61	3.82	-123.98
CCCCC([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010795150	1	35	-2.0	-123.38	333.78	6.56	-116.82
CCCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010795163	1	36	-2.0	-128.63	327.92	5.37	-123.26
CCCCC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010795164	1	36	-2.0	-136.22	343.05	6.93	-129.29
CCCCC([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010795170	1	30	-2.0	-133.42	299.73	4.38	-129.04
CCCCC([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010795210	1	39	-2.0	-137.29	366.88	6.08	-131.21
CCCCC([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010795241	1	32	-2.0	-140.71	304.28	3.70	-137.01
CCCCC([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010795250	1	39	-2.0	-136.51	356.56	5.64	-130.87
CCCCC([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010795262	1	39	-2.0	-125.59	349.19	4.28	-121.31
CCCCC([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010795273	1	32	-2.0	-124.28	311.79	3.63	-120.65
CCCCC([N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010795277	0	36	-2.0	-135.41	329.93	3.69	-131.72
CCCCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010795281	0	35	-2.0	-150.31	320.09	3.82	-146.49
CCCCC([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010795289	1	33	-2.0	-124.62	311.94	1.84	-122.78
CCCCC([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010795307	1	30	-2.0	-134.64	291.08	2.88	-131.76
CCCCC([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010795309	1	32	-2.0	-123.63	316.78	4.10	-119.53
CCCCC([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010795310	1	32	-2.0	-123.88	307.19	3.56	-120.32
CCCCC([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010795311	1	32	-2.0	-122.36	296.74	3.07	-119.29
CCCCC([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010795327	0	36	-2.0	-132.82	339.33	6.02	-126.80
CCCCC([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010795328	1	36	-2.0	-127.05	324.91	3.55	-123.50
CCCCC(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010795338	0	34	-2.0	-111.08	298.72	4.00	-107.08
CCCCC([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010795340	1	36	-2.0	-148.25	322.73	2.33	-145.92
CCCCC([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010795361	1	37	-2.0	-140.63	345.83	4.54	-136.09
CCCCC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010795387	0	41	-2.0	-95.93	344.05	4.38	-91.55
CCCCC([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010795397	0	30	-2.0	-131.11	293.51	3.60	-127.51
CCCCC([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010795408	1	37	-2.0	-129.46	336.56	4.98	-124.48
CCCCC([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010795432	0	36	-2.0	-121.00	350.38	4.29	-116.71
CCCCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010795436	0	36	-2.0	-99.77	320.71	4.83	-94.94
CCCCC([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010795439	1	36	-2.0	-143.69	321.18	4.10	-139.59
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010795442	0	34	-2.0	-107.80	323.71	4.28	-103.52
CCCCC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010795473	1	30	-2.0	-123.79	294.21	3.68	-120.11
CCCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010795499	1	33	-2.0	-122.49	315.61	4.12	-118.37
CCCCC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010795517	1	38	-2.0	-133.78	354.52	6.37	-127.41
CCCCC(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010795521	0	34	-2.0	-111.08	298.72	4.00	-107.08
CCCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010795522	1	39	-2.0	-130.75	369.00	6.23	-124.52
CCCCC([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010795528	0	33	-2.0	-133.22	321.56	5.78	-127.44
CCCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010795529	1	35	-2.0	-122.92	332.76	4.17	-118.75
CCCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010795532	1	35	-2.0	-122.92	332.76	4.17	-118.75
CCCCC([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010795534	1	37	-2.0	-142.17	348.72	5.32	-136.85
CCCCC([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010795537	1	33	-2.0	-128.64	319.27	5.51	-123.13
CCCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010795549	1	42	-2.0	-149.32	367.80	3.87	-145.45
CCCCC(NS(=O)(=O)C1=CC(C(=O)OCC)=N[N-]1)C(=O)[O-]	REAL300010795570	1	39	-2.0	-100.69	352.81	2.37	-98.32
CCCCC(NS(=O)(=O)C1=N[N-]C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010795570	1	39	-2.0	-100.75	353.03	2.37	-98.38
CCCCC([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010795572	0	36	-2.0	-120.20	346.31	4.18	-116.02
CCCCC([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010795575	1	37	-2.0	-128.25	350.71	5.56	-122.69
CCCCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010795577	1	37	-2.0	-131.92	334.61	3.89	-128.03
CCCCC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010795582	1	30	-2.0	-120.58	316.81	5.00	-115.58
CCCCC([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010795591	1	36	-2.0	-148.25	322.73	2.33	-145.92
CCCCC([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010795622	0	31	-2.0	-130.86	302.84	2.78	-128.08
CCCCC([N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010795625	1	32	-2.0	-141.73	300.61	3.58	-138.15
CCCCC(NS(=O)(=O)C1=C(C)N=C([N-]C(=O)CC)S1)C(=O)[O-]	REAL300010795630	1	42	-2.0	-99.48	372.06	2.18	-97.30
CCCCC([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010795634	0	32	-2.0	-131.38	318.40	3.06	-128.32
CCCCC([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010795660	1	35	-2.0	-141.42	314.75	4.49	-136.93
CCCCC([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010795666	0	32	-2.0	-125.61	319.78	4.24	-121.37
CCCCC([N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010795680	1	39	-2.0	-134.34	359.49	7.02	-127.32
CCCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010795682	1	39	-2.0	-146.75	348.31	5.93	-140.82
CCCCC([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010795688	0	29	-2.0	-117.19	293.76	3.36	-113.83
CCCCC(NS(=O)(=O)C1=CC(C)=CC=C1[O-])C(=O)[O-]	REAL300010795700	1	37	-2.0	-120.91	313.66	4.60	-116.31
CCCCC(NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010795701	0	38	-2.0	-113.75	346.90	4.61	-109.14
CCCC([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010795722	1	30	-2.0	-124.22	292.81	3.73	-120.49
CCCC([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010795748	1	27	-2.0	-122.69	293.10	4.27	-118.42
CCCC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010795753	1	30	-2.0	-121.43	315.70	5.34	-116.09
CCCC([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010795757	0	30	-2.0	-119.58	307.59	4.26	-115.32
CCCC([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010795759	1	30	-2.0	-119.32	307.59	4.26	-115.06
CCCC([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010795760	1	30	-2.0	-123.71	288.45	4.30	-119.41
CCCC([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010795769	0	30	-2.0	-131.25	285.17	4.44	-126.81
CCCC([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010795817	1	34	-2.0	-137.51	307.90	4.57	-132.94
CCCC([N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300010795831	0	37	-2.0	-134.56	353.07	3.32	-131.24
CCCC([N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010795836	1	33	-2.0	-122.98	329.60	3.52	-119.46
CCCC([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300010795850	1	33	-2.0	-123.93	309.79	2.91	-121.02
CCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010795852	0	32	-2.0	-144.30	299.27	5.26	-139.04
CCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010795855	1	30	-2.0	-133.53	287.96	5.06	-128.47
CCCC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010795864	0	32	-2.0	-136.28	323.41	6.77	-129.51
CCCC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010795896	1	32	-2.0	-144.81	301.13	6.12	-138.69
CCCC([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010795948	1	36	-2.0	-137.48	314.91	3.01	-134.47
CCCC([N-]S(=O)(=O)C1=NNC=C1C(=O)OCC)C(=O)[O-]	REAL300010795961	1	36	-2.0	-148.75	323.09	2.74	-146.01
CCCC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010795987	1	32	-2.0	-137.52	305.52	6.19	-131.33
O=C([O-])C1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010798033	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	REAL300010798082	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-]	REAL300010798088	0	32	-2.0	-102.56	294.64	5.21	-97.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010798168	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	REAL300010798217	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	REAL300010798217	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	REAL300010798277	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	REAL300010798344	0	36	-2.0	-113.30	306.59	5.90	-107.40
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1	REAL300010798423	1	31	-2.0	-107.98	307.35	5.03	-102.95
CN1C=NC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C1Cl	REAL300010798440	1	31	-2.0	-116.21	309.90	4.25	-111.96
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010798476	1	35	-2.0	-113.38	330.10	5.16	-108.22
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)O1	REAL300010798511	1	34	-2.0	-106.57	331.99	3.47	-103.10
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1	REAL300010798514	0	33	-2.0	-126.41	318.38	6.42	-119.99
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1	REAL300010798552	1	33	-2.0	-123.21	326.22	6.92	-116.29
CN1C=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(=O)N(C)C1=O	REAL300010798600	1	37	-2.0	-110.66	339.02	3.70	-106.96
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010798616	1	37	-2.0	-122.93	345.31	3.27	-119.66
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1	REAL300010798644	1	33	-2.0	-116.16	327.72	6.80	-109.36
COC(=O)C1=COC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300010798696	1	34	-2.0	-108.63	332.33	3.42	-105.21
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)O1	REAL300010798731	1	37	-2.0	-106.86	353.85	4.40	-102.46
CCN1C=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300010798748	1	36	-2.0	-119.85	342.76	5.57	-114.28
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1	REAL300010798749	1	33	-2.0	-123.17	325.84	6.10	-117.07
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(F)=C1	REAL300010798799	0	32	-2.0	-107.33	321.74	5.36	-101.97
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])=C1	REAL300010798814	1	32	-2.0	-122.29	308.26	5.45	-116.84
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=C1	REAL300010798846	0	36	-2.0	-98.23	352.84	4.13	-94.10
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=C1	REAL300010798846	1	36	-2.0	-98.15	352.90	4.12	-94.03
CC1=C(Br)SC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300010798851	0	30	-2.0	-104.45	320.79	2.90	-101.55
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1	REAL300010798859	0	31	-2.0	-98.93	319.68	5.16	-93.77
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1	REAL300010798869	1	30	-2.0	-108.35	311.41	4.12	-104.23
COC(=O)C1=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)SC=N1	REAL300010798905	0	33	-2.0	-111.76	332.63	2.43	-109.33
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300010798935	1	30	-2.0	-104.06	313.61	4.44	-99.62
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1	REAL300010798995	0	31	-2.0	-107.36	313.52	5.09	-102.27
CC1=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(N)=NO1	REAL300010799025	1	32	-2.0	-102.62	299.98	2.06	-100.56
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)=C1	REAL300010799027	1	33	-2.0	-101.91	342.33	5.91	-96.00
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)=C1	REAL300010799029	1	33	-2.0	-99.15	338.58	5.79	-93.36
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300010799036	1	34	-2.0	-100.29	336.32	1.43	-98.86
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1	REAL300010799060	1	31	-2.0	-112.96	314.79	5.54	-107.42
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010799070	0	39	-2.0	-109.55	360.55	6.19	-103.36
N#CC1=CC=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)O1	REAL300010799088	1	29	-2.0	-104.60	296.37	3.22	-101.38
CC1=NC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C(Br)N1C	REAL300010799095	1	34	-2.0	-120.52	334.15	4.07	-116.45
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1	REAL300010799099	0	35	-2.0	-93.90	332.21	4.69	-89.21
CN1C=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300010799130	1	34	-2.0	-112.81	331.08	3.53	-109.28
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])=C1	REAL300010799131	1	33	-2.0	-103.23	336.12	6.90	-96.33
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C1F	REAL300010799228	1	37	-2.0	-114.56	357.26	5.41	-109.15
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)O1	REAL300010799238	1	37	-2.0	-107.54	349.88	4.05	-103.49
COC(=O)C1=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)OC=C1	REAL300010799250	0	34	-2.0	-118.58	328.71	3.70	-114.88
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300010799252	0	33	-2.0	-122.47	320.79	3.58	-118.89
CC1=NSC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300010799257	1	30	-2.0	-105.06	300.93	2.97	-102.09
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)N=S2(=O)CCCC2)=C1	REAL300010799288	1	35	-2.0	-138.50	323.60	1.97	-136.53
CCS(=O)(CC)=NS(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010799293	1	37	-2.0	-137.52	336.84	2.28	-135.24
CN1N=CC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300010799303	1	34	-2.0	-105.83	326.78	3.33	-102.50
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300010799313	0	32	-2.0	-95.18	299.56	3.74	-91.44
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010799315	1	34	-2.0	-123.56	323.43	2.35	-121.21
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010799318	1	40	-2.0	-132.63	356.00	2.71	-129.92
O=C([O-])C1=CC=CC(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010799353	0	39	-2.0	-102.71	340.18	4.78	-97.93
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010799373	1	35	-2.0	-110.99	332.44	5.37	-105.62
CC1=CSC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300010799383	1	30	-2.0	-109.65	300.74	2.26	-107.39
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300010799401	0	34	-2.0	-104.18	321.36	5.38	-98.80
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300010799406	0	32	-2.0	-93.21	325.90	4.74	-88.47
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300010799425	1	35	-2.0	-97.52	348.89	6.02	-91.50
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300010799492	0	32	-2.0	-95.18	299.56	3.74	-91.44
CC1=NC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300010799518	1	40	-2.0	-116.21	366.86	3.87	-112.34
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300010799534	1	33	-2.0	-109.49	313.30	1.53	-107.96
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300010799542	1	37	-2.0	-99.28	349.44	2.78	-96.50
CCOC(=O)C1=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N[N-]1	REAL300010799542	1	37	-2.0	-99.28	349.49	2.79	-96.49
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300010799544	0	34	-2.0	-103.26	347.00	3.96	-99.30
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(F)=C1	REAL300010799548	1	35	-2.0	-113.16	330.44	4.26	-108.90
N#CC1=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)OC=C1	REAL300010799561	1	29	-2.0	-108.35	294.29	3.15	-105.20
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010799562	1	34	-2.0	-123.56	323.43	2.35	-121.21
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300010799600	1	40	-2.0	-100.56	373.30	2.99	-97.57
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010799653	1	37	-2.0	-125.04	341.77	6.40	-118.64
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(Br)C=NS2)=C1	REAL300010799658	1	27	-2.0	-100.47	296.37	3.10	-97.37
CC1=CC=C([O-])C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300010799676	1	35	-2.0	-101.44	314.57	4.34	-97.10
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)=C1	REAL300010799677	0	36	-2.0	-103.52	343.13	5.03	-98.49
CC(C)C([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010799698	1	30	-2.0	-126.54	288.32	3.47	-123.07
CC(C)C([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010799724	1	27	-2.0	-115.36	291.10	3.36	-112.00
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010799729	1	30	-2.0	-123.81	306.43	5.66	-118.15
CC(C)C([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010799733	0	30	-2.0	-122.03	302.79	4.01	-118.02
CC(C)C([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010799735	1	30	-2.0	-121.79	302.78	4.01	-117.78
CC(C)C([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010799736	1	30	-2.0	-123.98	284.28	4.07	-119.91
CC(C)C([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010799745	0	30	-2.0	-129.21	277.40	4.25	-124.96
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010799793	1	34	-2.0	-136.60	300.94	4.24	-132.36
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)C(F)=C1Cl	REAL300010799807	0	37	-2.0	-139.56	343.89	3.67	-135.89
COC(=O)C1=CC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C(Br)O1	REAL300010799812	1	33	-2.0	-123.47	325.43	3.29	-120.18
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)O1	REAL300010799826	1	33	-2.0	-120.53	307.80	2.00	-118.53
CC(C)C([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010799828	0	32	-2.0	-143.39	294.46	4.94	-138.45
CC(C)C([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010799831	1	30	-2.0	-132.82	282.13	4.80	-128.02
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010799840	0	32	-2.0	-130.26	310.10	6.47	-123.79
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010799872	1	32	-2.0	-139.59	302.48	5.45	-134.14
CC(C)C([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010799924	1	36	-2.0	-131.34	312.67	2.89	-128.45
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010799937	1	36	-2.0	-148.76	316.62	2.18	-146.58
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010799963	1	32	-2.0	-133.10	303.20	5.45	-127.65
COC(=O)C1=COC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C1	REAL300010799997	1	33	-2.0	-129.53	302.37	2.67	-126.86
O=C([O-])C1=CC=CC=C1C1CCN(S(=O)(=O)C2=NC=C[N-]2)CC1	REAL300010801354	0	38	-2.0	-95.41	327.43	4.53	-90.88
O=C([O-])C1=CC=CC=C1C1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010801378	0	42	-2.0	-96.40	356.33	7.13	-89.27
O=C([O-])C1=CC=CC=C1C1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010801400	0	49	-2.0	-111.49	392.94	8.05	-103.44
O=C([O-])C1=CC=CC=C1C1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010801463	0	42	-2.0	-96.40	356.33	7.13	-89.27
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300010801570	1	45	-2.0	-111.23	369.45	7.60	-103.63
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010801594	1	33	-2.0	-95.91	315.75	4.36	-91.55
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010801599	0	33	-2.0	-107.70	306.19	4.46	-103.24
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010801622	1	33	-2.0	-99.97	309.57	4.30	-95.67
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010801624	1	30	-2.0	-92.84	320.51	4.33	-88.51
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010801630	1	33	-2.0	-93.80	338.02	5.98	-87.82
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010801635	0	33	-2.0	-93.33	330.17	4.90	-88.43
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010801637	1	33	-2.0	-93.11	330.17	4.90	-88.21
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010801638	1	33	-2.0	-92.55	315.86	4.35	-88.20
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010801651	0	33	-2.0	-98.12	312.59	4.53	-93.59
CN1C=NC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1Cl	REAL300010801666	1	33	-2.0	-108.15	316.15	3.68	-104.47
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010801703	1	37	-2.0	-102.20	335.33	4.65	-97.55
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C(F)=C1Cl	REAL300010801721	0	40	-2.0	-105.67	375.50	3.98	-101.69
COC(=O)C1=CC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C(Br)O1	REAL300010801726	1	36	-2.0	-92.28	357.01	3.57	-88.71
COC(=O)C1=CC=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])O1	REAL300010801740	1	36	-2.0	-95.57	337.21	2.97	-92.60
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010801743	0	35	-2.0	-113.56	320.37	5.88	-107.68
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010801746	1	33	-2.0	-103.81	317.31	5.12	-98.69
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010801755	0	35	-2.0	-99.95	348.39	6.91	-93.04
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010801784	1	35	-2.0	-109.64	332.31	6.42	-103.22
CN1C=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C(=O)N(C)C1=O	REAL300010801834	1	39	-2.0	-104.73	344.25	3.19	-101.54
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010801848	1	39	-2.0	-114.33	351.80	2.68	-111.65
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010801876	1	35	-2.0	-103.96	332.94	6.29	-97.67
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010801910	1	36	-2.0	-103.21	327.43	4.57	-98.64
COC(=O)C1=COC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1	REAL300010801922	1	36	-2.0	-99.58	337.55	2.91	-96.67
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])O1	REAL300010801956	1	39	-2.0	-95.69	359.08	3.88	-91.81
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010801963	1	36	-2.0	-102.91	336.13	6.32	-96.59
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010801964	1	35	-2.0	-101.57	337.51	6.39	-95.18
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010801967	1	30	-2.0	-98.24	309.98	3.75	-94.49
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010801973	1	32	-2.0	-93.14	327.28	3.49	-89.65
CCN1C=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010801977	1	38	-2.0	-105.42	347.99	5.06	-100.36
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010801978	1	35	-2.0	-107.88	331.08	5.57	-102.31
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010801981	1	35	-2.0	-103.72	337.51	6.39	-97.33
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(F)=C1	REAL300010801984	1	41	-2.0	-94.18	368.46	1.09	-93.09
CN1C=C(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])C(=O)N(C)C1=O	REAL300010808021	1	45	-2.0	-134.16	372.06	4.82	-129.34
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-]	REAL300010808037	1	45	-2.0	-152.25	377.69	4.13	-148.12
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010808062	1	41	-2.0	-140.23	360.75	7.89	-132.34
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010808101	1	42	-2.0	-135.09	360.04	5.60	-129.49
COC(=O)C1=COC(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010808111	1	42	-2.0	-126.82	370.18	3.95	-122.87
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])O1	REAL300010808143	1	45	-2.0	-126.57	386.89	5.53	-121.04
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010808149	1	36	-2.0	-134.21	337.79	5.39	-128.82
CCN1C=C(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010808156	1	44	-2.0	-139.14	380.76	6.09	-133.05
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010808157	1	41	-2.0	-144.72	363.41	6.63	-138.09
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010808177	1	39	-2.0	-136.66	342.25	5.33	-131.33
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010808196	0	40	-2.0	-126.95	359.64	5.89	-121.06
CC1=C(Br)SC(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])=N1	REAL300010808237	0	38	-2.0	-129.77	351.90	4.10	-125.67
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010808244	0	39	-2.0	-120.44	350.79	6.32	-114.12
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010808253	1	38	-2.0	-129.66	344.47	5.21	-124.45
CC(C)(C)CCC([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010808254	1	38	-2.0	-123.35	350.92	4.99	-118.36
COC(=O)C1=C(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])SC=N1	REAL300010808286	0	41	-2.0	-144.16	362.53	4.04	-140.12
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010808294	1	36	-2.0	-127.07	329.87	4.53	-122.54
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010808304	1	39	-2.0	-139.82	346.03	6.03	-133.79
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010808356	1	39	-2.0	-121.65	365.43	6.33	-115.32
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010808369	0	39	-2.0	-133.03	346.55	6.19	-126.84
CC1=C(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])C(N)=NO1	REAL300010808396	1	40	-2.0	-121.30	331.93	3.18	-118.12
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010808398	1	41	-2.0	-121.05	371.65	6.92	-114.13
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010808399	1	39	-2.0	-125.07	355.51	7.15	-117.92
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])S1	REAL300010808405	1	42	-2.0	-98.17	374.74	1.86	-96.31
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010808423	0	39	-2.0	-136.63	352.96	6.07	-130.56
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010808428	1	39	-2.0	-131.21	352.43	5.80	-125.41
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=C(C#N)O1)C(=O)[O-]	REAL300010808445	1	37	-2.0	-121.74	327.48	4.41	-117.33
CC1=NC(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])=C(Br)N1C	REAL300010808449	1	42	-2.0	-147.06	366.95	5.31	-141.75
CC(C)(C)CCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010808452	0	43	-2.0	-107.26	376.03	5.14	-102.12
CN1C=C(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010808473	1	42	-2.0	-132.45	370.40	4.11	-128.34
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010808474	1	41	-2.0	-125.46	367.51	7.47	-117.99
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(F)C=CS1)C(=O)[O-]	REAL300010808476	1	36	-2.0	-130.46	328.27	4.29	-126.17
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010808488	1	42	-2.0	-132.47	361.66	6.27	-126.20
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010808489	1	42	-2.0	-138.42	376.78	7.83	-130.59
CC(C)(C)CCC([N-]S(=O)(=O)C1=CNN=C1Cl)C(=O)[O-]	REAL300010808493	1	36	-2.0	-128.92	323.77	2.62	-126.30
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010808495	1	36	-2.0	-127.82	337.97	4.69	-123.13
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])=C1F	REAL300010808559	1	45	-2.0	-138.66	390.29	6.55	-132.11
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])O1	REAL300010808569	1	45	-2.0	-130.57	382.93	5.19	-125.38
COC(=O)C1=C(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])OC=C1	REAL300010808579	0	42	-2.0	-145.46	359.82	4.81	-140.65
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])=N1	REAL300010808581	0	41	-2.0	-151.19	351.90	4.52	-146.67
CC1=NSC(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010808586	1	38	-2.0	-127.78	333.98	4.11	-123.67
CC(C)(C)CCC([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010808589	1	39	-2.0	-129.60	340.46	3.25	-126.35
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010808609	1	36	-2.0	-139.85	322.90	3.89	-135.96
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010808611	1	38	-2.0	-125.62	350.52	5.00	-120.62
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010808612	1	38	-2.0	-125.88	340.93	4.47	-121.41
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010808613	1	38	-2.0	-125.61	332.40	3.91	-121.70
CN1N=CC(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])=C1C(F)(F)F	REAL300010808633	1	42	-2.0	-123.24	363.19	3.84	-119.40
CC(C)(C)CCC(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010808642	0	40	-2.0	-109.92	345.77	4.09	-105.83
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-]	REAL300010808644	1	42	-2.0	-151.36	356.47	3.49	-147.87
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=NS1)C(=O)[O-]	REAL300010808657	1	35	-2.0	-122.23	316.93	2.92	-119.31
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010808684	0	36	-2.0	-130.31	326.14	4.51	-125.80
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-]	REAL300010808694	1	43	-2.0	-131.78	370.29	5.88	-125.90
CC1=CSC(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])=N1	REAL300010808704	1	38	-2.0	-137.54	334.22	3.34	-134.20
CN1N=NN=C1S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-]	REAL300010808708	1	37	-2.0	-118.87	319.45	1.26	-117.61
CC(C)(C)CCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010808722	0	42	-2.0	-108.92	366.32	6.11	-102.81
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010808724	1	42	-2.0	-144.00	352.99	4.92	-139.08
CC(C)(C)CCC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010808727	0	40	-2.0	-98.53	371.18	5.17	-93.36
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010808756	1	36	-2.0	-127.07	329.87	4.53	-122.54
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010808784	1	39	-2.0	-124.45	349.34	5.03	-119.42
CC(C)(C)CCC(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010808807	0	40	-2.0	-109.92	345.77	4.09	-105.83
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010808811	1	41	-2.0	-123.79	364.56	5.14	-118.65
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=C(Cl)O1)C(=O)[O-]	REAL300010808812	1	36	-2.0	-126.32	325.24	4.42	-121.90
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010808814	1	41	-2.0	-123.79	364.56	5.14	-118.65
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010808818	1	39	-2.0	-130.67	353.00	6.42	-124.25
CC1=NC(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010808830	1	48	-2.0	-147.39	399.60	4.85	-142.54
CCN1N=CC(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])=N1	REAL300010808846	1	41	-2.0	-131.47	346.20	2.68	-128.79
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010808855	1	45	-2.0	-101.95	386.79	3.25	-98.70
CCOC(=O)C1=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=N[N-]1	REAL300010808855	1	45	-2.0	-102.01	387.01	3.27	-98.74
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010808857	0	42	-2.0	-124.65	380.05	5.09	-119.56
COC1=CC(F)=C(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])C(F)=C1	REAL300010808861	1	43	-2.0	-140.71	363.48	5.36	-135.35
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010808865	1	36	-2.0	-121.95	348.63	5.98	-115.97
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(C#N)C=CO1)C(=O)[O-]	REAL300010808872	1	37	-2.0	-133.44	326.24	4.32	-129.12
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-]	REAL300010808873	1	42	-2.0	-151.36	356.47	3.49	-147.87
CC(C)(C)CCC([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010808902	0	37	-2.0	-133.01	336.57	3.69	-129.32
CC(C)(C)CCC([N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010808905	1	38	-2.0	-140.73	332.41	4.49	-136.24
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])S1	REAL300010808910	1	48	-2.0	-99.63	411.54	3.44	-96.19
CC(C)(C)CCC([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010808913	0	38	-2.0	-139.26	345.41	4.61	-134.65
CC(C)(C)CCC([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010808943	1	41	-2.0	-143.63	348.50	5.39	-138.24
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-]	REAL300010808963	1	45	-2.0	-149.26	382.04	6.85	-142.41
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010808968	0	35	-2.0	-120.62	329.42	4.20	-116.42
CC1=CC=C([O-])C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010808988	1	43	-2.0	-117.39	358.69	4.80	-112.59
CC(C)(C)CCC(NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010808989	0	44	-2.0	-113.27	378.38	5.49	-107.78
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010811208	0	33	-2.0	-106.64	291.33	5.06	-101.58
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010811213	0	31	-2.0	-104.47	298.28	4.35	-100.12
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010811327	1	36	-2.0	-98.57	321.75	2.33	-96.24
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=N[N-]1	REAL300010811327	1	36	-2.0	-98.62	321.86	2.33	-96.29
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S1	REAL300010811381	1	39	-2.0	-95.94	339.36	2.44	-93.50
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010811440	0	35	-2.0	-113.54	312.83	4.60	-108.94
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2C3CCC2C(C(=O)[O-])C3)C(F)=C1	REAL300010811861	1	40	-2.0	-105.14	357.83	2.16	-102.98
O=C([O-])C1CC2CCC1N2S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010811958	0	37	-2.0	-100.04	339.67	4.34	-95.70
O=C([O-])C1CC2CCC1N2S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010811958	1	37	-2.0	-100.04	339.73	4.33	-95.71
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300010812162	1	35	-2.0	-104.36	323.98	1.68	-102.68
O=C([O-])C1CC2CCC1N2S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010812222	0	36	-2.0	-114.68	326.09	4.88	-109.80
O=C([O-])C1CC2CCC1N2S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010812446	0	33	-2.0	-116.11	293.76	3.95	-112.16
O=C([O-])C1CC2CCC1N2S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010812491	0	40	-2.0	-104.97	321.21	4.74	-100.23
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2C3CCC2C(C(=O)[O-])C3)=C1	REAL300010812542	0	35	-2.0	-110.38	315.92	5.93	-104.45
O=C([O-])C1CC2CCC1N2S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010812548	0	33	-2.0	-104.65	320.10	4.92	-99.73
O=C([O-])C1CC2CCC1N2S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010812631	0	33	-2.0	-116.11	293.76	3.95	-112.16
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C3CCC2C(C(=O)[O-])C3)=C1	REAL300010812684	1	38	-2.0	-94.03	334.85	2.90	-91.13
CCOC(=O)C1=CC(S(=O)(=O)N2C3CCC2C(C(=O)[O-])C3)=N[N-]1	REAL300010812684	1	38	-2.0	-94.02	334.95	2.90	-91.12
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2C3CCC2C(C(=O)[O-])C3)S1	REAL300010812743	1	41	-2.0	-91.03	357.28	3.06	-87.97
CC1=CC=C([O-])C(S(=O)(=O)N2C3CCC2C(C(=O)[O-])C3)=C1	REAL300010812817	1	36	-2.0	-124.62	308.77	4.55	-120.07
O=C([O-])C1CC2CCC1N2S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010812818	0	37	-2.0	-113.11	325.64	5.37	-107.74
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])S1	REAL300010814037	1	39	-2.0	-97.57	349.53	2.43	-95.14
CC(CN(C)S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010814096	0	35	-2.0	-104.96	313.55	4.81	-100.15
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CC1	REAL300010814121	1	34	-2.0	-98.56	308.76	4.61	-93.95
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)CC1	REAL300010814126	0	34	-2.0	-116.74	295.44	5.00	-111.74
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)CC1	REAL300010814152	1	34	-2.0	-103.84	302.57	4.55	-99.29
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CC1	REAL300010814154	1	31	-2.0	-96.26	313.55	4.58	-91.68
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CC1	REAL300010814160	1	34	-2.0	-101.20	325.94	6.50	-94.70
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CC1	REAL300010814166	0	34	-2.0	-96.89	323.14	5.15	-91.74
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CC1	REAL300010814168	1	34	-2.0	-96.32	323.17	5.15	-91.17
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CC1	REAL300010814169	1	34	-2.0	-95.66	308.86	4.62	-91.04
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CC1	REAL300010814181	0	34	-2.0	-106.59	300.52	5.03	-101.56
CN1C=NC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=C1Cl	REAL300010814198	1	34	-2.0	-114.75	304.42	4.28	-110.47
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1	REAL300010814236	1	38	-2.0	-112.72	324.60	5.20	-107.52
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)O1	REAL300010814272	1	37	-2.0	-103.07	326.48	3.52	-99.55
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC1	REAL300010814275	0	36	-2.0	-122.81	308.71	6.06	-116.75
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CC1	REAL300010814279	1	34	-2.0	-107.89	310.30	5.37	-102.52
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300010814286	0	36	-2.0	-105.17	337.34	7.45	-97.72
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CC1	REAL300010814315	1	36	-2.0	-119.50	316.74	6.62	-112.88
CN1C=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C(=O)N(C)C1=O	REAL300010814368	1	40	-2.0	-107.44	337.25	3.41	-104.03
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1	REAL300010814383	1	40	-2.0	-122.51	337.89	3.19	-119.32
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CC1	REAL300010814410	1	36	-2.0	-107.07	325.18	6.42	-100.65
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CC1	REAL300010814450	1	37	-2.0	-106.29	320.45	4.82	-101.47
COC(=O)C1=COC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=C1	REAL300010814462	1	37	-2.0	-107.97	326.84	3.46	-104.51
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)O1	REAL300010814497	1	40	-2.0	-103.29	348.35	4.45	-98.84
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CC1	REAL300010814504	1	37	-2.0	-106.68	329.13	6.56	-100.12
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Br)C=CS2)CC1	REAL300010814506	1	31	-2.0	-102.57	302.98	4.00	-98.57
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CC1	REAL300010814512	1	33	-2.0	-96.29	320.29	3.74	-92.55
CCN1C=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300010814515	1	39	-2.0	-108.19	340.99	5.31	-102.88
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CC1	REAL300010814516	1	36	-2.0	-110.93	324.01	5.79	-105.14
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)C(F)=C1	REAL300010814521	1	42	-2.0	-104.90	358.64	0.98	-103.92
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)CC1	REAL300010814541	1	34	-2.0	-105.93	302.45	4.56	-101.37
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C(F)=C1	REAL300010814572	0	35	-2.0	-105.74	314.92	5.36	-100.38
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CC1	REAL300010814587	1	35	-2.0	-110.93	306.49	5.16	-105.77
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300010814618	0	39	-2.0	-108.34	352.06	3.57	-104.77
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300010814618	1	39	-2.0	-108.31	352.12	3.57	-104.74
CC1=C(Br)SC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=N1	REAL300010814623	0	33	-2.0	-104.03	315.30	2.94	-101.09
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CC1	REAL300010814631	0	34	-2.0	-98.08	314.19	5.20	-92.88
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CC1	REAL300010814642	1	33	-2.0	-101.19	309.63	3.88	-97.31
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CC1	REAL300010814645	1	33	-2.0	-94.19	316.11	3.62	-90.57
COC(=O)C1=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)SC=N1	REAL300010814678	0	36	-2.0	-109.58	325.83	2.76	-106.82
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010814688	1	31	-2.0	-102.59	291.33	3.45	-99.14
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CC1	REAL300010814699	1	34	-2.0	-108.49	306.72	5.23	-103.26
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CC1	REAL300010814753	1	34	-2.0	-96.37	325.85	5.55	-90.82
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CC1	REAL300010814768	0	34	-2.0	-100.95	311.76	4.83	-96.12
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CC1	REAL300010814783	1	36	-2.0	-93.60	344.46	6.04	-87.56
CC1=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C(N)=NO1	REAL300010814802	1	35	-2.0	-100.55	294.49	2.09	-98.46
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CC1	REAL300010814805	0	36	-2.0	-95.57	340.56	5.66	-89.91
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CC1	REAL300010814807	1	36	-2.0	-91.88	336.83	5.54	-86.34
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CC1	REAL300010814808	1	34	-2.0	-100.22	315.61	6.07	-94.15
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300010814815	1	37	-2.0	-96.72	335.44	0.92	-95.80
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC1	REAL300010814839	0	34	-2.0	-112.93	309.29	5.58	-107.35
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CC1	REAL300010814845	1	34	-2.0	-103.83	312.90	5.01	-98.82
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CC1	REAL300010814848	1	36	-2.0	-100.18	338.24	6.28	-93.90
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1	REAL300010814851	0	42	-2.0	-102.18	358.34	5.87	-96.31
CC1=NC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=C(Br)N1C	REAL300010814875	1	37	-2.0	-111.82	331.28	3.88	-107.94
O=C([O-])C1CCC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010814879	0	38	-2.0	-95.50	326.90	4.17	-91.33
CN1C=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300010814912	1	37	-2.0	-102.93	329.33	3.27	-99.66
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010814913	1	36	-2.0	-99.10	331.79	6.56	-92.54
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(F)C=CS2)CC1	REAL300010814915	1	31	-2.0	-106.29	288.95	3.48	-102.81
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300010814929	1	37	-2.0	-100.51	326.85	4.89	-95.62
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300010814930	1	37	-2.0	-106.43	341.96	6.50	-99.93
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CNN=C2Cl)CC1	REAL300010814935	1	31	-2.0	-99.60	288.95	1.24	-98.36
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Cl)C=CS2)CC1	REAL300010814937	1	31	-2.0	-103.53	298.65	3.90	-99.63
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=C1F	REAL300010814975	1	40	-2.0	-105.01	365.82	5.62	-99.39
O=C([O-])C1CCC([N-]S(=O)(=O)C2=NC=CC=C2Br)CC1	REAL300010815005	1	33	-2.0	-108.48	303.19	3.21	-105.27
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=C1F	REAL300010815015	1	40	-2.0	-104.61	355.50	5.17	-99.44
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)O1	REAL300010815025	1	40	-2.0	-99.07	348.11	3.80	-95.27
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CC1	REAL300010815035	1	33	-2.0	-99.17	312.64	3.10	-96.07
COC(=O)C1=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)OC=C1	REAL300010815039	0	37	-2.0	-111.61	324.06	3.82	-107.79
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=N1	REAL300010815042	0	36	-2.0	-114.84	317.77	3.38	-111.46
CC1=NSC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=C1	REAL300010815047	1	33	-2.0	-97.26	299.16	2.72	-94.54
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CC1	REAL300010815050	1	34	-2.0	-100.13	306.31	1.95	-98.18
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Br)NC=N2)CC1	REAL300010815070	1	31	-2.0	-108.08	291.14	2.37	-105.71
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CC1	REAL300010815072	1	33	-2.0	-96.38	315.72	3.64	-92.74
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CC1	REAL300010815073	1	33	-2.0	-98.92	308.05	3.03	-95.89
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)CC1	REAL300010815074	1	33	-2.0	-98.22	297.59	2.54	-95.68
CN1N=CC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=C1C(F)(F)F	REAL300010815093	1	37	-2.0	-99.09	323.82	3.06	-96.03
O=C([O-])C1CCC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010815104	0	35	-2.0	-91.72	309.89	3.25	-88.47
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1	REAL300010815106	1	37	-2.0	-121.27	316.03	2.26	-119.01
O=C([O-])C1CCC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010815149	0	42	-2.0	-108.00	342.95	4.31	-103.69
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Br)C=CO2)CC1	REAL300010815159	0	31	-2.0	-101.62	292.45	3.11	-98.51
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1	REAL300010815169	1	38	-2.0	-106.75	320.23	5.17	-101.58
CC1=CSC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=N1	REAL300010815181	1	33	-2.0	-109.67	295.25	2.29	-107.38
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300010815199	0	37	-2.0	-105.72	331.20	5.25	-100.47
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CC1	REAL300010815201	1	37	-2.0	-110.99	320.12	3.65	-107.34
O=C([O-])C1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010815204	0	35	-2.0	-95.57	320.97	4.22	-91.35
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010815238	1	31	-2.0	-102.59	291.33	3.45	-99.14
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CC1	REAL300010815267	1	34	-2.0	-100.44	310.80	3.94	-96.50
O=C([O-])C1CCC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010815288	0	35	-2.0	-91.72	309.89	3.25	-88.47
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CC1	REAL300010815293	0	34	-2.0	-107.78	315.41	5.58	-102.20
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010815294	1	36	-2.0	-97.65	330.87	3.62	-94.03
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=C(Cl)O2)CC1	REAL300010815296	1	31	-2.0	-102.00	286.70	3.34	-98.66
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010815298	1	36	-2.0	-97.65	330.87	3.62	-94.03
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CC1	REAL300010815302	1	34	-2.0	-98.27	318.21	5.04	-93.23
CC1=NC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300010815315	1	43	-2.0	-114.79	366.73	3.41	-111.38
CCN1N=CC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=N1	REAL300010815332	1	36	-2.0	-101.71	311.39	1.30	-100.41
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300010815341	1	40	-2.0	-97.11	346.67	2.44	-94.67
CCOC(=O)C1=CC(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)=N[N-]1	REAL300010815341	1	40	-2.0	-97.10	346.75	2.44	-94.66
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)=C1	REAL300010815343	0	37	-2.0	-95.20	345.23	3.71	-91.49
COC1=CC(F)=C(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)C(F)=C1	REAL300010815347	1	38	-2.0	-111.96	323.60	4.26	-107.70
O=C([O-])C1CCC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CC1	REAL300010815352	1	31	-2.0	-93.54	315.73	4.53	-89.01
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1	REAL300010815361	1	37	-2.0	-121.27	316.03	2.26	-119.01
O=C([O-])C1CCC([N-]S(=O)(=O)C2=NC=C(Br)C=N2)CC1	REAL300010815392	0	32	-2.0	-102.89	304.01	2.13	-100.76
O=C([O-])C1CCC([N-]S(=O)(=O)C2=NC=CC=C2Cl)CC1	REAL300010815395	1	33	-2.0	-109.33	299.54	3.09	-106.24
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)S1	REAL300010815400	1	43	-2.0	-97.32	375.44	2.57	-94.75
O=C([O-])C1CCC([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CC1	REAL300010815404	0	33	-2.0	-112.37	307.84	3.58	-108.79
O=C([O-])C1CCC([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CC1	REAL300010815430	1	36	-2.0	-114.10	304.86	3.96	-110.14
O=C([O-])C1CCC([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)CC1	REAL300010815436	0	33	-2.0	-100.24	318.71	3.85	-96.39
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1	REAL300010815451	1	40	-2.0	-103.70	358.43	6.54	-97.16
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1	REAL300010815453	1	40	-2.0	-123.76	336.28	6.40	-117.36
O=C([O-])C1CCC([N-]S(=O)(=O)C2=C(Br)C=NS2)CC1	REAL300010815459	0	30	-2.0	-93.88	294.60	2.85	-91.03
CC1=CC=C([O-])C(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300010815474	1	38	-2.0	-103.58	309.59	3.82	-99.76
O=C([O-])C1CCC(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010815475	0	39	-2.0	-95.15	342.62	4.61	-90.54
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010815496	1	30	-2.0	-98.67	294.25	3.58	-95.09
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010815522	1	27	-2.0	-95.77	299.01	3.55	-92.22
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010815527	1	30	-2.0	-96.98	316.52	5.20	-91.78
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010815531	0	30	-2.0	-96.31	308.67	4.12	-92.19
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010815533	1	30	-2.0	-96.11	308.67	4.12	-91.99
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010815534	1	30	-2.0	-95.52	294.36	3.57	-91.95
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010815543	0	30	-2.0	-101.41	291.09	3.74	-97.67
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010815591	1	34	-2.0	-105.76	313.83	3.87	-101.89
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CCCCC(=O)[O-])C(F)=C1Cl	REAL300010815605	0	37	-2.0	-108.79	354.00	3.20	-105.59
COC(=O)C1=CC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C(Br)O1	REAL300010815610	1	33	-2.0	-95.06	335.51	2.79	-92.27
COC(=O)C1=CC=C(S(=O)(=O)[N-]CCCCC(=O)[O-])O1	REAL300010815624	1	33	-2.0	-98.10	315.72	2.19	-95.91
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010815626	0	32	-2.0	-117.85	298.87	5.10	-112.75
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010815629	1	30	-2.0	-107.40	295.81	4.34	-103.06
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010815638	0	32	-2.0	-103.63	326.90	6.13	-97.50
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010815670	1	32	-2.0	-113.71	310.81	5.64	-108.07
CN1C=C(S(=O)(=O)[N-]CCCCC(=O)[O-])C(=O)N(C)C1=O	REAL300010815722	1	36	-2.0	-107.49	322.75	2.41	-105.08
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010815735	1	36	-2.0	-118.11	330.30	1.90	-116.21
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010815761	1	32	-2.0	-107.80	311.44	5.51	-102.29
COC(=O)C1=COC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C1	REAL300010815795	1	33	-2.0	-102.35	316.05	2.13	-100.22
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CCCCC(=O)[O-])O1	REAL300010815826	1	36	-2.0	-98.26	337.58	3.10	-95.16
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010815832	1	33	-2.0	-106.65	314.63	5.54	-101.11
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010815833	1	32	-2.0	-105.02	316.01	5.61	-99.41
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010815836	1	27	-2.0	-101.61	288.48	2.97	-98.64
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010815842	1	29	-2.0	-95.84	305.78	2.70	-93.14
CCN1C=C(S(=O)(=O)[N-]CCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010815846	1	35	-2.0	-108.32	326.49	4.28	-104.04
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010815847	1	32	-2.0	-111.01	309.58	4.79	-106.22
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010815850	1	32	-2.0	-107.58	316.01	5.61	-101.97
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(F)=C1	REAL300010815853	1	38	-2.0	-99.50	346.96	0.31	-99.19
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010815871	1	27	-2.0	-95.77	303.65	3.65	-92.12
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCCCC(=O)[O-])C(F)=C1	REAL300010815901	0	31	-2.0	-100.98	305.47	4.07	-96.91
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010815914	1	31	-2.0	-111.02	291.99	4.16	-106.86
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010815948	0	35	-2.0	-101.34	336.57	2.82	-98.52
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010815948	1	35	-2.0	-101.32	336.63	2.81	-98.51
CC1=C(Br)SC(S(=O)(=O)[N-]CCCCC(=O)[O-])=N1	REAL300010815951	0	29	-2.0	-98.27	304.33	1.64	-96.63
CCCCCCN1C=C(S(=O)(=O)[N-]CCCCC(=O)[O-])C(=O)NC1=O	REAL300010815958	1	48	-2.0	-105.79	412.39	4.15	-101.64
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010815959	0	30	-2.0	-92.17	303.41	3.87	-88.30
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010815966	0	45	-2.0	-103.94	388.42	1.01	-102.93
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010815974	1	29	-2.0	-100.71	295.15	2.83	-97.88
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br	REAL300010815978	1	30	-2.0	-95.56	309.75	4.91	-90.65
O=C([O-])CCCC[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010815979	1	29	-2.0	-93.39	301.61	2.58	-90.81
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])S1	REAL300010818205	1	40	-2.0	-107.65	362.86	0.06	-107.59
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010818257	0	41	-2.0	-116.57	364.63	2.30	-114.27
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=NC=C[N-]1	REAL300010818377	0	34	-2.0	-109.59	303.96	-1.07	-110.66
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010818431	0	38	-2.0	-120.03	329.10	1.42	-118.61
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010818466	0	45	-2.0	-110.21	365.24	3.26	-106.95
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010818509	0	40	-2.0	-109.51	354.63	3.16	-106.35
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010818514	0	38	-2.0	-100.98	355.20	2.90	-98.08
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010818589	0	38	-2.0	-120.03	329.10	1.42	-118.61
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1	REAL300010818634	1	43	-2.0	-107.88	383.51	0.56	-107.32
CCOC(=O)C1=CC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=N[N-]1	REAL300010818634	1	43	-2.0	-107.95	383.61	0.56	-107.39
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1[O-]	REAL300010818754	1	41	-2.0	-126.73	347.62	1.96	-124.77
CC(O)(C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010822027	1	28	-2.0	-104.98	304.87	1.22	-103.76
CC(O)(C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010822032	1	28	-2.0	-104.16	298.41	1.21	-102.95
CC(O)(C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010822048	0	28	-2.0	-108.73	284.33	0.49	-108.24
CC(O)(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010822060	1	30	-2.0	-100.61	317.04	1.69	-98.92
CC(O)(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010822081	0	30	-2.0	-102.96	312.79	1.30	-101.66
CC(O)(C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010822082	1	30	-2.0	-99.00	309.40	1.18	-97.82
CC(O)(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010822083	1	28	-2.0	-104.27	292.92	1.46	-102.81
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])S1	REAL300010822089	1	31	-2.0	-92.96	305.32	-3.22	-96.18
CC(O)(C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010822109	0	28	-2.0	-112.80	285.61	0.93	-111.87
CC(O)(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010822117	1	28	-2.0	-111.82	285.47	0.66	-111.16
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])=C(F)C=C1Cl	REAL300010822119	1	37	-2.0	-105.91	357.89	2.12	-103.79
CC(O)(C[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010822120	1	30	-2.0	-107.72	310.80	1.92	-105.80
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(C)(O)C(=O)[O-]	REAL300010822122	0	36	-2.0	-111.17	331.14	1.59	-109.58
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC(C)(O)C(=O)[O-]	REAL300010822131	1	34	-2.0	-115.88	340.24	2.69	-113.19
CC1=NC(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])=C(Br)N1C	REAL300010822145	1	31	-2.0	-119.76	303.51	-0.47	-120.23
CC(O)(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010822148	0	32	-2.0	-98.87	300.85	0.02	-98.85
CC(O)(C[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010822150	1	29	-2.0	-102.64	309.22	1.03	-101.61
CN1C=C(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010822180	1	31	-2.0	-111.08	301.53	-1.08	-112.16
CC(O)(C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010822181	1	30	-2.0	-107.25	304.36	2.24	-105.01
CC(O)(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010822193	1	31	-2.0	-107.87	299.42	0.54	-107.33
CC(O)(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010822194	1	31	-2.0	-114.35	314.19	2.13	-112.22
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(F)=C1	REAL300010822195	1	42	-2.0	-101.28	375.35	-1.30	-102.58
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])=C1F	REAL300010822237	1	34	-2.0	-113.56	338.03	1.25	-112.31
CC(O)(C[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010822258	1	32	-2.0	-104.96	319.49	-2.46	-107.42
CC(O)(C[N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010822269	1	27	-2.0	-117.22	275.77	-1.14	-118.36
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])=C1F	REAL300010822277	1	34	-2.0	-113.01	327.70	0.81	-112.20
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])O1	REAL300010822289	1	34	-2.0	-106.09	320.68	-0.55	-106.64
CC(O)(C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010822302	1	27	-2.0	-107.00	284.87	-1.25	-108.25
COC(=O)C1=C(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])OC=C1	REAL300010822306	0	31	-2.0	-119.18	296.62	-0.54	-119.72
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])=N1	REAL300010822310	0	30	-2.0	-125.17	291.60	-1.02	-126.19
CC(O)(C[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010822317	1	28	-2.0	-107.99	278.57	-2.39	-110.38
CC(O)(C[N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010822335	1	25	-2.0	-116.45	263.70	-1.99	-118.44
CC(O)(C[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010822337	1	27	-2.0	-103.86	288.28	-0.72	-104.58
CC(O)(C[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010822338	1	27	-2.0	-106.83	280.27	-1.32	-108.15
CC(O)(C[N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010822343	0	32	-2.0	-139.03	294.42	-2.64	-141.67
CCS(=O)(CC)=NS(=O)(=O)[N-]CC(C)(O)C(=O)[O-]	REAL300010822347	0	34	-2.0	-138.04	307.30	-2.33	-140.37
CC(O)(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010822354	0	31	-2.0	-112.78	310.82	1.22	-111.56
CN1N=CC(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])=C1C(F)(F)F	REAL300010822355	1	31	-2.0	-106.31	296.06	-1.29	-107.60
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C)(O)C(=O)[O-]	REAL300010822366	1	31	-2.0	-126.52	295.52	-2.34	-128.86
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC(C)(O)C(=O)[O-]	REAL300010822369	0	37	-2.0	-137.51	326.80	-1.89	-139.40
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])=C1F	REAL300010822384	1	32	-2.0	-118.09	312.20	0.32	-117.77
CC(O)(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010822405	0	36	-2.0	-95.77	309.34	0.16	-95.61
CC(O)(C[N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010822416	0	25	-2.0	-109.16	265.01	-1.25	-110.41
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC(C)(O)C(=O)[O-]	REAL300010822427	1	32	-2.0	-114.70	299.67	0.75	-113.95
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])=C1	REAL300010822448	0	31	-2.0	-102.19	321.88	-0.54	-102.73
CC(O)(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010822453	0	31	-2.0	-93.51	290.32	0.73	-92.78
CC(O)(C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010822456	1	31	-2.0	-119.32	292.33	-0.70	-120.02
CC(O)(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010822458	0	29	-2.0	-98.24	295.06	0.10	-98.14
CC(O)(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010822487	1	25	-2.0	-105.49	267.28	-1.21	-106.70
CC(O)(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010822512	1	28	-2.0	-103.85	286.75	-0.70	-104.55
CC(O)(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010822525	1	31	-2.0	-113.29	317.66	2.26	-111.03
CC(O)(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010822529	1	33	-2.0	-112.97	326.00	1.61	-111.36
CC(O)(C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010822533	1	34	-2.0	-108.71	340.50	1.40	-107.31
CC(O)(C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010822539	0	28	-2.0	-110.45	292.71	0.98	-109.47
CC(O)(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010822540	1	30	-2.0	-105.26	303.91	-0.65	-105.91
CC(O)(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010822543	1	30	-2.0	-105.26	303.91	-0.65	-105.91
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC(C)(O)C(=O)[O-]	REAL300010822546	1	32	-2.0	-119.42	315.10	1.09	-118.33
CC(O)(C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010822549	1	28	-2.0	-106.27	290.78	0.68	-105.59
CC1=NC(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010822559	1	37	-2.0	-123.35	338.95	-0.95	-124.30
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010822578	1	34	-2.0	-94.48	318.60	-1.84	-96.32
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=N[N-]1	REAL300010822578	1	34	-2.0	-94.43	318.64	-1.84	-96.27
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])=C1	REAL300010822580	0	31	-2.0	-101.68	317.81	-0.65	-102.33
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC(C)(O)C(=O)[O-]	REAL300010822583	1	32	-2.0	-113.94	313.88	1.32	-112.62
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C)(O)C(=O)[O-])C(F)=C1	REAL300010822585	1	32	-2.0	-115.38	300.89	-0.33	-115.71
CC(O)(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010822590	1	25	-2.0	-100.69	287.98	0.19	-100.50
CC(O)(C[N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010822596	1	25	-2.0	-108.45	281.40	0.11	-108.34
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C)(O)C(=O)[O-]	REAL300010822599	1	31	-2.0	-126.52	295.52	-2.34	-128.86
CC(O)(C[N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010822626	0	26	-2.0	-110.15	276.26	-2.10	-112.25
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])S1	REAL300010822633	1	37	-2.0	-94.32	342.26	-1.66	-95.98
CC(O)(C[N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010822637	0	27	-2.0	-115.27	283.79	-1.07	-116.34
CC(O)(C[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010822661	1	30	-2.0	-119.47	288.51	-0.62	-120.09
CC(O)(C[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010822665	0	27	-2.0	-107.68	291.30	-0.52	-108.20
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC(C)(O)C(=O)[O-]	REAL300010822677	1	34	-2.0	-111.84	330.99	2.22	-109.62
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC(C)(O)C(=O)[O-]	REAL300010822679	1	34	-2.0	-129.05	315.49	1.70	-127.35
CC(O)(C[N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010822685	0	24	-2.0	-100.73	266.83	-1.49	-102.22
CC(O)(CNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010822693	0	33	-2.0	-102.58	312.29	0.41	-102.17
CC(C)(C[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010822714	1	30	-2.0	-108.99	289.44	3.38	-105.61
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010822740	1	27	-2.0	-106.80	294.20	3.36	-103.44
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010822745	1	30	-2.0	-107.64	311.12	5.00	-102.64
CC(C)(C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010822749	0	30	-2.0	-106.76	303.27	3.92	-102.84
CC(C)(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010822751	1	30	-2.0	-106.69	303.85	3.92	-102.77
CC(C)(C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010822752	1	30	-2.0	-105.80	288.96	3.38	-102.42
CC(C)(C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010822761	0	30	-2.0	-112.46	286.27	3.55	-108.91
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010822809	1	34	-2.0	-117.07	309.00	3.68	-113.39
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])C(F)=C1Cl	REAL300010822823	0	37	-2.0	-120.04	349.18	3.00	-117.04
COC(=O)C1=CC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C(Br)O1	REAL300010822828	1	33	-2.0	-104.81	330.11	2.60	-102.21
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])O1	REAL300010822842	1	33	-2.0	-107.86	310.90	1.99	-105.87
CC(C)(C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010822844	0	32	-2.0	-129.62	296.76	4.94	-124.68
CC(C)(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010822847	1	30	-2.0	-119.01	290.99	4.14	-114.87
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010822856	0	32	-2.0	-115.25	318.16	5.95	-109.30
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010822888	1	32	-2.0	-125.94	305.05	5.43	-120.51
CN1C=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])C(=O)N(C)C1=O	REAL300010822940	1	36	-2.0	-117.70	317.35	2.22	-115.48
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010822953	1	36	-2.0	-130.05	325.49	1.70	-128.35
CC(C)(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010822979	1	32	-2.0	-119.51	306.63	5.30	-114.21
CC(C)C1=NC=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])[N-]1	REAL300010824105	1	36	-2.0	-108.90	322.28	4.65	-104.25
CC(C)C1=NC(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])=C[N-]1	REAL300010824105	1	36	-2.0	-108.66	322.18	4.63	-104.03
COC(=O)C1=CC(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])=C[N-]1	REAL300010824112	0	34	-2.0	-104.61	320.37	4.63	-99.98
CCOC(=O)C1=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])[N-]N=C1	REAL300010824224	0	36	-2.0	-108.07	324.63	4.78	-103.29
CCOC(=O)C1=C[N-]N=C1S(=O)(=O)OC1=CC=CC=C1CC(=O)[O-]	REAL300010824224	1	36	-2.0	-107.88	324.81	4.77	-103.11
CCOC(=O)C1=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])[N-]N=C1C	REAL300010824349	0	39	-2.0	-108.72	352.51	5.54	-103.18
CCOC(=O)C1=C(C)[N-]N=C1S(=O)(=O)OC1=CC=CC=C1CC(=O)[O-]	REAL300010824349	1	39	-2.0	-108.86	352.62	5.53	-103.33
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])C=C1	REAL300010824359	1	38	-2.0	-101.20	350.42	3.55	-97.65
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010824441	0	35	-2.0	-105.39	338.48	5.79	-99.60
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010824441	1	35	-2.0	-105.36	338.54	5.78	-99.58
CC(=O)[N-]C1=NC=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])S1	REAL300010824618	1	33	-2.0	-101.37	321.53	3.23	-98.14
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=C(Cl)[N-]N=C1	REAL300010824725	0	27	-2.0	-97.87	270.03	3.44	-94.43
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=C[N-]N=C1Cl	REAL300010824725	1	27	-2.0	-97.77	270.41	3.44	-94.33
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=C(C(F)(F)F)[N-]N=C1	REAL300010824823	0	30	-2.0	-98.35	293.06	4.04	-94.31
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=C[N-]N=C1C(F)(F)F	REAL300010824823	1	30	-2.0	-98.67	293.26	4.04	-94.63
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=C(Br)N=C[N-]1	REAL300010824843	0	27	-2.0	-100.94	277.40	4.34	-96.60
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=C(Br)[N-]C=N1	REAL300010824843	1	27	-2.0	-100.99	277.27	4.37	-96.62
COC(=O)C1=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])[N-]N=C1	REAL300010824874	0	33	-2.0	-107.60	302.76	3.85	-103.75
COC(=O)C1=C[N-]N=C1S(=O)(=O)OC1=CC=CC=C1CC(=O)[O-]	REAL300010824874	1	33	-2.0	-107.44	302.95	3.84	-103.60
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010824949	0	33	-2.0	-104.16	312.86	7.43	-96.73
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=C(C2CCC2)[N-]N=C1	REAL300010824972	1	37	-2.0	-103.65	324.06	5.72	-97.93
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=C[N-]N=C1C1CCC1	REAL300010824972	1	37	-2.0	-103.70	324.18	5.70	-98.00
CCOC(=O)C1=N[N-]C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])=C1	REAL300010825061	0	36	-2.0	-103.52	338.09	4.55	-98.97
CCOC(=O)C1=CC(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])=N[N-]1	REAL300010825061	1	36	-2.0	-103.63	338.07	4.55	-99.08
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])S1	REAL300010825101	1	39	-2.0	-101.46	357.59	4.78	-96.68
CC(C)C1=NC=C(S(=O)(=O)OC2=CC=CC=C2C(=O)[O-])[N-]1	REAL300010825274	1	33	-2.0	-126.90	291.43	3.87	-123.03
CC(C)C1=NC(S(=O)(=O)OC2=CC=CC=C2C(=O)[O-])=C[N-]1	REAL300010825274	1	33	-2.0	-126.60	291.32	3.83	-122.77
COC(=O)C1=CC(S(=O)(=O)OC2=CC=CC=C2C(=O)[O-])=C[N-]1	REAL300010825282	0	31	-2.0	-121.06	288.52	3.69	-117.37
CCOC(=O)C1=C(S(=O)(=O)OC2=CC=CC=C2C(=O)[O-])[N-]N=C1	REAL300010825398	0	33	-2.0	-123.04	293.97	3.95	-119.09
CCOC(=O)C1=C[N-]N=C1S(=O)(=O)OC1=CC=CC=C1C(=O)[O-]	REAL300010825398	1	33	-2.0	-123.05	294.15	3.94	-119.11
CCOC(=O)C1=C(S(=O)(=O)OC2=CC=CC=C2C(=O)[O-])[N-]N=C1C	REAL300010825521	0	36	-2.0	-117.44	329.68	5.19	-112.25
CCOC(=O)C1=C(C)[N-]N=C1S(=O)(=O)OC1=CC=CC=C1C(=O)[O-]	REAL300010825521	1	36	-2.0	-117.56	329.79	5.18	-112.38
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)OC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300010825527	0	35	-2.0	-118.75	322.56	2.78	-115.97
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)OC2=CC=CC=C2C(=O)[O-])C=C1	REAL300010825533	1	35	-2.0	-107.13	327.02	3.27	-103.86
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010825618	0	32	-2.0	-109.04	314.87	5.52	-103.52
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010825618	1	32	-2.0	-108.93	314.93	5.51	-103.42
CC(=O)[N-]C1=NC=C(S(=O)(=O)OC2=CC=CC=C2C(=O)[O-])S1	REAL300010825813	1	30	-2.0	-106.74	298.67	2.89	-103.85
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=C(Cl)[N-]N=C1	REAL300010825922	0	24	-2.0	-115.38	238.49	2.32	-113.06
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=C[N-]N=C1Cl	REAL300010825922	1	24	-2.0	-115.29	238.86	2.30	-112.99
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=C(C(F)(F)F)[N-]N=C1	REAL300010826029	0	27	-2.0	-112.78	273.34	3.79	-108.99
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=C[N-]N=C1C(F)(F)F	REAL300010826029	1	27	-2.0	-107.44	268.70	3.47	-103.97
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=C(Br)[N-]C=N1	REAL300010826049	0	24	-2.0	-114.96	245.64	3.43	-111.53
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=C(Br)N=C[N-]1	REAL300010826049	1	24	-2.0	-114.87	245.77	3.42	-111.45
COC(=O)C1=C(S(=O)(=O)OC2=CC=CC=C2C(=O)[O-])[N-]N=C1	REAL300010826081	0	30	-2.0	-121.91	272.12	3.02	-118.89
COC(=O)C1=C[N-]N=C1S(=O)(=O)OC1=CC=CC=C1C(=O)[O-]	REAL300010826081	1	30	-2.0	-121.91	272.28	3.02	-118.89
O=C([O-])C1=CC=C(F)C(S(=O)(=O)OC2=CC=CC=C2C(=O)[O-])=C1	REAL300010826164	0	30	-2.0	-114.89	280.90	6.54	-108.35
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=C(C2CCC2)[N-]N=C1	REAL300010826190	1	34	-2.0	-121.49	295.44	4.97	-116.52
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=C[N-]N=C1C1CCC1	REAL300010826190	1	34	-2.0	-121.74	295.48	4.94	-116.80
CCOC(=O)C1=N[N-]C(S(=O)(=O)OC2=CC=CC=C2C(=O)[O-])=C1	REAL300010826281	0	33	-2.0	-123.75	306.79	3.66	-120.09
CCOC(=O)C1=CC(S(=O)(=O)OC2=CC=CC=C2C(=O)[O-])=N[N-]1	REAL300010826281	1	33	-2.0	-123.75	306.84	3.67	-120.08
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)OC2=CC=CC=C2C(=O)[O-])S1	REAL300010826322	1	36	-2.0	-120.27	326.20	3.72	-116.55
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010826854	0	42	-2.0	-105.06	372.07	5.45	-99.61
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010826854	1	42	-2.0	-104.96	372.13	5.45	-99.51
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300010827039	1	40	-2.0	-92.91	355.11	2.79	-90.12
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010827099	0	41	-2.0	-88.39	353.00	6.04	-82.35
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010827306	0	38	-2.0	-89.71	320.51	5.08	-84.63
O=C([O-])CCC1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010827346	0	45	-2.0	-106.50	356.57	5.98	-100.52
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300010827393	0	40	-2.0	-96.44	344.34	6.91	-89.53
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010827398	0	38	-2.0	-96.66	347.03	6.09	-90.57
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010827480	0	38	-2.0	-89.71	320.51	5.08	-84.63
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300010827529	1	43	-2.0	-95.35	370.73	4.08	-91.27
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=N[N-]1	REAL300010827529	1	43	-2.0	-95.37	370.84	4.07	-91.30
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)S1	REAL300010827585	1	46	-2.0	-94.61	394.61	4.24	-90.37
CC1=CC=C([O-])C(S(=O)(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300010827663	1	41	-2.0	-94.88	335.69	5.70	-89.18
O=C([O-])CCC1CCCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010827664	0	42	-2.0	-101.45	361.89	6.36	-95.09
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010828089	1	42	-2.0	-107.31	360.36	2.17	-105.14
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010828186	0	39	-2.0	-107.99	347.43	4.51	-103.48
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010828186	1	39	-2.0	-107.94	347.49	4.50	-103.44
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300010828383	1	37	-2.0	-98.28	331.71	1.85	-96.43
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010828447	0	38	-2.0	-106.75	328.54	5.10	-101.65
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010828672	0	35	-2.0	-107.93	295.88	4.13	-103.80
CC1CCC(C(=O)[O-])CN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010828717	0	42	-2.0	-100.69	328.11	5.22	-95.47
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010828767	0	37	-2.0	-104.69	315.50	5.85	-98.84
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010828772	0	35	-2.0	-106.08	322.39	5.14	-100.94
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010828856	0	35	-2.0	-107.93	295.88	4.13	-103.80
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300010828909	1	40	-2.0	-98.75	345.95	3.13	-95.62
CCOC(=O)C1=CC(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=N[N-]1	REAL300010828909	1	40	-2.0	-98.74	346.05	3.14	-95.60
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)S1	REAL300010828968	1	43	-2.0	-98.43	366.91	3.17	-95.26
CC1=CC=C([O-])C(S(=O)(=O)N2CC(C(=O)[O-])CCC2C)=C1	REAL300010829042	1	38	-2.0	-117.14	311.06	4.74	-112.40
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010829043	0	39	-2.0	-98.71	338.27	5.47	-93.24
CC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)C1	REAL300010829468	1	42	-2.0	-94.96	362.97	2.45	-92.51
CC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010829565	0	39	-2.0	-88.54	352.38	4.59	-83.95
CC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010829565	1	39	-2.0	-88.53	352.44	4.59	-83.94
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300010829762	1	37	-2.0	-97.68	335.86	1.91	-95.77
CC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010829826	0	38	-2.0	-105.18	331.39	5.29	-99.89
CC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010830051	0	35	-2.0	-106.36	298.63	4.34	-102.02
CC1CC(C(=O)[O-])CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010830096	0	42	-2.0	-102.95	337.23	5.44	-97.51
CC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300010830146	0	37	-2.0	-96.49	320.67	6.19	-90.30
CC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010830151	0	35	-2.0	-89.74	328.22	5.27	-84.47
CC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010830235	0	35	-2.0	-106.36	298.63	4.34	-102.02
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300010830288	1	40	-2.0	-96.57	347.09	3.37	-93.20
CCOC(=O)C1=CC(S(=O)(=O)N2CC(C)CC(C(=O)[O-])C2)=N[N-]1	REAL300010830288	1	40	-2.0	-96.68	347.20	3.37	-93.31
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CC(C)CC(C(=O)[O-])C2)S1	REAL300010830347	1	43	-2.0	-97.08	365.77	3.53	-93.55
CC1=CC=C([O-])C(S(=O)(=O)N2CC(C)CC(C(=O)[O-])C2)=C1	REAL300010830421	1	38	-2.0	-115.38	313.74	4.94	-110.44
CC1CC(C(=O)[O-])CN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010830422	0	39	-2.0	-109.86	338.20	5.63	-104.23
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)S1	REAL300010830849	1	41	-2.0	-95.63	376.94	3.92	-91.71
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=NC=C[N-]2)C[C@H]1C1=CC=CC=C1	REAL300010830977	0	35	-2.0	-99.94	313.72	3.66	-96.28
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C[C@H]1C1=CC=CC=C1	REAL300010831014	0	39	-2.0	-105.04	343.59	6.27	-98.77
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1C1=CC=CC=C1	REAL300010831047	0	46	-2.0	-117.93	383.18	7.27	-110.66
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1	REAL300010831081	0	41	-2.0	-99.04	365.48	8.07	-90.97
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C[C@H]1C1=CC=CC=C1	REAL300010831142	0	39	-2.0	-105.04	343.59	6.27	-98.77
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1	REAL300010831177	1	44	-2.0	-97.09	392.66	5.19	-91.90
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=N[N-]1	REAL300010831177	1	44	-2.0	-97.11	392.77	5.19	-91.92
CC1=CC=C([O-])C(S(=O)(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)=C1	REAL300010831272	1	42	-2.0	-112.40	358.60	6.83	-105.57
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)CC1	REAL300010831697	1	42	-2.0	-99.84	357.75	1.98	-97.86
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300010831794	0	39	-2.0	-101.21	344.83	4.31	-96.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300010831794	1	39	-2.0	-101.22	344.89	4.31	-96.91
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300010831991	1	37	-2.0	-102.42	328.33	1.64	-100.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010832055	0	38	-2.0	-99.00	325.70	4.89	-94.11
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010832280	0	35	-2.0	-100.22	293.31	3.95	-96.27
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010832325	0	42	-2.0	-97.95	332.00	4.93	-93.02
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CC1	REAL300010832375	0	37	-2.0	-100.94	315.89	5.73	-95.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010832380	0	35	-2.0	-98.49	319.80	4.95	-93.54
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010832464	0	35	-2.0	-100.22	293.31	3.95	-96.27
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300010832517	1	40	-2.0	-91.77	342.74	2.94	-88.83
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)=N[N-]1	REAL300010832517	1	40	-2.0	-91.69	342.84	2.93	-88.76
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300010832576	1	43	-2.0	-101.52	364.34	2.95	-98.57
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300010832650	1	38	-2.0	-107.79	308.37	4.55	-103.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010832651	0	39	-2.0	-97.68	334.52	5.19	-92.49
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010832666	1	27	-2.0	-100.00	299.59	4.53	-95.47
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010832691	1	24	-2.0	-98.48	277.52	2.77	-95.71
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010832695	1	27	-2.0	-100.02	295.02	4.42	-95.60
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010832697	0	27	-2.0	-99.11	287.17	3.34	-95.77
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010832699	1	27	-2.0	-98.97	287.17	3.34	-95.63
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010832748	1	31	-2.0	-108.76	292.32	3.09	-105.67
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CCCC(=O)[O-])C(F)=C1Cl	REAL300010832758	0	34	-2.0	-112.31	332.50	2.42	-109.89
COC(=O)C1=CC(S(=O)(=O)[N-]CCCC(=O)[O-])=C(Br)O1	REAL300010832763	1	30	-2.0	-97.57	314.01	2.01	-95.56
O=C([O-])CCC[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010832777	0	29	-2.0	-121.18	280.66	4.35	-116.83
O=C([O-])CCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010832780	1	27	-2.0	-110.51	274.31	3.55	-106.96
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010832789	0	29	-2.0	-107.08	305.40	5.35	-101.73
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010832819	1	29	-2.0	-117.56	288.36	4.84	-112.72
CN1C=C(S(=O)(=O)[N-]CCCC(=O)[O-])C(=O)N(C)C1=O	REAL300010832867	1	33	-2.0	-111.16	301.25	1.63	-109.53
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010832879	1	33	-2.0	-121.07	308.80	1.12	-119.95
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010832903	1	29	-2.0	-111.61	289.94	4.73	-106.88
COC(=O)C1=CC(S(=O)(=O)[N-]CCCC(=O)[O-])=C(F)C=C1Br	REAL300010832934	1	33	-2.0	-100.96	331.20	3.81	-97.15
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CCCC(=O)[O-])O1	REAL300010832958	1	33	-2.0	-101.35	316.08	2.32	-99.03
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010832963	1	30	-2.0	-109.87	293.13	4.75	-105.12
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010832964	1	29	-2.0	-109.04	294.51	4.83	-104.21
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010832967	1	24	-2.0	-103.75	266.98	2.18	-101.57
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010832970	1	26	-2.0	-99.08	284.29	1.92	-97.16
CCN1C=C(S(=O)(=O)[N-]CCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010832974	1	32	-2.0	-112.48	304.99	3.50	-108.98
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010832975	1	29	-2.0	-115.06	288.08	4.01	-111.05
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010832978	1	29	-2.0	-111.40	294.51	4.83	-106.57
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(F)=C1	REAL300010832981	1	35	-2.0	-94.53	325.46	-0.47	-95.00
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1	REAL300010832996	1	24	-2.0	-98.59	282.15	2.87	-95.72
CC1CCN(S(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)CC1C(=O)[O-]	REAL300010834170	1	42	-2.0	-94.03	357.56	1.99	-92.04
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1C(=O)[O-]	REAL300010834267	0	39	-2.0	-109.21	343.44	4.28	-104.93
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1C(=O)[O-]	REAL300010834267	1	39	-2.0	-109.14	343.50	4.27	-104.87
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300010834464	1	37	-2.0	-94.63	324.84	1.60	-93.03
CC1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1C(=O)[O-]	REAL300010834528	0	38	-2.0	-92.87	333.69	5.13	-87.74
CC1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1C(=O)[O-]	REAL300010834753	0	35	-2.0	-94.20	301.38	4.20	-90.00
CC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1C(=O)[O-]	REAL300010834798	0	42	-2.0	-102.09	330.63	4.97	-97.12
CC1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CC1C(=O)[O-]	REAL300010834848	0	37	-2.0	-105.31	323.33	6.03	-99.28
CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1C(=O)[O-]	REAL300010834853	0	35	-2.0	-89.99	320.06	4.88	-85.11
CC1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1C(=O)[O-]	REAL300010834937	0	35	-2.0	-94.20	301.38	4.20	-90.00
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010834990	1	40	-2.0	-100.11	349.55	3.19	-96.92
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=N[N-]1	REAL300010834990	1	40	-2.0	-100.14	349.65	3.19	-96.95
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300010835049	1	43	-2.0	-97.62	373.61	3.36	-94.26
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010835123	1	38	-2.0	-100.26	316.39	4.81	-95.45
CC1CCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1C(=O)[O-]	REAL300010835124	0	39	-2.0	-112.36	341.31	5.45	-106.91
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCOCC1	REAL300010835146	1	35	-2.0	-113.29	313.87	2.80	-110.49
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCOCC1	REAL300010835149	0	35	-2.0	-130.08	304.32	2.90	-127.18
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCOCC1	REAL300010835173	1	35	-2.0	-122.15	308.75	2.65	-119.50
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCOCC1	REAL300010835175	1	32	-2.0	-112.32	318.65	2.78	-109.54
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCOCC1	REAL300010835187	1	35	-2.0	-111.62	313.98	2.80	-108.82
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCOCC1	REAL300010835199	0	35	-2.0	-118.85	310.72	2.97	-115.88
CN1C=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)=C1Cl	REAL300010835218	1	35	-2.0	-127.32	316.46	2.06	-125.26
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1	REAL300010835253	1	39	-2.0	-122.66	335.28	2.88	-119.78
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)O1	REAL300010835289	1	38	-2.0	-117.58	337.18	1.20	-116.38
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCOCC1	REAL300010835292	0	37	-2.0	-139.72	323.62	4.14	-135.58
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCOCC1	REAL300010835296	1	35	-2.0	-126.56	317.27	3.34	-123.22
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCOCC1	REAL300010835330	1	37	-2.0	-136.25	331.36	4.64	-131.61
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)C(=O)N(C)C1=O	REAL300010835378	1	41	-2.0	-120.85	345.57	1.51	-119.34
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1	REAL300010835394	1	41	-2.0	-136.64	348.69	1.20	-135.44
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCOCC1	REAL300010835421	1	37	-2.0	-121.84	331.89	4.72	-117.12
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCOCC1	REAL300010835461	1	38	-2.0	-124.42	325.58	3.02	-121.40
COC(=O)C1=COC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)=C1	REAL300010835472	1	38	-2.0	-118.60	338.87	1.23	-117.37
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)O1	REAL300010835507	1	41	-2.0	-118.03	359.04	2.13	-115.90
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=CS2)CCOCC1	REAL300010835514	1	32	-2.0	-117.24	309.94	1.97	-115.27
CCN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)C([N+](=O)[O-])=N1	REAL300010835522	1	40	-2.0	-132.39	347.95	3.29	-129.10
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCOCC1	REAL300010835523	1	37	-2.0	-124.62	327.79	3.98	-120.64
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CC(F)=C2F)CCOCC1	REAL300010835545	1	35	-2.0	-121.99	307.60	2.74	-119.25
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)C(F)=C1	REAL300010835569	0	36	-2.0	-117.81	325.10	3.30	-114.51
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCOCC1	REAL300010835584	1	36	-2.0	-133.81	313.43	3.17	-130.64
CC1=C(Br)SC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)=N1	REAL300010835620	0	34	-2.0	-114.63	327.34	0.71	-113.92
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCOCC1	REAL300010835628	0	35	-2.0	-108.30	323.05	3.10	-105.20
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCOCC1	REAL300010835637	1	34	-2.0	-118.86	315.84	1.96	-116.90
O=C([O-])C1(C[N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCOCC1	REAL300010835638	1	34	-2.0	-108.54	323.07	1.59	-106.95
COC(=O)C1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)SC=N1	REAL300010835673	0	37	-2.0	-124.45	331.64	0.86	-123.59
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CCOCC1	REAL300010835682	1	32	-2.0	-117.13	302.01	1.11	-116.02
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCOCC1	REAL300010835692	1	35	-2.0	-127.17	313.69	3.20	-123.97
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCOCC1	REAL300010835749	1	35	-2.0	-111.16	330.98	3.75	-107.41
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCOCC1	REAL300010835762	0	35	-2.0	-118.00	316.89	3.03	-114.97
CC1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)C(N)=NO1	REAL300010835790	1	36	-2.0	-110.14	304.07	-0.18	-110.32
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCOCC1	REAL300010835791	0	37	-2.0	-112.50	346.75	3.75	-108.75
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCOCC1	REAL300010835793	1	37	-2.0	-107.01	341.95	3.73	-103.28
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCOCC1	REAL300010835794	1	35	-2.0	-111.64	325.82	4.00	-107.64
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300010835800	1	38	-2.0	-95.99	338.48	-0.86	-96.85
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCOCC1	REAL300010835822	0	35	-2.0	-124.24	318.15	3.49	-120.75
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCOCC1	REAL300010835827	1	35	-2.0	-122.58	319.07	3.10	-119.48
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1	REAL300010835833	0	43	-2.0	-119.61	363.74	4.12	-115.49
N#CC1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)O1	REAL300010835847	1	33	-2.0	-113.62	302.92	1.03	-112.59
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)=C(Br)N1C	REAL300010835853	1	38	-2.0	-128.58	338.25	1.86	-126.72
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCOCC1	REAL300010835857	0	39	-2.0	-94.95	335.69	2.50	-92.45
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)C(C(F)(F)F)=N1	REAL300010835883	1	38	-2.0	-123.22	336.27	1.25	-121.97
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCOCC1	REAL300010835884	1	37	-2.0	-112.84	336.93	4.78	-108.06
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CS2)CCOCC1	REAL300010835886	1	32	-2.0	-120.34	295.91	1.46	-118.88
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCOCC1	REAL300010835901	1	38	-2.0	-121.06	333.04	2.99	-118.07
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCOCC1	REAL300010835902	1	38	-2.0	-126.20	348.15	4.58	-121.62
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CS2)CCOCC1	REAL300010835908	1	32	-2.0	-118.12	305.61	1.86	-116.26
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2Br)CCOCC1	REAL300010835969	1	34	-2.0	-128.96	309.37	1.32	-127.64
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)=C1F	REAL300010835977	1	41	-2.0	-127.05	362.44	3.14	-123.91
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)O1	REAL300010835987	1	41	-2.0	-115.23	353.25	2.00	-113.23
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CCOCC1	REAL300010835994	1	34	-2.0	-120.42	319.60	1.07	-119.35
COC(=O)C1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)OC=C1	REAL300010835998	0	38	-2.0	-129.77	327.94	2.08	-127.69
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)=N1	REAL300010836000	0	37	-2.0	-134.94	326.06	1.48	-133.46
CC1=NSC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)=C1	REAL300010836005	1	34	-2.0	-112.70	304.30	0.91	-111.79
O=C([O-])C1(C[N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCOCC1	REAL300010836008	1	35	-2.0	-119.35	313.31	-0.08	-119.43
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)NC=N2)CCOCC1	REAL300010836028	1	32	-2.0	-122.41	295.16	0.63	-121.78
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCOCC1	REAL300010836030	1	34	-2.0	-111.84	320.85	1.84	-110.00
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCOCC1	REAL300010836031	1	34	-2.0	-120.07	315.01	1.00	-119.07
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)N=C2F)CCOCC1	REAL300010836032	1	34	-2.0	-119.19	304.55	0.51	-118.68
CS(C)(=O)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1	REAL300010836035	1	35	-2.0	-146.34	302.20	-1.53	-147.87
O=C([O-])C1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CCOCC1	REAL300010836036	1	39	-2.0	-148.88	326.96	-0.09	-148.97
CCS(=O)(CC)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1	REAL300010836042	1	41	-2.0	-148.37	341.25	0.13	-148.24
CN1N=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)=C1C(F)(F)F	REAL300010836052	1	38	-2.0	-114.91	330.78	1.04	-113.87
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CCOCC1	REAL300010836062	0	36	-2.0	-96.25	303.04	1.55	-94.70
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1	REAL300010836064	1	38	-2.0	-135.65	326.82	0.27	-135.38
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1	REAL300010836067	0	44	-2.0	-153.55	360.41	0.55	-153.00
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=NS2)CCOCC1	REAL300010836078	1	31	-2.0	-114.44	284.37	0.09	-114.35
O=C([O-])C1CCN(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300010836100	0	43	-2.0	-109.61	342.10	2.53	-107.08
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=CO2)CCOCC1	REAL300010836108	0	32	-2.0	-119.03	299.91	1.21	-117.82
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1	REAL300010836118	1	39	-2.0	-125.42	332.27	3.29	-122.13
CC1=CSC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)=N1	REAL300010836128	1	34	-2.0	-121.02	306.12	-0.06	-121.08
CN1N=NN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1	REAL300010836132	1	33	-2.0	-104.25	285.19	-1.33	-105.58
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300010836146	0	38	-2.0	-99.45	324.83	3.20	-96.25
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCOCC1	REAL300010836148	1	38	-2.0	-129.90	328.42	1.72	-128.18
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOCC1	REAL300010836151	0	36	-2.0	-97.98	326.80	2.58	-95.40
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CCOCC1	REAL300010836181	1	32	-2.0	-117.13	302.01	1.11	-116.02
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCOCC1	REAL300010836209	1	35	-2.0	-114.88	322.85	1.70	-113.18
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CCOCC1	REAL300010836232	0	36	-2.0	-96.25	303.04	1.55	-94.70
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCOCC1	REAL300010836236	1	37	-2.0	-118.86	337.86	1.80	-117.06
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)O2)CCOCC1	REAL300010836237	1	32	-2.0	-116.72	297.38	1.00	-115.72
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCOCC1	REAL300010836239	1	37	-2.0	-118.86	337.86	1.80	-117.06
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCOCC1	REAL300010836243	1	35	-2.0	-113.33	323.32	3.23	-110.10
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)=C(C2=CC=CC=C2)O1	REAL300010836255	1	44	-2.0	-129.79	373.39	1.69	-128.10
CCN1N=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)=N1	REAL300010836271	1	37	-2.0	-118.36	316.52	-0.52	-118.88
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300010836281	1	41	-2.0	-98.56	354.83	0.54	-98.02
CCOC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)=N[N-]1	REAL300010836281	1	41	-2.0	-98.35	354.93	0.55	-97.80
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)=C1	REAL300010836283	0	38	-2.0	-110.28	350.38	1.90	-108.38
COC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)C(F)=C1	REAL300010836287	1	39	-2.0	-126.12	334.84	2.10	-124.02
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCOCC1	REAL300010836291	1	32	-2.0	-108.69	324.06	2.59	-106.10
N#CC1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)OC=C1	REAL300010836299	1	33	-2.0	-118.61	299.97	1.06	-117.55
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1	REAL300010836300	1	38	-2.0	-135.65	326.82	0.27	-135.38
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=C(Br)C=N2)CCOCC1	REAL300010836329	0	33	-2.0	-120.86	308.82	0.44	-120.42
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2Cl)CCOCC1	REAL300010836332	1	34	-2.0	-129.63	305.71	1.19	-128.44
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)S1	REAL300010836337	1	44	-2.0	-95.81	376.78	0.80	-95.01
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CCOCC1	REAL300010836340	0	34	-2.0	-124.82	318.53	1.24	-123.58
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CCOCC1	REAL300010836370	1	37	-2.0	-127.20	318.83	2.22	-124.98
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1	REAL300010836390	1	41	-2.0	-137.37	350.76	3.99	-133.38
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=NS2)CCOCC1	REAL300010836395	0	31	-2.0	-109.35	302.92	0.91	-108.44
CC1=CC=C([O-])C(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300010836415	1	39	-2.0	-103.68	318.05	2.15	-101.53
O=C([O-])C1(CNS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CCOCC1	REAL300010836416	0	40	-2.0	-107.19	343.95	2.87	-104.32
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)S1	REAL300010837015	1	41	-2.0	-96.29	361.26	1.04	-95.25
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010837069	0	42	-2.0	-106.61	358.72	4.32	-102.29
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=NC=C[N-]1	REAL300010837191	0	35	-2.0	-100.09	298.10	0.78	-99.31
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010837246	0	39	-2.0	-107.86	326.39	3.39	-104.47
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010837282	0	46	-2.0	-100.89	361.36	4.22	-96.67
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010837326	0	41	-2.0	-97.48	348.22	5.13	-92.35
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010837331	0	39	-2.0	-105.76	352.76	4.39	-101.37
O=C([O-])CCN(C1CCOCC1)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010837409	0	39	-2.0	-107.86	326.39	3.39	-104.47
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300010837454	1	44	-2.0	-100.12	376.71	2.35	-97.77
CCOC(=O)C1=CC(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=N[N-]1	REAL300010837454	1	44	-2.0	-100.00	376.81	2.35	-97.65
CC1=CC=C([O-])C(S(=O)(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300010837576	1	42	-2.0	-116.80	341.40	3.98	-112.82
CC1CCCN(S(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)C1C(=O)[O-]	REAL300010838001	1	42	-2.0	-105.71	351.02	3.09	-102.62
CC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1C(=O)[O-]	REAL300010838098	0	39	-2.0	-120.34	337.15	5.29	-115.05
CC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1C(=O)[O-]	REAL300010838098	1	39	-2.0	-120.31	337.21	5.28	-115.03
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCC(C)C2C(=O)[O-])S1	REAL300010838295	1	37	-2.0	-105.50	309.84	2.49	-103.01
CC1CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1C(=O)[O-]	REAL300010838359	0	38	-2.0	-107.75	320.25	5.69	-102.06
CC1CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1C(=O)[O-]	REAL300010838584	0	35	-2.0	-110.62	287.34	4.64	-105.98
CC1CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1C(=O)[O-]	REAL300010838629	0	42	-2.0	-108.78	314.84	5.16	-103.62
CC1CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1C(=O)[O-]	REAL300010838679	0	37	-2.0	-124.23	309.21	6.86	-117.37
CC1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1C(=O)[O-]	REAL300010838684	0	35	-2.0	-104.93	313.49	5.73	-99.20
CC1CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1C(=O)[O-]	REAL300010838768	0	35	-2.0	-110.62	287.34	4.64	-105.98
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCC(C)C2C(=O)[O-])=C1	REAL300010838821	1	40	-2.0	-113.04	325.87	3.71	-109.33
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC(C)C2C(=O)[O-])=N[N-]1	REAL300010838821	1	40	-2.0	-112.97	326.05	3.72	-109.25
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCC(C)C2C(=O)[O-])S1	REAL300010838880	1	43	-2.0	-113.21	356.84	4.11	-109.10
CC1=CC=C([O-])C(S(=O)(=O)N2CCCC(C)C2C(=O)[O-])=C1	REAL300010838954	1	38	-2.0	-115.42	302.96	5.35	-110.07
CC1CCCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1C(=O)[O-]	REAL300010838955	0	39	-2.0	-133.64	328.75	6.72	-126.92
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010838979	1	33	-2.0	-102.94	306.04	3.67	-99.27
CC(C)(CC[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010838984	0	33	-2.0	-114.96	295.90	3.75	-111.21
CC(C)(CCNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010840011	0	41	-2.0	-98.48	335.70	3.57	-94.91
CC(C)(CC[N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010840021	0	30	-2.0	-105.04	289.14	2.15	-102.89
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010840032	1	37	-2.0	-110.47	324.39	4.16	-106.31
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C1	REAL300010840056	0	36	-2.0	-99.18	346.59	2.87	-96.31
CC(C)(CCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010840060	0	36	-2.0	-96.30	316.30	4.19	-92.11
CC(C)(CC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010840063	1	36	-2.0	-114.31	317.39	2.72	-111.59
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010840066	0	34	-2.0	-88.22	320.84	3.53	-84.69
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010840097	1	30	-2.0	-101.71	292.34	2.21	-99.50
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010840123	1	33	-2.0	-100.25	311.81	2.70	-97.55
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010840141	1	38	-2.0	-108.87	350.13	5.00	-103.87
CC(C)(CCNS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010840145	0	34	-2.0	-90.06	294.50	2.54	-87.52
CC(C)(CC[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010840146	1	39	-2.0	-104.23	364.63	4.80	-99.43
CC(C)(CC[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010840152	0	33	-2.0	-105.70	317.18	4.38	-101.32
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010840153	1	35	-2.0	-101.98	328.97	2.76	-99.22
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010840156	1	35	-2.0	-101.98	328.97	2.76	-99.22
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010840158	1	37	-2.0	-114.45	339.24	4.49	-109.96
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010840161	1	33	-2.0	-102.26	314.91	4.08	-98.18
CC1=NC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010840173	1	42	-2.0	-119.94	364.01	2.46	-117.48
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010840194	1	39	-2.0	-90.86	344.96	1.60	-89.26
CCOC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=N[N-]1	REAL300010840194	1	39	-2.0	-90.86	345.01	1.59	-89.27
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C1	REAL300010840196	0	36	-2.0	-98.69	342.52	2.76	-95.93
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010840199	1	37	-2.0	-109.56	338.01	4.72	-104.84
COC1=CC(F)=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010840201	1	37	-2.0	-110.59	325.95	3.07	-107.52
CC(C)(CC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010840206	1	30	-2.0	-96.67	313.04	3.59	-93.08
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010840215	1	36	-2.0	-121.63	320.23	1.07	-120.56
CC(C)(CC[N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010840246	0	31	-2.0	-106.34	300.39	1.30	-105.04
CC(C)(CC[N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010840249	1	32	-2.0	-113.43	296.82	2.15	-111.28
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010840254	1	42	-2.0	-91.76	368.84	1.79	-89.97
CC(C)(CC[N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010840258	0	32	-2.0	-110.55	308.27	2.32	-108.23
CC(C)(CC[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010840284	1	35	-2.0	-114.36	312.65	2.78	-111.58
CC(C)(CC[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010840290	0	32	-2.0	-103.62	316.01	2.88	-100.74
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010840304	1	39	-2.0	-106.90	355.12	5.63	-101.27
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010840306	1	39	-2.0	-123.80	340.55	5.10	-118.70
CC(C)(CC[N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010840312	0	29	-2.0	-97.00	291.88	1.91	-95.09
CC1=CC=C([O-])C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010840324	1	37	-2.0	-96.47	310.09	3.15	-93.32
CC(C)(CCNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010840325	0	38	-2.0	-94.61	338.65	3.84	-90.77
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010840350	1	36	-2.0	-124.15	320.24	4.38	-119.77
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010840353	0	36	-2.0	-134.82	310.68	4.48	-130.34
CCC(CC)(C[N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010840379	1	36	-2.0	-126.11	314.07	4.32	-121.79
CCC(CC)(C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010840381	1	33	-2.0	-111.24	323.08	4.51	-106.73
CCC(CC)(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010840387	1	36	-2.0	-117.67	342.51	6.00	-111.67
CCC(CC)(C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010840394	1	36	-2.0	-113.37	315.89	4.41	-108.96
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010840406	0	36	-2.0	-123.32	317.08	4.55	-118.77
CCC(CC)(C[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010840423	1	36	-2.0	-134.46	320.65	3.70	-130.76
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010840461	1	40	-2.0	-127.11	337.91	4.83	-122.28
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300010840497	1	39	-2.0	-115.38	337.24	3.02	-112.36
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010840500	0	38	-2.0	-137.91	328.27	5.94	-131.97
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010840504	1	36	-2.0	-128.40	319.89	5.30	-123.10
CCC(CC)(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010840511	0	38	-2.0	-128.66	348.97	6.95	-121.71
CCC(CC)(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010840540	1	38	-2.0	-132.83	332.23	6.44	-126.39
CCC(CC)(C[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010840592	1	42	-2.0	-125.06	348.74	3.20	-121.86
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(CC)(CC)C(=O)[O-]	REAL300010840607	1	42	-2.0	-141.82	356.30	2.70	-139.12
CCC(CC)(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010840634	1	38	-2.0	-132.35	337.43	6.31	-126.04
CCC(CC)(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010840674	1	39	-2.0	-130.07	330.01	4.75	-125.32
CCC(CC)(C[N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010840686	1	39	-2.0	-121.50	340.14	3.10	-118.40
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC(CC)(CC)C(=O)[O-])O1	REAL300010840721	1	42	-2.0	-121.88	363.57	3.91	-117.97
CCC(CC)(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010840728	1	39	-2.0	-126.80	340.59	6.35	-120.45
CCC(CC)(C[N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010840730	1	33	-2.0	-121.79	314.47	3.77	-118.02
CCC(CC)(C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010840736	1	35	-2.0	-116.06	331.78	3.52	-112.54
CCN1C=C(S(=O)(=O)[N-]CC(CC)(CC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010840739	1	41	-2.0	-136.64	352.48	5.08	-131.56
CCC(CC)(C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010840740	1	38	-2.0	-126.61	330.00	5.59	-121.02
CCC(CC)(CNS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010840745	1	44	-2.0	-98.80	370.93	1.10	-97.70
CCC(CC)(C[N-]S(=O)(=O)C1=CC=CC(F)=C1F)C(=O)[O-]	REAL300010840764	1	36	-2.0	-132.90	313.95	4.32	-128.58
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010840795	0	37	-2.0	-122.20	331.46	4.87	-117.33
CCC(CC)(C[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010840810	1	37	-2.0	-128.97	317.12	4.92	-124.05
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010840841	0	41	-2.0	-92.53	360.95	3.61	-88.92
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010840841	1	41	-2.0	-92.52	361.01	3.60	-88.92
CCC(CC)(C[N-]S(=O)(=O)C1=NC(C)=C(Br)S1)C(=O)[O-]	REAL300010840846	0	35	-2.0	-115.59	328.41	2.61	-112.98
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010840854	0	36	-2.0	-110.36	327.49	4.83	-105.53
CCC(CC)(C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010840864	1	35	-2.0	-119.64	319.24	3.81	-115.83
CCC(CC)(C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010840867	1	35	-2.0	-108.06	325.29	3.55	-104.51
CCC(CC)(C[N-]S(=O)(=O)C1=C(C(=O)OC)N=CS1)C(=O)[O-]	REAL300010840900	0	38	-2.0	-123.29	339.06	2.16	-121.13
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010840910	1	33	-2.0	-118.02	306.54	2.91	-115.11
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010840921	1	36	-2.0	-129.06	316.30	5.16	-123.90
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010840976	1	36	-2.0	-118.71	337.33	5.32	-113.39
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010840992	0	36	-2.0	-120.26	321.34	4.76	-115.50
CCC(CC)(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010841007	1	38	-2.0	-111.14	351.49	5.85	-105.29
CCC(CC)(C[N-]S(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300010841026	1	37	-2.0	-111.22	306.68	1.77	-109.45
CCC(CC)(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010841029	0	38	-2.0	-113.39	350.14	5.58	-107.81
CCC(CC)(C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010841031	1	38	-2.0	-110.11	346.41	5.46	-104.65
CCC(CC)(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010841032	1	36	-2.0	-112.32	329.00	5.77	-106.55
CCC(CC)(CNS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010841039	1	39	-2.0	-95.59	344.04	0.90	-94.69
CCC(CC)(C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010841063	0	36	-2.0	-124.20	324.53	5.05	-119.15
CCC(CC)(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010841069	1	36	-2.0	-123.59	322.48	4.93	-118.66
CCC(CC)(C[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010841072	1	38	-2.0	-120.02	347.81	6.20	-113.82
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(CC)(CC)C(=O)[O-]	REAL300010841075	0	44	-2.0	-121.38	365.67	5.74	-115.64
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(C#N)O1)C(=O)[O-]	REAL300010841092	1	34	-2.0	-116.53	304.18	2.89	-113.64
CCC(CC)(C[N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010841100	1	39	-2.0	-129.88	340.87	3.81	-126.07
CCC(CC)(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010841104	0	40	-2.0	-96.70	338.77	4.24	-92.46
CCC(CC)(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010841136	1	39	-2.0	-123.10	337.48	3.17	-119.93
CCC(CC)(C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010841137	1	38	-2.0	-114.29	338.27	6.38	-107.91
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=CS1)C(=O)[O-]	REAL300010841139	1	33	-2.0	-122.71	295.98	3.29	-119.42
CCC(CC)(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010841153	1	39	-2.0	-124.19	338.33	4.66	-119.53
CCC(CC)(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010841154	1	39	-2.0	-126.48	348.99	6.28	-120.20
CCC(CC)(C[N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010841161	1	33	-2.0	-122.76	310.14	3.66	-119.10
CCC(CC)(C[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010841199	1	42	-2.0	-125.82	377.29	5.37	-120.45
CCC(CC)(C[N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010841229	1	35	-2.0	-128.14	310.22	3.01	-125.13
CCC(CC)(C[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010841239	1	42	-2.0	-125.27	366.97	4.93	-120.34
CCC(CC)(C[N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010841249	1	42	-2.0	-116.70	355.14	3.60	-113.10
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010841259	1	35	-2.0	-121.73	322.22	3.03	-118.70
CCC(CC)(C[N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010841263	0	39	-2.0	-133.07	335.54	3.58	-129.49
CCC(CC)(C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010841266	0	38	-2.0	-139.41	330.51	3.10	-136.31
CCC(CC)(C[N-]S(=O)(=O)C1=CC(C)=NS1)C(=O)[O-]	REAL300010841271	1	35	-2.0	-116.95	310.65	2.48	-114.47
CCC(CC)(C[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010841274	1	36	-2.0	-119.11	314.52	1.85	-117.26
CCC(CC)(C[N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010841294	1	33	-2.0	-127.77	298.16	2.16	-125.61
CCC(CC)(C[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010841296	1	35	-2.0	-116.11	327.20	3.41	-112.70
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010841297	1	35	-2.0	-121.30	317.63	2.96	-118.34
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010841298	1	35	-2.0	-114.54	304.61	2.34	-112.20
CCC(CC)(C[N-]S(=O)(=O)N=S(C)(C)=O)C(=O)[O-]	REAL300010841303	1	36	-2.0	-147.61	303.04	0.17	-147.44
CCC(CC)(C[N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010841304	1	40	-2.0	-156.12	331.40	1.64	-154.48
CCC(CC)(C[N-]S(=O)(=O)N=S(=O)(CC)CC)C(=O)[O-]	REAL300010841309	1	42	-2.0	-156.66	346.55	1.79	-154.87
CCC(CC)(C[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010841319	1	39	-2.0	-119.33	335.31	2.83	-116.50
CCC(CC)(CNS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010841329	0	37	-2.0	-102.43	302.79	3.25	-99.18
CCC(CC)(C[N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010841331	1	39	-2.0	-139.17	332.53	1.93	-137.24
CCC(CC)(C[N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010841334	1	45	-2.0	-148.53	362.53	2.43	-146.10
CCC(CC)(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010841373	0	44	-2.0	-96.17	345.91	4.42	-91.75
CCC(CC)(C[N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010841383	0	33	-2.0	-123.56	303.92	2.87	-120.69
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010841393	1	40	-2.0	-129.41	338.59	4.86	-124.55
CCC(CC)(C[N-]S(=O)(=O)C1=NC(C)=CS1)C(=O)[O-]	REAL300010841405	1	35	-2.0	-120.96	305.99	1.79	-119.17
CCC(CC)(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010841423	0	39	-2.0	-102.48	329.48	4.87	-97.61
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010841425	1	39	-2.0	-133.40	331.59	3.41	-129.99
CCC(CC)(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010841428	0	37	-2.0	-96.92	334.08	4.23	-92.69
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010841462	1	33	-2.0	-118.02	306.54	2.91	-115.11
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010841491	1	36	-2.0	-117.92	324.10	3.57	-114.35
CCC(CC)(CNS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010841514	0	37	-2.0	-102.43	302.79	3.25	-99.18
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010841519	1	38	-2.0	-116.86	343.17	3.47	-113.39
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(Cl)O1)C(=O)[O-]	REAL300010841521	1	33	-2.0	-114.80	297.44	2.83	-111.97
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010841523	1	38	-2.0	-116.86	343.17	3.47	-113.39
CCC(CC)(C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010841527	1	36	-2.0	-119.87	327.79	4.96	-114.91
CCC(CC)(C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010841540	1	45	-2.0	-140.01	378.21	3.17	-136.84
CCN1N=CC(S(=O)(=O)[N-]CC(CC)(CC)C(=O)[O-])=N1	REAL300010841557	1	38	-2.0	-121.51	318.55	1.07	-120.44
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=C1	REAL300010841566	1	42	-2.0	-96.36	352.68	2.30	-94.06
CCOC(=O)C1=CC(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])=N[N-]1	REAL300010841566	1	42	-2.0	-96.42	352.72	2.30	-94.12
CCC(CC)(C[N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010841568	0	39	-2.0	-111.77	352.26	3.50	-108.27
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010841572	1	40	-2.0	-127.87	335.69	3.81	-124.06
CCC(CC)(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010841577	1	33	-2.0	-111.54	322.77	4.33	-107.21
CCC(CC)(C[N-]S(=O)(=O)C1=C(C#N)C=CO1)C(=O)[O-]	REAL300010841587	1	34	-2.0	-120.49	302.93	2.81	-117.68
CCC(CC)(C[N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010841588	1	39	-2.0	-139.17	332.53	1.93	-137.24
CCC(CC)(C[N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010841620	0	34	-2.0	-125.07	315.18	2.02	-123.05
CCC(CC)(C[N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010841623	1	35	-2.0	-131.67	311.02	2.86	-128.81
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC(CC)(CC)C(=O)[O-])S1	REAL300010841629	1	45	-2.0	-96.17	381.01	2.45	-93.72
CCC(CC)(C[N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010841633	0	35	-2.0	-129.20	323.06	3.05	-126.15
CCC(CC)(C[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010841661	1	38	-2.0	-133.21	327.43	3.50	-129.71
CCC(CC)(C[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010841667	0	35	-2.0	-119.50	330.22	3.59	-115.91
CCC(CC)(C[N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010841683	1	42	-2.0	-123.39	369.91	6.34	-117.05
CCC(CC)(C[N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010841685	1	42	-2.0	-139.48	350.30	5.84	-133.64
CCC(CC)(C[N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010841691	0	32	-2.0	-109.53	301.63	2.65	-106.88
CCC(CC)(CNS(=O)(=O)C1=CC(C)=CC=C1[O-])C(=O)[O-]	REAL300010841707	1	40	-2.0	-107.25	322.68	3.83	-103.42
CCC(CC)(CNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010841708	0	41	-2.0	-102.96	351.25	4.52	-98.44
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010841723	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-]	REAL300010841748	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-]	REAL300010841752	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-]	REAL300010841754	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-]	REAL300010841756	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-]	REAL300010841804	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-]	REAL300010841827	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-]	REAL300010841830	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-]	REAL300010841839	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-]	REAL300010841869	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-]	REAL300010841915	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-]	REAL300010841927	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-]	REAL300010841950	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-]	REAL300010841980	1	33	-2.0	-125.00	325.25	4.53	-120.47
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CC1=CC=NC=C1)C(=O)[O-]	REAL300010843009	1	39	-2.0	-148.99	357.62	3.10	-145.89
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010843035	1	35	-2.0	-132.24	336.85	6.73	-125.51
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010843076	1	36	-2.0	-131.81	331.34	5.05	-126.76
COC(=O)C1=COC(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010843090	1	36	-2.0	-128.10	343.37	3.32	-124.78
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])O1	REAL300010843124	1	39	-2.0	-122.38	364.91	4.30	-118.08
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010843131	1	30	-2.0	-130.04	315.79	4.17	-125.87
CCN1C=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010843139	1	38	-2.0	-129.49	351.90	5.53	-123.96
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010843140	1	35	-2.0	-140.79	336.82	5.84	-134.95
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010843159	1	33	-2.0	-134.16	320.38	4.10	-130.06
N#CC1=CC(F)=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])C(F)=C1	REAL300010843179	0	34	-2.0	-128.50	332.81	5.23	-123.27
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010843194	1	34	-2.0	-132.44	316.12	5.34	-127.10
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010843236	0	33	-2.0	-116.20	328.82	5.10	-111.10
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010843246	1	32	-2.0	-125.07	322.50	3.98	-121.09
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010843247	1	32	-2.0	-113.99	333.84	3.18	-110.81
COC(=O)C1=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])SC=N1	REAL300010843281	0	35	-2.0	-130.86	343.74	2.32	-128.54
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010843290	1	30	-2.0	-122.72	307.89	3.30	-119.42
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010843299	1	33	-2.0	-132.62	324.03	4.80	-127.82
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010843354	1	33	-2.0	-121.01	338.65	5.69	-115.32
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010843367	0	33	-2.0	-126.96	322.65	5.03	-121.93
CC1=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])C(N)=NO1	REAL300010843394	1	34	-2.0	-116.87	309.91	1.94	-114.93
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010843396	1	33	-2.0	-120.43	333.51	5.91	-114.52
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300010843401	1	36	-2.0	-96.79	352.76	0.62	-96.17
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010843424	0	33	-2.0	-127.85	323.95	5.45	-122.40
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010843429	1	33	-2.0	-129.30	330.21	4.58	-124.72
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(CC1=CC=NC=C1)C(=O)[O-]	REAL300010843435	0	41	-2.0	-127.52	367.55	5.81	-121.71
N#CC1=CC=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])O1	REAL300010843449	1	31	-2.0	-117.56	305.50	3.19	-114.37
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010843459	0	37	-2.0	-109.08	341.42	3.89	-105.19
CN1C=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010843484	1	36	-2.0	-125.04	336.68	3.32	-121.72
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300010843486	1	30	-2.0	-134.96	301.77	3.65	-131.31
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010843499	1	36	-2.0	-126.27	339.68	5.04	-121.23
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010843500	1	36	-2.0	-133.61	354.78	6.59	-127.02
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300010843504	1	30	-2.0	-122.33	306.27	0.80	-121.53
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010843506	1	30	-2.0	-127.57	315.95	3.46	-124.11
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010843560	1	32	-2.0	-134.42	321.11	2.78	-131.64
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])O1	REAL300010843573	1	39	-2.0	-123.38	360.95	3.95	-119.43
COC(=O)C1=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])OC=C1	REAL300010843583	0	36	-2.0	-140.62	336.87	3.98	-136.64
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300010843585	0	35	-2.0	-138.30	335.69	2.97	-135.33
CC1=NSC(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010843590	1	32	-2.0	-121.85	312.00	2.87	-118.98
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010843592	1	33	-2.0	-123.65	324.27	1.52	-122.13
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010843611	1	30	-2.0	-136.43	303.94	2.53	-133.90
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010843613	1	32	-2.0	-117.79	333.44	3.19	-114.60
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010843614	1	32	-2.0	-126.22	320.86	3.17	-123.05
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010843615	1	32	-2.0	-123.48	315.51	2.10	-121.38
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300010843619	1	37	-2.0	-160.16	334.66	1.87	-158.29
CCS(=O)(CC)=NS(=O)(=O)[N-]C(CC1=CC=NC=C1)C(=O)[O-]	REAL300010843624	1	39	-2.0	-158.48	347.89	2.17	-156.31
CN1N=CC(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])=C1C(F)(F)F	REAL300010843634	1	36	-2.0	-123.30	336.96	3.16	-120.14
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010843644	0	34	-2.0	-110.32	310.38	3.68	-106.64
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CC1=CC=NC=C1)C(=O)[O-]	REAL300010843646	1	36	-2.0	-144.00	340.86	1.57	-142.43
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C(CC1=CC=NC=C1)C(=O)[O-]	REAL300010843649	1	42	-2.0	-162.99	367.04	2.49	-160.50
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=NS1	REAL300010843660	1	29	-2.0	-121.39	290.25	2.28	-119.11
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010843680	0	41	-2.0	-101.59	355.64	3.91	-97.68
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010843688	0	30	-2.0	-125.32	310.34	2.67	-122.65
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(CC1=CC=NC=C1)C(=O)[O-]	REAL300010843698	1	37	-2.0	-131.33	341.53	5.09	-126.24
CC1=CSC(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300010843707	1	32	-2.0	-126.37	317.32	1.50	-124.87
CN1N=NN=C1S(=O)(=O)[N-]C(CC1=CC=NC=C1)C(=O)[O-]	REAL300010843711	1	31	-2.0	-115.87	297.75	0.04	-115.83
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010843726	0	36	-2.0	-99.95	332.37	4.50	-95.45
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010843728	1	36	-2.0	-140.87	332.91	3.78	-137.09
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010843731	0	34	-2.0	-105.29	350.00	3.92	-101.37
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010843763	1	30	-2.0	-122.72	307.89	3.30	-119.42
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010843791	1	33	-2.0	-119.10	325.43	3.86	-115.24
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010843814	0	34	-2.0	-110.32	310.38	3.68	-106.64
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010843819	1	35	-2.0	-122.74	349.60	3.26	-119.48
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300010843820	1	30	-2.0	-122.09	303.25	3.19	-118.90
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010843822	1	35	-2.0	-122.74	349.60	3.26	-119.48
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010843825	1	33	-2.0	-125.97	331.02	5.19	-120.78
CC1=NC(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010843837	1	42	-2.0	-141.52	376.17	3.80	-137.72
CCN1N=CC(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300010843852	1	35	-2.0	-123.67	329.29	0.85	-122.82
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010843862	1	39	-2.0	-98.63	364.69	2.04	-96.59
CCOC(=O)C1=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N[N-]1	REAL300010843862	1	39	-2.0	-98.75	364.99	2.03	-96.72
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010843864	0	36	-2.0	-117.02	356.14	3.94	-113.08
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])C(F)=C1	REAL300010843867	1	37	-2.0	-136.46	341.50	4.13	-132.33
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010843871	1	30	-2.0	-117.65	326.66	4.75	-112.90
N#CC1=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])OC=C1	REAL300010843878	1	31	-2.0	-125.76	311.27	2.45	-123.31
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CC1=CC=NC=C1)C(=O)[O-]	REAL300010843879	1	36	-2.0	-144.00	340.86	1.57	-142.43
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010843906	0	31	-2.0	-130.03	316.84	2.29	-127.74
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010843909	1	32	-2.0	-135.33	317.44	2.64	-132.69
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300010843914	1	42	-2.0	-106.89	387.46	2.22	-104.67
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010843944	1	35	-2.0	-138.36	326.50	4.17	-134.19
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(CC1=CC=NC=C1)C(=O)[O-]	REAL300010843961	1	39	-2.0	-147.23	354.19	6.22	-141.01
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010843966	0	29	-2.0	-116.46	307.42	2.97	-113.49
CC1=CC=C([O-])C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010843986	1	37	-2.0	-119.75	324.09	3.57	-116.18
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010845042	0	39	-2.0	-103.32	313.17	4.42	-98.90
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010845091	0	34	-2.0	-108.32	306.41	5.85	-102.47
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010845097	0	32	-2.0	-117.10	309.03	5.24	-111.86
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010845177	0	32	-2.0	-121.14	284.46	3.97	-117.17
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010845226	1	37	-2.0	-119.21	329.03	2.61	-116.60
CCOC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=N[N-]1	REAL300010845226	1	37	-2.0	-119.13	329.13	2.62	-116.51
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010845286	1	40	-2.0	-107.43	357.48	3.16	-104.27
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010845353	0	36	-2.0	-128.85	324.71	5.21	-123.64
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010845378	1	31	-2.0	-138.00	287.41	3.26	-134.74
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010845431	1	31	-2.0	-128.27	299.99	3.09	-125.18
CN1C=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=C1Cl	REAL300010845448	1	31	-2.0	-135.63	300.47	2.55	-133.08
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=NN1C	REAL300010845484	1	35	-2.0	-129.30	316.59	3.25	-126.05
COC(=O)C1=C(F)C=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=C1F	REAL300010845506	1	37	-2.0	-125.22	350.76	3.76	-121.46
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)O1	REAL300010845520	1	34	-2.0	-125.50	328.21	1.90	-123.60
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010845523	0	33	-2.0	-145.70	308.96	4.68	-141.02
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010845530	1	33	-2.0	-129.95	318.26	5.07	-124.88
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010845562	0	33	-2.0	-139.86	313.05	5.16	-134.70
CN1N=CC=C1C([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010845611	1	37	-2.0	-135.29	329.56	1.85	-133.44
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=NN1C	REAL300010845627	1	37	-2.0	-142.15	331.80	1.33	-140.82
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010845654	1	33	-2.0	-136.46	323.91	5.18	-131.28
COC(=O)C1=COC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010845708	1	34	-2.0	-126.52	324.38	1.61	-124.91
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)O1	REAL300010845743	1	37	-2.0	-125.84	350.07	2.83	-123.01
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)C([N+](=O)[O-])=N1	REAL300010845760	1	36	-2.0	-128.32	329.25	3.89	-124.43
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010845761	1	33	-2.0	-132.50	312.34	4.39	-128.11
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010845802	1	39	-2.0	-136.18	348.55	3.77	-132.41
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010845810	1	32	-2.0	-127.01	312.28	3.66	-123.35
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010845815	1	34	-2.0	-132.51	325.73	3.68	-128.83
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010845825	0	32	-2.0	-132.32	294.75	3.75	-128.57
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010845857	0	36	-2.0	-90.13	346.52	1.68	-88.45
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010845857	1	36	-2.0	-90.03	346.58	1.67	-88.36
CC1=C(Br)SC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=N1	REAL300010845862	0	30	-2.0	-122.55	311.35	1.22	-121.33
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010845870	0	31	-2.0	-116.04	310.22	3.45	-112.59
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010845879	1	30	-2.0	-123.03	312.12	1.91	-121.12
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)SC=N1	REAL300010845914	0	33	-2.0	-136.79	318.13	1.09	-135.70
CN1N=CC=C1C([N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010845944	1	30	-2.0	-114.61	300.13	2.76	-111.85
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010846004	0	31	-2.0	-124.78	300.01	3.37	-121.41
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)C(N)=NO1	REAL300010846033	1	32	-2.0	-115.92	290.51	0.35	-115.57
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010846035	0	33	-2.0	-118.59	328.82	4.21	-114.38
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010846037	1	33	-2.0	-112.53	325.10	4.09	-108.44
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)S1	REAL300010846044	1	34	-2.0	-97.43	335.74	-0.86	-98.29
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010846067	1	31	-2.0	-134.49	311.13	3.95	-130.54
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=NN1C	REAL300010846078	0	39	-2.0	-124.77	346.69	4.48	-120.29
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=C(Br)N1C	REAL300010846104	1	34	-2.0	-142.80	330.37	2.48	-140.32
CN1N=CC=C1C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010846108	0	35	-2.0	-100.49	339.46	2.33	-98.16
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)C(C(F)(F)F)=N1	REAL300010846137	1	34	-2.0	-125.16	321.62	1.85	-123.31
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010846138	1	33	-2.0	-124.41	331.55	5.29	-119.12
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=C1F	REAL300010846231	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	REAL300010846241	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	REAL300010846252	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	REAL300010846254	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	REAL300010846259	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-]	REAL300010846264	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-]	REAL300010846286	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-]	REAL300010846289	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-]	REAL300010846290	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	REAL300010846296	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-]	REAL300010846316	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	REAL300010846318	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-]	REAL300010846321	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-]	REAL300010846356	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	REAL300010846375	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	REAL300010846385	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-]	REAL300010846402	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-]	REAL300010846404	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-]	REAL300010846409	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-]	REAL300010846426	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-]	REAL300010846491	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-]	REAL300010846495	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-]	REAL300010846499	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	REAL300010846515	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	REAL300010846531	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	REAL300010846539	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	REAL300010846539	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	REAL300010846541	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	REAL300010846545	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-]	REAL300010846557	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	REAL300010846558	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	REAL300010846567	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-]	REAL300010846569	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-]	REAL300010846585	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	REAL300010846595	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-]	REAL300010846598	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-]	REAL300010846603	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	REAL300010846648	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-]	REAL300010846653	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	REAL300010846673	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-]	REAL300010846674	0	36	-2.0	-104.82	334.98	2.63	-102.19
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010848194	0	32	-2.0	-113.96	287.92	5.36	-108.60
O=C([O-])CN(CC1CC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010848242	0	39	-2.0	-104.10	332.99	5.72	-98.38
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010848291	0	34	-2.0	-105.91	310.49	6.25	-99.66
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010848297	0	32	-2.0	-110.98	314.73	6.35	-104.63
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010848377	0	32	-2.0	-113.96	287.92	5.36	-108.60
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010848426	1	37	-2.0	-99.98	344.05	3.72	-96.26
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=N[N-]1	REAL300010848426	1	37	-2.0	-99.93	344.16	3.72	-96.21
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010848486	1	40	-2.0	-97.53	367.29	3.91	-93.62
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010848553	0	36	-2.0	-104.37	329.19	6.00	-98.37
CC(C[N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010848568	1	27	-2.0	-107.73	297.72	4.44	-103.29
CC(C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010848593	1	24	-2.0	-106.31	276.46	2.70	-103.61
CC(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010848597	1	27	-2.0	-107.78	293.16	4.33	-103.45
CC(C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010848599	0	27	-2.0	-106.59	285.31	3.25	-103.34
CC(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010848601	1	27	-2.0	-106.62	286.12	3.27	-103.35
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010848650	1	31	-2.0	-116.31	289.58	2.96	-113.35
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])C(F)=C1Cl	REAL300010848660	0	34	-2.0	-119.92	330.91	2.32	-117.60
COC(=O)C1=CC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C(Br)O1	REAL300010848665	1	30	-2.0	-104.74	312.15	1.92	-102.82
CC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010848679	0	29	-2.0	-130.63	277.92	4.24	-126.39
CC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010848682	1	27	-2.0	-119.15	272.45	3.46	-115.69
CC(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010848691	0	29	-2.0	-116.18	298.74	5.26	-110.92
CC(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010848721	1	29	-2.0	-126.68	285.63	4.73	-121.95
CC(C[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010848769	1	33	-2.0	-117.16	299.38	1.53	-115.63
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010848781	1	33	-2.0	-129.61	306.94	1.03	-128.58
CC(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010848805	1	29	-2.0	-119.63	288.08	4.64	-114.99
COC(=O)C1=CC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C(F)C=C1Br	REAL300010848836	1	33	-2.0	-108.27	330.15	3.74	-104.53
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])O1	REAL300010848860	1	33	-2.0	-107.61	313.34	2.21	-105.40
CC(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010848865	1	30	-2.0	-118.63	291.27	4.66	-113.97
CC(C[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010848866	1	29	-2.0	-117.71	292.65	4.74	-112.97
CC(C[N-]S(=O)(=O)C1=C(Br)C=CS1)C(=O)[O-]	REAL300010848869	1	24	-2.0	-112.34	265.12	2.09	-110.25
CC(C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C(=O)[O-]	REAL300010848872	1	26	-2.0	-106.17	283.23	1.86	-104.31
CCN1C=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010848876	1	32	-2.0	-119.60	302.25	3.37	-116.23
CC(C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010848877	1	29	-2.0	-121.85	286.08	3.92	-117.93
CC(C[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010848880	1	29	-2.0	-119.38	292.65	4.74	-114.64
CC(CNS(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F)C(=O)[O-]	REAL300010848883	1	35	-2.0	-103.92	323.18	-0.57	-104.49
CC(C[N-]S(=O)(=O)C1=C(Cl)SC(Br)=C1)C(=O)[O-]	REAL300010848898	1	24	-2.0	-106.38	281.10	2.80	-103.58
CC(C[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010848929	0	28	-2.0	-111.68	282.11	3.20	-108.48
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010848969	0	32	-2.0	-103.83	312.41	1.96	-101.87
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010848969	1	32	-2.0	-103.78	312.47	1.95	-101.83
CC1=C(Br)SC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=N1	REAL300010848972	0	26	-2.0	-107.97	281.78	0.79	-107.18
CCCCCCN1C=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])C(=O)NC1=O	REAL300010848979	1	45	-2.0	-116.69	388.15	3.25	-113.44
CC(C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010848980	0	27	-2.0	-102.05	280.86	3.02	-99.03
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(OC)=C1	REAL300010848985	1	45	-2.0	-95.69	387.50	1.20	-94.49
CCS(=O)(=O)[N-]C1=CC(OC)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010848987	0	42	-2.0	-104.18	374.88	0.04	-104.14
CC(C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010848993	1	26	-2.0	-111.19	270.91	1.94	-109.25
CC(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010848998	1	27	-2.0	-106.16	286.39	4.04	-102.12
CC(C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010848999	1	26	-2.0	-103.17	277.37	1.69	-101.48
CC(C)C(C[N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010851004	0	29	-2.0	-114.75	294.71	2.13	-112.62
CC1=CC=C([O-])C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010851016	1	37	-2.0	-111.58	312.89	3.33	-108.25
CC(C)C(CNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010851017	0	38	-2.0	-102.84	340.86	4.04	-98.80
CC([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851039	1	40	-2.0	-102.55	345.84	5.85	-96.70
CC([N-]S(=O)(=O)C1=C(F)C=CC=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851042	0	40	-2.0	-114.33	332.40	6.65	-107.68
CC([N-]S(=O)(=O)C1=CC(F)=CC=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851064	1	40	-2.0	-104.97	339.65	5.79	-99.18
CC([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851066	1	37	-2.0	-97.68	349.30	5.79	-91.89
CC([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851078	1	40	-2.0	-97.53	345.95	5.85	-91.68
CC([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851089	0	40	-2.0	-104.94	338.80	6.72	-98.22
CC([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851108	1	40	-2.0	-113.48	345.23	5.24	-108.24
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851135	1	44	-2.0	-108.73	361.45	6.84	-101.89
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)O1	REAL300010851161	1	43	-2.0	-101.54	367.33	4.44	-97.10
CC([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851164	0	42	-2.0	-115.44	350.17	7.29	-108.15
CC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851195	1	42	-2.0	-110.87	357.55	7.82	-103.05
CC([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851235	1	46	-2.0	-114.85	370.76	5.38	-109.47
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851249	1	46	-2.0	-117.59	380.66	4.22	-113.37
CC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851276	1	42	-2.0	-108.41	358.16	8.36	-100.05
CC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851317	1	43	-2.0	-109.50	357.53	6.07	-103.43
COC(=O)C1=COC(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300010851331	1	43	-2.0	-109.46	363.74	5.11	-104.35
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)O1	REAL300010851365	1	46	-2.0	-101.85	389.20	5.37	-96.48
CC([N-]S(=O)(=O)C1=C(Br)C=CS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851372	1	37	-2.0	-103.65	336.20	5.95	-97.70
CCN1C=C(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C([N+](=O)[O-])=N1	REAL300010851380	1	45	-2.0	-113.39	374.20	7.22	-106.17
CC([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851381	1	42	-2.0	-114.78	354.75	7.68	-107.10
CC([N-]S(=O)(=O)C1=CC=CC(F)=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851399	1	40	-2.0	-109.48	339.75	5.76	-103.72
CC([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851416	0	41	-2.0	-103.79	353.18	7.05	-96.74
CC([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851429	1	41	-2.0	-114.10	337.88	6.99	-107.11
CC([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851480	1	39	-2.0	-101.56	346.72	5.11	-96.45
CC([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851481	1	39	-2.0	-97.77	349.34	5.56	-92.21
COC(=O)C1=C(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)SC=N1	REAL300010851514	0	42	-2.0	-106.36	367.94	3.41	-102.95
CC([N-]S(=O)(=O)C1=CC=C(Br)O1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851523	1	37	-2.0	-101.23	332.17	4.38	-96.85
CC([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851532	1	40	-2.0	-109.92	343.82	6.46	-103.46
CC([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851583	1	40	-2.0	-99.76	359.76	6.68	-93.08
CC([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851596	0	40	-2.0	-102.44	349.02	6.04	-96.40
CC1=C(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(N)=NO1	REAL300010851621	1	41	-2.0	-100.60	331.95	3.74	-96.86
CC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851623	1	40	-2.0	-99.31	353.89	7.76	-91.55
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)S1	REAL300010851628	1	43	-2.0	-97.40	369.53	1.83	-95.57
CC([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851648	0	40	-2.0	-108.36	346.13	7.25	-101.11
CC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851653	1	40	-2.0	-105.15	349.97	6.25	-98.90
CC([N-]S(=O)(=O)C1=CC=C(C#N)O1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851672	1	38	-2.0	-99.45	331.88	4.19	-95.26
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851682	0	44	-2.0	-98.86	362.32	5.06	-93.80
CC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851708	1	43	-2.0	-108.76	362.53	5.22	-103.54
CC([N-]S(=O)(=O)C1=C(F)C=CS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851709	1	37	-2.0	-106.22	322.17	5.43	-100.79
CC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851722	1	43	-2.0	-107.55	359.98	6.82	-100.73
CC([N-]S(=O)(=O)C1=CNN=C1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851725	1	37	-2.0	-102.42	326.00	2.47	-99.95
CC([N-]S(=O)(=O)C1=C(Cl)C=CS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851727	1	37	-2.0	-104.42	331.87	5.84	-98.58
CC([N-]S(=O)(=O)C1=NC=CC=C1Br)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851777	1	39	-2.0	-109.62	339.06	4.57	-105.05
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)O1	REAL300010851790	1	46	-2.0	-102.46	385.20	5.04	-97.42
COC(=O)C1=C(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)OC=C1	REAL300010851800	0	43	-2.0	-110.70	359.92	5.09	-105.61
CC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851802	0	42	-2.0	-117.11	354.86	4.66	-112.45
CC(NS(=O)(=O)C1=NC=C[N-]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851805	0	37	-2.0	-105.67	303.70	1.13	-104.54
CC1=NSC(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300010851808	1	39	-2.0	-99.99	336.29	3.95	-96.04
CC([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851810	1	40	-2.0	-103.69	341.94	3.14	-100.55
CC([N-]S(=O)(=O)C1=C(Br)NC=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851829	1	37	-2.0	-110.39	327.14	3.66	-106.73
CC([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851831	1	39	-2.0	-98.88	349.94	4.78	-94.10
CC([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851832	1	39	-2.0	-105.16	341.24	4.98	-100.18
CC([N-]S(=O)(=O)C1=CC=C(F)N=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851833	1	39	-2.0	-104.30	330.78	4.49	-99.81
CC([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851851	1	43	-2.0	-103.43	358.13	5.03	-98.40
CC(NS(=O)(=O)C1=CC(F)=CC=C1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851861	0	41	-2.0	-100.19	329.59	4.14	-96.05
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851863	1	43	-2.0	-117.36	358.80	3.29	-114.07
CC([N-]S(=O)(=O)C1=CC=NS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851877	1	36	-2.0	-101.18	310.62	4.08	-97.10
CC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851897	0	48	-2.0	-107.40	373.96	5.34	-102.06
CC([N-]S(=O)(=O)C1=C(Br)C=CO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851905	0	37	-2.0	-103.22	328.45	4.39	-98.83
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851915	1	44	-2.0	-110.75	360.24	7.05	-103.70
CC1=CSC(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300010851923	1	39	-2.0	-106.17	332.17	3.96	-102.21
CC([N-]S(=O)(=O)C1=NN=NN1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851927	1	38	-2.0	-97.93	317.14	1.71	-96.22
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851942	0	43	-2.0	-109.92	357.31	5.89	-104.03
CC([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851944	1	43	-2.0	-115.62	353.21	5.58	-110.04
CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851947	0	41	-2.0	-93.48	361.86	5.05	-88.43
CC([N-]S(=O)(=O)C1=CC=C(Br)O1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010851978	1	37	-2.0	-101.23	332.17	4.38	-96.85
CC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852005	1	40	-2.0	-100.00	351.81	4.86	-95.14
CC(NS(=O)(=O)C1=CC(F)=CC=C1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852027	0	41	-2.0	-100.19	329.59	4.14	-96.05
CC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852032	1	42	-2.0	-103.88	364.10	5.57	-98.31
CC([N-]S(=O)(=O)C1=CC=C(Cl)O1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852033	1	37	-2.0	-100.96	327.54	4.27	-96.69
CC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852035	1	42	-2.0	-103.88	364.10	5.57	-98.31
CC([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852038	1	40	-2.0	-101.85	355.30	6.28	-95.57
CC1=NC(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C(C2=CC=CC=C2)O1	REAL300010852050	1	49	-2.0	-119.72	394.70	5.17	-114.55
CCN1N=CC(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300010852064	1	42	-2.0	-108.32	344.57	3.24	-105.08
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300010852074	1	46	-2.0	-101.12	376.71	3.57	-97.55
CCOC(=O)C1=CC(S(=O)(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N[N-]1	REAL300010852074	1	46	-2.0	-101.04	376.81	3.56	-97.48
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300010852076	0	43	-2.0	-98.36	382.31	4.95	-93.41
COC1=CC(F)=C(S(=O)(=O)[N-]C(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(F)=C1	REAL300010852079	1	44	-2.0	-111.19	361.86	5.94	-105.25
CC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852083	1	37	-2.0	-94.92	352.83	5.77	-89.15
CC([N-]S(=O)(=O)C1=C(C#N)C=CO1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852089	1	38	-2.0	-104.34	330.63	4.10	-100.24
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852090	1	43	-2.0	-117.36	358.80	3.29	-114.07
CC([N-]S(=O)(=O)C1=NC=C(Br)C=N1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852115	0	38	-2.0	-108.68	335.22	4.19	-104.49
CC([N-]S(=O)(=O)C1=NNN=C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852118	1	36	-2.0	-98.18	303.62	0.59	-97.59
CC([N-]S(=O)(=O)C1=NC=CC=C1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852119	1	39	-2.0	-110.31	335.47	4.42	-105.89
CC([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852153	1	42	-2.0	-110.58	350.77	5.24	-105.34
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852170	1	46	-2.0	-120.62	371.78	7.67	-112.95
CC([N-]S(=O)(=O)C1=C(Br)C=NS1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	REAL300010852175	0	36	-2.0	-96.83	335.20	3.94	-92.89
CC1=CC=C([O-])C(S(=O)(=O)NC(C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C1	REAL300010852197	1	44	-2.0	-98.35	353.81	4.80	-93.55
CC(C[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010852218	1	37	-2.0	-120.78	339.84	6.08	-114.70
CC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010852221	0	37	-2.0	-139.92	333.97	6.13	-133.79
CC(C[N-]S(=O)(=O)C1=CC(F)=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010852238	1	37	-2.0	-130.07	337.35	5.97	-124.10
CC(C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010852240	1	34	-2.0	-119.47	344.61	6.05	-113.42
CC(C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010852251	1	37	-2.0	-120.47	343.63	6.02	-114.45
CC(C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010852260	0	37	-2.0	-128.23	340.36	6.19	-122.04
CN1C=NC(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1Cl	REAL300010852277	1	37	-2.0	-139.61	343.94	5.35	-134.26
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010852299	1	41	-2.0	-134.42	363.09	6.32	-128.10
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300010852318	1	40	-2.0	-120.56	361.32	4.68	-115.88
CC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300010852321	0	39	-2.0	-144.47	351.43	7.58	-136.89
CC(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300010852348	1	39	-2.0	-139.26	359.14	8.08	-131.18
CN1C=C(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(=O)N(C)C1=O	REAL300010852381	1	43	-2.0	-139.42	372.02	4.86	-134.56
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010852393	1	43	-2.0	-146.28	379.58	4.35	-141.93
CC(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300010852415	1	39	-2.0	-131.24	357.04	8.02	-123.22
CC(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300010852454	1	40	-2.0	-133.44	355.21	6.24	-127.20
COC(=O)C1=COC(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010852467	1	40	-2.0	-129.53	365.33	4.58	-124.95
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300010852501	1	43	-2.0	-120.81	383.18	5.61	-115.20
CCN1C=C(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)C([N+](=O)[O-])=N1	REAL300010852512	1	42	-2.0	-132.67	375.77	6.73	-125.94
CC(C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300010852513	1	39	-2.0	-135.52	357.52	7.21	-128.31
CC(C[N-]S(=O)(=O)C1=CC=CC(F)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010852530	1	37	-2.0	-132.05	337.24	5.96	-126.09
CC(C[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010852544	0	38	-2.0	-123.38	350.19	6.65	-116.73
CC(C[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300010852557	1	38	-2.0	-132.89	336.73	6.62	-126.27
CC(C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300010852604	1	36	-2.0	-125.81	344.41	5.28	-120.53
CC(C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300010852605	1	36	-2.0	-116.35	347.21	5.08	-111.27
COC(=O)C1=C(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)SC=N1	REAL300010852638	0	39	-2.0	-132.68	362.48	4.24	-128.44
CC(C[N-]S(=O)(=O)C1=CC=C(Br)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300010852647	1	34	-2.0	-120.85	326.15	4.62	-116.23
CC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300010852656	1	37	-2.0	-134.78	337.82	6.70	-128.08
CC(C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010852714	0	37	-2.0	-123.79	343.71	6.35	-117.44
CC1=C(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(N)=NO1	REAL300010852738	1	38	-2.0	-119.74	331.88	3.24	-116.50
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300010852744	1	40	-2.0	-98.15	367.33	2.56	-95.59
CC(C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010852765	0	37	-2.0	-126.67	344.14	6.74	-119.93
CC(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010852770	1	37	-2.0	-130.16	347.67	6.42	-123.74
CC(C[N-]S(=O)(=O)C1=CC=C(C#N)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300010852787	1	35	-2.0	-116.45	325.71	4.41	-112.04
CN1C=C(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)=N1	REAL300010852821	1	40	-2.0	-127.46	363.95	4.70	-122.76
CC(C[N-]S(=O)(=O)C1=C(F)C=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300010852822	1	34	-2.0	-129.82	323.72	4.91	-124.91
CC(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300010852832	1	40	-2.0	-124.90	357.95	6.36	-118.54
CC(C[N-]S(=O)(=O)C1=C(Cl)C=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300010852837	1	34	-2.0	-127.59	333.42	5.31	-122.28
CC(C[N-]S(=O)(=O)C1=NC=CC=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300010852881	1	36	-2.0	-134.08	334.29	4.68	-129.40
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300010852893	1	43	-2.0	-121.80	379.21	5.25	-116.55
COC(=O)C1=C(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)OC=C1	REAL300010852901	0	40	-2.0	-136.58	355.16	5.27	-131.31
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300010852904	0	39	-2.0	-142.40	348.88	4.88	-137.52
CC(CNS(=O)(=O)C1=NC=C[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300010852907	0	34	-2.0	-103.19	303.74	2.27	-100.92
CC1=NSC(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010852909	1	36	-2.0	-121.40	333.94	4.13	-117.27
CC(C[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300010852911	1	37	-2.0	-121.51	337.45	3.41	-118.10
CC(C[N-]S(=O)(=O)C1=C(Br)NC=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300010852926	1	34	-2.0	-135.39	325.90	3.78	-131.61
CC(C[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300010852928	1	36	-2.0	-118.95	346.81	5.10	-113.85
CC(C[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010852929	1	36	-2.0	-123.59	342.82	4.44	-119.15
CC(C[N-]S(=O)(=O)C1=CC=C(F)N=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010852930	1	36	-2.0	-122.35	332.36	3.95	-118.40
CC(C[N-]S(=O)(=O)N=S(C)(C)=O)(C(=O)[O-])C1=CC=CC=C1	REAL300010852932	1	37	-2.0	-152.44	327.99	1.88	-150.56
CC(C[N-]S(=O)(=O)N=S1(=O)CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010852933	0	41	-2.0	-162.84	356.62	3.13	-159.71
CCS(=O)(CC)=NS(=O)(=O)[N-]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010852938	0	43	-2.0	-154.65	367.04	3.54	-151.11
CN1N=CC(S(=O)(=O)[N-]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1C(F)(F)F	REAL300010852946	1	40	-2.0	-124.04	358.60	4.48	-119.56
CC(CNS(=O)(=O)C1=CC(F)=CC=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300010852954	0	38	-2.0	-106.67	329.97	4.87	-101.80
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010852956	1	40	-2.0	-144.49	354.09	3.47	-141.02
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010852959	0	46	-2.0	-161.97	388.99	3.88	-158.09
CC(C[N-]S(=O)(=O)C1=CC=NS1)(C(=O)[O-])C1=CC=CC=C1	REAL300010852969	1	33	-2.0	-120.63	312.18	3.54	-117.09
CC(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010852989	0	45	-2.0	-99.42	371.58	5.91	-93.51
CC(C[N-]S(=O)(=O)C1=C(Br)C=CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300010852996	0	34	-2.0	-125.62	323.54	4.57	-121.05
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010854044	0	35	-2.0	-107.58	312.23	4.97	-102.61
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010854267	0	32	-2.0	-108.80	279.89	4.01	-104.79
O=C([O-])CN(C1CCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010854315	0	39	-2.0	-101.08	320.64	5.09	-95.99
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010854364	0	34	-2.0	-101.45	301.73	5.78	-95.67
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010854370	0	32	-2.0	-96.32	302.92	4.78	-91.54
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010854450	0	32	-2.0	-108.80	279.89	4.01	-104.79
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010854499	1	37	-2.0	-100.01	329.86	2.98	-97.03
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=N[N-]1	REAL300010854499	1	37	-2.0	-100.11	329.97	2.97	-97.14
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)S1	REAL300010854559	1	40	-2.0	-96.76	342.17	2.94	-93.82
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010854626	0	36	-2.0	-117.50	319.73	5.25	-112.25
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCC1	REAL300010857007	1	31	-2.0	-118.75	295.56	3.20	-115.55
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)CCC1	REAL300010857023	1	36	-2.0	-125.88	333.99	5.65	-120.23
O=C([O-])CC1([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)CCC1	REAL300010857027	1	37	-2.0	-120.86	347.69	5.38	-115.48
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CCC1	REAL300010857032	0	31	-2.0	-123.65	301.26	5.02	-118.63
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCC1	REAL300010857033	1	33	-2.0	-119.99	312.16	3.41	-116.58
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1	REAL300010857037	1	35	-2.0	-129.33	323.31	5.10	-124.23
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCC1	REAL300010857040	1	31	-2.0	-120.22	298.69	4.74	-115.48
CC1=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C(C2=CC=CC=C2)O1	REAL300010857052	1	40	-2.0	-136.87	345.01	3.41	-133.46
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300010857071	1	37	-2.0	-113.01	323.79	1.61	-111.40
CCOC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=N[N-]1	REAL300010857071	1	37	-2.0	-112.86	323.86	1.60	-111.26
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)=C1	REAL300010857073	0	34	-2.0	-112.81	326.02	3.35	-109.46
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1	REAL300010857074	1	35	-2.0	-126.92	325.36	5.20	-121.72
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCC1	REAL300010857080	1	28	-2.0	-110.64	296.24	4.22	-106.42
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300010857112	1	40	-2.0	-106.76	343.32	1.58	-105.18
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1	REAL300010857135	1	37	-2.0	-116.36	339.58	5.97	-110.39
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1	REAL300010857137	1	37	-2.0	-139.83	324.57	5.63	-134.20
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)C=NS2)CCC1	REAL300010857139	0	27	-2.0	-111.61	278.60	2.41	-109.20
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010857167	1	31	-2.0	-138.00	287.41	3.26	-134.74
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010857220	1	31	-2.0	-128.27	299.99	3.09	-125.18
CN1C=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=C1Cl	REAL300010857237	1	31	-2.0	-135.63	300.47	2.55	-133.08
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=NN1C	REAL300010857273	1	35	-2.0	-129.30	316.59	3.25	-126.05
COC(=O)C1=C(F)C=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=C1F	REAL300010857295	1	37	-2.0	-125.22	350.76	3.76	-121.46
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)O1	REAL300010857309	1	34	-2.0	-125.50	328.21	1.90	-123.60
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010857312	0	33	-2.0	-145.70	308.96	4.68	-141.02
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010857319	1	33	-2.0	-129.95	318.26	5.07	-124.88
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010857351	0	33	-2.0	-139.86	313.05	5.16	-134.70
CN1N=CC=C1C([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010857400	1	37	-2.0	-135.29	329.56	1.85	-133.44
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=NN1C	REAL300010857416	1	37	-2.0	-142.15	331.80	1.33	-140.82
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010857443	1	33	-2.0	-136.46	323.91	5.18	-131.28
COC(=O)C1=COC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=C1	REAL300010857497	1	34	-2.0	-126.52	324.38	1.61	-124.91
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)O1	REAL300010857532	1	37	-2.0	-125.84	350.07	2.83	-123.01
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)C([N+](=O)[O-])=N1	REAL300010857549	1	36	-2.0	-128.32	329.25	3.89	-124.43
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010857550	1	33	-2.0	-132.50	312.34	4.39	-128.11
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300010857591	1	39	-2.0	-136.18	348.55	3.77	-132.41
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C(=O)[O-]	REAL300010857599	1	32	-2.0	-127.01	312.28	3.66	-123.35
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010857604	1	34	-2.0	-132.51	325.73	3.68	-128.83
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010857614	0	32	-2.0	-132.32	294.75	3.75	-128.57
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010857646	0	36	-2.0	-90.13	346.52	1.68	-88.45
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010857646	1	36	-2.0	-90.03	346.58	1.67	-88.36
CC1=C(Br)SC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=N1	REAL300010857651	0	30	-2.0	-122.55	311.35	1.22	-121.33
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010857659	0	31	-2.0	-116.04	310.22	3.45	-112.59
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010857668	1	30	-2.0	-123.03	312.12	1.91	-121.12
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)SC=N1	REAL300010857703	0	33	-2.0	-136.79	318.13	1.09	-135.70
CN1N=CC=C1C([N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010857733	1	30	-2.0	-114.61	300.13	2.76	-111.85
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010857793	0	31	-2.0	-124.78	300.01	3.37	-121.41
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)C(N)=NO1	REAL300010857822	1	32	-2.0	-115.92	290.51	0.35	-115.57
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010857824	0	33	-2.0	-118.59	328.82	4.21	-114.38
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010857826	1	33	-2.0	-112.53	325.10	4.09	-108.44
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=NN2C)S1	REAL300010857833	1	34	-2.0	-97.43	335.74	-0.86	-98.29
CN1N=CC=C1C([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010857856	1	31	-2.0	-134.49	311.13	3.95	-130.54
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=NN1C	REAL300010857867	0	39	-2.0	-124.77	346.69	4.48	-120.29
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)=C(Br)N1C	REAL300010857893	1	34	-2.0	-142.80	330.37	2.48	-140.32
CN1N=CC=C1C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010857897	0	35	-2.0	-100.49	339.46	2.33	-98.16
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=NN2C)C(C(F)(F)F)=N1	REAL300010857926	1	34	-2.0	-125.16	321.62	1.85	-123.31
CN1N=CC=C1C([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010857927	1	33	-2.0	-124.41	331.55	5.29	-119.12
CC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010859018	1	29	-2.0	-117.55	294.92	4.46	-113.09
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010859019	1	27	-2.0	-121.26	278.76	4.68	-116.58
CC[C@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010859025	1	30	-2.0	-105.76	297.98	-0.56	-106.32
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010859039	0	27	-2.0	-131.94	276.22	3.60	-128.34
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@@H](CC)C(=O)[O-])=C(F)C=C1Cl	REAL300010859047	1	36	-2.0	-125.74	343.40	5.39	-120.35
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010859056	1	33	-2.0	-131.53	324.22	5.95	-125.58
CC[C@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010859066	1	30	-2.0	-142.66	289.35	2.82	-139.84
CC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010859068	0	31	-2.0	-109.16	288.32	3.38	-105.78
CC[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010859070	1	28	-2.0	-120.27	292.78	4.36	-115.91
CC[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010859097	1	30	-2.0	-128.04	284.46	2.15	-125.89
CC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010859098	1	29	-2.0	-123.73	287.94	5.55	-118.18
CC[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010859108	1	30	-2.0	-128.81	284.97	3.81	-125.00
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010859109	1	30	-2.0	-135.33	300.05	5.41	-129.92
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C(F)=C1	REAL300010859110	1	41	-2.0	-105.40	362.49	1.21	-104.19
CC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010859145	1	33	-2.0	-134.00	321.96	4.58	-129.42
CC[C@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010859158	1	31	-2.0	-119.78	309.84	0.23	-119.55
CC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010859164	1	27	-2.0	-111.85	301.94	4.45	-107.40
CC[C@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010859177	1	33	-2.0	-134.70	313.55	4.08	-130.62
CC[C@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010859185	1	33	-2.0	-126.94	306.23	2.73	-124.21
CC[C@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010859208	1	27	-2.0	-125.64	263.73	0.80	-124.84
CC[C@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010859225	1	24	-2.0	-134.31	253.15	0.75	-133.56
CC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010859227	1	26	-2.0	-116.33	278.76	1.95	-114.38
CC[C@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010859239	0	30	-2.0	-128.79	304.90	3.72	-125.07
CC[C@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010859240	1	30	-2.0	-122.21	278.88	1.95	-120.26
CC[C@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010859267	1	31	-2.0	-138.08	302.81	2.98	-135.10
CC[C@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010859288	0	24	-2.0	-123.22	255.31	1.42	-121.80
CC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010859297	1	31	-2.0	-134.73	285.17	3.79	-130.94
CC[C@H](NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010859313	1	43	-2.0	-87.43	397.68	2.45	-84.98
CC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010859315	0	30	-2.0	-116.85	312.37	2.12	-114.73
CC[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010859319	0	30	-2.0	-99.59	277.68	3.28	-96.31
CC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010859322	1	30	-2.0	-141.53	278.18	2.55	-138.98
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010859323	0	28	-2.0	-106.78	282.00	3.43	-103.35
CC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010859343	1	24	-2.0	-124.49	251.21	2.14	-122.35
CC[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010859364	1	27	-2.0	-119.06	277.36	1.97	-117.09
CC[C@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010859378	1	30	-2.0	-130.76	308.62	4.93	-125.83
CC[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010859382	1	32	-2.0	-130.48	311.53	4.83	-125.65
CC[C@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010859383	1	33	-2.0	-131.44	325.63	4.58	-126.86
CC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010859387	0	27	-2.0	-131.17	278.55	4.23	-126.94
CC[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010859388	1	29	-2.0	-125.17	289.77	2.62	-122.55
CC[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010859391	1	29	-2.0	-125.17	289.77	2.62	-122.55
CC[C@H]([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010859394	1	31	-2.0	-139.33	305.71	3.76	-135.57
CC[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010859397	1	27	-2.0	-126.86	276.27	3.96	-122.90
CC[C@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010859404	1	36	-2.0	-146.82	324.80	2.31	-144.51
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=C1	REAL300010859415	1	33	-2.0	-109.61	310.72	0.67	-108.94
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=N[N-]1	REAL300010859415	1	33	-2.0	-109.59	310.81	0.68	-108.91
CC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010859417	0	30	-2.0	-116.27	308.30	2.02	-114.25
CC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010859419	1	31	-2.0	-128.07	304.24	4.01	-124.06
CC[C@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010859421	1	31	-2.0	-129.43	291.61	2.33	-127.10
CC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010859425	1	24	-2.0	-118.79	273.84	3.45	-115.34
CC[C@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010859430	1	24	-2.0	-121.23	272.06	2.79	-118.44
CC[C@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010859453	0	25	-2.0	-124.17	266.51	0.57	-123.60
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])S1	REAL300010859459	1	36	-2.0	-107.77	333.97	1.02	-106.75
CC[C@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010859463	0	26	-2.0	-136.10	269.64	2.21	-133.89
CC[C@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010859481	1	29	-2.0	-134.17	279.00	2.04	-132.13
CC[C@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010859485	0	26	-2.0	-128.47	276.82	2.75	-125.72
CC[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010859498	1	33	-2.0	-124.91	319.88	4.88	-120.03
CC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010859500	1	33	-2.0	-152.51	304.85	4.74	-147.77
CC[C@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010859505	0	23	-2.0	-118.95	252.68	1.78	-117.17
CC[C@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010859509	0	32	-2.0	-111.95	303.61	3.08	-108.87
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C1	REAL300010859533	1	31	-2.0	-101.68	290.56	4.07	-97.61
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C1	REAL300010859538	0	31	-2.0	-113.31	281.43	4.10	-109.21
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C1	REAL300010859561	1	31	-2.0	-106.17	284.40	4.01	-102.16
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C1	REAL300010859563	1	28	-2.0	-101.04	294.09	4.04	-97.00
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300010859569	1	31	-2.0	-102.12	311.69	5.70	-96.42
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300010859574	0	31	-2.0	-101.74	303.89	4.61	-97.13
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300010859576	1	31	-2.0	-101.43	303.89	4.61	-96.82
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300010859577	1	31	-2.0	-100.71	289.59	4.06	-96.65
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300010859590	0	31	-2.0	-106.61	286.26	4.22	-102.39
CN1C=NC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300010859605	1	31	-2.0	-112.72	290.39	3.36	-109.36
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010859642	1	35	-2.0	-108.10	310.11	4.33	-103.77
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)C(F)=C1Cl	REAL300010859661	0	38	-2.0	-111.33	352.39	3.63	-107.70
COC(=O)C1=CC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C(Br)O1	REAL300010859666	1	34	-2.0	-97.72	331.34	3.28	-94.44
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)O1	REAL300010859680	1	34	-2.0	-100.74	311.56	2.67	-98.07
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300010859683	0	33	-2.0	-119.72	300.29	5.55	-114.17
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300010859686	1	31	-2.0	-112.29	290.96	4.82	-107.47
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010859695	0	33	-2.0	-108.01	322.12	6.62	-101.39
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300010859724	1	33	-2.0	-115.95	308.03	6.06	-109.89
CN1C=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)C(=O)N(C)C1=O	REAL300010859773	1	37	-2.0	-110.90	320.01	2.76	-108.14
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010859787	1	37	-2.0	-122.51	324.20	2.42	-120.09
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C1	REAL300010859815	1	33	-2.0	-110.17	310.32	6.03	-104.14
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300010859848	1	34	-2.0	-109.10	301.76	4.26	-104.84
COC(=O)C1=COC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010859860	1	34	-2.0	-105.60	311.88	2.62	-102.98
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)O1	REAL300010859894	1	37	-2.0	-100.44	334.32	3.52	-96.92
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300010859901	1	34	-2.0	-111.04	309.83	6.02	-105.02
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300010859902	1	33	-2.0	-109.68	313.77	6.11	-103.57
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300010859905	1	28	-2.0	-103.37	284.32	3.47	-99.90
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300010859911	1	30	-2.0	-98.51	301.61	3.19	-95.32
CCN1C=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300010859915	1	36	-2.0	-110.85	322.25	4.78	-106.07
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300010859916	1	33	-2.0	-113.94	305.91	5.28	-108.66
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300010859919	1	33	-2.0	-110.00	314.88	6.13	-103.87
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010859922	1	39	-2.0	-98.55	355.12	0.93	-97.62
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300010859940	1	28	-2.0	-101.13	298.72	4.14	-96.99
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C1	REAL300010859942	1	31	-2.0	-109.09	284.30	4.01	-105.08
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010859970	0	32	-2.0	-105.83	300.61	4.57	-101.26
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C1	REAL300010859985	1	32	-2.0	-113.73	288.94	4.50	-109.23
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300010861377	0	42	-2.0	-93.41	371.54	5.51	-87.90
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300010861377	1	42	-2.0	-93.38	371.60	5.50	-87.88
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300010861562	1	40	-2.0	-98.69	355.56	2.79	-95.90
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010861622	0	41	-2.0	-91.90	353.16	6.06	-85.84
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010861829	0	38	-2.0	-93.22	320.85	5.13	-88.09
O=C([O-])CCC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010861869	0	45	-2.0	-114.20	356.54	5.99	-108.21
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CC1	REAL300010861916	0	40	-2.0	-101.13	343.10	6.87	-94.26
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010861921	0	38	-2.0	-88.74	348.73	6.09	-82.65
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010862003	0	38	-2.0	-93.22	320.85	5.13	-88.09
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)=C1	REAL300010862052	1	43	-2.0	-97.61	370.72	4.08	-93.53
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)=N[N-]1	REAL300010862052	1	43	-2.0	-97.61	370.82	4.08	-93.53
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)S1	REAL300010862108	1	46	-2.0	-99.01	391.55	4.11	-94.90
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)=C1	REAL300010862186	1	41	-2.0	-99.51	335.86	5.72	-93.79
O=C([O-])CCC1CCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010862187	0	42	-2.0	-94.94	361.85	6.38	-88.56
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300010862688	0	38	-2.0	-92.20	347.93	2.21	-89.99
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300010862688	1	38	-2.0	-92.14	347.99	2.21	-89.93
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300010862873	1	36	-2.0	-91.60	332.77	-0.56	-92.16
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C2	REAL300010862933	0	37	-2.0	-91.45	332.65	2.72	-88.73
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)C1=CC(F)=CC=C1[O-])C2	REAL300010863140	0	34	-2.0	-96.29	297.79	1.79	-94.50
O=C([O-])C1CCN(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1	REAL300010863180	0	41	-2.0	-107.94	333.93	2.80	-105.14
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300010863227	0	36	-2.0	-99.44	321.82	3.68	-95.76
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300010863232	0	34	-2.0	-103.72	323.59	2.72	-101.00
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)C1=CC(F)=CC=C1[O-])C2	REAL300010863314	0	34	-2.0	-96.29	297.79	1.79	-94.50
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300010863363	1	39	-2.0	-91.96	345.70	0.91	-91.05
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=N[N-]1	REAL300010863363	1	39	-2.0	-91.98	345.95	0.89	-91.09
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)S1	REAL300010863419	1	42	-2.0	-103.22	367.84	0.81	-102.41
CC1=CC=C([O-])C(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)=C1	REAL300010863497	1	37	-2.0	-99.84	315.33	2.38	-97.46
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C2	REAL300010863498	0	38	-2.0	-102.31	338.09	3.09	-99.22
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C1=CC=CC=C1	REAL300010863577	1	31	-2.0	-139.51	301.77	5.91	-133.60
CN1C=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=C1Cl	REAL300010863594	1	31	-2.0	-145.11	310.33	4.50	-140.61
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC=C1	REAL300010863630	1	35	-2.0	-143.52	324.53	5.86	-137.66
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)O1	REAL300010863665	1	34	-2.0	-130.51	324.48	4.45	-126.06
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300010863668	0	33	-2.0	-158.34	312.86	7.29	-151.05
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300010863706	1	33	-2.0	-148.54	318.62	7.82	-140.72
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)C(=O)N(C)C1=O	REAL300010863754	1	37	-2.0	-144.65	331.52	4.48	-140.17
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC=C1	REAL300010863770	1	37	-2.0	-154.76	337.77	3.98	-150.78
O=C([O-])C([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300010863798	1	33	-2.0	-146.38	322.15	7.67	-138.71
COC(=O)C1=COC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010863850	1	34	-2.0	-136.60	324.81	4.40	-132.20
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)O1	REAL300010863885	1	37	-2.0	-129.33	353.23	4.71	-124.62
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)C([N+](=O)[O-])=N1	REAL300010863902	1	36	-2.0	-140.37	335.26	6.53	-133.84
O=C([O-])C([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300010863903	1	33	-2.0	-144.91	318.36	7.05	-137.86
O=C([O-])C([N-]S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1=CC=CC=C1	REAL300010863944	1	39	-2.0	-147.14	347.94	6.39	-140.75
N#CC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300010863953	0	32	-2.0	-138.12	316.15	6.25	-131.87
O=C([O-])C([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300010863968	0	32	-2.0	-146.11	302.67	6.33	-139.78
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300010864000	0	36	-2.0	-108.60	350.52	4.34	-104.26
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300010864000	1	36	-2.0	-108.61	350.57	4.33	-104.28
CC1=C(Br)SC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300010864005	0	30	-2.0	-132.57	313.27	3.87	-128.70
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C1=CC=CC=C1	REAL300010864013	0	31	-2.0	-126.81	314.09	6.05	-120.76
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C1=CC=CC=C1	REAL300010864023	1	30	-2.0	-134.46	305.85	4.99	-129.47
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)SC=N1	REAL300010864059	0	33	-2.0	-143.47	325.13	3.38	-140.09
O=C([O-])C([N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C1=CC=CC=C1	REAL300010864089	1	30	-2.0	-131.24	308.03	5.35	-125.89
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C1=CC=CC=C1	REAL300010864149	0	31	-2.0	-138.48	307.95	5.97	-132.51
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)C(N)=NO1	REAL300010864179	1	32	-2.0	-126.99	293.30	2.96	-124.03
O=C([O-])C([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C1=CC=CC=C1	REAL300010864181	1	33	-2.0	-129.29	334.82	6.88	-122.41
O=C([O-])C([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C1=CC=CC=C1	REAL300010864183	1	33	-2.0	-125.22	333.04	6.69	-118.53
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300010864190	1	34	-2.0	-102.78	334.09	1.57	-101.21
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C1=CC=CC=C1	REAL300010864214	1	31	-2.0	-139.59	309.20	6.41	-133.18
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC=C1	REAL300010864224	0	39	-2.0	-139.05	354.55	6.87	-132.18
N#CC1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)O1	REAL300010864242	1	29	-2.0	-131.45	290.77	4.14	-127.31
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=C(Br)N1C	REAL300010864249	1	34	-2.0	-147.75	328.31	5.04	-142.71
O=C([O-])C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C1=CC=CC=C1	REAL300010864253	0	35	-2.0	-113.72	337.68	4.85	-108.87
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)=N1	REAL300010864284	1	34	-2.0	-136.17	326.87	4.50	-131.67
O=C([O-])C([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300010864285	1	33	-2.0	-132.56	326.03	7.80	-124.76
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=C1F	REAL300010864382	1	37	-2.0	-140.89	351.70	6.31	-134.58
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)O1	REAL300010864392	1	37	-2.0	-131.77	342.38	5.03	-126.74
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)OC=C1	REAL300010864404	0	34	-2.0	-152.71	323.11	4.56	-148.15
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300010864406	0	33	-2.0	-158.21	315.20	4.51	-153.70
CC1=NSC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010864411	1	30	-2.0	-130.09	293.43	3.96	-126.13
O=C([O-])C([N-]S(=O)(=O)N=S1(=O)CCCC1)C1=CC=CC=C1	REAL300010864442	1	35	-2.0	-174.28	316.12	2.79	-171.49
CCS(=O)(CC)=NS(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC=C1	REAL300010864447	1	37	-2.0	-172.83	329.34	3.12	-169.71
CN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=C1C(F)(F)F	REAL300010864457	1	34	-2.0	-134.05	321.21	4.25	-129.80
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C1=CC=CC=C1	REAL300010864467	0	32	-2.0	-115.12	305.03	3.91	-111.21
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC=C1	REAL300010864469	1	34	-2.0	-155.93	317.84	3.02	-152.91
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC=C1	REAL300010864472	1	40	-2.0	-174.37	350.42	3.50	-170.87
O=C([O-])C(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300010864507	0	39	-2.0	-106.17	337.01	4.86	-101.31
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC=C1	REAL300010864527	1	35	-2.0	-145.22	326.84	6.24	-138.98
CC1=CSC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300010864537	1	30	-2.0	-141.76	295.15	3.18	-138.58
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010864555	0	34	-2.0	-108.72	326.35	5.90	-102.82
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300010864560	0	32	-2.0	-104.48	331.54	4.85	-99.63
O=C([O-])C([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1=CC=CC=C1	REAL300010864579	1	35	-2.0	-124.48	343.33	6.92	-117.56
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C1=CC=CC=C1	REAL300010864646	0	32	-2.0	-115.12	305.03	3.91	-111.21
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=C(C2=CC=CC=C2)O1	REAL300010864672	1	40	-2.0	-150.44	367.64	3.99	-146.45
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300010864688	1	33	-2.0	-136.94	305.63	2.53	-134.41
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010864696	1	37	-2.0	-116.79	340.38	3.30	-113.49
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)=N[N-]1	REAL300010864696	1	37	-2.0	-116.78	340.54	3.29	-113.49
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010864698	0	34	-2.0	-126.04	339.50	4.94	-121.10
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300010864702	1	35	-2.0	-139.57	329.82	4.58	-134.99
N#CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC=C2)OC=C1	REAL300010864715	1	29	-2.0	-139.55	289.53	4.07	-135.48
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC=C1	REAL300010864716	1	34	-2.0	-155.93	317.84	3.02	-152.91
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)S1	REAL300010864754	1	40	-2.0	-104.57	371.22	3.13	-101.44
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC=C1	REAL300010864807	1	37	-2.0	-157.10	335.90	6.97	-150.13
O=C([O-])C([N-]S(=O)(=O)C1=C(Br)C=NS1)C1=CC=CC=C1	REAL300010864812	1	27	-2.0	-125.20	290.80	3.98	-121.22
CC1=CC=C([O-])C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010864830	1	35	-2.0	-122.83	317.63	4.52	-118.31
O=C([O-])C(NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C1=CC=CC=C1	REAL300010864831	0	36	-2.0	-119.15	337.93	5.24	-113.91
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCCC1	REAL300010864856	1	34	-2.0	-123.62	312.41	4.60	-119.02
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCCC1	REAL300010864861	0	34	-2.0	-133.97	300.68	4.87	-129.10
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCCC1	REAL300010864887	1	34	-2.0	-125.73	306.26	4.55	-121.18
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCCC1	REAL300010864889	1	31	-2.0	-113.77	317.19	4.57	-109.20
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CCCC1	REAL300010864895	1	34	-2.0	-117.18	334.70	6.23	-110.95
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CCCC1	REAL300010864901	0	34	-2.0	-117.95	326.84	5.15	-112.80
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CCCC1	REAL300010864903	1	34	-2.0	-117.72	326.85	5.14	-112.58
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCCC1	REAL300010864904	1	34	-2.0	-116.40	312.54	4.60	-111.80
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCCC1	REAL300010864916	0	34	-2.0	-123.38	309.27	4.77	-118.61
CN1C=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)=C1Cl	REAL300010864933	1	34	-2.0	-131.78	311.82	3.99	-127.79
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1	REAL300010864971	1	38	-2.0	-129.76	332.03	4.90	-124.86
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)O1	REAL300010865007	1	37	-2.0	-121.61	333.89	3.20	-118.41
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCCC1	REAL300010865010	0	36	-2.0	-139.13	317.05	6.12	-133.01
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCCC1	REAL300010865014	1	34	-2.0	-130.04	312.50	5.47	-124.57
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CCCC1	REAL300010865021	0	36	-2.0	-122.24	344.77	7.16	-115.08
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCCC1	REAL300010865050	1	36	-2.0	-133.86	324.43	6.66	-127.20
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)C(=O)N(C)C1=O	REAL300010865103	1	40	-2.0	-125.12	341.31	3.42	-121.70
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1	REAL300010865118	1	40	-2.0	-140.34	347.22	3.01	-137.33
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCCC1	REAL300010865145	1	36	-2.0	-128.05	329.62	6.54	-121.51
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCC1	REAL300010865185	1	37	-2.0	-132.19	324.11	4.82	-127.37
COC(=O)C1=COC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)=C1	REAL300010865197	1	37	-2.0	-123.50	334.23	3.16	-120.34
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)O1	REAL300010865232	1	40	-2.0	-122.20	355.75	4.13	-118.07
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CCCC1	REAL300010865239	1	37	-2.0	-127.19	329.47	6.46	-120.73
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=CS2)CCCC1	REAL300010865241	1	31	-2.0	-121.81	306.66	3.99	-117.82
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CCCC1	REAL300010865247	1	33	-2.0	-114.94	323.96	3.74	-111.20
CCN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)C([N+](=O)[O-])=N1	REAL300010865250	1	39	-2.0	-133.17	342.62	5.41	-127.76
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCCC1	REAL300010865251	1	36	-2.0	-136.30	322.83	6.09	-130.21
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010865256	1	42	-2.0	-97.36	363.68	1.32	-96.04
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CC(F)=C2F)CCCC1	REAL300010865276	1	34	-2.0	-132.48	306.14	4.54	-127.94
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010865307	0	35	-2.0	-122.32	323.65	5.10	-117.22
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCCC1	REAL300010865322	1	35	-2.0	-129.91	310.17	5.19	-124.72
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCCC1	REAL300010865353	0	39	-2.0	-102.54	353.30	3.81	-98.73
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCCC1	REAL300010865353	1	39	-2.0	-102.52	353.36	3.81	-98.71
CC1=C(Br)SC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)=N1	REAL300010865358	0	33	-2.0	-119.28	322.69	2.64	-116.64
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCCC1	REAL300010865366	0	34	-2.0	-112.49	321.59	4.90	-107.59
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCCC1	REAL300010865377	1	33	-2.0	-122.21	313.32	3.87	-118.34
O=C([O-])C1(C[N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCCC1	REAL300010865380	1	33	-2.0	-110.44	319.79	3.61	-106.83
COC(=O)C1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)SC=N1	REAL300010865413	0	36	-2.0	-125.98	329.52	2.76	-123.22
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CCCC1	REAL300010865423	1	31	-2.0	-121.43	298.73	3.14	-118.29
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCCC1	REAL300010865434	1	34	-2.0	-130.71	308.91	5.32	-125.39
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCCC1	REAL300010865488	1	34	-2.0	-116.46	329.52	5.54	-110.92
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCCC1	REAL300010865503	0	34	-2.0	-122.59	315.43	4.83	-117.76
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CCCC1	REAL300010865518	1	36	-2.0	-107.61	348.15	6.04	-101.57
CC1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)C(N)=NO1	REAL300010865537	1	35	-2.0	-113.39	300.78	1.82	-111.57
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCCC1	REAL300010865540	0	36	-2.0	-115.77	344.25	5.65	-110.12
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCCC1	REAL300010865542	1	36	-2.0	-112.36	340.51	5.53	-106.83
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCCC1	REAL300010865543	1	34	-2.0	-115.86	324.36	5.80	-110.06
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300010865550	1	37	-2.0	-98.66	336.82	1.12	-97.54
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCCC1	REAL300010865574	0	34	-2.0	-123.70	316.70	5.28	-118.42
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCCC1	REAL300010865580	1	34	-2.0	-126.25	316.58	5.00	-121.25
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CCCC1	REAL300010865583	1	36	-2.0	-117.39	341.91	6.26	-111.13
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1	REAL300010865586	0	42	-2.0	-120.79	356.92	6.02	-114.77
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)=C(Br)N1C	REAL300010865610	1	37	-2.0	-136.58	336.12	3.80	-132.78
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCCC1	REAL300010865614	0	38	-2.0	-98.06	332.35	4.36	-93.70
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)C(C(F)(F)F)=N1	REAL300010865647	1	37	-2.0	-125.34	329.93	3.21	-122.13
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCCC1	REAL300010865648	1	36	-2.0	-118.51	331.99	6.63	-111.88
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CS2)CCCC1	REAL300010865650	1	31	-2.0	-125.25	292.63	3.48	-121.77
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCC1	REAL300010865664	1	37	-2.0	-124.45	330.53	4.89	-119.56
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCCC1	REAL300010865665	1	37	-2.0	-129.14	346.86	6.42	-122.72
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CS2)CCCC1	REAL300010865672	1	31	-2.0	-122.82	302.33	3.89	-118.93
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)=C1F	REAL300010865710	1	40	-2.0	-125.07	367.99	5.70	-119.37
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2Br)CCCC1	REAL300010865740	1	33	-2.0	-127.40	305.63	3.32	-124.08
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)=C1F	REAL300010865750	1	40	-2.0	-124.60	357.67	5.26	-119.34
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)O1	REAL300010865760	1	40	-2.0	-123.03	351.79	3.78	-119.25
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CCCC1	REAL300010865770	1	33	-2.0	-124.08	316.32	3.10	-120.98
COC(=O)C1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)OC=C1	REAL300010865774	0	37	-2.0	-132.60	326.48	3.87	-128.73
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)=N1	REAL300010865777	0	36	-2.0	-139.53	321.44	3.41	-136.12
CC1=NSC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)=C1	REAL300010865782	1	33	-2.0	-116.06	301.36	2.81	-113.25
O=C([O-])C1(C[N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCCC1	REAL300010865785	1	34	-2.0	-121.78	309.73	1.93	-119.85
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)NC=N2)CCCC1	REAL300010865805	1	31	-2.0	-131.50	293.70	2.43	-129.07
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCCC1	REAL300010865807	1	33	-2.0	-115.04	319.39	3.64	-111.40
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCCC1	REAL300010865808	1	33	-2.0	-123.75	311.73	3.02	-120.73
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)N=C2F)CCCC1	REAL300010865809	1	33	-2.0	-122.68	301.27	2.53	-120.15
O=C([O-])C1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CCCC1	REAL300010865814	1	38	-2.0	-154.10	325.53	1.69	-152.41
CCS(=O)(CC)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1	REAL300010865818	1	40	-2.0	-151.76	336.58	2.19	-149.57
CN1N=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)=C1C(F)(F)F	REAL300010865828	1	37	-2.0	-117.59	327.02	3.04	-114.55
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CCCC1	REAL300010865839	0	35	-2.0	-99.37	300.02	3.42	-95.95
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1	REAL300010865841	1	37	-2.0	-139.98	325.36	2.08	-137.90
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1	REAL300010865844	1	43	-2.0	-156.63	355.73	2.62	-154.01
O=C([O-])C1CCN(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300010865884	0	42	-2.0	-111.73	340.29	4.40	-107.33
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=CO2)CCCC1	REAL300010865894	0	31	-2.0	-123.31	295.02	3.15	-120.16
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1	REAL300010865904	1	38	-2.0	-129.53	330.78	5.08	-124.45
CC1=CSC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)=N1	REAL300010865916	1	33	-2.0	-125.24	302.84	1.96	-123.28
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300010865934	0	37	-2.0	-102.49	321.82	5.07	-97.42
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCCC1	REAL300010865936	1	37	-2.0	-135.05	323.78	3.64	-131.41
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCC1	REAL300010865939	0	35	-2.0	-96.49	326.42	4.42	-92.07
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CCCC1	REAL300010865973	1	31	-2.0	-121.43	298.73	3.14	-118.29
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCCC1	REAL300010866002	1	34	-2.0	-120.02	318.21	3.63	-116.39
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CCCC1	REAL300010866023	0	35	-2.0	-99.37	300.02	3.42	-95.95
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CCCC1	REAL300010866028	0	34	-2.0	-124.85	324.16	5.33	-119.52
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCC1	REAL300010866029	1	36	-2.0	-122.08	335.36	3.70	-118.38
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)O2)CCCC1	REAL300010866031	1	31	-2.0	-120.94	294.09	3.03	-117.91
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCC1	REAL300010866033	1	36	-2.0	-122.08	335.36	3.70	-118.38
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCCC1	REAL300010866037	1	34	-2.0	-122.50	321.86	5.03	-117.47
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)=C(C2=CC=CC=C2)O1	REAL300010866050	1	43	-2.0	-131.98	364.47	3.48	-128.50
CCN1N=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)=N1	REAL300010866067	1	36	-2.0	-124.90	315.06	1.28	-123.62
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300010866076	1	40	-2.0	-101.25	349.89	2.47	-98.78
CCOC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)=N[N-]1	REAL300010866076	1	40	-2.0	-101.21	349.94	2.47	-98.74
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)=C1	REAL300010866078	0	37	-2.0	-117.39	348.91	3.70	-113.69
COC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010866082	1	38	-2.0	-129.84	332.34	4.00	-125.84
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCCC1	REAL300010866087	1	31	-2.0	-113.42	319.42	4.52	-108.90
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1	REAL300010866096	1	37	-2.0	-139.98	325.36	2.08	-137.90
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=C(Br)C=N2)CCCC1	REAL300010866127	0	32	-2.0	-124.74	307.69	2.12	-122.62
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2Cl)CCCC1	REAL300010866130	1	33	-2.0	-129.23	302.04	3.18	-126.05
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)S1	REAL300010866135	1	43	-2.0	-98.77	372.81	2.70	-96.07
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CCCC1	REAL300010866139	0	33	-2.0	-129.45	315.25	3.28	-126.17
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CCCC1	REAL300010866165	1	36	-2.0	-129.64	313.58	3.91	-125.73
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)CCCC1	REAL300010866171	0	33	-2.0	-122.41	323.63	3.70	-118.71
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1	REAL300010866186	1	40	-2.0	-121.11	358.42	6.60	-114.51
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1	REAL300010866188	1	40	-2.0	-142.10	345.08	6.10	-136.00
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=NS2)CCCC1	REAL300010866194	0	30	-2.0	-113.66	299.41	2.79	-110.87
CC1=CC=C([O-])C(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300010866209	1	38	-2.0	-106.91	315.03	4.02	-102.89
O=C([O-])C1(CNS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CCCC1	REAL300010866210	0	39	-2.0	-102.78	343.57	4.72	-98.06
CCCCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866211	0	40	-2.0	-105.35	338.70	3.01	-102.34
CC1=NOC(C)=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866212	0	40	-2.0	-104.80	344.32	1.26	-103.54
CN(C)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866213	0	36	-2.0	-105.10	303.18	1.42	-103.68
CC1=CC=CC=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866214	0	41	-2.0	-113.01	345.60	3.36	-109.65
CC1=NC(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CN1C	REAL300010866215	0	41	-2.0	-117.04	356.19	1.67	-115.37
CN1C=NC(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010866216	0	38	-2.0	-115.48	336.52	1.84	-113.64
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=CN=C1	REAL300010866217	0	37	-2.0	-112.72	323.83	2.21	-110.51
N#CCCCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866218	0	38	-2.0	-102.59	338.05	2.75	-99.84
CC(C)N(C)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866219	1	42	-2.0	-114.87	344.76	2.66	-112.21
CN(CCC#N)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866220	0	40	-2.0	-103.27	345.77	2.83	-100.44
CCCCN(C)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866221	1	45	-2.0	-106.09	367.91	3.87	-102.22
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1CC1	REAL300010866222	0	35	-2.0	-113.04	308.89	1.38	-111.66
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1=NOC=C1	REAL300010866223	0	37	-2.0	-122.92	334.04	0.89	-122.03
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CC2CCC1C2	REAL300010866224	1	44	-2.0	-120.75	355.69	3.31	-117.44
CC(C)OCCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866225	1	44	-2.0	-107.62	371.50	2.22	-105.40
CC(C)(C)CCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866226	1	46	-2.0	-106.48	372.44	3.93	-102.55
CCCCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866227	0	40	-2.0	-105.35	338.70	3.01	-102.34
CCCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866228	0	37	-2.0	-104.84	317.20	2.23	-102.61
COCCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866229	0	38	-2.0	-106.32	329.38	0.51	-105.81
CCN(C)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866230	0	39	-2.0	-105.87	324.93	2.32	-103.55
CCCN(C)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866231	1	42	-2.0	-106.01	346.41	3.09	-102.92
CC1=NOC(CS(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010866232	0	40	-2.0	-117.29	356.00	1.76	-115.53
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CN=CC(F)=C1	REAL300010866233	0	37	-2.0	-114.37	333.58	1.14	-113.23
CCOCCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866234	0	41	-2.0	-106.79	351.23	1.48	-105.31
N#CCCCCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866235	0	41	-2.0	-107.24	359.55	3.53	-103.71
CCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866236	0	34	-2.0	-104.03	295.65	1.43	-102.60
CCN(CC)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866237	1	42	-2.0	-113.95	347.13	2.93	-111.02
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1=CC=CC=C1	REAL300010866238	1	41	-2.0	-117.08	359.03	3.61	-113.47
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCOCC1	REAL300010866239	0	41	-2.0	-112.44	340.53	0.82	-111.62
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCCCC1	REAL300010866240	1	43	-2.0	-116.80	348.84	1.91	-114.89
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCCC1	REAL300010866241	0	40	-2.0	-107.98	328.38	2.31	-105.67
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=CC=C1	REAL300010866242	0	38	-2.0	-121.56	333.04	2.83	-118.73
CS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866243	0	31	-2.0	-102.99	274.23	0.55	-102.44
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=CS1	REAL300010866244	0	35	-2.0	-117.77	325.48	1.94	-115.83
CC1=CC=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=C1	REAL300010866245	0	41	-2.0	-120.11	351.32	4.65	-115.46
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=C(F)C=C1	REAL300010866246	0	38	-2.0	-111.11	340.19	2.86	-108.25
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=CC(F)=C1	REAL300010866247	0	38	-2.0	-109.81	340.16	2.88	-106.93
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=CC=C1F	REAL300010866248	0	38	-2.0	-112.46	334.63	2.63	-109.83
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1CCOC1	REAL300010866249	0	39	-2.0	-103.65	320.40	0.48	-103.17
C=CCCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866250	0	38	-2.0	-105.40	330.01	2.79	-102.61
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CNC=N1	REAL300010866251	0	35	-2.0	-127.27	315.37	0.92	-126.35
CCCC(C)CS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866252	1	46	-2.0	-113.25	376.04	3.48	-109.77
CCC(C)CS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866253	1	43	-2.0	-113.01	354.54	2.73	-110.28
COCC(C)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866254	0	41	-2.0	-114.85	348.28	1.83	-113.02
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CCCF	REAL300010866255	0	37	-2.0	-102.28	323.79	2.37	-99.91
CN1C=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010866256	0	38	-2.0	-108.77	336.49	0.34	-108.43
CN(C1CC1)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866257	0	40	-2.0	-116.76	338.18	1.57	-115.19
COCCCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866258	0	41	-2.0	-104.73	350.87	1.30	-103.43
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1CCCO1	REAL300010866259	0	42	-2.0	-107.81	351.97	1.95	-105.86
CC(C)CS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866260	0	40	-2.0	-106.25	332.88	2.97	-103.28
CCN1C=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010866261	0	41	-2.0	-109.12	358.01	1.20	-107.92
CCNS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866262	0	36	-2.0	-102.91	307.86	0.13	-102.78
CCN(CC)C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866263	1	41	-2.0	-134.47	329.31	4.49	-129.98
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1CCOC1	REAL300010866264	0	42	-2.0	-110.52	353.33	0.73	-109.79
COCCN(C)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866265	1	43	-2.0	-108.53	355.45	1.55	-106.98
CN(CC1CC1)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866266	1	43	-2.0	-110.20	362.49	2.45	-107.75
CC1=NNC=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866267	0	38	-2.0	-113.29	337.46	-0.09	-113.38
CC1=CC=CC(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010866268	0	41	-2.0	-121.52	353.43	3.53	-117.99
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1=CC=CC=C1	REAL300010866269	1	41	-2.0	-117.08	359.03	3.61	-113.47
CC1=NNC(C)=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866270	0	41	-2.0	-112.66	343.09	1.83	-110.83
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1CC1	REAL300010866271	0	38	-2.0	-112.25	330.74	2.13	-110.12
CC(C)(C)CS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866272	1	43	-2.0	-106.25	347.06	3.59	-102.66
CCC(C)CS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866273	1	43	-2.0	-113.01	354.54	2.73	-110.28
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CC1CCC1	REAL300010866274	0	41	-2.0	-112.36	347.41	2.67	-109.69
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CCC1CC1	REAL300010866275	0	41	-2.0	-111.64	352.20	2.91	-108.73
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CBr	REAL300010866276	0	31	-2.0	-99.11	295.99	1.37	-97.74
CC1=CC=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010866277	0	38	-2.0	-111.02	335.64	3.16	-107.86
CN(C)C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866278	1	35	-2.0	-129.93	289.80	2.36	-127.57
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1CCOCC1	REAL300010866279	1	40	-2.0	-127.29	321.22	3.41	-123.88
CCN(C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C(C)C	REAL300010866280	1	44	-2.0	-135.76	339.84	4.75	-131.01
CC1=CC(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C(C)O1	REAL300010866281	0	41	-2.0	-121.83	356.20	3.69	-118.14
CCCCCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866282	1	43	-2.0	-105.46	360.20	3.79	-101.67
CC(C)CN(C)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866283	1	45	-2.0	-107.23	360.52	3.62	-103.61
CC1CCN(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1	REAL300010866284	1	43	-2.0	-119.01	357.60	1.85	-117.16
CC(C)NS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866285	0	39	-2.0	-114.61	327.66	0.99	-113.62
COCCC(C)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866286	1	44	-2.0	-115.39	366.48	2.53	-112.86
N#CC1(CS(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CC1	REAL300010866287	0	39	-2.0	-119.87	347.70	2.25	-117.62
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)NC1CC1	REAL300010866288	0	37	-2.0	-107.23	314.86	0.82	-106.41
CN1N=CC=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866289	0	38	-2.0	-102.35	317.37	1.36	-100.99
NC1=CC=CC(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010866290	0	40	-2.0	-122.02	347.08	0.74	-121.28
COCC(C)CS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866291	1	44	-2.0	-106.13	365.88	2.06	-104.07
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=CN=C1	REAL300010866292	0	37	-2.0	-112.72	323.83	2.21	-110.51
N#CC1(CS(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CCC1	REAL300010866293	0	42	-2.0	-120.26	363.69	2.69	-117.57
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)OCC1CC1	REAL300010866294	1	38	-2.0	-123.10	330.03	4.24	-118.86
CCCN(C)C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866295	1	41	-2.0	-130.79	331.73	5.62	-125.17
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CCCCCl	REAL300010866296	0	40	-2.0	-104.16	355.85	3.63	-100.53
C=C(C)CS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866297	0	38	-2.0	-106.65	329.94	2.67	-103.98
CN(CC1=CC=CC=C1)C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866298	1	45	-2.0	-140.15	370.85	6.44	-133.71
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=CO1	REAL300010866299	0	35	-2.0	-117.15	316.96	1.47	-115.68
CN1N=NC=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866300	0	37	-2.0	-109.73	331.15	0.50	-109.23
CN(C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300010866301	0	42	-2.0	-114.80	356.04	5.66	-109.14
CC(C)N(C)C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866302	1	41	-2.0	-135.41	328.83	3.98	-131.43
CC1=CC=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010866303	0	40	-2.0	-119.01	350.41	1.56	-117.45
CNS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866304	0	33	-2.0	-101.91	288.93	-0.74	-102.65
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)OCC(F)(F)F	REAL300010866305	0	34	-2.0	-111.94	314.68	4.07	-107.87
CCNC(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866306	1	35	-2.0	-128.45	299.09	1.98	-126.47
CCC(C)(C)N(C)C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866307	1	47	-2.0	-135.54	356.36	4.60	-130.94
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CBr	REAL300010866308	0	31	-2.0	-99.11	295.99	1.37	-97.74
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)OCC1CCCO1	REAL300010866309	1	42	-2.0	-124.12	352.03	3.99	-120.13
CC1CCCN(C(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1	REAL300010866310	1	45	-2.0	-124.56	357.97	6.17	-118.39
CN(CC(F)(F)F)C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866311	0	38	-2.0	-127.43	324.83	5.13	-122.30
CN(C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CCCC1	REAL300010866312	1	45	-2.0	-133.70	351.18	5.16	-128.54
CN(C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CCOCC1	REAL300010866313	1	46	-2.0	-133.80	361.14	3.46	-130.34
N#CCC1(CS(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CC1	REAL300010866314	0	42	-2.0	-111.86	365.70	3.05	-108.81
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CCC1CCC1	REAL300010866315	1	44	-2.0	-112.72	368.85	3.45	-109.27
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CSC=C1	REAL300010866316	0	35	-2.0	-105.85	319.29	2.84	-103.01
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=COC=C1	REAL300010866317	0	35	-2.0	-109.58	314.78	0.67	-108.91
CC1=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])N(C)N=C1	REAL300010866318	0	41	-2.0	-116.42	350.08	1.43	-114.99
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1CCSCC1	REAL300010866319	1	40	-2.0	-123.72	333.15	5.42	-118.30
COC1CN(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1	REAL300010866320	0	41	-2.0	-114.55	353.75	-0.85	-115.40
N#CC1=CC=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010866321	0	36	-2.0	-102.57	336.77	1.42	-101.15
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CCCCF	REAL300010866322	0	40	-2.0	-104.86	345.29	3.15	-101.71
CC1=NN(C)C=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866323	0	41	-2.0	-116.24	360.33	1.23	-115.01
CCN(C)C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866324	1	38	-2.0	-130.10	310.23	4.86	-125.24
COCC1(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CC1	REAL300010866325	0	42	-2.0	-120.02	350.15	2.84	-117.18
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CCl	REAL300010866326	0	31	-2.0	-99.25	291.32	1.25	-98.00
CC1(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CC1	REAL300010866327	0	38	-2.0	-106.56	316.81	2.55	-104.01
CCCNS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866328	0	39	-2.0	-103.74	326.01	0.76	-102.98
CC1=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=NN1C	REAL300010866329	0	41	-2.0	-119.65	346.57	0.64	-119.01
C=CCCCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866330	1	41	-2.0	-105.52	351.51	3.57	-101.95
CC(C)(CC#N)CS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866331	0	44	-2.0	-101.79	364.10	3.79	-98.00
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=CC=N1	REAL300010866332	0	37	-2.0	-126.98	328.59	2.70	-124.28
CCC(CS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])OC	REAL300010866333	1	44	-2.0	-109.90	365.17	2.29	-107.61
CN1C=CC(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010866334	0	38	-2.0	-115.11	335.73	1.63	-113.48
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CSC=N1	REAL300010866335	0	34	-2.0	-120.62	320.32	0.48	-120.14
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=C(F)C=C1	REAL300010866336	0	38	-2.0	-111.11	340.19	2.86	-108.25
CCCCNC(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866337	1	41	-2.0	-128.25	342.07	3.51	-124.74
CCC1(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CC1	REAL300010866338	0	41	-2.0	-113.38	326.79	3.39	-109.99
CC1=NC=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])N1C	REAL300010866339	0	41	-2.0	-114.84	354.41	1.44	-113.40
CC(C)C1(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CC1	REAL300010866340	1	44	-2.0	-106.19	328.26	5.03	-101.16
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)NC1CCCCC1	REAL300010866341	1	45	-2.0	-132.08	361.29	4.63	-127.45
CC(C)NC(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866342	1	38	-2.0	-129.86	319.64	2.78	-127.08
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=NC=CN1	REAL300010866343	0	35	-2.0	-114.94	312.50	0.89	-114.05
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=NC=C[N-]1	REAL300010866343	1	34	-3.0	-200.98	312.14	-0.48	-201.46
CC1=NOC=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866345	0	37	-2.0	-105.42	323.74	0.36	-105.06
CS(C)(=O)=NS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866346	0	38	-2.0	-117.83	339.95	-0.43	-118.26
CC(F)(F)CCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866347	0	40	-2.0	-108.68	349.82	3.14	-105.54
CN1C=NN=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866348	0	37	-2.0	-128.51	328.55	2.20	-126.31
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CCCC1CC1	REAL300010866349	1	44	-2.0	-111.38	373.74	3.69	-107.69
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=NS1	REAL300010866350	0	34	-2.0	-106.10	319.64	0.55	-105.55
NC1=NC=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=N1	REAL300010866351	0	38	-2.0	-106.20	334.79	1.13	-105.07
CNS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866352	0	33	-2.0	-101.91	288.93	-0.74	-102.65
CC(C)NS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866353	0	39	-2.0	-114.61	327.66	0.99	-113.62
CCN1N=NC=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866354	0	40	-2.0	-107.71	339.26	0.91	-106.80
CN1N=NN=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866355	0	36	-2.0	-120.06	320.57	-1.02	-121.08
CCCCN(C)C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866356	1	44	-2.0	-131.37	353.23	6.40	-124.97
CN(C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CCC1	REAL300010866357	1	42	-2.0	-131.72	331.98	4.61	-127.11
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300010866358	1	46	-2.0	-128.82	369.87	5.70	-123.12
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1CC2CC2C1	REAL300010866359	1	40	-2.0	-129.75	324.48	5.62	-124.13
CC(OC(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C(F)(F)F	REAL300010866360	0	37	-2.0	-115.85	336.71	3.72	-112.13
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300010866361	1	43	-2.0	-131.04	338.33	5.73	-125.31
CC1(C)CCCN(C(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1	REAL300010866362	1	48	-2.0	-134.12	369.08	5.78	-128.34
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300010866363	1	44	-2.0	-121.51	361.68	2.42	-119.09
CC1=NN(C)C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010866364	0	41	-2.0	-110.12	357.06	0.66	-109.46
CN(C1CCC1)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866365	1	43	-2.0	-107.72	344.34	3.01	-104.71
CN(C(C)(C)C)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866366	1	45	-2.0	-118.62	350.83	3.15	-115.47
CCC1=CC=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010866367	0	41	-2.0	-111.83	357.12	3.97	-107.86
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C=CC1=CC=CO1	REAL300010866368	0	39	-2.0	-107.06	346.09	3.02	-104.04
CC1=CN=CC(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010866369	0	40	-2.0	-116.27	348.62	1.73	-114.54
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1CCC=C(Cl)C1	REAL300010866370	0	40	-2.0	-129.51	341.62	5.06	-124.45
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1(Cl)CC1	REAL300010866371	0	35	-2.0	-101.95	303.23	3.13	-98.82
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CC2CC1C2	REAL300010866372	0	41	-2.0	-121.03	342.99	2.86	-118.17
CCOCCCS(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866373	0	44	-2.0	-105.22	372.73	2.26	-102.96
CCN1N=CC(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=N1	REAL300010866374	0	40	-2.0	-112.00	353.13	-0.40	-112.40
CC1=COC(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=C1	REAL300010866375	0	38	-2.0	-117.70	338.87	2.13	-115.57
CC1=CC=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])O1	REAL300010866376	0	38	-2.0	-111.02	335.64	3.16	-107.86
CCC1=NNC=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866377	0	41	-2.0	-109.45	353.81	0.33	-109.12
CCCNC(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866378	1	38	-2.0	-128.54	320.58	2.74	-125.80
CC(=O)OC1CCN(C(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1	REAL300010866379	1	45	-2.0	-134.69	373.70	4.48	-130.21
N#CC1=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])OC=C1	REAL300010866380	0	36	-2.0	-109.87	340.15	1.68	-108.19
N#CC1=C(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C=CO1	REAL300010866381	0	36	-2.0	-99.25	328.21	1.78	-97.47
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=NNN=C1	REAL300010866382	0	34	-2.0	-113.77	309.99	-1.87	-115.64
CC1=CC=NC=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866383	0	40	-2.0	-120.26	337.40	2.58	-117.68
CC1(C)COCCN1C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866384	1	46	-2.0	-124.42	352.33	3.79	-120.63
C[C@@H]1CN(C(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C[C@H](C)O1	REAL300010866385	1	46	-2.0	-123.16	361.58	4.30	-118.86
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=CC(O)=C1	REAL300010866386	0	39	-2.0	-124.69	343.03	0.01	-124.68
CC1=CN=CC=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866387	0	40	-2.0	-112.20	331.84	1.27	-110.93
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CSN=C1	REAL300010866388	0	34	-2.0	-107.32	321.47	0.54	-106.78
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1CC2CC1C2	REAL300010866389	1	40	-2.0	-134.55	322.70	5.67	-128.88
C=CCN(CC=C)S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866390	1	44	-2.0	-115.37	375.09	4.08	-111.29
CC1=CC=CN=C1S(=O)(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866391	0	40	-2.0	-130.45	345.50	2.24	-128.21
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1CCC2=CC=CC=C2C1	REAL300010866392	1	46	-2.0	-130.70	367.86	7.72	-122.98
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1CC2CCC1C2	REAL300010866393	1	43	-2.0	-135.50	337.96	6.25	-129.25
CC(C)CN(C)C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866394	1	44	-2.0	-131.74	346.21	6.17	-125.57
CC1=CC(S(=O)(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])=CC=N1	REAL300010866395	0	40	-2.0	-113.85	346.79	2.84	-111.01
CN(C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1=CC=CC=C1	REAL300010866396	1	42	-2.0	-138.00	341.33	5.60	-132.40
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1CCCCC1	REAL300010866397	1	42	-2.0	-127.31	329.55	5.34	-121.97
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1CC2=CC=CC=C2C1	REAL300010866398	1	43	-2.0	-134.83	356.83	5.95	-128.88
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010866399	1	49	-2.0	-130.31	374.68	7.28	-123.03
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1CCC(F)(F)C1	REAL300010866400	0	39	-2.0	-125.52	327.19	5.12	-120.40
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CN=CS1	REAL300010866401	0	34	-2.0	-100.09	315.69	0.89	-99.20
CC1CCCCN1C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-]	REAL300010866402	1	45	-2.0	-117.34	344.56	6.36	-110.98
CN(C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1CC1	REAL300010866403	1	39	-2.0	-127.22	319.36	3.78	-123.44
CO[C@H]1CCN(C(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])C1	REAL300010866404	1	43	-2.0	-132.85	347.10	3.72	-129.13
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1CCCCCC1	REAL300010866405	1	45	-2.0	-126.44	345.57	6.33	-120.11
CC1(C)CCN(C(=O)N2CCCC([N-]C(=O)C(F)(F)F)C2C(=O)[O-])CC1	REAL300010866406	1	48	-2.0	-124.52	370.72	6.52	-118.00
CCN(C(=O)N1CCCC([N-]C(=O)C(F)(F)F)C1C(=O)[O-])C1=CC=CC=C1	REAL300010866407	1	45	-2.0	-137.34	356.09	6.57	-130.77
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1CCCC2=CC=CC=C21	REAL300010866408	1	46	-2.0	-134.68	370.68	7.24	-127.44
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)N1CCOC(C2CC2)C1	REAL300010866409	1	47	-2.0	-130.46	374.92	4.79	-125.67
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCCCC2CC(=O)[O-])C(F)=C1	REAL300010866834	1	42	-2.0	-109.48	340.06	2.42	-107.06
O=C([O-])CC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010866931	0	39	-2.0	-107.29	337.21	5.77	-101.52
O=C([O-])CC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010866931	1	39	-2.0	-107.26	337.28	5.76	-101.50
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCCC2CC(=O)[O-])S1	REAL300010867128	1	37	-2.0	-107.71	321.80	2.84	-104.87
O=C([O-])CC1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010867192	0	38	-2.0	-115.65	325.26	6.07	-109.58
O=C([O-])CC1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010867417	0	35	-2.0	-117.11	292.98	5.12	-111.99
O=C([O-])CC1CCCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010867462	0	42	-2.0	-106.54	317.97	6.51	-100.03
O=C([O-])CC1CCCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010867512	0	37	-2.0	-118.35	314.26	7.25	-111.10
O=C([O-])CC1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010867517	0	35	-2.0	-104.68	302.59	5.11	-99.57
O=C([O-])CC1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010867601	0	35	-2.0	-117.11	292.98	5.12	-111.99
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCCC2CC(=O)[O-])=C1	REAL300010867654	1	40	-2.0	-104.54	333.92	3.06	-101.48
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2CC(=O)[O-])=N[N-]1	REAL300010867654	1	40	-2.0	-104.49	333.97	3.04	-101.45
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCCC2CC(=O)[O-])S1	REAL300010867713	1	43	-2.0	-104.09	356.07	3.20	-100.89
CC1=CC=C([O-])C(S(=O)(=O)N2CCCCC2CC(=O)[O-])=C1	REAL300010867787	1	38	-2.0	-125.03	307.95	5.73	-119.30
O=C([O-])CC1CCCCN1S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010867788	0	39	-2.0	-126.83	325.64	6.19	-120.64
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300010868464	1	38	-2.0	-96.43	339.18	0.45	-95.98
O=C([O-])CN(C1CCOCC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010868521	0	39	-2.0	-107.57	336.72	3.73	-103.84
O=C([O-])CN(C1CCOCC1)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010868726	0	36	-2.0	-108.91	304.38	2.79	-106.12
O=C([O-])CN(C1CCOCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010868764	0	43	-2.0	-97.13	340.46	3.77	-93.36
O=C([O-])CN(C1CCOCC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010868810	0	38	-2.0	-100.70	326.22	4.55	-96.15
O=C([O-])CN(C1CCOCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010868815	0	36	-2.0	-106.38	330.75	3.80	-102.58
O=C([O-])CN(C1CCOCC1)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010868896	0	36	-2.0	-108.91	304.38	2.79	-106.12
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)=C1	REAL300010868945	1	41	-2.0	-108.89	352.47	1.76	-107.13
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)=N[N-]1	REAL300010868945	1	41	-2.0	-108.85	352.66	1.78	-107.07
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)S1	REAL300010869001	1	44	-2.0	-96.45	371.81	1.88	-94.57
CC1=CC=C([O-])C(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)=C1	REAL300010869079	1	39	-2.0	-117.79	319.40	3.39	-114.40
O=C([O-])CN(C1CCOCC1)S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010869080	0	40	-2.0	-115.05	345.41	4.03	-111.02
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)S1	REAL300010869636	1	38	-2.0	-99.68	350.86	3.37	-96.31
O=C([O-])C1CN(S(=O)(=O)C2=NC=C[N-]2)CC2=CC=CC=C21	REAL300010869803	0	32	-2.0	-100.41	284.12	3.02	-97.39
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC2=CC=CC=C21	REAL300010869851	0	36	-2.0	-96.09	315.74	5.54	-90.55
O=C([O-])C1CCN(S(=O)(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300010869886	0	43	-2.0	-106.29	353.41	6.63	-99.66
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)=C1	REAL300010869926	0	38	-2.0	-100.75	339.43	7.51	-93.24
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC2=CC=CC=C21	REAL300010870000	0	36	-2.0	-96.09	315.74	5.54	-90.55
CCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010871155	0	38	-2.0	-107.52	304.43	4.92	-102.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010871202	0	33	-2.0	-94.67	294.13	4.88	-89.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010871207	0	31	-2.0	-97.95	294.69	4.54	-93.41
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010871323	1	36	-2.0	-103.23	321.38	3.25	-99.98
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=N[N-]1	REAL300010871323	1	36	-2.0	-103.23	321.42	3.27	-99.96
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])S1	REAL300010871378	1	39	-2.0	-100.64	334.34	3.12	-97.52
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010871437	0	35	-2.0	-102.69	311.37	4.53	-98.16
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300010871936	1	38	-2.0	-91.71	339.46	3.69	-88.02
O=C([O-])C1CCN(S(=O)(=O)C2=NC=C[N-]2)C2=CC=CC=C21	REAL300010872081	0	32	-2.0	-92.39	276.67	3.68	-88.71
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300010872188	0	38	-2.0	-96.08	335.01	8.10	-87.98
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300010872276	1	41	-2.0	-93.92	359.17	5.22	-88.70
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=N[N-]1	REAL300010872276	1	41	-2.0	-93.88	359.20	5.22	-88.66
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300010872324	1	39	-2.0	-108.71	328.72	6.69	-102.02
CC1CN(S(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)CCC1C(=O)[O-]	REAL300010872749	1	42	-2.0	-94.54	365.21	2.30	-92.24
CC1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1C(=O)[O-]	REAL300010872846	0	39	-2.0	-93.64	347.05	4.50	-89.14
CC1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1C(=O)[O-]	REAL300010872846	1	39	-2.0	-93.57	347.11	4.49	-89.08
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300010873043	1	37	-2.0	-90.36	330.54	1.80	-88.56
CC1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCC1C(=O)[O-]	REAL300010873107	0	38	-2.0	-90.58	330.42	5.04	-85.54
CC1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CCC1C(=O)[O-]	REAL300010873332	0	35	-2.0	-91.75	297.75	4.08	-87.67
CC1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC1C(=O)[O-]	REAL300010873377	0	42	-2.0	-98.17	333.54	5.32	-92.85
CC1CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CCC1C(=O)[O-]	REAL300010873427	0	37	-2.0	-96.30	319.70	5.92	-90.38
CC1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1C(=O)[O-]	REAL300010873432	0	35	-2.0	-89.60	324.09	5.07	-84.53
CC1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CCC1C(=O)[O-]	REAL300010873516	0	35	-2.0	-91.75	297.75	4.08	-87.67
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(C(=O)[O-])C(C)C2)=C1	REAL300010873569	1	40	-2.0	-90.73	344.62	3.30	-87.43
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C(C)C2)=N[N-]1	REAL300010873569	1	40	-2.0	-90.80	344.73	3.30	-87.50
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C(C)C2)S1	REAL300010873628	1	43	-2.0	-91.51	370.06	3.26	-88.25
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(C(=O)[O-])C(C)C2)=C1	REAL300010873702	1	38	-2.0	-98.62	312.77	4.69	-93.93
CC1CN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CCC1C(=O)[O-]	REAL300010873703	0	39	-2.0	-98.53	331.56	5.39	-93.14
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCOCC1	REAL300010873727	1	32	-2.0	-124.17	288.41	3.17	-121.00
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCOCC1	REAL300010873730	0	32	-2.0	-137.19	278.84	3.22	-133.97
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCOCC1	REAL300010873756	1	32	-2.0	-128.14	282.25	3.10	-125.04
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCOCC1	REAL300010873758	1	29	-2.0	-116.32	293.20	3.13	-113.19
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CCOCC1	REAL300010873764	1	32	-2.0	-117.25	310.63	4.77	-112.48
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCOCC1	REAL300010873771	1	32	-2.0	-118.97	288.35	3.19	-115.78
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCOCC1	REAL300010873783	0	32	-2.0	-125.41	285.24	3.30	-122.11
CN1C=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C1Cl	REAL300010873797	1	32	-2.0	-134.82	288.82	2.49	-132.33
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	REAL300010873833	1	36	-2.0	-131.49	307.98	3.39	-128.10
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)O1	REAL300010873864	1	35	-2.0	-118.77	310.15	1.76	-117.01
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCOCC1	REAL300010873867	0	34	-2.0	-152.34	294.78	4.68	-147.66
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCOCC1	REAL300010873871	1	32	-2.0	-133.44	290.00	3.91	-129.53
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CCOCC1	REAL300010873878	0	34	-2.0	-134.59	316.06	5.82	-128.77
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCOCC1	REAL300010873906	1	34	-2.0	-147.74	298.11	5.26	-142.48
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)CCOCC1	REAL300010873949	1	31	-2.0	-117.55	295.45	2.11	-115.44
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)C(=O)N(C)C1=O	REAL300010873956	1	38	-2.0	-135.74	317.80	1.72	-134.02
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	REAL300010873970	1	38	-2.0	-144.57	324.46	1.25	-143.32
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCOCC1	REAL300010873994	1	34	-2.0	-121.52	308.81	4.85	-116.67
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCOCC1	REAL300010874033	1	35	-2.0	-129.67	300.08	3.39	-126.28
COC(=O)C1=COC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C1	REAL300010874045	1	35	-2.0	-125.44	310.07	1.74	-123.70
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)O1	REAL300010874079	1	38	-2.0	-119.09	331.72	2.71	-116.38
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CCOCC1	REAL300010874086	1	35	-2.0	-129.90	306.93	4.91	-124.99
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=CS2)CCOCC1	REAL300010874088	1	29	-2.0	-124.17	278.83	2.74	-121.43
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CCOCC1	REAL300010874094	1	31	-2.0	-116.39	299.45	2.26	-114.13
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)C([N+](=O)[O-])=N1	REAL300010874097	1	37	-2.0	-133.93	319.76	3.64	-130.29
O=C([O-])C1([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCOCC1	REAL300010874098	1	34	-2.0	-137.85	303.72	4.21	-133.64
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)C(F)=C1	REAL300010874102	1	40	-2.0	-109.61	345.57	-0.97	-110.58
O=C([O-])C1([N-]S(=O)(=O)C2=CC=CC(F)=C2F)CCOCC1	REAL300010874119	1	32	-2.0	-133.36	282.15	3.09	-130.27
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)C(F)=C1	REAL300010874148	0	33	-2.0	-124.58	299.62	3.64	-120.94
O=C([O-])C1([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCOCC1	REAL300010874162	1	33	-2.0	-136.21	283.59	3.48	-132.73
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCOCC1	REAL300010874191	0	37	-2.0	-109.99	320.44	1.44	-108.55
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCOCC1	REAL300010874191	1	37	-2.0	-109.99	320.50	1.44	-108.55
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCOCC1	REAL300010874203	0	32	-2.0	-114.36	297.59	3.43	-110.93
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCOCC1	REAL300010874213	1	31	-2.0	-122.04	289.29	2.39	-119.65
O=C([O-])C1([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCOCC1	REAL300010874216	1	31	-2.0	-112.71	295.62	2.15	-110.56
COC(=O)C1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)SC=N1	REAL300010874247	0	34	-2.0	-127.16	307.63	0.68	-126.48
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCOCC1	REAL300010874255	1	29	-2.0	-119.31	274.70	1.72	-117.59
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCOCC1	REAL300010874264	1	32	-2.0	-130.46	286.34	3.75	-126.71
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCOCC1	REAL300010874317	1	32	-2.0	-117.61	304.91	4.06	-113.55
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCOCC1	REAL300010874333	0	32	-2.0	-124.85	291.26	3.39	-121.46
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CCOCC1	REAL300010874347	1	34	-2.0	-110.69	323.54	4.55	-106.14
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)C(N)=NO1	REAL300010874365	1	33	-2.0	-114.00	278.51	0.33	-113.67
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCOCC1	REAL300010874368	0	34	-2.0	-117.97	320.22	4.20	-113.77
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCOCC1	REAL300010874370	1	34	-2.0	-114.55	316.45	4.11	-110.44
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCOCC1	REAL300010874371	1	32	-2.0	-115.96	300.30	4.33	-111.63
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300010874378	1	35	-2.0	-107.58	306.71	-1.32	-108.90
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCOCC1	REAL300010874396	0	32	-2.0	-123.52	292.70	3.78	-119.74
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCOCC1	REAL300010874401	1	32	-2.0	-128.34	292.58	3.55	-124.79
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CCOCC1	REAL300010874404	1	34	-2.0	-122.75	317.84	4.80	-117.95
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	REAL300010874407	0	40	-2.0	-125.58	337.31	4.26	-121.32
N#CC1=CC=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)O1	REAL300010874424	1	30	-2.0	-114.91	274.24	1.53	-113.38
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C(Br)N1C	REAL300010874432	1	35	-2.0	-135.73	311.91	2.37	-133.36
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)C(C(F)(F)F)=N1	REAL300010874467	1	35	-2.0	-125.91	307.17	1.72	-124.19
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCOCC1	REAL300010874468	1	34	-2.0	-109.34	312.12	4.72	-104.62
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CS2)CCOCC1	REAL300010874470	1	29	-2.0	-132.01	266.94	2.10	-129.91
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCOCC1	REAL300010874484	1	35	-2.0	-123.26	306.50	3.46	-119.80
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCOCC1	REAL300010874485	1	35	-2.0	-132.36	325.03	4.91	-127.45
O=C([O-])C1([N-]S(=O)(=O)C2=CNN=C2Cl)CCOCC1	REAL300010874490	1	29	-2.0	-121.06	268.64	-0.20	-121.26
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CS2)CCOCC1	REAL300010874492	1	29	-2.0	-124.42	275.05	2.58	-121.84
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C1F	REAL300010874529	1	38	-2.0	-132.33	345.48	4.16	-128.17
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C1F	REAL300010874562	1	38	-2.0	-131.45	335.16	3.72	-127.73
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)O1	REAL300010874572	1	38	-2.0	-120.32	327.63	2.38	-117.94
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CCOCC1	REAL300010874582	1	31	-2.0	-124.49	292.25	1.68	-122.81
COC(=O)C1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)OC=C1	REAL300010874586	0	35	-2.0	-136.72	303.69	2.14	-134.58
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=N1	REAL300010874589	0	34	-2.0	-143.73	298.67	1.65	-142.08
CC1=NSC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C1	REAL300010874594	1	31	-2.0	-118.61	278.80	1.29	-117.32
O=C([O-])C1([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCOCC1	REAL300010874597	1	32	-2.0	-122.71	285.78	0.46	-122.25
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)NC=N2)CCOCC1	REAL300010874617	1	29	-2.0	-130.22	270.78	0.92	-129.30
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCOCC1	REAL300010874619	1	31	-2.0	-116.39	294.88	2.15	-114.24
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCOCC1	REAL300010874620	1	31	-2.0	-124.16	287.65	1.60	-122.56
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)N=C2F)CCOCC1	REAL300010874621	1	31	-2.0	-123.02	277.20	1.11	-121.91
CS(C)(=O)=NS(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	REAL300010874626	1	32	-2.0	-150.32	275.67	-1.14	-151.46
O=C([O-])C1([N-]S(=O)(=O)N=S2(=O)CCCC2)CCOCC1	REAL300010874627	1	36	-2.0	-154.48	301.52	0.24	-154.24
CCS(=O)(CC)=NS(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	REAL300010874631	1	38	-2.0	-152.34	314.72	0.52	-151.82
CN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C1C(F)(F)F	REAL300010874640	1	35	-2.0	-119.74	302.91	1.52	-118.22
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	REAL300010874650	1	35	-2.0	-143.79	302.59	0.33	-143.46
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	REAL300010874653	1	41	-2.0	-160.08	333.87	0.87	-159.21
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=CO2)CCOCC1	REAL300010874699	0	29	-2.0	-123.95	272.08	1.65	-122.30
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	REAL300010874709	1	36	-2.0	-130.39	306.76	3.57	-126.82
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300010874733	0	35	-2.0	-110.61	303.82	2.81	-107.80
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCOCC1	REAL300010874735	1	35	-2.0	-136.59	299.74	2.06	-134.53
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCOCC1	REAL300010874785	1	32	-2.0	-116.59	294.17	2.21	-114.38
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCOCC1	REAL300010874807	1	34	-2.0	-122.29	311.34	2.25	-120.04
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)O2)CCOCC1	REAL300010874809	1	29	-2.0	-118.58	270.06	1.60	-116.98
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCOCC1	REAL300010874814	1	32	-2.0	-123.39	297.87	3.58	-119.81
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C(C2=CC=CC=C2)O1	REAL300010874827	1	41	-2.0	-139.04	345.96	1.96	-137.08
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=N1	REAL300010874843	1	34	-2.0	-124.79	291.17	-0.16	-124.95
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300010874849	1	38	-2.0	-112.43	325.94	0.04	-112.39
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=N[N-]1	REAL300010874849	1	38	-2.0	-112.64	325.92	-0.01	-112.65
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)=C1	REAL300010874851	0	35	-2.0	-115.31	324.75	2.28	-113.03
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCOCC1	REAL300010874857	1	29	-2.0	-116.23	295.68	3.06	-113.17
N#CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)OC=C1	REAL300010874865	1	30	-2.0	-127.34	274.47	1.44	-125.90
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)S1	REAL300010874892	1	41	-2.0	-109.58	345.20	0.03	-109.55
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	REAL300010874915	1	38	-2.0	-120.28	341.51	4.84	-115.44
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	REAL300010874917	1	38	-2.0	-151.43	321.51	4.67	-146.76
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=NS2)CCOCC1	REAL300010874919	0	28	-2.0	-116.49	277.80	1.27	-115.22
CC1=CC=C([O-])C(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300010874923	1	36	-2.0	-114.46	297.55	1.38	-113.08
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCC1	REAL300010874947	1	31	-2.0	-114.99	293.39	4.13	-110.86
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCC1	REAL300010874952	0	31	-2.0	-132.21	286.99	4.05	-128.16
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCC1	REAL300010874975	1	31	-2.0	-121.97	287.23	4.07	-117.90
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCC1	REAL300010874977	1	28	-2.0	-113.35	298.17	4.11	-109.24
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CCC1	REAL300010874983	1	31	-2.0	-114.90	316.64	5.60	-109.30
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CCC1	REAL300010874988	0	31	-2.0	-114.19	307.80	4.67	-109.52
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CCC1	REAL300010874990	1	31	-2.0	-113.49	307.80	4.67	-108.82
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCC1	REAL300010874991	1	31	-2.0	-112.56	293.51	4.13	-108.43
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCC1	REAL300010875004	0	31	-2.0	-120.91	291.20	4.14	-116.77
CN1C=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=C1Cl	REAL300010875019	1	31	-2.0	-131.79	292.80	3.52	-128.27
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	REAL300010875056	1	35	-2.0	-127.03	313.78	4.29	-122.74
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)C(F)=C1Cl	REAL300010875075	0	38	-2.0	-128.49	354.21	3.60	-124.89
COC(=O)C1=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=C(Br)O1	REAL300010875080	1	34	-2.0	-112.86	334.68	3.34	-109.52
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)O1	REAL300010875094	1	34	-2.0	-119.37	315.65	2.60	-116.77
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCC1	REAL300010875097	0	33	-2.0	-136.93	298.80	5.52	-131.41
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCC1	REAL300010875100	1	31	-2.0	-124.21	294.96	4.89	-119.32
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CCC1	REAL300010875109	0	33	-2.0	-122.09	324.13	6.75	-115.34
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCC1	REAL300010875138	1	33	-2.0	-131.34	309.82	6.05	-125.29
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)C(=O)N(C)C1=O	REAL300010875187	1	37	-2.0	-124.19	325.08	2.78	-121.41
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	REAL300010875201	1	37	-2.0	-139.38	330.25	2.32	-137.06
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCC1	REAL300010875229	1	33	-2.0	-125.57	307.98	5.99	-119.58
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCC1	REAL300010875262	1	34	-2.0	-129.93	305.86	4.21	-125.72
COC(=O)C1=COC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=C1	REAL300010875274	1	34	-2.0	-121.42	315.99	2.55	-118.87
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)O1	REAL300010875308	1	37	-2.0	-119.88	337.51	3.53	-116.35
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CCC1	REAL300010875315	1	34	-2.0	-124.60	311.44	5.88	-118.72
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])CCC1	REAL300010875316	1	33	-2.0	-127.89	320.87	6.01	-121.88
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=CS2)CCC1	REAL300010875319	1	28	-2.0	-117.78	287.63	3.51	-114.27
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CCC1	REAL300010875325	1	30	-2.0	-113.05	304.94	3.26	-109.79
CCN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)C([N+](=O)[O-])=N1	REAL300010875329	1	36	-2.0	-124.65	325.64	4.83	-119.82
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCC1	REAL300010875330	1	33	-2.0	-133.26	303.84	5.47	-127.79
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])CCC1	REAL300010875333	1	33	-2.0	-125.47	312.58	6.10	-119.37
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCC2)C(F)=C1	REAL300010875336	1	39	-2.0	-93.82	344.96	0.82	-93.00
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)CCC1	REAL300010875354	1	28	-2.0	-113.37	302.80	4.21	-109.16
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CC(F)=C2F)CCC1	REAL300010875356	1	31	-2.0	-123.86	287.10	4.07	-119.79
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)C(F)=C1	REAL300010875384	0	32	-2.0	-119.86	305.59	4.47	-115.39
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCC1	REAL300010875399	1	32	-2.0	-127.30	291.14	4.71	-122.59
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1	REAL300010875433	0	36	-2.0	-101.55	334.73	3.19	-98.36
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1	REAL300010875433	1	36	-2.0	-101.47	334.79	3.18	-98.29
CC1=C(Br)SC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=N1	REAL300010875437	0	30	-2.0	-114.77	304.69	2.01	-112.76
CCCCCCN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)C(=O)NC1=O	REAL300010875445	1	49	-2.0	-130.89	414.71	4.53	-126.36
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCC1	REAL300010875446	0	31	-2.0	-109.15	302.57	4.43	-104.72
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCC1	REAL300010875458	1	30	-2.0	-120.42	297.47	3.20	-117.22
O=C([O-])C1(C[N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCC1	REAL300010875462	1	30	-2.0	-110.20	303.95	2.96	-107.24
COC(=O)C1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)SC=N1	REAL300010875500	0	33	-2.0	-126.22	318.68	1.52	-124.70
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CCC1	REAL300010875513	1	28	-2.0	-119.19	280.48	2.53	-116.66
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCC1	REAL300010875523	1	31	-2.0	-125.72	291.38	4.75	-120.97
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCC1	REAL300010875586	1	31	-2.0	-112.57	310.50	5.07	-107.50
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCC1	REAL300010875602	0	31	-2.0	-119.06	296.39	4.36	-114.70
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CCC1	REAL300010875616	1	33	-2.0	-109.99	329.12	5.57	-104.42
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCC1	REAL300010875637	0	33	-2.0	-113.89	328.38	4.99	-108.90
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCC1	REAL300010875639	1	33	-2.0	-108.04	321.46	5.05	-102.99
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCC1	REAL300010875640	1	31	-2.0	-113.59	306.31	5.17	-108.42
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300010875647	1	34	-2.0	-96.85	318.23	0.50	-96.35
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCC1	REAL300010875668	0	31	-2.0	-124.89	297.66	4.81	-120.08
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCC1	REAL300010875676	1	31	-2.0	-121.90	297.56	4.52	-117.38
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=C(F)C=C1Cl	REAL300010875678	1	40	-2.0	-116.22	369.95	5.98	-110.24
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CCC1	REAL300010875679	1	33	-2.0	-119.83	323.64	5.65	-114.18
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	REAL300010875681	0	39	-2.0	-119.91	344.63	5.22	-114.69
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	REAL300010875690	1	37	-2.0	-124.58	348.73	6.69	-117.89
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=C(Br)N1C	REAL300010875704	1	34	-2.0	-131.03	319.12	3.21	-127.82
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCC1	REAL300010875708	0	35	-2.0	-95.71	313.80	3.75	-91.96
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)C=C1Br	REAL300010875710	1	32	-2.0	-111.63	321.28	4.90	-106.73
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)C(C(F)(F)F)=N1	REAL300010875742	1	34	-2.0	-123.21	313.31	2.62	-120.59
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCC1	REAL300010875743	1	33	-2.0	-114.76	318.98	6.15	-108.61
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCC1	REAL300010875756	1	34	-2.0	-122.20	312.28	4.28	-117.92
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCC1	REAL300010875757	1	34	-2.0	-125.96	326.62	6.00	-119.96
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CS2)CCC1	REAL300010875763	1	28	-2.0	-118.81	283.30	3.40	-115.41
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=C1F	REAL300010875802	1	37	-2.0	-129.52	353.66	4.94	-124.58
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2Br)CCC1	REAL300010875833	1	30	-2.0	-130.18	288.63	2.59	-127.59
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=C1F	REAL300010875842	1	37	-2.0	-128.57	343.33	4.50	-124.07
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)O1	REAL300010875854	1	37	-2.0	-120.76	333.54	3.17	-117.59
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CCC1	REAL300010875865	1	30	-2.0	-122.01	300.47	2.44	-119.57
COC(=O)C1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)OC=C1	REAL300010875869	0	34	-2.0	-130.76	307.46	3.40	-127.36
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=N1	REAL300010875873	0	33	-2.0	-136.88	304.43	2.71	-134.17
O=C([O-])C1(C[N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCC1	REAL300010875881	1	31	-2.0	-115.89	291.00	1.47	-114.42
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)NC=N2)CCC1	REAL300010875900	1	28	-2.0	-123.92	274.68	1.95	-121.97
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCC1	REAL300010875902	1	30	-2.0	-113.04	300.37	3.15	-109.89
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCC1	REAL300010875903	1	30	-2.0	-121.71	295.88	2.36	-119.35
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)N=C2F)CCC1	REAL300010875904	1	30	-2.0	-120.64	285.42	1.87	-118.77
O=C([O-])C1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CCC1	REAL300010875909	1	35	-2.0	-150.89	306.48	1.23	-149.66
CCS(=O)(CC)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	REAL300010875912	1	37	-2.0	-153.86	322.90	1.36	-152.50
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)CCC1	REAL300010875920	0	34	-2.0	-128.87	327.26	4.78	-124.09
CN1N=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=C1C(F)(F)F	REAL300010875921	1	34	-2.0	-116.19	308.48	2.59	-113.60
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CCC1	REAL300010875931	0	32	-2.0	-96.98	281.46	2.80	-94.18
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	REAL300010875933	1	34	-2.0	-139.06	308.38	1.39	-137.67
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	REAL300010875937	1	40	-2.0	-154.23	342.05	1.79	-152.44
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=C1F	REAL300010875954	1	35	-2.0	-132.30	325.06	4.05	-128.25
O=C([O-])C1CCN(S(=O)(=O)NCC2(C(=O)[O-])CCC2)CC1	REAL300010875979	0	39	-2.0	-108.96	321.93	3.78	-105.18
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=CO2)CCC1	REAL300010875989	0	28	-2.0	-121.51	277.86	2.49	-119.02
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	REAL300010876001	1	35	-2.0	-120.80	312.02	4.38	-116.42
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=C1	REAL300010876024	0	34	-2.0	-115.76	334.74	3.19	-112.57
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300010876028	0	34	-2.0	-101.66	303.26	4.45	-97.21
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCC1	REAL300010876031	1	34	-2.0	-132.45	307.94	2.98	-129.47
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCC1	REAL300010876034	0	32	-2.0	-97.32	307.64	3.93	-93.39
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CCC1	REAL300010876065	1	28	-2.0	-119.19	280.48	2.53	-116.66
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCC1	REAL300010876092	1	31	-2.0	-117.38	302.36	2.97	-114.41
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)CCC1	REAL300010876110	1	36	-2.0	-124.84	338.09	5.48	-119.36
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CCC1	REAL300010876114	0	32	-2.0	-96.98	281.46	2.80	-94.18
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)CCC1	REAL300010876115	1	37	-2.0	-118.86	352.81	5.23	-113.63
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CCC1	REAL300010876121	0	31	-2.0	-122.43	306.10	4.70	-117.73
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCC1	REAL300010876122	1	33	-2.0	-120.09	318.71	2.95	-117.14
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCC1	REAL300010876125	1	33	-2.0	-120.09	318.71	2.95	-117.14
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	REAL300010876127	1	35	-2.0	-133.34	327.95	4.83	-128.51
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCC1	REAL300010876130	1	31	-2.0	-114.92	302.84	4.55	-110.37
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=C(C2=CC=CC=C2)O1	REAL300010876142	1	40	-2.0	-140.24	352.14	2.79	-137.45
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2(C(=O)[O-])CCC2)=C1	REAL300010876163	1	37	-2.0	-98.59	333.24	1.79	-96.80
CCOC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CCC2)=N[N-]1	REAL300010876163	1	37	-2.0	-98.63	333.35	1.80	-96.83
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)=C1	REAL300010876165	0	34	-2.0	-115.19	330.66	3.09	-112.10
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	REAL300010876168	1	35	-2.0	-119.67	326.23	4.95	-114.72
COC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)C(F)=C1	REAL300010876170	1	35	-2.0	-127.21	316.47	3.35	-123.86
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCC1	REAL300010876175	1	28	-2.0	-111.42	303.59	3.87	-107.55
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	REAL300010876184	1	34	-2.0	-139.06	308.38	1.39	-137.67
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=C(Br)C=N2)CCC1	REAL300010876215	0	29	-2.0	-121.91	288.34	1.77	-120.14
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2Cl)CCC1	REAL300010876218	1	30	-2.0	-130.88	284.96	2.47	-128.41
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CCC2)S1	REAL300010876223	1	40	-2.0	-94.02	355.04	2.18	-91.84
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CCC1	REAL300010876227	0	30	-2.0	-126.67	296.22	2.79	-123.88
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CCC1	REAL300010876252	1	33	-2.0	-126.15	294.71	3.43	-122.72
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)CCC1	REAL300010876258	0	30	-2.0	-115.70	303.36	3.34	-112.36
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	REAL300010876272	1	37	-2.0	-121.14	344.89	6.09	-115.05
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1	REAL300010876274	1	37	-2.0	-140.09	325.44	5.53	-134.56
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=NS2)CCC1	REAL300010876280	0	27	-2.0	-111.98	282.43	2.18	-109.80
O=C([O-])C1(CNS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CCC1	REAL300010876290	0	36	-2.0	-110.05	324.99	4.10	-105.95
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C1CC1	REAL300010876315	1	34	-2.0	-112.83	318.63	4.74	-108.09
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1CC1	REAL300010876320	0	34	-2.0	-130.28	309.01	4.83	-125.45
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC(F)=CC=C1F)C1CC1	REAL300010876346	1	34	-2.0	-103.58	308.76	5.17	-98.41
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C1CC1	REAL300010876348	1	31	-2.0	-96.11	319.69	5.20	-90.91
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C1CC1	REAL300010876354	1	34	-2.0	-113.12	342.22	6.42	-106.70
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C1CC1	REAL300010876360	0	34	-2.0	-96.76	329.32	5.77	-90.99
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C1CC1	REAL300010876362	1	34	-2.0	-96.67	329.35	5.77	-90.90
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C1CC1	REAL300010876363	1	34	-2.0	-95.94	315.05	5.23	-90.71
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C1CC1	REAL300010876375	0	34	-2.0	-118.62	316.79	4.96	-113.66
CN1C=NC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=C1Cl	REAL300010876392	1	34	-2.0	-110.46	314.32	4.62	-105.84
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC(CC(=O)[O-])C1CC1	REAL300010876430	1	38	-2.0	-122.74	338.17	5.02	-117.72
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)O1	REAL300010876466	1	37	-2.0	-99.10	336.40	3.84	-95.26
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1CC1	REAL300010876469	0	36	-2.0	-138.42	324.65	6.30	-132.12
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C1CC1	REAL300010876473	1	34	-2.0	-126.21	320.18	5.50	-120.71
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C1CC1	REAL300010876480	0	36	-2.0	-123.24	348.82	7.33	-115.91
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1CC1	REAL300010876509	1	36	-2.0	-134.93	332.07	6.82	-128.11
CN1C=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)C(=O)N(C)C1=O	REAL300010876562	1	40	-2.0	-127.78	347.10	3.57	-124.21
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(CC(=O)[O-])C1CC1	REAL300010876577	1	40	-2.0	-117.14	349.71	3.63	-113.51
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C1CC1	REAL300010876604	1	36	-2.0	-108.41	332.12	7.15	-101.26
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CC1	REAL300010876644	1	37	-2.0	-122.12	330.29	4.95	-117.17
COC(=O)C1=COC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=C1	REAL300010876656	1	37	-2.0	-119.36	340.40	3.30	-116.06
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)O1	REAL300010876691	1	40	-2.0	-99.29	358.26	4.77	-94.52
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F)C1CC1	REAL300010876698	1	37	-2.0	-124.72	340.06	6.72	-118.00
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Br)C=CS1)C1CC1	REAL300010876700	1	31	-2.0	-118.99	312.83	4.13	-114.86
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl)C1CC1	REAL300010876706	1	33	-2.0	-111.27	330.13	3.88	-107.39
CCN1C=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300010876709	1	39	-2.0	-121.37	350.84	5.44	-115.93
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C1CC1	REAL300010876710	1	36	-2.0	-124.84	333.82	5.96	-118.88
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(CC(=O)[O-])C2CC2)C(F)=C1	REAL300010876715	1	42	-2.0	-106.20	370.54	1.47	-104.73
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=CC(F)=C1F)C1CC1	REAL300010876735	1	34	-2.0	-107.23	308.62	5.17	-102.06
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)C(F)=C1	REAL300010876766	0	35	-2.0	-118.28	329.81	5.22	-113.06
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C1CC1	REAL300010876781	1	35	-2.0	-124.21	317.17	5.39	-118.82
O=C([O-])CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1CC1	REAL300010876812	0	39	-2.0	-96.17	358.25	3.97	-92.20
O=C([O-])CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1CC1	REAL300010876812	1	39	-2.0	-96.12	358.31	3.96	-92.16
CC1=C(Br)SC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=N1	REAL300010876817	0	33	-2.0	-98.64	325.20	3.27	-95.37
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C1CC1	REAL300010876825	0	34	-2.0	-92.62	324.10	5.53	-87.09
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C1CC1	REAL300010876836	1	33	-2.0	-101.35	315.82	4.49	-96.86
O=C([O-])CC(C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C1CC1	REAL300010876839	1	33	-2.0	-109.38	325.95	3.75	-105.63
COC(=O)C1=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)SC=N1	REAL300010876872	0	36	-2.0	-127.26	335.67	2.89	-124.37
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C1CC1	REAL300010876882	1	31	-2.0	-98.78	301.23	3.77	-95.01
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C1CC1	REAL300010876893	1	34	-2.0	-126.98	316.60	5.36	-121.62
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C1CC1	REAL300010876947	1	34	-2.0	-110.83	335.68	5.69	-105.14
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C1CC1	REAL300010876962	0	34	-2.0	-117.95	321.58	4.96	-112.99
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C1CC1	REAL300010876977	1	36	-2.0	-109.94	354.31	6.18	-103.76
CC1=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)C(N)=NO1	REAL300010876996	1	35	-2.0	-109.08	308.04	1.92	-107.16
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C1CC1	REAL300010876999	0	36	-2.0	-95.59	346.74	6.28	-89.31
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C1CC1	REAL300010877001	1	36	-2.0	-106.69	346.68	5.66	-101.03
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C1CC1	REAL300010877002	1	34	-2.0	-111.99	331.89	5.99	-106.00
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300010877009	1	37	-2.0	-91.60	341.74	1.27	-90.33
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C1CC1	REAL300010877033	0	34	-2.0	-105.18	319.20	5.91	-99.27
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C1CC1	REAL300010877039	1	34	-2.0	-103.65	319.08	5.62	-98.03
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C1CC1	REAL300010877042	1	36	-2.0	-100.68	344.39	6.89	-93.79
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(CC(=O)[O-])C1CC1	REAL300010877045	0	42	-2.0	-119.31	368.60	6.06	-113.25
CC1=NC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=C(Br)N1C	REAL300010877069	1	37	-2.0	-130.83	341.14	4.01	-126.82
O=C([O-])CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C1CC1	REAL300010877073	0	38	-2.0	-88.43	337.64	4.53	-83.90
CN1C=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300010877106	1	37	-2.0	-117.05	340.47	3.46	-113.59
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C1CC1	REAL300010877107	1	36	-2.0	-112.39	345.92	6.80	-105.59
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(F)C=CS1)C1CC1	REAL300010877109	1	31	-2.0	-123.01	298.80	3.62	-119.39
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC1	REAL300010877123	1	37	-2.0	-116.11	336.70	5.02	-111.09
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C1CC1	REAL300010877124	1	37	-2.0	-123.55	351.82	6.61	-116.94
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Cl)C=CS1)C1CC1	REAL300010877131	1	31	-2.0	-120.16	308.50	4.02	-116.14
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=C1F	REAL300010877169	1	40	-2.0	-106.36	372.00	6.22	-100.14
O=C([O-])CC(C[N-]S(=O)(=O)C1=NC=CC=C1Br)C1CC1	REAL300010877199	1	33	-2.0	-107.22	308.11	3.96	-103.26
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=C1F	REAL300010877209	1	40	-2.0	-105.83	361.68	5.78	-100.05
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)O1	REAL300010877219	1	40	-2.0	-113.56	357.96	3.93	-109.63
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C1CC1	REAL300010877229	1	33	-2.0	-113.49	322.49	3.23	-110.26
COC(=O)C1=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)OC=C1	REAL300010877233	0	37	-2.0	-112.23	333.12	4.07	-108.16
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=N1	REAL300010877236	0	36	-2.0	-114.11	323.94	4.04	-110.07
CC1=NSC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=C1	REAL300010877241	1	33	-2.0	-97.74	305.34	3.34	-94.40
O=C([O-])CC(C[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C1CC1	REAL300010877244	1	34	-2.0	-113.89	316.18	2.08	-111.81
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Br)NC=N1)C1CC1	REAL300010877264	1	31	-2.0	-125.88	299.88	2.56	-123.32
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C1CC1	REAL300010877266	1	33	-2.0	-111.41	325.56	3.77	-107.64
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C1CC1	REAL300010877267	1	33	-2.0	-113.19	317.90	3.16	-110.03
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=C(F)N=C1F)C1CC1	REAL300010877268	1	33	-2.0	-112.08	307.44	2.67	-109.41
O=C([O-])CC(C[N-]S(=O)(=O)N=S1(=O)CCCC1)C1CC1	REAL300010877273	1	38	-2.0	-130.22	328.00	2.32	-127.90
CCS(=O)(CC)=NS(=O)(=O)[N-]CC(CC(=O)[O-])C1CC1	REAL300010877277	1	40	-2.0	-150.53	344.92	2.14	-148.39
CN1N=CC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=C1C(F)(F)F	REAL300010877287	1	37	-2.0	-114.64	333.65	3.19	-111.45
O=C([O-])CC(CNS(=O)(=O)C1=CC(F)=CC=C1[O-])C1CC1	REAL300010877298	0	35	-2.0	-89.67	304.99	3.58	-86.09
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(CC(=O)[O-])C1CC1	REAL300010877300	1	37	-2.0	-116.84	327.84	2.71	-114.13
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC(CC(=O)[O-])C1CC1	REAL300010877303	1	43	-2.0	-150.14	364.07	2.58	-147.56
O=C([O-])CC(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1CC1	REAL300010877343	0	42	-2.0	-100.71	342.23	4.88	-95.83
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Br)C=CO1)C1CC1	REAL300010877353	0	31	-2.0	-101.40	297.52	3.77	-97.63
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC(CC(=O)[O-])C1CC1	REAL300010877363	1	38	-2.0	-105.47	336.84	5.72	-99.75
CC1=CSC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=N1	REAL300010877375	1	33	-2.0	-123.18	309.01	2.09	-121.09
O=C([O-])CC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C1CC1	REAL300010877393	0	37	-2.0	-97.19	326.79	5.24	-91.95
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C1CC1	REAL300010877395	1	37	-2.0	-110.68	326.28	4.28	-106.40
O=C([O-])CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CC1	REAL300010877398	0	35	-2.0	-87.38	331.34	4.58	-82.80
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C1CC1	REAL300010877432	1	31	-2.0	-98.78	301.23	3.77	-95.01
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C1CC1	REAL300010877461	1	34	-2.0	-97.40	320.71	4.26	-93.14
O=C([O-])CC(CNS(=O)(=O)C1=CC(F)=CC=C1[O-])C1CC1	REAL300010877482	0	35	-2.0	-89.67	304.99	3.58	-86.09
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C1CC1	REAL300010877487	0	34	-2.0	-119.74	331.69	5.52	-114.22
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C1CC1	REAL300010877488	1	36	-2.0	-111.36	341.53	3.83	-107.53
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=C(Cl)O1)C1CC1	REAL300010877490	1	31	-2.0	-98.37	296.60	3.65	-94.72
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C1CC1	REAL300010877492	1	36	-2.0	-111.36	341.53	3.83	-107.53
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C1CC1	REAL300010877496	1	34	-2.0	-113.00	328.08	5.16	-107.84
CC1=NC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300010877509	1	43	-2.0	-126.04	376.07	3.81	-122.23
CCN1N=CC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=N1	REAL300010877526	1	36	-2.0	-102.42	317.56	1.91	-100.51
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300010877535	1	40	-2.0	-102.11	358.72	2.56	-99.55
CCOC(=O)C1=CC(S(=O)(=O)NCC(CC(=O)[O-])C2CC2)=N[N-]1	REAL300010877535	1	40	-2.0	-101.91	358.82	2.57	-99.34
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)=C1	REAL300010877537	0	37	-2.0	-108.86	355.08	3.83	-105.03
COC1=CC(F)=C(S(=O)(=O)[N-]CC(CC(=O)[O-])C2CC2)C(F)=C1	REAL300010877541	1	38	-2.0	-125.43	338.50	4.13	-121.30
O=C([O-])CC(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C1CC1	REAL300010877546	1	31	-2.0	-109.23	325.60	4.66	-104.57
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(CC(=O)[O-])C1CC1	REAL300010877555	1	37	-2.0	-116.84	327.84	2.71	-114.13
O=C([O-])CC(C[N-]S(=O)(=O)C1=NC=C(Br)C=N1)C1CC1	REAL300010877586	0	32	-2.0	-102.79	309.86	2.87	-99.92
O=C([O-])CC(C[N-]S(=O)(=O)C1=NC=CC=C1Cl)C1CC1	REAL300010877589	1	33	-2.0	-108.06	304.52	3.82	-104.24
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC(CC(=O)[O-])C2CC2)S1	REAL300010877594	1	43	-2.0	-91.80	378.72	2.83	-88.97
O=C([O-])CC(C[N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C1CC1	REAL300010877598	0	33	-2.0	-124.86	321.42	3.40	-121.46
O=C([O-])CC(C[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C1CC1	REAL300010877624	1	36	-2.0	-127.47	323.55	4.15	-123.32
O=C([O-])CC(C[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C1CC1	REAL300010877630	0	33	-2.0	-100.35	324.89	4.45	-95.90
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC(CC(=O)[O-])C1CC1	REAL300010877645	1	40	-2.0	-103.74	366.41	7.18	-96.56
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC(CC(=O)[O-])C1CC1	REAL300010877647	1	40	-2.0	-137.24	354.75	6.19	-131.05
O=C([O-])CC(C[N-]S(=O)(=O)C1=C(Br)C=NS1)C1CC1	REAL300010877653	0	30	-2.0	-93.96	300.78	3.47	-90.49
CC1=CC=C([O-])C(S(=O)(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300010877668	1	38	-2.0	-96.02	320.00	4.19	-91.83
O=C([O-])CC(CNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C1CC1	REAL300010877669	0	39	-2.0	-103.14	350.48	4.86	-98.28
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)CC1	REAL300010878094	1	42	-2.0	-99.84	357.75	1.98	-97.86
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300010878191	0	39	-2.0	-101.21	344.83	4.31	-96.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300010878191	1	39	-2.0	-101.22	344.89	4.31	-96.91
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300010878388	1	37	-2.0	-102.42	328.33	1.64	-100.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010878452	0	38	-2.0	-99.00	325.70	4.89	-94.11
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010878677	0	35	-2.0	-100.22	293.31	3.95	-96.27
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010878722	0	42	-2.0	-97.95	332.00	4.93	-93.02
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CC1	REAL300010878772	0	37	-2.0	-100.94	315.89	5.73	-95.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010878777	0	35	-2.0	-98.49	319.80	4.95	-93.54
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010878861	0	35	-2.0	-100.22	293.31	3.95	-96.27
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300010878914	1	40	-2.0	-91.77	342.74	2.94	-88.83
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)=N[N-]1	REAL300010878914	1	40	-2.0	-91.69	342.84	2.93	-88.76
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)S1	REAL300010878973	1	43	-2.0	-101.52	364.34	2.95	-98.57
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300010879047	1	38	-2.0	-107.79	308.37	4.55	-103.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010879048	0	39	-2.0	-97.68	334.52	5.19	-92.49
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010879468	1	44	-2.0	-101.26	363.87	3.65	-97.61
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010879564	0	41	-2.0	-103.98	352.66	4.83	-99.15
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010879564	1	41	-2.0	-103.94	352.72	4.82	-99.12
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C)S1	REAL300010879762	1	39	-2.0	-104.76	342.23	2.82	-101.94
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010879827	0	40	-2.0	-107.53	335.73	5.47	-102.06
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010880052	0	37	-2.0	-105.22	307.82	5.16	-100.06
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010880096	0	44	-2.0	-97.51	345.21	6.16	-91.35
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010880146	0	39	-2.0	-101.09	325.18	6.26	-94.83
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010880151	0	37	-2.0	-97.61	325.13	6.37	-91.24
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010880237	0	37	-2.0	-105.22	307.82	5.16	-100.06
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C)=C1	REAL300010880289	1	42	-2.0	-110.38	354.96	4.28	-106.10
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C)=N[N-]1	REAL300010880289	1	42	-2.0	-110.43	355.10	4.30	-106.13
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C)S1	REAL300010880352	1	45	-2.0	-106.32	376.96	4.34	-101.98
CC1=CC=C([O-])C(S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C)=C1	REAL300010880430	1	40	-2.0	-117.44	318.41	5.14	-112.30
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010880431	0	41	-2.0	-115.43	338.04	5.75	-109.68
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])S1	REAL300010880987	1	38	-2.0	-110.89	350.55	3.60	-107.29
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=NC=C[N-]1	REAL300010881154	0	32	-2.0	-118.36	286.88	3.33	-115.03
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010881202	0	36	-2.0	-125.84	314.77	6.10	-119.74
O=C([O-])C1CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300010881237	0	43	-2.0	-124.40	354.11	6.85	-117.55
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300010881277	0	38	-2.0	-104.61	337.04	7.67	-96.94
O=C([O-])C1C2=CC=CC=C2CCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010881351	0	36	-2.0	-125.84	314.77	6.10	-119.74
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300010881395	1	41	-2.0	-118.25	365.49	4.91	-113.34
CCOC(=O)C1=CC(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=N[N-]1	REAL300010881395	1	41	-2.0	-118.18	365.59	4.91	-113.27
CC1=CC=C([O-])C(S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300010881512	1	39	-2.0	-137.04	329.76	6.69	-130.35
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)CC(=O)[O-]	REAL300010881534	1	39	-2.0	-105.14	345.77	5.32	-99.82
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)CC(=O)[O-]	REAL300010881537	0	39	-2.0	-117.87	336.16	5.42	-112.45
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC(F)=CC=C1F)CC(=O)[O-]	REAL300010881561	1	39	-2.0	-122.61	333.96	5.07	-117.54
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)CC(=O)[O-]	REAL300010881563	1	36	-2.0	-114.04	344.92	5.11	-108.93
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)CC(=O)[O-]	REAL300010881575	1	39	-2.0	-113.02	340.33	5.14	-107.88
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)CC(=O)[O-]	REAL300010881587	0	39	-2.0	-107.46	341.93	5.46	-102.00
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)CC(=O)[O-]	REAL300010881606	1	39	-2.0	-131.73	339.52	4.52	-127.21
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C	REAL300010881641	1	43	-2.0	-123.84	359.79	5.44	-118.40
COC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)O1	REAL300010881677	1	42	-2.0	-113.87	361.59	3.74	-110.13
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])CC(=O)[O-]	REAL300010881680	0	41	-2.0	-140.59	344.27	6.79	-133.80
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)CC(=O)[O-]	REAL300010881684	1	39	-2.0	-128.25	341.70	5.88	-122.37
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])CC(=O)[O-]	REAL300010881718	1	41	-2.0	-136.90	351.79	7.33	-129.57
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)CC(=O)[O-]	REAL300010881766	1	45	-2.0	-130.74	368.63	3.95	-126.79
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C	REAL300010881782	1	45	-2.0	-138.92	374.92	3.54	-135.38
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])CC(=O)[O-]	REAL300010881809	1	41	-2.0	-125.61	357.37	7.05	-118.56
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)CC(=O)[O-]	REAL300010881849	1	42	-2.0	-113.33	357.44	5.53	-107.80
COC(=O)C1=COC(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300010881860	1	42	-2.0	-121.21	361.93	3.69	-117.52
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)O1	REAL300010881895	1	45	-2.0	-114.07	383.46	4.67	-109.40
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(Br)C=CS1)CC(=O)[O-]	REAL300010881902	1	36	-2.0	-120.21	334.36	4.51	-115.70
CCN1C=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)C([N+](=O)[O-])=N1	REAL300010881910	1	44	-2.0	-122.69	372.45	5.85	-116.84
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])CC(=O)[O-]	REAL300010881911	1	41	-2.0	-126.29	355.38	6.34	-119.95
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=CC(F)=C1F)CC(=O)[O-]	REAL300010881933	1	39	-2.0	-122.90	333.91	5.08	-117.82
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)CC(=O)[O-]	REAL300010881957	0	40	-2.0	-119.52	351.35	5.62	-113.90
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])CC(=O)[O-]	REAL300010881972	1	40	-2.0	-126.33	337.34	5.74	-120.59
CC1=C(Br)SC(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300010882008	0	38	-2.0	-118.35	350.39	3.17	-115.18
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)CC(=O)[O-]	REAL300010882016	0	39	-2.0	-109.64	349.29	5.42	-104.22
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)CC(=O)[O-]	REAL300010882025	1	38	-2.0	-117.98	341.01	4.38	-113.60
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)CC(=O)[O-]	REAL300010882026	1	38	-2.0	-99.69	353.10	4.33	-95.36
COC(=O)C1=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)SC=N1	REAL300010882061	0	41	-2.0	-112.82	362.82	3.47	-109.35
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=C(Br)O1)CC(=O)[O-]	REAL300010882070	1	36	-2.0	-114.02	326.52	3.68	-110.34
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)CC(=O)[O-]	REAL300010882080	1	39	-2.0	-128.85	338.21	5.76	-123.09
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)CC(=O)[O-]	REAL300010882137	1	39	-2.0	-102.57	362.83	6.26	-96.31
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)CC(=O)[O-]	REAL300010882150	0	39	-2.0	-119.56	343.21	5.37	-114.19
CC1=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)C(N)=NO1	REAL300010882178	1	40	-2.0	-109.96	329.58	2.31	-107.65
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)CC(=O)[O-]	REAL300010882179	0	41	-2.0	-113.56	371.94	6.18	-107.38
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)CC(=O)[O-]	REAL300010882181	1	41	-2.0	-97.72	373.83	6.24	-91.48
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)CC(=O)[O-]	REAL300010882182	1	39	-2.0	-102.03	357.03	6.48	-95.55
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300010882188	1	42	-2.0	-98.79	365.43	1.67	-97.12
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)CC(=O)[O-]	REAL300010882210	0	39	-2.0	-110.34	350.01	6.00	-104.34
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)CC(=O)[O-]	REAL300010882215	1	39	-2.0	-109.62	349.90	5.71	-103.91
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C	REAL300010882221	0	47	-2.0	-121.60	390.28	6.46	-115.14
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=C(C#N)O1)CC(=O)[O-]	REAL300010882235	1	37	-2.0	-110.36	325.97	3.49	-106.87
CC1=NC(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)=C(Br)N1C	REAL300010882241	1	42	-2.0	-131.42	363.75	4.34	-127.08
CC(C)C[C@H](CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])CC(=O)[O-]	REAL300010882245	0	43	-2.0	-90.29	366.50	5.13	-85.16
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)CC(=O)[O-]	REAL300010882271	1	42	-2.0	-109.92	367.66	4.03	-105.89
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])CC(=O)[O-]	REAL300010882272	1	41	-2.0	-115.28	363.34	7.06	-108.22
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(F)C=CS1)CC(=O)[O-]	REAL300010882274	1	36	-2.0	-124.20	320.41	4.01	-120.19
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)CC(=O)[O-]	REAL300010882289	1	42	-2.0	-117.69	358.23	5.42	-112.27
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)CC(=O)[O-]	REAL300010882290	1	42	-2.0	-125.97	374.56	6.95	-119.02
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(Cl)C=CS1)CC(=O)[O-]	REAL300010882296	1	36	-2.0	-121.37	330.03	4.40	-116.97
CC(C)C[C@H](C[N-]S(=O)(=O)C1=NC=CC=C1Br)CC(=O)[O-]	REAL300010882357	1	38	-2.0	-125.20	333.33	3.84	-121.36
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)=C1F	REAL300010882365	1	45	-2.0	-121.37	386.96	5.69	-115.68
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)O1	REAL300010882375	1	45	-2.0	-105.59	385.10	4.51	-101.08
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)CC(=O)[O-]	REAL300010882382	1	38	-2.0	-114.62	344.04	3.61	-111.01
COC(=O)C1=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)OC=C1	REAL300010882386	0	42	-2.0	-131.42	354.18	4.40	-127.02
CC(C)C[C@H](C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])CC(=O)[O-]	REAL300010882388	0	41	-2.0	-133.86	349.14	3.94	-129.92
CC1=NSC(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300010882393	1	38	-2.0	-103.14	336.16	3.42	-99.72
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)CC(=O)[O-]	REAL300010882396	1	39	-2.0	-114.79	337.81	2.48	-112.31
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(Br)NC=N1)CC(=O)[O-]	REAL300010882416	1	36	-2.0	-127.79	321.41	2.95	-124.84
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)CC(=O)[O-]	REAL300010882418	1	38	-2.0	-112.93	347.09	4.16	-108.77
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)CC(=O)[O-]	REAL300010882419	1	38	-2.0	-105.68	345.07	3.72	-101.96
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=C(F)N=C1F)CC(=O)[O-]	REAL300010882420	1	38	-2.0	-104.85	334.61	3.23	-101.62
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)CC(=O)[O-]	REAL300010882440	1	42	-2.0	-116.18	355.19	3.58	-112.60
CC(C)C[C@H](CNS(=O)(=O)C1=CC(F)=CC=C1[O-])CC(=O)[O-]	REAL300010882450	0	40	-2.0	-110.73	328.81	3.96	-106.77
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C	REAL300010882452	1	42	-2.0	-136.58	353.04	2.60	-133.98
CC(C)C[C@H](C[N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)CC(=O)[O-]	REAL300010882455	1	48	-2.0	-152.63	385.68	2.98	-149.65
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=NS1)CC(=O)[O-]	REAL300010882466	1	35	-2.0	-112.66	308.79	2.65	-110.01
CC(C)C[C@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)CC(=O)[O-]	REAL300010882488	0	47	-2.0	-98.05	374.81	5.15	-92.90
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(Br)C=CO1)CC(=O)[O-]	REAL300010882496	0	36	-2.0	-118.49	322.71	3.67	-114.82
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C	REAL300010882506	1	43	-2.0	-111.49	367.65	5.81	-105.68
CC1=CSC(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300010882516	1	38	-2.0	-122.11	330.44	2.53	-119.58
CC(C)C[C@H](C[N-]S(=O)(=O)C1=NN=NN1C)CC(=O)[O-]	REAL300010882520	1	37	-2.0	-110.55	310.37	1.05	-109.50
CC(C)C[C@H](CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)CC(=O)[O-]	REAL300010882534	0	42	-2.0	-101.43	350.68	5.64	-95.79
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)CC(=O)[O-]	REAL300010882536	1	42	-2.0	-116.85	357.10	4.36	-112.49
CC(C)C[C@H](CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC(=O)[O-]	REAL300010882539	0	40	-2.0	-108.06	355.07	4.97	-103.09
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=C(Br)O1)CC(=O)[O-]	REAL300010882569	1	36	-2.0	-114.02	326.52	3.68	-110.34
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)CC(=O)[O-]	REAL300010882597	1	39	-2.0	-111.82	345.90	4.16	-107.66
CC(C)C[C@H](CNS(=O)(=O)C1=CC(F)=CC=C1[O-])CC(=O)[O-]	REAL300010882620	0	40	-2.0	-110.73	328.81	3.96	-106.77
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)CC(=O)[O-]	REAL300010882624	1	41	-2.0	-112.42	363.06	4.22	-108.20
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=C(Cl)O1)CC(=O)[O-]	REAL300010882625	1	36	-2.0	-113.46	321.88	3.57	-109.89
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)CC(=O)[O-]	REAL300010882627	1	41	-2.0	-112.42	363.06	4.22	-108.20
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)CC(=O)[O-]	REAL300010882631	1	39	-2.0	-104.77	355.23	5.74	-99.03
CC1=NC(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)=C(C2=CC=CC=C2)O1	REAL300010882643	1	48	-2.0	-118.75	400.39	4.32	-114.43
CCN1N=CC(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)=N1	REAL300010882659	1	41	-2.0	-109.17	348.38	1.99	-107.18
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300010882669	1	45	-2.0	-103.22	380.56	2.95	-100.27
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H](CC(=O)[O-])CC(C)C)=N[N-]1	REAL300010882669	1	45	-2.0	-103.08	380.67	2.96	-100.12
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300010882671	0	42	-2.0	-101.15	382.23	4.41	-96.74
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)C(F)=C1	REAL300010882675	1	43	-2.0	-127.13	360.13	4.54	-122.59
CC(C)C[C@H](C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)CC(=O)[O-]	REAL300010882679	1	36	-2.0	-110.58	347.20	5.06	-105.52
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(C#N)C=CO1)CC(=O)[O-]	REAL300010882687	1	37	-2.0	-110.30	329.50	3.60	-106.70
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C	REAL300010882688	1	42	-2.0	-136.58	353.04	2.60	-133.98
CC(C)C[C@H](C[N-]S(=O)(=O)C1=NC=C(Br)C=N1)CC(=O)[O-]	REAL300010882717	0	37	-2.0	-109.21	341.01	2.83	-106.38
CC(C)C[C@H](C[N-]S(=O)(=O)C1=NC=CC=C1Cl)CC(=O)[O-]	REAL300010882720	1	38	-2.0	-126.74	329.74	3.71	-123.03
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC[C@H](CC(=O)[O-])CC(C)C)S1	REAL300010882725	1	48	-2.0	-91.01	407.86	3.41	-87.60
CC(C)C[C@H](C[N-]S(=O)(=O)C1=NC=CC(Br)=C1F)CC(=O)[O-]	REAL300010882728	0	38	-2.0	-126.79	343.03	3.80	-122.99
CC(C)C[C@H](C[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)CC(=O)[O-]	REAL300010882758	1	41	-2.0	-129.38	345.09	4.55	-124.83
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C	REAL300010882778	1	45	-2.0	-139.82	375.20	6.53	-133.29
CC(C)C[C@H](C[N-]S(=O)(=O)C1=C(Br)C=NS1)CC(=O)[O-]	REAL300010882783	0	35	-2.0	-111.00	327.12	3.31	-107.69
CC1=CC=C([O-])C(S(=O)(=O)NC[C@H](CC(=O)[O-])CC(C)C)=C1	REAL300010882803	1	43	-2.0	-119.57	343.72	4.58	-114.99
CC(C)C[C@H](CNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)CC(=O)[O-]	REAL300010882804	0	44	-2.0	-98.47	377.70	5.44	-93.03
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010882830	1	31	-2.0	-142.58	294.56	4.91	-137.67
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010882883	1	31	-2.0	-130.30	300.95	4.98	-125.32
CN1C=NC(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])=C1Cl	REAL300010882900	1	31	-2.0	-137.05	303.55	4.19	-132.86
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1=CC=CC=C1C(=O)[O-]	REAL300010882936	1	35	-2.0	-137.01	323.71	5.11	-131.90
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])O1	REAL300010882971	1	34	-2.0	-128.04	325.62	3.41	-124.63
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010882974	0	33	-2.0	-145.89	308.75	6.34	-139.55
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010883012	0	33	-2.0	-138.18	320.70	6.89	-131.29
CN1C=C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])C(=O)N(C)C1=O	REAL300010883060	1	37	-2.0	-128.46	332.63	3.65	-124.81
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=CC=C1C(=O)[O-]	REAL300010883076	1	37	-2.0	-147.44	338.95	3.21	-144.23
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010883104	1	33	-2.0	-134.12	321.35	6.74	-127.38
COC(=O)C1=COC(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300010883156	1	34	-2.0	-129.33	325.94	3.37	-125.96
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])O1	REAL300010883191	1	37	-2.0	-128.67	347.48	4.34	-124.33
CCN1C=C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010883208	1	36	-2.0	-139.10	332.74	5.61	-133.49
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010883209	1	33	-2.0	-144.47	318.29	6.10	-138.37
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010883250	1	39	-2.0	-137.25	349.05	5.39	-131.86
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300010883259	0	32	-2.0	-128.97	315.33	5.31	-123.66
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010883274	0	32	-2.0	-134.37	301.82	5.41	-128.96
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010883306	0	36	-2.0	-109.12	346.42	4.08	-105.04
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010883306	1	36	-2.0	-109.07	346.48	4.07	-105.00
CC1=C(Br)SC(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])=N1	REAL300010883311	0	30	-2.0	-124.73	314.42	2.84	-121.89
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010883319	0	31	-2.0	-118.86	313.29	5.11	-113.75
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010883329	1	30	-2.0	-127.46	305.04	4.07	-123.39
COC(=O)C1=C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])SC=N1	REAL300010883365	0	33	-2.0	-134.16	321.21	2.96	-131.20
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010883395	1	30	-2.0	-125.44	307.21	4.39	-121.05
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010883455	0	31	-2.0	-129.61	307.13	5.04	-124.57
CC1=C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])C(N)=NO1	REAL300010883485	1	32	-2.0	-120.59	293.61	2.00	-118.59
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010883487	1	33	-2.0	-122.12	335.97	5.85	-116.27
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010883489	1	33	-2.0	-118.48	332.21	5.74	-112.74
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])S1	REAL300010883496	1	34	-2.0	-109.02	329.94	1.37	-107.65
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010883520	1	31	-2.0	-136.50	308.41	5.49	-131.01
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1=CC=CC=C1C(=O)[O-]	REAL300010883530	0	39	-2.0	-128.87	354.30	6.15	-122.72
N#CC1=CC=C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])O1	REAL300010883548	1	29	-2.0	-125.52	290.00	3.16	-122.36
CC1=NC(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])=C(Br)N1C	REAL300010883555	1	34	-2.0	-137.14	326.69	4.07	-133.07
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010883559	0	35	-2.0	-107.05	325.50	4.61	-102.44
CN1C=C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010883590	1	34	-2.0	-131.83	325.97	3.53	-128.30
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010883591	1	33	-2.0	-123.43	327.16	6.80	-116.63
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])=C1F	REAL300010883688	1	37	-2.0	-138.16	350.90	5.35	-132.81
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])O1	REAL300010883698	1	37	-2.0	-129.55	343.49	3.99	-125.56
COC(=O)C1=C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])OC=C1	REAL300010883710	0	34	-2.0	-142.34	322.32	3.65	-138.69
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])=N1	REAL300010883712	0	33	-2.0	-145.82	313.15	3.62	-142.20
CC1=NSC(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])=C1	REAL300010883717	1	30	-2.0	-125.79	294.57	2.91	-122.88
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300010883748	1	35	-2.0	-167.08	317.20	1.92	-165.16
CCS(=O)(CC)=NS(=O)(=O)[N-]CC1=CC=CC=C1C(=O)[O-]	REAL300010883753	1	37	-2.0	-165.89	330.46	2.23	-163.66
CN1N=CC(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])=C1C(F)(F)F	REAL300010883763	1	34	-2.0	-123.15	318.79	3.25	-119.90
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010883773	0	32	-2.0	-108.58	293.20	3.67	-104.91
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=CC=C1C(=O)[O-]	REAL300010883775	1	34	-2.0	-146.33	317.04	2.30	-144.03
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC1=CC=CC=C1C(=O)[O-]	REAL300010883778	1	40	-2.0	-158.06	349.61	2.66	-155.40
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010883813	0	39	-2.0	-122.40	330.01	4.57	-117.83
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1=CC=CC=C1C(=O)[O-]	REAL300010883833	1	35	-2.0	-129.70	323.36	5.24	-124.46
CC1=CSC(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])=N1	REAL300010883843	1	30	-2.0	-131.43	294.35	2.20	-129.23
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC2=CC=CC=C2C(=O)[O-])=C1	REAL300010883861	0	34	-2.0	-108.44	314.99	5.32	-103.12
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010883866	0	32	-2.0	-105.30	319.54	4.66	-100.64
O=C([O-])C1=CC=CC=C1C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010883885	1	35	-2.0	-117.25	342.50	5.97	-111.28
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010883952	0	32	-2.0	-108.58	293.20	3.67	-104.91
CC1=NC(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010883978	1	40	-2.0	-146.04	360.38	3.83	-142.21
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=CC=C2C(=O)[O-])=N1	REAL300010883994	1	33	-2.0	-131.18	306.76	1.49	-129.69
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010885191	0	34	-2.0	-117.04	297.78	5.36	-111.68
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010885306	1	37	-2.0	-116.42	323.37	2.59	-113.83
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=N[N-]1	REAL300010885306	1	37	-2.0	-116.48	323.47	2.59	-113.89
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010885347	1	40	-2.0	-104.48	346.79	3.29	-101.19
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)C1	REAL300010886053	1	38	-2.0	-99.22	352.64	0.11	-99.11
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010886110	0	39	-2.0	-98.31	350.46	3.36	-94.95
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010886315	0	36	-2.0	-92.86	318.99	2.46	-90.40
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010886353	0	43	-2.0	-101.76	357.41	3.46	-98.30
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300010886399	0	38	-2.0	-100.92	340.86	4.26	-96.66
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010886404	0	36	-2.0	-109.97	344.95	3.89	-106.08
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010886485	0	36	-2.0	-92.86	318.99	2.46	-90.40
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(COC)(C(=O)[O-])C2)=C1	REAL300010886534	1	41	-2.0	-116.35	367.28	1.85	-114.50
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(COC)(C(=O)[O-])C2)=N[N-]1	REAL300010886534	1	41	-2.0	-116.33	367.39	1.86	-114.47
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(COC)(C(=O)[O-])C2)S1	REAL300010886590	1	44	-2.0	-94.54	387.37	1.44	-93.10
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C)=CC=C2[O-])C1	REAL300010886668	1	39	-2.0	-106.79	333.14	3.02	-103.77
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010886669	0	40	-2.0	-113.81	358.36	4.21	-109.60
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C1	REAL300010886690	1	28	-2.0	-103.39	278.33	3.33	-100.06
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C1	REAL300010886716	1	25	-2.0	-101.61	283.43	3.30	-98.31
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300010886721	1	28	-2.0	-102.94	300.96	4.96	-97.98
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300010886725	0	28	-2.0	-102.19	292.75	3.87	-98.32
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300010886727	1	28	-2.0	-102.01	292.72	3.87	-98.14
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300010886728	1	28	-2.0	-101.33	278.44	3.33	-98.00
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300010886737	0	28	-2.0	-107.47	275.53	3.50	-103.97
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010886782	1	32	-2.0	-112.65	297.89	3.62	-109.03
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1Cl	REAL300010886795	0	35	-2.0	-114.34	338.40	2.96	-111.38
COC(=O)C1=CC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C(Br)O1	REAL300010886800	1	31	-2.0	-101.64	319.59	2.55	-99.09
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300010886814	1	31	-2.0	-103.45	299.81	1.95	-101.50
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300010886816	0	30	-2.0	-125.85	286.19	4.86	-120.99
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300010886819	1	28	-2.0	-113.11	280.21	4.10	-109.01
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010886828	0	30	-2.0	-108.77	307.03	5.89	-102.88
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300010886858	1	30	-2.0	-118.50	294.03	5.38	-113.12
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C(=O)N(C)C1=O	REAL300010886910	1	34	-2.0	-117.27	308.11	2.02	-115.25
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010886922	1	34	-2.0	-124.10	313.09	1.74	-122.36
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C1	REAL300010886949	1	30	-2.0	-113.10	295.49	5.22	-107.88
COC(=O)C1=COC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010886982	1	31	-2.0	-107.99	300.49	1.89	-106.10
CN1C=NC(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)=C1Cl	REAL300010888004	1	36	-2.0	-109.94	322.44	1.78	-108.16
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1CCN(CC(=O)[O-])CC1	REAL300010888040	1	40	-2.0	-103.94	341.62	2.73	-101.21
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)O1	REAL300010888076	1	39	-2.0	-101.98	343.05	1.01	-100.97
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC1	REAL300010888079	0	38	-2.0	-114.95	329.86	3.96	-110.99
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CC1	REAL300010888083	1	36	-2.0	-109.84	323.14	3.16	-106.68
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CC1	REAL300010888117	1	38	-2.0	-111.26	337.73	4.48	-106.78
CN1C=C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)C(=O)N(C)C1=O	REAL300010888165	1	42	-2.0	-105.54	350.54	1.29	-104.25
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CC1	REAL300010888208	1	38	-2.0	-105.25	339.24	4.35	-100.90
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CC1	REAL300010888248	1	39	-2.0	-105.01	333.73	2.65	-102.36
COC(=O)C1=COC(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)=C1	REAL300010888260	1	39	-2.0	-100.84	343.84	1.01	-99.83
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)O1	REAL300010888295	1	42	-2.0	-96.89	365.36	1.99	-94.90
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(Br)C=CS2)CC1	REAL300010888302	1	33	-2.0	-99.64	316.26	1.84	-97.80
CCN1C=C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300010888310	1	41	-2.0	-107.42	354.28	3.12	-104.30
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CC1	REAL300010888311	1	38	-2.0	-110.13	337.37	3.63	-106.50
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)CC1	REAL300010888333	1	36	-2.0	-104.78	315.75	2.40	-102.38
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)C(F)=C1	REAL300010888358	0	37	-2.0	-98.95	333.27	2.93	-96.02
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CC1	REAL300010888373	1	37	-2.0	-109.32	319.45	2.89	-106.43
CC1=C(Br)SC(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)=N1	REAL300010888409	0	35	-2.0	-101.24	331.85	0.44	-100.80
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CC1	REAL300010888417	0	36	-2.0	-90.69	331.20	2.74	-87.95
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CC1	REAL300010888426	1	35	-2.0	-99.29	322.95	1.70	-97.59
COC(=O)C1=C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)SC=N1	REAL300010888462	0	38	-2.0	-105.57	344.11	0.02	-105.55
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010888471	1	33	-2.0	-96.35	308.34	0.99	-95.36
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CC1	REAL300010888481	1	36	-2.0	-110.78	319.56	3.02	-107.76
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CC1	REAL300010888537	1	36	-2.0	-95.05	339.13	3.39	-91.66
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CC1	REAL300010888550	0	36	-2.0	-103.95	324.59	2.62	-101.33
CC1=C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)C(N)=NO1	REAL300010888578	1	37	-2.0	-93.47	311.53	-0.36	-93.83
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CC1	REAL300010888580	0	38	-2.0	-98.37	353.40	3.46	-94.91
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CC1	REAL300010888582	1	38	-2.0	-90.26	350.12	3.37	-86.89
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CC1	REAL300010888583	1	36	-2.0	-94.27	333.96	3.65	-90.62
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)S1	REAL300010888589	1	39	-2.0	-90.70	348.67	-1.24	-91.94
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC1	REAL300010888610	0	36	-2.0	-102.30	326.30	3.13	-99.17
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1CCN(CC(=O)[O-])CC1	REAL300010888621	0	44	-2.0	-100.33	371.63	3.77	-96.56
N#CC1=CC=C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)O1	REAL300010888636	1	34	-2.0	-94.70	307.88	0.81	-93.89
CC1=NC(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)=C(Br)N1C	REAL300010888642	1	39	-2.0	-109.77	344.57	1.71	-108.06
O=C([O-])CN1CCC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010888646	0	40	-2.0	-86.93	340.76	1.99	-84.94
CN1C=C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300010888672	1	39	-2.0	-102.13	343.95	1.15	-100.98
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010888673	1	38	-2.0	-100.10	347.18	4.39	-95.71
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(F)C=CS2)CC1	REAL300010888675	1	33	-2.0	-102.90	302.23	1.32	-101.58
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300010888690	1	39	-2.0	-104.23	355.26	4.33	-99.90
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(Cl)C=CS2)CC1	REAL300010888696	1	33	-2.0	-100.50	311.93	1.73	-98.77
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=NC=CC=C2Br)CC1	REAL300010888757	1	35	-2.0	-106.75	316.49	1.05	-105.70
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)=C1F	REAL300010888765	1	42	-2.0	-103.55	368.76	3.01	-100.54
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)O1	REAL300010888775	1	42	-2.0	-97.98	361.39	1.64	-96.34
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CC1	REAL300010888782	1	35	-2.0	-98.21	325.93	0.94	-97.27
COC(=O)C1=C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)OC=C1	REAL300010888786	0	39	-2.0	-109.05	337.35	1.66	-107.39
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)=N1	REAL300010888788	0	38	-2.0	-114.47	332.32	1.18	-113.29
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CC1	REAL300010888818	1	35	-2.0	-94.73	329.01	1.46	-93.27
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CC1	REAL300010888819	1	35	-2.0	-98.03	321.34	0.87	-97.16
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)CC1	REAL300010888820	1	35	-2.0	-97.37	310.88	0.38	-96.99
CN1N=CC(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)=C1C(F)(F)F	REAL300010888840	1	39	-2.0	-97.03	337.12	0.91	-96.12
O=C([O-])CN1CCC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010888850	0	37	-2.0	-88.07	308.44	1.06	-87.01
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=NS2)CC1	REAL300010888867	1	32	-2.0	-95.27	290.70	-0.03	-95.30
O=C([O-])CN1CCC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010888889	0	44	-2.0	-97.80	354.56	2.12	-95.68
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(Br)C=CO2)CC1	REAL300010888897	0	33	-2.0	-99.86	305.72	0.95	-98.91
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1CCN(CC(=O)[O-])CC1	REAL300010888907	1	40	-2.0	-103.73	343.95	2.93	-100.80
CC1=CSC(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)=N1	REAL300010888917	1	35	-2.0	-101.81	312.26	-0.15	-101.96
CN1N=NN=C1S(=O)(=O)[N-]C1CCN(CC(=O)[O-])CC1	REAL300010888921	1	34	-2.0	-94.10	293.12	-1.67	-95.77
O=C([O-])CN1CCC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CC1	REAL300010888935	0	39	-2.0	-95.53	330.31	2.58	-92.95
O=C([O-])CN1CCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010888940	0	37	-2.0	-86.48	334.88	2.06	-84.42
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010888970	1	33	-2.0	-96.35	308.34	0.99	-95.36
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CC1	REAL300010888998	1	36	-2.0	-95.46	327.81	1.49	-93.97
O=C([O-])CN1CCC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010889021	0	37	-2.0	-88.07	308.44	1.06	-87.01
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=C(Cl)O2)CC1	REAL300010889026	1	33	-2.0	-96.00	303.70	0.87	-95.13
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CC1	REAL300010889032	1	36	-2.0	-97.15	331.49	2.88	-94.27
CC1=NC(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300010889044	1	45	-2.0	-113.76	380.06	1.24	-112.52
CCN1N=CC(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)=N1	REAL300010889060	1	38	-2.0	-100.78	324.81	-0.88	-101.66
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)=C1	REAL300010889072	0	39	-2.0	-93.47	358.52	1.55	-91.92
COC1=CC(F)=C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)C(F)=C1	REAL300010889076	1	40	-2.0	-104.75	341.96	1.84	-102.91
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CC1	REAL300010889080	1	33	-2.0	-91.54	329.04	2.36	-89.18
N#CC1=C(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)OC=C1	REAL300010889088	1	34	-2.0	-100.83	306.64	0.74	-100.09
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=NC=C(Br)C=N2)CC1	REAL300010889118	0	34	-2.0	-101.23	316.98	0.08	-101.15
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=NC=CC=C2Cl)CC1	REAL300010889121	1	35	-2.0	-107.40	312.82	0.93	-106.47
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)S1	REAL300010889126	1	45	-2.0	-91.23	385.72	0.32	-90.91
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CC1	REAL300010889129	0	35	-2.0	-104.96	324.85	1.12	-103.84
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CC1	REAL300010889157	1	38	-2.0	-108.65	329.22	1.57	-107.08
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1CCN(CC(=O)[O-])CC1	REAL300010889177	1	42	-2.0	-116.70	356.59	3.85	-112.85
O=C([O-])CN1CCC([N-]S(=O)(=O)C2=C(Br)C=NS2)CC1	REAL300010889182	0	32	-2.0	-92.03	307.89	0.69	-91.34
CC1=CC=C([O-])C(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)=C1	REAL300010889202	1	40	-2.0	-93.92	323.45	1.65	-92.27
O=C([O-])CN1CCC(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010889203	0	41	-2.0	-93.89	355.89	2.42	-91.47
CN1C=C(C2CC(C(=O)[O-])CN(S(=O)(=O)C3=NC=C[N-]3)C2)C=N1	REAL300010889574	0	38	-2.0	-102.31	334.12	2.37	-99.94
CN1C=C(C2CC(C(=O)[O-])CN(S(=O)(=O)C3=CC(F)=CC=C3[O-])C2)C=N1	REAL300010889597	0	42	-2.0	-112.71	357.58	5.54	-107.17
CN1C=C(C2CC(C(=O)[O-])CN(S(=O)(=O)C3=CC(F)=CC=C3[O-])C2)C=N1	REAL300010889679	0	42	-2.0	-112.71	357.58	5.54	-107.17
CC1=CC=C([O-])C(S(=O)(=O)N2CC(C(=O)[O-])CC(C3=CN(C)N=C3)C2)=C1	REAL300010889774	1	45	-2.0	-119.30	378.29	5.53	-113.77
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010892149	0	32	-2.0	-108.34	268.34	4.22	-104.12
O=C([O-])C1CCN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300010892197	0	39	-2.0	-106.79	300.82	4.97	-101.82
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010892246	0	34	-2.0	-124.45	290.79	6.04	-118.41
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010892252	0	32	-2.0	-102.63	294.65	5.21	-97.42
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010892332	0	32	-2.0	-108.34	268.34	4.22	-104.12
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010892381	1	37	-2.0	-115.53	317.11	3.32	-112.21
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=N[N-]1	REAL300010892381	1	37	-2.0	-115.46	317.12	3.32	-112.14
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010892441	1	40	-2.0	-113.40	335.68	3.30	-110.10
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010892508	0	36	-2.0	-111.61	308.34	5.59	-106.02
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010892921	1	39	-2.0	-105.83	339.29	2.63	-103.20
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010895066	0	32	-2.0	-106.98	280.12	3.64	-103.34
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010895115	1	37	-2.0	-99.38	330.20	2.63	-96.75
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=N[N-]1	REAL300010895115	1	37	-2.0	-99.35	330.31	2.62	-96.73
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300010895175	1	40	-2.0	-97.95	351.04	2.67	-95.28
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010895242	0	36	-2.0	-110.24	321.82	4.91	-105.33
COC(=O)CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300010895907	1	36	-2.0	-106.86	352.18	1.59	-105.27
COC(=O)CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010895965	0	37	-2.0	-106.04	350.36	4.88	-101.16
COC(=O)CCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010896163	0	34	-2.0	-107.32	318.02	3.94	-103.38
COC(=O)CCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010896201	0	41	-2.0	-107.34	353.32	4.79	-102.55
COC(=O)CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010896247	0	36	-2.0	-104.01	339.86	5.71	-98.30
COC(=O)CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010896252	0	34	-2.0	-111.59	338.49	5.53	-106.06
COC(=O)CCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010896335	0	34	-2.0	-107.32	318.02	3.94	-103.38
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CCC(=O)OC)CC(=O)[O-])=C1	REAL300010896384	1	39	-2.0	-112.26	364.47	3.01	-109.25
CCOC(=O)C1=CC(S(=O)(=O)N(CCC(=O)OC)CC(=O)[O-])=N[N-]1	REAL300010896384	1	39	-2.0	-112.25	364.61	3.01	-109.24
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(CCC(=O)OC)CC(=O)[O-])S1	REAL300010896438	1	42	-2.0	-108.65	385.59	3.03	-105.62
COC(=O)CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1[O-]	REAL300010896516	1	37	-2.0	-115.37	333.03	4.55	-110.82
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C1	REAL300010896537	1	28	-2.0	-103.37	278.31	3.33	-100.04
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C1	REAL300010896563	1	25	-2.0	-101.62	283.45	3.30	-98.32
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300010896568	1	28	-2.0	-101.28	298.71	5.04	-96.24
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300010896572	0	28	-2.0	-102.18	292.73	3.87	-98.31
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300010896574	1	28	-2.0	-102.57	293.06	3.87	-98.70
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300010896575	1	28	-2.0	-101.69	278.75	3.32	-98.37
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300010896584	0	28	-2.0	-105.56	273.28	3.57	-101.99
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010896629	1	32	-2.0	-110.30	296.02	3.70	-106.60
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)C(F)=C1Cl	REAL300010896642	0	35	-2.0	-115.28	338.38	2.95	-112.33
COC(=O)C1=CC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C(Br)O1	REAL300010896647	1	31	-2.0	-99.86	319.90	2.54	-97.32
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)O1	REAL300010896661	1	31	-2.0	-103.45	299.80	1.94	-101.51
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300010896663	0	30	-2.0	-127.41	282.83	5.21	-122.20
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300010896666	1	28	-2.0	-113.15	279.88	4.09	-109.06
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010896675	0	30	-2.0	-106.74	308.79	5.95	-100.79
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300010896705	1	30	-2.0	-116.87	292.36	5.46	-111.41
CN1C=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)C(=O)N(C)C1=O	REAL300010896757	1	34	-2.0	-110.90	307.14	2.17	-108.73
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010896769	1	34	-2.0	-120.90	311.55	1.81	-119.09
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C1	REAL300010896796	1	30	-2.0	-112.93	295.83	5.23	-107.70
COC(=O)C1=COC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C1	REAL300010896829	1	31	-2.0	-105.93	298.56	1.95	-103.98
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)O1	REAL300010896860	1	34	-2.0	-103.57	321.66	2.87	-100.70
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300010896866	1	31	-2.0	-111.56	296.82	5.36	-106.20
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])C1	REAL300010896867	1	30	-2.0	-113.71	301.79	5.32	-108.39
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300010896870	1	25	-2.0	-107.29	272.56	2.71	-104.58
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300010896876	1	27	-2.0	-102.65	290.17	2.46	-100.19
CCN1C=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300010896880	1	33	-2.0	-118.18	310.87	4.03	-114.15
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300010896881	1	30	-2.0	-121.28	293.95	4.55	-116.73
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])C1	REAL300010896884	1	30	-2.0	-112.77	300.40	5.34	-107.43
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(F)=C1	REAL300010896887	1	36	-2.0	-92.64	330.68	0.03	-92.61
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)C1	REAL300010896905	1	25	-2.0	-101.77	288.09	3.41	-98.36
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)C(F)=C1	REAL300010896937	0	29	-2.0	-104.82	287.66	3.90	-100.92
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C1	REAL300010896950	1	29	-2.0	-115.38	276.38	3.89	-111.49
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010896983	0	33	-2.0	-94.63	320.85	2.47	-92.16
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010896983	1	33	-2.0	-94.58	320.90	2.46	-92.12
CC1=C(Br)SC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=N1	REAL300010896986	0	27	-2.0	-102.17	287.02	1.43	-100.74
CCCCCCN1C=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)C(=O)NC1=O	REAL300010896993	1	46	-2.0	-115.49	396.78	3.90	-111.59
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C1	REAL300010896994	0	28	-2.0	-96.27	285.62	3.70	-92.57
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)=C1	REAL300010899079	1	31	-2.0	-107.98	307.35	5.03	-102.95
CN1C=NC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C1Cl	REAL300010899096	1	31	-2.0	-116.21	309.90	4.25	-111.96
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010899132	1	35	-2.0	-113.38	330.10	5.16	-108.22
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)O1	REAL300010899167	1	34	-2.0	-106.57	331.99	3.47	-103.10
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])=C1	REAL300010899170	0	33	-2.0	-126.41	318.38	6.42	-119.99
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])=C1	REAL300010899208	1	33	-2.0	-123.21	326.22	6.92	-116.29
CN1C=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(=O)N(C)C1=O	REAL300010899256	1	37	-2.0	-110.66	339.02	3.70	-106.96
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010899272	1	37	-2.0	-122.93	345.31	3.27	-119.66
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])=C1	REAL300010899300	1	33	-2.0	-116.16	327.72	6.80	-109.36
COC(=O)C1=COC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300010899352	1	34	-2.0	-108.63	332.33	3.42	-105.21
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)O1	REAL300010899387	1	37	-2.0	-106.86	353.85	4.40	-102.46
CCN1C=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300010899404	1	36	-2.0	-119.85	342.76	5.57	-114.28
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])=C1	REAL300010899405	1	33	-2.0	-123.17	325.84	6.10	-117.07
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(F)=C1	REAL300010899455	0	32	-2.0	-107.33	321.74	5.36	-101.97
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])=C1	REAL300010899470	1	32	-2.0	-122.29	308.26	5.45	-116.84
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=C1	REAL300010899502	0	36	-2.0	-98.23	352.84	4.13	-94.10
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=C1	REAL300010899502	1	36	-2.0	-98.15	352.90	4.12	-94.03
CC1=C(Br)SC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300010899507	0	30	-2.0	-104.45	320.79	2.90	-101.55
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)=C1	REAL300010899515	0	31	-2.0	-98.93	319.68	5.16	-93.77
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)=C1	REAL300010899525	1	30	-2.0	-108.35	311.41	4.12	-104.23
COC(=O)C1=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)SC=N1	REAL300010899561	0	33	-2.0	-111.76	332.63	2.43	-109.33
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)=C1	REAL300010899591	1	30	-2.0	-104.06	313.61	4.44	-99.62
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)=C1	REAL300010899651	0	31	-2.0	-107.36	313.52	5.09	-102.27
CC1=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(N)=NO1	REAL300010899681	1	32	-2.0	-102.62	299.98	2.06	-100.56
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)=C1	REAL300010899683	1	33	-2.0	-101.91	342.33	5.91	-96.00
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)=C1	REAL300010899685	1	33	-2.0	-99.15	338.58	5.79	-93.36
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300010899692	1	34	-2.0	-100.29	336.32	1.43	-98.86
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)=C1	REAL300010899716	1	31	-2.0	-112.96	314.79	5.54	-107.42
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010899726	0	39	-2.0	-109.55	360.55	6.19	-103.36
N#CC1=CC=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)O1	REAL300010899744	1	29	-2.0	-104.60	296.37	3.22	-101.38
CC1=NC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C(Br)N1C	REAL300010899751	1	34	-2.0	-120.52	334.15	4.07	-116.45
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])=C1	REAL300010899755	0	35	-2.0	-93.90	332.21	4.69	-89.21
CN1C=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300010899786	1	34	-2.0	-112.81	331.08	3.53	-109.28
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])=C1	REAL300010899787	1	33	-2.0	-103.23	336.12	6.90	-96.33
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C1F	REAL300010899884	1	37	-2.0	-114.56	357.26	5.41	-109.15
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)O1	REAL300010899894	1	37	-2.0	-107.54	349.88	4.05	-103.49
COC(=O)C1=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)OC=C1	REAL300010899906	0	34	-2.0	-118.58	328.71	3.70	-114.88
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300010899908	0	33	-2.0	-122.47	320.79	3.58	-118.89
CC1=NSC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300010899913	1	30	-2.0	-105.06	300.93	2.97	-102.09
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)N=S2(=O)CCCC2)=C1	REAL300010899944	1	35	-2.0	-138.50	323.60	1.97	-136.53
CCS(=O)(CC)=NS(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010899949	1	37	-2.0	-137.52	336.84	2.28	-135.24
CN1N=CC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300010899959	1	34	-2.0	-105.83	326.78	3.33	-102.50
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300010899969	0	32	-2.0	-95.18	299.56	3.74	-91.44
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010899971	1	34	-2.0	-123.56	323.43	2.35	-121.21
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010899974	1	40	-2.0	-132.63	356.00	2.71	-129.92
O=C([O-])C1=CC=CC(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010900009	0	39	-2.0	-102.71	340.18	4.78	-97.93
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010900029	1	35	-2.0	-110.99	332.44	5.37	-105.62
CC1=CSC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300010900039	1	30	-2.0	-109.65	300.74	2.26	-107.39
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300010900057	0	34	-2.0	-104.18	321.36	5.38	-98.80
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300010900062	0	32	-2.0	-93.21	325.90	4.74	-88.47
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300010900081	1	35	-2.0	-97.52	348.89	6.02	-91.50
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])=C1	REAL300010900148	0	32	-2.0	-95.18	299.56	3.74	-91.44
CC1=NC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C(C2=CC=CC=C2)O1	REAL300010900174	1	40	-2.0	-116.21	366.86	3.87	-112.34
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300010900190	1	33	-2.0	-109.49	313.30	1.53	-107.96
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300010900198	1	37	-2.0	-99.28	349.44	2.78	-96.50
CCOC(=O)C1=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=N[N-]1	REAL300010900198	1	37	-2.0	-99.28	349.49	2.79	-96.49
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300010900200	0	34	-2.0	-103.26	347.00	3.96	-99.30
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)C(F)=C1	REAL300010900204	1	35	-2.0	-113.16	330.44	4.26	-108.90
N#CC1=C(S(=O)(=O)[N-]CC2=CC=CC(C(=O)[O-])=C2)OC=C1	REAL300010900217	1	29	-2.0	-108.35	294.29	3.15	-105.20
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010900218	1	34	-2.0	-123.56	323.43	2.35	-121.21
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300010900256	1	40	-2.0	-100.56	373.30	2.99	-97.57
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC1=CC=CC(C(=O)[O-])=C1	REAL300010900309	1	37	-2.0	-125.04	341.77	6.40	-118.64
O=C([O-])C1=CC=CC(C[N-]S(=O)(=O)C2=C(Br)C=NS2)=C1	REAL300010900314	1	27	-2.0	-100.47	296.37	3.10	-97.37
CC1=CC=C([O-])C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300010900332	1	35	-2.0	-101.44	314.57	4.34	-97.10
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)=C1	REAL300010900333	0	36	-2.0	-103.52	343.13	5.03	-98.49
COC(=O)C1CC2(C1)CN(S(=O)(=O)C1=NC=C[N-]1)CC2C(=O)[O-]	REAL300010900609	0	38	-2.0	-94.34	330.28	2.44	-91.90
COC(=O)C1CC2(C1)CN(S(=O)(=O)C1=CC(F)=CC=C1[O-])CC2C(=O)[O-]	REAL300010900628	0	42	-2.0	-112.95	366.28	5.11	-107.84
COC(=O)C1CC2(C1)CN(S(=O)(=O)C1=CC(F)=CC=C1[O-])CC2C(=O)[O-]	REAL300010900702	0	42	-2.0	-112.95	366.28	5.11	-107.84
COC(=O)C1CC2(C1)CN(S(=O)(=O)C1=CC(C)=CC=C1[O-])CC2C(=O)[O-]	REAL300010900786	1	45	-2.0	-121.68	381.29	5.70	-115.98
CC(C)([N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010900801	1	27	-2.0	-110.45	288.42	4.70	-105.75
CC(C)([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010900826	1	24	-2.0	-108.40	266.35	2.92	-105.48
CC(C)([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010900830	1	27	-2.0	-110.35	283.86	4.59	-105.76
CC(C)([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010900832	0	27	-2.0	-109.70	276.01	3.49	-106.21
CC(C)([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010900834	1	27	-2.0	-109.44	276.00	3.49	-105.95
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010900882	1	31	-2.0	-119.59	281.17	3.20	-116.39
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])C(F)=C1Cl	REAL300010900891	0	34	-2.0	-124.27	321.59	2.56	-121.71
COC(=O)C1=CC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C(Br)O1	REAL300010900896	1	30	-2.0	-106.87	302.85	2.17	-104.70
CC(C)([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010900910	0	29	-2.0	-132.73	269.51	4.43	-128.30
CC(C)([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010900913	1	27	-2.0	-121.35	263.14	3.71	-117.64
CC(C)([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010900922	0	29	-2.0	-118.41	290.03	5.44	-112.97
CC(C)([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010900951	1	29	-2.0	-128.67	277.22	4.96	-123.71
CC(C)([N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010900991	1	26	-2.0	-109.37	268.66	1.90	-107.47
CN1C=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])C(=O)N(C)C1=O	REAL300010900998	1	33	-2.0	-122.07	290.09	1.75	-120.32
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)C(=O)N(C)C1=O	REAL300010902025	1	37	-2.0	-129.45	338.61	4.57	-124.88
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010902039	1	37	-2.0	-146.02	344.21	4.32	-141.70
O=C([O-])C([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C1=CC=C(F)C=C1	REAL300010902066	1	33	-2.0	-136.09	328.55	7.74	-128.35
COC(=O)C1=COC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010902121	1	34	-2.0	-128.52	333.15	4.41	-124.11
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300010902155	1	37	-2.0	-121.72	352.76	5.44	-116.28
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)C([N+](=O)[O-])=N1	REAL300010902170	1	36	-2.0	-132.16	343.60	6.55	-125.61
O=C([O-])C([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C1=CC=C(F)C=C1	REAL300010902171	1	33	-2.0	-140.71	325.68	6.87	-133.84
N#CC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)C(F)=C1	REAL300010902209	0	32	-2.0	-127.07	320.61	6.37	-120.70
O=C([O-])C([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C1=CC=C(F)C=C1	REAL300010902222	0	32	-2.0	-134.79	307.16	6.47	-128.32
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C1=CC=C(F)C=C1	REAL300010902264	0	31	-2.0	-116.29	318.60	6.18	-110.11
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C1=CC=C(F)C=C1	REAL300010902275	1	30	-2.0	-126.32	312.22	5.06	-121.26
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)SC=N1	REAL300010902310	0	33	-2.0	-138.28	328.44	3.74	-134.54
O=C([O-])C([N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300010902338	1	30	-2.0	-122.06	314.42	5.42	-116.64
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C1=CC=C(F)C=C1	REAL300010902392	0	31	-2.0	-128.74	314.36	6.05	-122.69
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)C(N)=NO1	REAL300010902418	1	32	-2.0	-116.86	297.80	3.10	-113.76
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)S1	REAL300010902425	1	34	-2.0	-97.08	340.53	1.64	-95.44
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C1=CC=C(F)C=C1	REAL300010902445	1	31	-2.0	-132.74	313.67	6.56	-126.18
N#CC1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300010902468	1	29	-2.0	-117.77	295.28	4.27	-113.50
O=C([O-])C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C1=CC=C(F)C=C1	REAL300010902478	0	35	-2.0	-108.85	329.40	4.96	-103.89
CN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)C(C(F)(F)F)=N1	REAL300010902504	1	34	-2.0	-126.91	333.28	4.57	-122.34
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300010902592	1	37	-2.0	-123.71	350.73	5.04	-118.67
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)OC=C1	REAL300010902602	0	34	-2.0	-141.36	327.62	4.67	-136.69
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300010902604	0	33	-2.0	-142.64	318.29	4.44	-138.20
CC1=NSC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010902609	1	30	-2.0	-123.59	301.75	3.96	-119.63
CS(C)(=O)=NS(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010902637	1	31	-2.0	-159.95	296.69	1.53	-158.42
O=C([O-])C([N-]S(=O)(=O)N=S1(=O)CCCC1)C1=CC=C(F)C=C1	REAL300010902638	1	35	-2.0	-153.98	329.41	2.35	-151.63
CCS(=O)(CC)=NS(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010902643	1	37	-2.0	-158.22	335.73	3.29	-154.93
CN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)=C1C(F)(F)F	REAL300010902652	1	34	-2.0	-124.58	326.43	4.30	-120.28
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C1=CC=C(F)C=C1	REAL300010902662	0	32	-2.0	-110.35	298.86	4.39	-105.96
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010902664	1	34	-2.0	-145.63	322.35	3.40	-142.23
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010902667	1	40	-2.0	-162.15	354.90	3.62	-158.53
O=C([O-])C(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300010902698	0	39	-2.0	-101.61	343.09	4.94	-96.67
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010902716	1	35	-2.0	-133.13	333.23	6.13	-127.00
CC1=CSC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300010902724	1	30	-2.0	-131.13	299.65	3.30	-127.83
CN1N=NN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010902728	1	29	-2.0	-110.62	282.66	1.68	-108.94
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010902743	0	34	-2.0	-99.22	318.90	5.56	-93.66
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(F)C=C1	REAL300010902748	0	32	-2.0	-106.53	324.47	5.71	-100.82
O=C([O-])C([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300010902766	1	35	-2.0	-115.46	349.70	7.00	-108.46
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C1=CC=C(F)C=C1	REAL300010902829	0	32	-2.0	-110.35	298.86	4.39	-105.96
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)=C(C2=CC=CC=C2)O1	REAL300010902852	1	40	-2.0	-141.21	365.78	4.92	-136.29
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)=N1	REAL300010902867	1	33	-2.0	-126.29	312.07	2.59	-123.70
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010902877	1	37	-2.0	-108.53	353.41	2.96	-105.57
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=N[N-]1	REAL300010902877	1	37	-2.0	-108.51	353.51	2.96	-105.55
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010902879	0	34	-2.0	-118.24	347.85	4.94	-113.30
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)C(F)=C1	REAL300010902882	1	35	-2.0	-135.28	329.35	5.28	-130.00
N#CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)OC=C1	REAL300010902892	1	29	-2.0	-129.92	293.20	4.17	-125.75
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010902893	1	34	-2.0	-145.63	322.35	3.40	-142.23
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010902973	1	37	-2.0	-148.43	343.89	7.01	-141.42
O=C([O-])C([N-]S(=O)(=O)C1=C(Br)C=NS1)C1=CC=C(F)C=C1	REAL300010902978	1	27	-2.0	-118.50	298.36	4.01	-114.49
CC1=CC=C([O-])C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010903000	1	35	-2.0	-119.93	313.13	5.33	-114.60
CCC(C[N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010904005	0	27	-2.0	-119.20	270.84	1.88	-117.32
CCC(C[N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010904016	1	34	-2.0	-125.73	305.51	3.87	-121.86
CCC(C[N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010904036	0	33	-2.0	-113.57	332.63	2.59	-110.98
CCC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010904041	0	33	-2.0	-99.61	297.98	3.88	-95.73
CCC(C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010904044	1	33	-2.0	-132.24	303.43	2.44	-129.80
CCC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010904046	0	31	-2.0	-94.08	301.31	3.27	-90.81
CCC(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010904074	1	27	-2.0	-117.77	274.04	2.03	-115.74
CCC(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010904098	1	30	-2.0	-117.92	297.85	2.43	-115.49
CCC(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010904111	1	33	-2.0	-127.20	328.76	5.41	-121.79
CCC(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010904115	1	35	-2.0	-127.18	336.76	4.75	-122.43
CCC(C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010904119	1	36	-2.0	-118.45	346.33	4.53	-113.92
CCC(C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010904125	0	30	-2.0	-123.07	303.81	4.12	-118.95
CCC(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010904126	1	32	-2.0	-120.77	315.01	2.49	-118.28
CCC(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010904129	1	32	-2.0	-120.77	315.01	2.49	-118.28
CCC(C[N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010904132	1	34	-2.0	-130.91	325.86	4.23	-126.68
CCC(C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010904135	1	30	-2.0	-116.73	301.53	3.82	-112.91
CCC(C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010904144	1	39	-2.0	-138.10	345.61	2.30	-135.80
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010904162	1	36	-2.0	-100.36	330.37	1.31	-99.05
CCOC(=O)C1=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=N[N-]1	REAL300010904162	1	36	-2.0	-100.36	330.42	1.32	-99.04
CCC(C[N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010904164	0	33	-2.0	-112.82	328.56	2.49	-110.33
CCC(C[N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010904167	1	34	-2.0	-127.80	324.62	4.45	-123.35
CCC(C[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010904169	1	34	-2.0	-127.94	311.99	2.80	-125.14
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010904174	1	27	-2.0	-112.04	299.07	3.32	-108.72
CCC(C[N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010904180	1	27	-2.0	-117.42	288.16	3.34	-114.08
CCC(C[N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010904183	1	33	-2.0	-137.26	301.35	0.78	-136.48
CCC(C[N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010904210	0	28	-2.0	-123.35	287.01	1.04	-122.31
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC(CC)C(=O)[O-])S1	REAL300010904217	1	39	-2.0	-94.12	349.94	1.49	-92.63
CCC(C[N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010904221	0	29	-2.0	-125.96	290.56	2.16	-123.80
CCC(C[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010904244	1	32	-2.0	-132.01	299.27	2.52	-129.49
CCC(C[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010904248	0	29	-2.0	-118.47	302.05	2.61	-115.86
CCC(C[N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010904260	1	36	-2.0	-124.07	341.74	5.37	-118.70
CCC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010904262	1	36	-2.0	-138.87	320.14	4.97	-133.90
CCC(C[N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010904268	0	26	-2.0	-112.69	277.93	1.64	-111.05
CCC(CNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010904276	0	35	-2.0	-100.11	318.55	3.58	-96.53
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCCCC1	REAL300010904295	1	37	-2.0	-122.40	313.99	5.93	-116.47
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCCCC1	REAL300010904298	0	37	-2.0	-134.01	304.40	6.02	-127.99
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCCCC1	REAL300010904323	1	37	-2.0	-124.42	307.72	5.90	-118.52
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCCCC1	REAL300010904325	1	34	-2.0	-113.14	317.01	5.84	-107.30
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCCCC1	REAL300010904338	1	37	-2.0	-115.08	314.10	5.94	-109.14
CN1C=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)=C1Cl	REAL300010904363	1	37	-2.0	-134.87	314.35	5.26	-129.61
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCCCC1	REAL300010904395	1	41	-2.0	-123.68	333.52	6.18	-117.50
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)O1	REAL300010904423	1	40	-2.0	-121.66	335.46	4.54	-117.12
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCCCC1	REAL300010904426	0	39	-2.0	-134.75	317.02	7.09	-127.66
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCCCC1	REAL300010904429	1	37	-2.0	-123.50	315.47	6.71	-116.79
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCCCC1	REAL300010904460	1	39	-2.0	-126.06	325.25	7.60	-118.46
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)CCCCC1	REAL300010904493	1	36	-2.0	-115.05	318.17	4.76	-110.29
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)C(=O)N(C)C1=O	REAL300010904500	1	43	-2.0	-134.58	343.36	4.60	-129.98
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCCCC1	REAL300010904514	1	43	-2.0	-139.66	348.71	4.30	-135.36
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCCCC1	REAL300010904535	1	39	-2.0	-133.75	333.65	7.81	-125.94
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCCC1	REAL300010904575	1	40	-2.0	-132.65	325.60	6.15	-126.50
COC(=O)C1=COC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)=C1	REAL300010904585	1	40	-2.0	-122.57	335.80	4.48	-118.09
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)O1	REAL300010904617	1	43	-2.0	-122.42	357.24	5.48	-116.94
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CCCCC1	REAL300010904623	1	40	-2.0	-122.73	331.67	7.53	-115.20
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)C=CS2)CCCCC1	REAL300010904625	1	34	-2.0	-120.49	304.46	5.51	-114.98
CCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)C([N+](=O)[O-])=N1	REAL300010904632	1	42	-2.0	-133.01	341.04	6.56	-126.45
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCCCC1	REAL300010904633	1	39	-2.0	-137.94	326.02	7.29	-130.65
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=CC(F)=C2F)CCCCC1	REAL300010904650	1	37	-2.0	-131.31	307.70	5.88	-125.43
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)C(F)=C1	REAL300010904668	0	38	-2.0	-121.14	325.25	6.43	-114.71
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCCCC1	REAL300010904711	0	37	-2.0	-111.99	323.22	6.23	-105.76
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCCCC1	REAL300010904720	1	36	-2.0	-118.16	315.65	5.16	-113.00
O=C([O-])CC1([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCCCC1	REAL300010904721	1	36	-2.0	-110.01	318.63	4.83	-105.18
COC(=O)C1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)SC=N1	REAL300010904749	0	39	-2.0	-122.66	335.71	3.52	-119.14
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCCCC1	REAL300010904755	1	34	-2.0	-121.40	300.30	4.47	-116.93
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCCCC1	REAL300010904763	1	37	-2.0	-125.58	311.89	6.56	-119.02
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCCCC1	REAL300010904812	1	37	-2.0	-115.73	328.15	6.73	-109.00
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCCCC1	REAL300010904825	0	37	-2.0	-121.98	316.98	6.15	-115.83
CC1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)C(N)=NO1	REAL300010904850	1	38	-2.0	-110.58	302.39	3.16	-107.42
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCCCC1	REAL300010904853	1	39	-2.0	-111.13	342.13	6.86	-104.27
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCCCC1	REAL300010904854	1	37	-2.0	-112.33	325.91	7.14	-105.19
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(CC(=O)[O-])CCCCC2)S1	REAL300010904860	1	40	-2.0	-98.16	331.18	1.78	-96.38
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCCCC1	REAL300010904872	0	37	-2.0	-128.68	318.29	6.61	-122.07
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCCCC1	REAL300010904876	1	37	-2.0	-124.86	318.04	6.35	-118.51
N#CC1=CC=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)O1	REAL300010904895	1	35	-2.0	-118.68	299.84	4.28	-114.40
CC1=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)=C(Br)N1C	REAL300010904900	1	40	-2.0	-137.21	336.54	5.20	-132.01
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)C(C(F)(F)F)=N1	REAL300010904925	1	40	-2.0	-124.19	331.88	4.52	-119.67
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCCCC1	REAL300010904926	1	39	-2.0	-124.85	340.39	7.80	-117.05
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CS2)CCCCC1	REAL300010904928	1	34	-2.0	-124.96	292.52	4.86	-120.10
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCCC1	REAL300010904939	1	40	-2.0	-124.36	332.01	6.22	-118.14
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCCCC1	REAL300010904940	1	40	-2.0	-127.96	348.35	7.77	-120.19
O=C([O-])CC1([N-]S(=O)(=O)C2=CNN=C2Cl)CCCCC1	REAL300010904944	1	34	-2.0	-118.53	293.72	2.53	-116.00
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CS2)CCCCC1	REAL300010904946	1	34	-2.0	-121.62	300.66	5.37	-116.25
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)=C1F	REAL300010905004	1	43	-2.0	-130.18	360.72	6.49	-123.69
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)O1	REAL300010905014	1	43	-2.0	-123.31	353.27	5.14	-118.17
COC(=O)C1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)OC=C1	REAL300010905024	0	40	-2.0	-134.63	332.09	4.75	-129.88
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)=N1	REAL300010905026	0	39	-2.0	-139.98	324.30	4.61	-135.37
CC1=NSC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)=C1	REAL300010905031	1	36	-2.0	-118.77	304.32	4.04	-114.73
O=C([O-])CC1([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCCCC1	REAL300010905034	1	37	-2.0	-121.12	310.07	3.18	-117.94
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)NC=N2)CCCCC1	REAL300010905054	1	34	-2.0	-123.60	295.31	3.77	-119.83
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCCCC1	REAL300010905056	1	36	-2.0	-114.42	318.09	4.82	-109.60
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCCCC1	REAL300010905057	1	36	-2.0	-122.45	313.24	4.36	-118.09
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(F)N=C2F)CCCCC1	REAL300010905058	1	36	-2.0	-121.38	302.76	3.87	-117.51
CN1N=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)=C1C(F)(F)F	REAL300010905075	1	40	-2.0	-116.45	327.41	4.31	-112.14
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCCCC1	REAL300010905084	1	40	-2.0	-138.07	326.85	3.38	-134.69
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C1(CC(=O)[O-])CCCCC1	REAL300010905087	1	46	-2.0	-157.62	359.39	3.76	-153.86
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=NS2)CCCCC1	REAL300010905098	1	33	-2.0	-117.59	282.57	3.45	-114.14
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)C=CO2)CCCCC1	REAL300010905125	0	34	-2.0	-122.76	299.94	4.35	-118.41
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCCCC1	REAL300010905135	1	41	-2.0	-125.19	333.71	6.09	-119.10
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CCCCC1	REAL300010905156	0	40	-2.0	-103.41	318.79	6.01	-97.40
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCCCC1	REAL300010905158	1	40	-2.0	-131.66	325.27	4.93	-126.73
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCCCC1	REAL300010905203	1	37	-2.0	-120.13	319.69	4.99	-115.14
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CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010907693	1	37	-2.0	-117.02	349.04	2.93	-114.09
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COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010907695	0	34	-2.0	-129.56	341.44	4.87	-124.69
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](C(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300010907699	1	35	-2.0	-146.39	324.84	5.14	-141.25
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COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](C(=O)[O-])C1=CC=CC=C1	REAL300010907713	1	34	-2.0	-155.56	315.94	3.33	-152.23
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)S1	REAL300010907751	1	40	-2.0	-112.82	370.02	3.24	-109.58
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H](C(=O)[O-])C1=CC=CC=C1	REAL300010907804	1	37	-2.0	-162.88	336.19	7.27	-155.61
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CC1=CC=C([O-])C(S(=O)(=O)N[C@H](C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010907827	1	35	-2.0	-128.26	306.74	5.26	-123.00
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CN1C=NC(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])=C1Cl	REAL300010907920	1	34	-2.0	-140.95	324.08	5.97	-134.98
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010907952	1	38	-2.0	-134.73	351.03	6.24	-128.49
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])O1	REAL300010907985	1	37	-2.0	-130.17	348.07	5.15	-125.02
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CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010908086	1	40	-2.0	-152.25	361.40	4.96	-147.29
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010908112	1	36	-2.0	-139.03	343.80	8.44	-130.59
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010908153	1	37	-2.0	-138.19	343.39	6.15	-132.04
COC(=O)C1=COC(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010908165	1	37	-2.0	-132.81	348.42	5.10	-127.71
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])O1	REAL300010908199	1	40	-2.0	-129.26	368.01	6.15	-123.11
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010908206	1	31	-2.0	-129.91	325.94	5.33	-124.58
CCN1C=C(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010908214	1	39	-2.0	-141.72	357.20	7.04	-134.68
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010908215	1	36	-2.0	-146.83	341.92	7.60	-139.23
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010908235	1	34	-2.0	-142.06	320.32	6.48	-135.58
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300010908255	0	35	-2.0	-133.75	337.83	7.01	-126.74
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010908270	1	35	-2.0	-138.29	323.00	7.02	-131.27
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010908311	0	34	-2.0	-118.97	340.86	6.23	-112.74
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010908320	1	33	-2.0	-131.47	327.51	5.74	-125.73
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010908321	1	33	-2.0	-121.42	333.97	5.53	-115.89
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])SC=N1	REAL300010908354	0	36	-2.0	-140.31	346.58	4.20	-136.11
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010908363	1	31	-2.0	-130.61	312.91	5.09	-125.52
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010908372	1	34	-2.0	-143.47	324.58	7.13	-136.34
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010908427	1	34	-2.0	-124.85	341.78	7.52	-117.33
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010908440	0	34	-2.0	-132.09	327.68	6.81	-125.28
CC1=C(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])C(N)=NO1	REAL300010908468	1	35	-2.0	-119.50	319.82	3.17	-116.33
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010908470	1	34	-2.0	-123.76	336.60	7.75	-116.01
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-])S1	REAL300010908475	1	37	-2.0	-107.69	357.50	2.44	-105.25
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010908498	0	34	-2.0	-136.32	335.98	6.61	-129.71
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010908503	1	34	-2.0	-137.75	330.76	6.93	-130.82
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010908509	0	42	-2.0	-133.58	376.38	7.87	-125.71
N#CC1=CC=C(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])O1	REAL300010908523	1	32	-2.0	-127.66	312.45	4.90	-122.76
O=C([O-])[C@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010908533	0	38	-2.0	-112.43	346.26	5.69	-106.74
CN1C=C(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010908558	1	37	-2.0	-133.13	352.11	4.61	-128.52
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300010908560	1	31	-2.0	-139.95	306.81	5.42	-134.53
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010908573	1	37	-2.0	-130.42	349.81	6.22	-124.20
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010908574	1	37	-2.0	-139.84	359.82	8.42	-131.42
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300010908578	1	31	-2.0	-128.05	304.90	3.24	-124.81
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010908580	1	31	-2.0	-131.10	321.61	5.23	-125.87
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010908635	1	33	-2.0	-137.72	319.81	5.20	-132.52
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])=C1F	REAL300010908641	1	40	-2.0	-138.07	371.41	7.16	-130.91
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])O1	REAL300010908650	1	40	-2.0	-128.97	371.07	5.12	-123.85
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])OC=C1	REAL300010908660	0	37	-2.0	-143.71	340.67	5.83	-137.88
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300010908662	0	36	-2.0	-153.66	336.92	5.02	-148.64
CC1=NSC(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010908667	1	33	-2.0	-128.69	317.02	4.65	-124.04
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010908669	1	34	-2.0	-128.60	321.27	3.85	-124.75
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010908688	1	31	-2.0	-141.81	307.89	4.38	-137.43
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010908690	1	33	-2.0	-125.22	333.57	5.54	-119.68
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010908691	1	33	-2.0	-131.69	325.90	4.95	-126.74
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010908692	1	33	-2.0	-130.40	315.44	4.46	-125.94
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300010908696	1	38	-2.0	-169.44	337.75	3.57	-165.87
CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010908701	1	40	-2.0	-165.92	357.79	3.37	-162.55
CN1N=CC(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])=C1C(F)(F)F	REAL300010908711	1	37	-2.0	-128.02	340.80	4.92	-123.10
O=C([O-])[C@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010908721	0	35	-2.0	-113.70	315.21	5.46	-108.24
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010908723	1	37	-2.0	-151.70	339.54	4.03	-147.67
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-][C@@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010908726	1	43	-2.0	-165.76	376.94	3.80	-161.96
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=NS1	REAL300010908737	1	30	-2.0	-125.34	300.12	3.48	-121.86
O=C([O-])[C@H](CC1=CC=CC=C1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010908757	0	42	-2.0	-116.98	348.21	5.42	-111.56
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010908765	0	31	-2.0	-130.13	317.73	4.34	-125.79
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010908775	1	38	-2.0	-136.54	350.03	6.43	-130.11
CC1=CSC(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300010908784	1	33	-2.0	-132.11	322.16	3.29	-128.82
CN1N=NN=C1S(=O)(=O)[N-][C@@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010908788	1	32	-2.0	-120.59	302.80	1.81	-118.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010908803	0	37	-2.0	-101.51	335.78	6.29	-95.22
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010908805	1	37	-2.0	-146.47	337.96	5.55	-140.92
O=C([O-])[C@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010908808	0	35	-2.0	-110.70	342.23	6.11	-104.59
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010908840	1	31	-2.0	-130.61	312.91	5.09	-125.52
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010908868	1	34	-2.0	-128.76	332.38	5.58	-123.18
O=C([O-])[C@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010908891	0	35	-2.0	-113.70	315.21	5.46	-108.24
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010908896	1	36	-2.0	-129.68	349.54	5.62	-124.06
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300010908897	1	31	-2.0	-130.12	308.28	4.98	-125.14
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010908899	1	36	-2.0	-129.68	349.54	5.62	-124.06
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010908902	1	34	-2.0	-131.43	336.05	6.96	-124.47
CC1=NC(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010908914	1	43	-2.0	-145.58	388.74	4.73	-140.85
CCN1N=CC(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300010908929	1	36	-2.0	-132.66	327.32	3.30	-129.36
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010908939	1	40	-2.0	-113.65	372.51	3.73	-109.92
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=N[N-]1	REAL300010908939	1	40	-2.0	-113.59	372.62	3.75	-109.84
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010908941	0	37	-2.0	-124.25	361.17	5.70	-118.55
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300010908944	1	38	-2.0	-136.87	351.60	5.33	-131.54
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010908948	1	31	-2.0	-121.86	331.67	6.53	-115.33
N#CC1=C(S(=O)(=O)[N-][C@@H](CC2=CC=CC=C2)C(=O)[O-])OC=C1	REAL300010908956	1	32	-2.0	-135.79	312.69	4.81	-130.98
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010908957	1	37	-2.0	-151.70	339.54	4.03	-147.67
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010908984	0	32	-2.0	-134.95	321.55	4.18	-130.77
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010908987	1	33	-2.0	-139.88	316.22	5.07	-134.81
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-])S1	REAL300010908992	1	43	-2.0	-103.61	390.05	3.72	-99.89
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010909023	1	36	-2.0	-141.93	338.75	5.06	-136.87
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010909041	1	40	-2.0	-154.70	361.67	7.91	-146.79
O=C([O-])[C@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010909046	0	30	-2.0	-123.15	312.46	4.78	-118.37
CC1=CC=C([O-])C(S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010909067	1	38	-2.0	-123.41	328.93	5.35	-118.06
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010909068	1	31	-2.0	-125.81	299.85	6.87	-118.94
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1Br	REAL300010909069	0	31	-2.0	-124.89	286.45	6.76	-118.13
COC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909071	0	37	-2.0	-133.57	317.46	7.70	-125.87
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909072	1	40	-2.0	-123.74	355.51	7.84	-115.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010909073	0	31	-2.0	-125.86	300.46	7.09	-118.77
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010909074	1	37	-2.0	-134.56	334.07	6.99	-127.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300010909075	1	43	-2.0	-132.33	355.08	8.56	-123.77
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300010909076	1	40	-2.0	-132.00	339.11	8.17	-123.83
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909077	1	43	-2.0	-132.00	357.55	8.83	-123.17
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300010909078	1	42	-2.0	-131.57	374.38	4.24	-127.33
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010909079	0	31	-2.0	-130.07	292.71	6.05	-124.02
CC(=O)NCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909080	1	41	-2.0	-131.55	361.06	5.26	-126.29
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010909081	0	33	-2.0	-114.09	313.44	7.30	-106.79
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010909082	0	31	-2.0	-127.25	300.77	7.51	-119.74
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)S1	REAL300010909083	0	28	-2.0	-122.61	287.88	5.87	-116.74
CCCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909084	1	40	-2.0	-131.42	343.27	8.46	-122.96
COC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909085	0	35	-2.0	-133.58	304.20	6.49	-127.09
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909086	0	42	-2.0	-135.39	360.33	5.36	-130.03
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010909087	0	31	-2.0	-127.72	293.75	6.34	-121.38
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010909088	1	31	-2.0	-121.82	312.02	7.28	-114.54
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1Cl	REAL300010909089	0	31	-2.0	-128.08	285.28	6.63	-121.45
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010909090	0	31	-2.0	-139.16	287.06	6.53	-132.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010909091	0	30	-2.0	-122.16	290.41	4.89	-117.27
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300010909092	1	32	-2.0	-123.64	299.39	6.63	-117.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300010909093	1	32	-2.0	-121.03	299.69	6.64	-114.39
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010909094	0	31	-2.0	-127.68	297.87	6.73	-120.95
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010909095	0	34	-2.0	-126.45	317.64	8.01	-118.44
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1Br	REAL300010909096	1	34	-2.0	-125.14	318.55	7.42	-117.72
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1NC(C)=O	REAL300010909097	1	42	-2.0	-142.20	362.24	4.57	-137.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010909098	1	35	-2.0	-123.11	324.86	6.03	-117.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010909100	1	40	-2.0	-127.72	341.38	6.19	-121.53
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010909101	1	36	-2.0	-123.54	325.41	7.55	-115.99
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)S1	REAL300010909102	0	28	-2.0	-122.90	292.51	5.97	-116.93
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1Cl	REAL300010909103	0	37	-2.0	-124.01	335.23	8.59	-115.42
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010909105	1	47	-2.0	-131.78	380.74	10.04	-121.74
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010909106	1	34	-2.0	-122.54	317.59	7.26	-115.28
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010909107	1	41	-2.0	-134.85	341.27	8.74	-126.11
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909108	1	37	-2.0	-131.77	321.77	7.68	-124.09
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909109	0	39	-2.0	-133.53	333.67	5.77	-127.76
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1OC	REAL300010909110	1	39	-2.0	-128.89	337.28	5.45	-123.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010909111	1	38	-2.0	-136.39	324.07	8.15	-128.24
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300010909112	0	33	-2.0	-115.87	293.05	5.16	-110.71
CC(=O)NCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010909113	0	38	-2.0	-130.22	353.51	4.41	-125.81
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010909115	0	31	-2.0	-127.84	287.54	6.28	-121.56
CC(=O)NC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909116	1	41	-2.0	-141.33	342.60	5.70	-135.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010909117	0	28	-2.0	-116.36	296.70	6.27	-110.09
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300010909118	1	46	-2.0	-131.14	382.33	9.74	-121.40
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010909119	1	37	-2.0	-139.11	317.07	8.43	-130.68
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010909120	1	41	-2.0	-133.02	353.06	9.66	-123.36
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010909121	0	34	-2.0	-118.38	323.95	7.63	-110.75
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909122	1	34	-2.0	-120.53	293.71	6.90	-113.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010909123	0	31	-2.0	-118.00	318.84	8.06	-109.94
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909124	1	46	-2.0	-132.45	369.31	9.03	-123.42
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300010909125	1	34	-2.0	-130.83	314.02	7.35	-123.48
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010909126	1	31	-2.0	-113.19	297.72	6.43	-106.76
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1	REAL300010909127	0	34	-2.0	-136.38	302.56	6.89	-129.49
CC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909128	1	34	-2.0	-127.18	287.32	6.83	-120.35
CC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)=CN1C	REAL300010909129	0	34	-2.0	-137.14	302.09	5.16	-131.98
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010909130	0	34	-2.0	-126.41	320.19	7.22	-119.19
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010909131	0	31	-2.0	-119.84	294.84	6.38	-113.46
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NON=C21	REAL300010909132	0	32	-2.0	-129.58	294.55	5.00	-124.58
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1F	REAL300010909133	1	34	-2.0	-123.24	305.77	6.93	-116.31
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010909134	1	34	-2.0	-116.46	322.87	7.30	-109.16
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010909135	0	36	-2.0	-145.50	315.81	7.14	-138.36
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010909136	0	34	-2.0	-125.61	307.30	7.56	-118.05
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010909137	0	31	-2.0	-133.72	297.37	6.72	-127.00
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010909138	0	31	-2.0	-116.32	292.75	6.82	-109.50
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909139	0	37	-2.0	-119.39	332.41	7.15	-112.24
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909140	0	34	-2.0	-136.50	302.56	6.88	-129.62
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300010909141	1	35	-2.0	-123.85	314.27	5.62	-118.23
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300010909142	1	34	-2.0	-131.75	305.28	6.95	-124.80
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010909143	1	31	-2.0	-118.50	305.56	6.91	-111.59
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300010909144	1	38	-2.0	-134.70	348.28	5.77	-128.93
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300010909145	1	47	-2.0	-133.70	381.81	9.37	-124.33
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1Cl	REAL300010909148	0	34	-2.0	-127.52	321.04	8.15	-119.37
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300010909150	1	41	-2.0	-134.17	341.58	7.75	-126.42
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(N)=O	REAL300010909151	1	38	-2.0	-123.76	329.57	3.70	-120.06
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(N)=O	REAL300010909152	1	39	-2.0	-126.40	340.37	3.63	-122.77
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909153	0	36	-2.0	-113.09	315.62	7.50	-105.59
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1	REAL300010909154	0	38	-2.0	-147.18	337.30	5.10	-142.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300010909155	1	36	-2.0	-128.10	310.06	7.32	-120.78
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300010909156	0	31	-2.0	-138.36	296.82	5.74	-132.62
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909157	1	34	-2.0	-131.12	306.38	6.98	-124.14
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909159	1	37	-2.0	-131.39	350.07	7.41	-123.98
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010909160	1	40	-2.0	-144.95	363.91	4.44	-140.51
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1F	REAL300010909161	1	38	-2.0	-135.04	339.33	5.26	-129.78
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C21	REAL300010909162	1	45	-2.0	-154.56	370.75	7.77	-146.79
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010909165	0	31	-2.0	-117.63	292.74	6.82	-110.81
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010909166	1	42	-2.0	-124.12	361.83	5.76	-118.36
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909168	0	45	-2.0	-133.74	386.40	5.49	-128.25
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909169	1	39	-2.0	-119.72	338.94	8.56	-111.16
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300010909170	1	43	-2.0	-131.91	360.03	8.92	-122.99
COCCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909171	1	41	-2.0	-130.27	355.44	6.75	-123.52
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909172	1	34	-2.0	-120.95	304.04	7.35	-113.60
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300010909177	1	35	-2.0	-124.82	324.08	6.10	-118.72
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010909178	1	35	-2.0	-126.55	333.83	6.37	-120.18
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909184	1	42	-2.0	-136.82	369.31	5.91	-130.91
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(Br)=C1	REAL300010909185	0	34	-2.0	-125.22	307.78	7.42	-117.80
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909186	0	37	-2.0	-130.67	331.80	8.18	-122.49
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010909187	1	36	-2.0	-134.83	319.53	6.63	-128.20
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909188	0	35	-2.0	-127.77	316.38	6.71	-121.06
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909189	1	35	-2.0	-120.51	313.00	7.30	-113.21
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300010909190	0	32	-2.0	-125.43	301.88	6.61	-118.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010909191	0	35	-2.0	-128.53	327.20	7.56	-120.97
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1OC	REAL300010909192	1	41	-2.0	-126.58	360.64	6.96	-119.62
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300010909193	1	40	-2.0	-126.05	349.79	7.43	-118.62
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010909194	1	40	-2.0	-133.07	347.55	6.31	-126.76
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=NN1C1=CC=CC=N1	REAL300010909195	0	40	-2.0	-130.69	347.00	7.54	-123.15
CCN1N=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1C	REAL300010909196	0	40	-2.0	-130.86	335.35	6.09	-124.77
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300010909197	0	37	-2.0	-124.70	323.31	5.33	-119.37
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300010909198	0	40	-2.0	-143.47	343.43	7.50	-135.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300010909199	0	37	-2.0	-143.00	324.32	6.63	-136.37
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300010909200	0	37	-2.0	-138.10	323.01	4.68	-133.42
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300010909201	1	43	-2.0	-123.20	330.62	8.71	-114.49
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010909202	1	39	-2.0	-134.72	344.40	5.67	-129.05
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010909203	0	38	-2.0	-135.82	343.51	7.52	-128.30
COC(=O)C1=C(F)C=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1F	REAL300010909204	0	37	-2.0	-131.28	343.42	6.94	-124.34
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(Cl)=C1Cl	REAL300010909205	0	35	-2.0	-123.96	334.11	6.56	-117.40
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=C(Br)S1	REAL300010909206	0	31	-2.0	-116.62	303.43	6.65	-109.97
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN1	REAL300010909207	0	35	-2.0	-125.42	321.96	4.60	-120.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010909208	1	32	-2.0	-116.05	314.76	7.06	-108.99
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1C	REAL300010909209	0	39	-2.0	-139.09	326.55	9.03	-130.06
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909210	0	37	-2.0	-125.63	339.89	7.29	-118.34
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909211	1	40	-2.0	-132.45	348.10	4.35	-128.10
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010909212	1	32	-2.0	-115.98	314.78	7.05	-108.93
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909213	1	47	-2.0	-127.75	390.21	7.96	-119.79
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010909214	1	42	-2.0	-149.39	366.61	6.22	-143.17
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])O1	REAL300010909215	0	34	-2.0	-127.91	318.10	5.05	-122.86
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909216	0	37	-2.0	-125.59	336.76	5.70	-119.89
CC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010909217	0	33	-2.0	-122.83	305.50	4.62	-118.21
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010909218	0	33	-2.0	-146.85	301.52	7.90	-138.95
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(C)N1	REAL300010909220	0	44	-2.0	-124.54	373.02	6.89	-117.65
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010909221	0	31	-2.0	-127.51	298.00	7.18	-120.33
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])S2)=CS1	REAL300010909222	0	37	-2.0	-129.89	358.33	6.80	-123.09
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909223	1	40	-2.0	-125.88	342.01	7.50	-118.38
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010909224	0	33	-2.0	-132.89	310.55	8.51	-124.38
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1OC	REAL300010909225	0	39	-2.0	-130.20	342.92	5.51	-124.69
COC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1OC	REAL300010909226	1	42	-2.0	-124.39	346.75	6.05	-118.34
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010909227	0	34	-2.0	-130.34	318.22	7.17	-123.17
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1C#N	REAL300010909228	0	32	-2.0	-129.62	294.88	6.61	-123.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010909229	0	32	-2.0	-130.40	305.21	7.08	-123.32
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Br	REAL300010909231	1	34	-2.0	-130.87	318.06	7.44	-123.43
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C	REAL300010909232	1	34	-2.0	-124.86	296.41	6.96	-117.90
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300010909233	0	37	-2.0	-129.38	337.89	5.01	-124.37
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010909234	1	37	-2.0	-127.33	327.64	8.81	-118.52
CC1=C(Br)SC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909235	0	31	-2.0	-125.13	312.07	6.58	-118.55
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300010909236	1	35	-2.0	-134.85	321.13	7.41	-127.44
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC(F)=C1F	REAL300010909237	1	37	-2.0	-115.78	344.17	6.98	-108.80
CC1=NC2=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=CC=C2C=C1	REAL300010909238	0	39	-2.0	-147.31	340.23	7.50	-139.81
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010909239	0	42	-2.0	-125.96	356.20	4.78	-121.18
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1Br	REAL300010909240	0	34	-2.0	-126.24	304.57	7.32	-118.92
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909241	0	37	-2.0	-135.50	325.08	7.65	-127.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010909242	0	39	-2.0	-127.01	336.59	4.00	-123.01
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010909243	0	37	-2.0	-117.99	334.08	6.99	-111.00
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909244	1	37	-2.0	-119.47	326.39	7.84	-111.63
COCCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300010909245	0	38	-2.0	-121.95	338.29	3.86	-118.09
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300010909246	1	44	-2.0	-136.70	367.25	8.70	-128.00
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909247	0	41	-2.0	-134.93	344.15	7.85	-127.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010909248	1	36	-2.0	-135.38	326.83	6.42	-128.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010909249	0	38	-2.0	-130.78	339.10	7.36	-123.42
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300010909250	0	32	-2.0	-139.28	294.41	6.59	-132.69
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010909253	0	33	-2.0	-138.39	306.87	8.40	-129.99
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1F	REAL300010909254	1	37	-2.0	-119.96	337.89	6.92	-113.04
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909255	0	41	-2.0	-132.30	358.86	7.16	-125.14
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909256	0	34	-2.0	-124.26	326.94	5.91	-118.35
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909257	1	43	-2.0	-127.06	359.75	8.04	-119.02
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1C	REAL300010909258	1	40	-2.0	-131.09	349.80	7.42	-123.67
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909259	0	37	-2.0	-132.41	335.87	6.86	-125.55
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010909260	1	41	-2.0	-133.58	328.84	8.68	-124.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010909261	0	30	-2.0	-121.29	294.88	5.06	-116.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010909262	1	35	-2.0	-125.34	335.26	7.70	-117.64
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010909263	1	31	-2.0	-118.25	305.56	6.91	-111.34
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010909264	1	38	-2.0	-146.35	343.17	4.11	-142.24
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300010909265	1	34	-2.0	-125.17	309.19	7.45	-117.72
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909267	1	40	-2.0	-137.65	360.72	4.66	-132.99
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010909268	1	33	-2.0	-122.20	326.80	6.15	-116.05
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909269	0	36	-2.0	-132.42	325.58	7.03	-125.39
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010909270	1	32	-2.0	-120.75	320.68	7.25	-113.50
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010909272	0	36	-2.0	-122.97	329.23	1.71	-121.26
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909274	0	36	-2.0	-125.81	330.49	6.27	-119.54
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(F)=C1	REAL300010909275	0	30	-2.0	-120.43	279.96	4.54	-115.89
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010909276	1	36	-2.0	-129.89	314.53	5.54	-124.35
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010909278	1	41	-2.0	-124.12	359.30	7.15	-116.97
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909282	0	40	-2.0	-137.53	338.04	8.19	-129.34
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010909283	0	35	-2.0	-126.27	313.98	6.75	-119.52
CSC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909284	1	35	-2.0	-128.39	319.07	7.26	-121.13
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909285	1	43	-2.0	-123.45	377.01	8.63	-114.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010909287	0	30	-2.0	-119.42	297.31	5.21	-114.21
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010909288	0	37	-2.0	-135.75	321.84	5.85	-129.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300010909289	1	36	-2.0	-128.23	308.34	6.50	-121.73
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909290	1	34	-2.0	-121.01	308.61	7.46	-113.55
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010909291	1	39	-2.0	-127.65	338.37	5.43	-122.22
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300010909292	1	47	-2.0	-131.97	394.38	7.16	-124.81
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1OCC	REAL300010909293	1	45	-2.0	-129.26	380.99	7.29	-121.97
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300010909295	0	37	-2.0	-124.23	316.14	5.32	-118.91
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010909296	1	36	-2.0	-131.46	333.06	1.20	-130.26
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010909297	1	42	-2.0	-142.75	356.76	7.37	-135.38
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])=CC=C21	REAL300010909298	1	45	-2.0	-143.64	370.61	7.72	-135.92
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1C	REAL300010909299	1	39	-2.0	-117.35	332.56	8.04	-109.31
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909300	1	37	-2.0	-123.98	333.65	6.91	-117.07
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])=CC=C21	REAL300010909301	1	42	-2.0	-145.42	357.81	7.30	-138.12
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909302	1	38	-2.0	-126.65	335.31	4.53	-122.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300010909303	1	35	-2.0	-126.32	313.38	3.03	-123.29
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2CC1C	REAL300010909304	1	45	-2.0	-137.26	372.94	7.81	-129.45
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=CS1	REAL300010909305	0	34	-2.0	-136.43	310.66	6.60	-129.83
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010909306	0	34	-2.0	-121.92	326.77	6.01	-115.91
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010909307	1	35	-2.0	-114.49	335.20	7.43	-107.06
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909308	0	37	-2.0	-144.12	331.58	4.86	-139.26
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010909309	1	37	-2.0	-124.54	335.08	3.24	-121.30
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010909310	1	37	-2.0	-124.36	329.29	3.47	-120.89
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010909311	0	37	-2.0	-125.39	340.78	3.98	-121.41
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])=C2N=C1	REAL300010909312	0	39	-2.0	-146.73	337.21	7.78	-138.95
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010909313	0	37	-2.0	-139.12	323.29	7.31	-131.81
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909314	0	35	-2.0	-125.96	320.92	7.00	-118.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010909315	0	35	-2.0	-130.47	320.86	6.95	-123.52
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010909316	1	36	-2.0	-133.30	332.74	1.20	-132.10
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909317	1	37	-2.0	-130.97	333.35	6.90	-124.07
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(Cl)=C1	REAL300010909319	0	34	-2.0	-128.33	306.63	7.30	-121.03
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010909320	1	37	-2.0	-135.07	334.05	2.63	-132.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010909321	1	37	-2.0	-137.21	339.58	3.76	-133.45
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010909322	1	38	-2.0	-127.95	344.40	5.51	-122.44
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C2=CC=CN=C12	REAL300010909324	1	39	-2.0	-133.69	332.28	7.39	-126.30
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010909325	1	37	-2.0	-131.18	332.67	6.20	-124.98
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010909326	1	36	-2.0	-121.41	326.24	7.75	-113.66
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300010909327	0	39	-2.0	-143.92	337.72	8.96	-134.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010909328	1	35	-2.0	-123.02	324.55	6.04	-116.98
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300010909329	1	42	-2.0	-141.45	374.36	4.25	-137.20
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010909330	0	31	-2.0	-119.21	291.60	6.70	-112.51
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010909331	0	33	-2.0	-133.39	310.54	8.52	-124.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010909332	0	43	-2.0	-144.92	364.49	5.58	-139.34
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010909333	1	41	-2.0	-116.95	335.89	9.69	-107.26
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909334	1	40	-2.0	-130.38	355.21	7.82	-122.56
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010909335	1	31	-2.0	-123.58	295.61	6.76	-116.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010909336	1	31	-2.0	-123.72	300.17	6.86	-116.86
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010909337	0	33	-2.0	-116.88	307.10	6.91	-109.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010909338	1	37	-2.0	-136.39	324.50	8.53	-127.86
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909339	1	38	-2.0	-133.42	335.33	5.13	-128.29
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909340	1	36	-2.0	-116.77	315.61	7.50	-109.27
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010909342	0	33	-2.0	-142.61	300.03	7.71	-134.90
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909343	1	34	-2.0	-133.00	300.27	6.93	-126.07
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1F	REAL300010909345	0	31	-2.0	-126.68	287.54	6.28	-120.40
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300010909346	1	31	-2.0	-122.41	285.28	6.30	-116.11
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1	REAL300010909347	1	31	-2.0	-125.35	284.96	6.31	-119.04
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010909348	0	31	-2.0	-121.30	291.38	6.39	-114.91
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010909349	1	37	-2.0	-130.88	323.04	5.40	-125.48
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909351	1	46	-2.0	-128.97	363.60	9.15	-119.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010909352	1	31	-2.0	-119.34	310.47	7.22	-112.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010909353	1	31	-2.0	-117.03	291.26	6.36	-110.67
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010909354	0	31	-2.0	-121.11	301.94	7.15	-113.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010909355	1	34	-2.0	-124.32	317.29	7.25	-117.07
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010909357	0	34	-2.0	-134.80	301.01	7.47	-127.33
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1F	REAL300010909358	0	31	-2.0	-136.21	281.17	6.21	-130.00
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010909359	1	34	-2.0	-117.59	330.45	7.66	-109.93
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010909360	1	31	-2.0	-125.77	295.28	6.76	-119.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010909361	0	34	-2.0	-119.50	324.28	7.65	-111.85
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909362	1	36	-2.0	-126.32	321.63	6.73	-119.59
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909363	1	37	-2.0	-128.04	308.73	7.50	-120.54
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300010909364	1	37	-2.0	-135.34	316.98	7.45	-127.89
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010909365	1	31	-2.0	-117.99	301.14	6.81	-111.18
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909366	1	36	-2.0	-138.26	321.33	6.72	-131.54
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2)=CO1	REAL300010909368	1	40	-2.0	-131.89	355.27	5.31	-126.58
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010909369	0	30	-2.0	-115.36	305.64	5.34	-110.02
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010909370	0	34	-2.0	-132.81	308.81	6.63	-126.18
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909371	0	35	-2.0	-127.27	314.67	5.93	-121.34
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909372	1	40	-2.0	-136.27	355.83	7.68	-128.59
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=N2)C=C1	REAL300010909373	0	41	-2.0	-127.69	360.51	8.04	-119.65
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C21	REAL300010909374	1	42	-2.0	-151.06	357.73	7.30	-143.76
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010909375	0	32	-2.0	-137.08	303.90	6.96	-130.12
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909376	1	35	-2.0	-118.83	308.05	7.23	-111.60
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)N(C)C	REAL300010909377	1	45	-2.0	-127.52	382.70	5.57	-121.95
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300010909378	1	39	-2.0	-126.22	352.33	7.36	-118.86
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010909379	0	36	-2.0	-118.90	323.12	7.43	-111.47
COC(=O)C1=COC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909380	0	34	-2.0	-128.31	318.77	5.00	-123.31
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300010909381	0	42	-2.0	-137.14	366.30	7.01	-130.13
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010909382	0	33	-2.0	-130.17	310.85	5.72	-124.45
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909383	1	41	-2.0	-138.23	357.30	6.91	-131.32
COC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])SC=C1	REAL300010909384	0	32	-2.0	-136.40	301.06	4.52	-131.88
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1C	REAL300010909385	1	41	-2.0	-158.93	351.96	5.99	-152.94
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010909386	1	43	-2.0	-136.73	352.82	6.81	-129.92
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN=C1Cl	REAL300010909387	0	33	-2.0	-119.86	309.21	5.47	-114.39
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010909388	1	37	-2.0	-126.21	329.94	5.31	-120.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010909389	0	40	-2.0	-131.88	351.89	7.89	-123.99
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1C#N	REAL300010909390	0	35	-2.0	-141.43	307.77	7.07	-134.36
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909391	1	39	-2.0	-136.51	337.54	4.85	-131.66
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1CC	REAL300010909392	1	43	-2.0	-134.67	355.61	8.81	-125.86
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300010909393	1	39	-2.0	-115.87	334.33	8.47	-107.40
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(C)O1	REAL300010909394	0	37	-2.0	-116.11	332.83	5.72	-110.39
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010909395	0	32	-2.0	-113.99	295.51	4.20	-109.79
CC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010909396	0	30	-2.0	-124.47	287.42	4.06	-120.41
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909397	0	33	-2.0	-132.76	304.02	5.05	-127.71
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC(C)=C1F	REAL300010909398	1	37	-2.0	-124.77	325.75	7.58	-117.19
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010909399	1	39	-2.0	-152.74	338.14	4.70	-148.04
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN1C	REAL300010909400	0	38	-2.0	-128.91	339.72	6.36	-122.55
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010909401	1	31	-2.0	-120.80	301.70	6.84	-113.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010909402	0	30	-2.0	-121.22	290.31	4.96	-116.26
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300010909403	1	42	-2.0	-125.20	361.33	8.08	-117.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300010909405	0	36	-2.0	-127.32	320.47	2.43	-124.89
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909406	1	34	-2.0	-119.61	304.12	7.34	-112.27
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN1C	REAL300010909407	0	39	-2.0	-128.26	342.35	3.91	-124.35
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010909409	0	39	-2.0	-125.88	344.98	5.82	-120.06
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010909410	1	42	-2.0	-129.15	354.03	6.38	-122.77
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])O1	REAL300010909412	0	37	-2.0	-128.58	339.96	5.98	-122.60
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010909413	1	42	-2.0	-135.68	362.77	10.36	-125.32
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010909417	1	35	-2.0	-130.30	316.92	6.61	-123.69
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010909418	0	34	-2.0	-126.89	312.46	8.11	-118.78
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300010909419	0	36	-2.0	-141.37	311.99	8.65	-132.72
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010909420	0	28	-2.0	-124.88	291.20	5.80	-119.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010909421	1	35	-2.0	-119.11	316.87	6.61	-112.50
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300010909422	1	39	-2.0	-130.14	327.30	7.56	-122.58
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010909424	0	39	-2.0	-128.41	344.02	5.49	-122.92
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010909425	1	36	-2.0	-134.33	313.91	6.71	-127.62
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909426	0	40	-2.0	-140.96	358.92	4.77	-136.19
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010909427	0	36	-2.0	-137.40	320.14	7.12	-130.28
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010909428	0	33	-2.0	-131.43	312.12	7.58	-123.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010909429	0	33	-2.0	-121.76	313.68	6.97	-114.79
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909432	1	39	-2.0	-138.13	341.64	7.51	-130.62
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010909433	0	41	-2.0	-125.54	364.51	7.81	-117.73
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(F)C=C1F	REAL300010909438	0	34	-2.0	-127.21	307.89	6.91	-120.30
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300010909439	1	43	-2.0	-129.42	369.25	7.77	-121.65
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2F)N=C1	REAL300010909440	1	41	-2.0	-126.75	362.15	8.10	-118.65
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010909441	0	38	-2.0	-129.76	356.73	5.33	-124.43
CC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300010909443	0	34	-2.0	-129.37	310.93	7.01	-122.36
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010909444	0	36	-2.0	-118.06	329.71	7.82	-110.24
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)OC2=CC=C(F)C=C12	REAL300010909445	0	37	-2.0	-130.60	334.05	7.45	-123.15
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010909446	0	31	-2.0	-136.34	287.48	6.28	-130.06
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Br)=CC=C1F	REAL300010909447	0	31	-2.0	-128.24	302.43	6.84	-121.40
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(F)(F)F	REAL300010909448	1	37	-2.0	-130.89	332.98	7.77	-123.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300010909449	0	37	-2.0	-132.46	352.29	6.95	-125.51
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C)C=C12	REAL300010909450	1	39	-2.0	-123.82	344.87	5.97	-117.85
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C)C=C12	REAL300010909451	0	35	-2.0	-116.05	318.31	3.22	-112.83
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010909452	1	40	-2.0	-132.64	360.42	9.08	-123.56
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300010909453	0	31	-2.0	-119.73	294.50	4.78	-114.95
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909454	0	37	-2.0	-130.21	321.46	7.74	-122.47
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300010909455	0	34	-2.0	-123.19	305.13	4.79	-118.40
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C(=O)NC(=O)N2C	REAL300010909457	0	39	-2.0	-124.06	347.91	3.71	-120.35
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1F	REAL300010909458	1	40	-2.0	-119.18	360.26	7.84	-111.34
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300010909459	0	39	-2.0	-140.42	344.49	6.88	-133.54
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300010909460	0	34	-2.0	-127.79	334.55	8.18	-119.61
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C2=CC(Cl)=CC=C2S1	REAL300010909461	0	37	-2.0	-133.98	346.40	9.16	-124.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300010909462	0	34	-2.0	-130.86	327.23	7.99	-122.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010909463	0	37	-2.0	-135.33	327.10	9.23	-126.10
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010909464	1	37	-2.0	-137.89	333.76	8.93	-128.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)C(F)=C1	REAL300010909465	0	37	-2.0	-127.17	343.65	3.79	-123.38
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010909467	0	32	-2.0	-125.21	307.82	6.92	-118.29
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1N(C)C	REAL300010909468	1	42	-2.0	-135.58	353.17	6.90	-128.68
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)N1C	REAL300010909469	0	31	-2.0	-115.16	294.28	5.15	-110.01
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909470	1	36	-2.0	-110.35	327.98	7.87	-102.48
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)C(Cl)=N1	REAL300010909471	0	31	-2.0	-127.92	298.73	5.10	-122.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N	REAL300010909472	0	34	-2.0	-144.60	313.25	6.98	-137.62
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909473	0	37	-2.0	-129.45	331.80	8.17	-121.28
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909474	0	43	-2.0	-126.78	352.93	6.78	-120.00
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300010909476	1	37	-2.0	-144.55	339.56	3.77	-140.78
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909477	0	39	-2.0	-145.64	337.15	7.79	-137.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300010909478	0	34	-2.0	-157.49	307.00	5.45	-152.04
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909479	1	41	-2.0	-133.09	355.91	5.94	-127.15
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1Cl	REAL300010909480	0	31	-2.0	-120.67	291.61	6.70	-113.97
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300010909483	0	35	-2.0	-119.77	330.75	6.49	-113.28
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909484	1	43	-2.0	-126.54	359.07	4.94	-121.60
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CS1	REAL300010909485	0	34	-2.0	-124.67	325.81	5.92	-118.75
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1C	REAL300010909486	1	40	-2.0	-134.89	336.51	7.36	-127.53
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300010909487	0	43	-2.0	-126.42	356.12	6.81	-119.61
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010909488	0	33	-2.0	-121.95	306.78	6.91	-115.04
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909489	1	34	-2.0	-133.23	299.97	6.91	-126.32
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C#N	REAL300010909490	0	32	-2.0	-139.50	288.60	6.56	-132.94
COC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909492	0	38	-2.0	-134.34	325.61	7.15	-127.19
CC1=NNC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300010909494	0	34	-2.0	-125.22	294.92	4.07	-121.15
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)OC2=C1	REAL300010909496	1	34	-2.0	-127.89	310.80	3.74	-124.15
COCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909498	1	38	-2.0	-133.19	333.62	5.96	-127.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N=C2SC=CN21	REAL300010909499	0	31	-2.0	-130.17	310.95	6.36	-123.81
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300010909500	0	37	-2.0	-133.99	344.98	6.95	-127.04
CCC1=CC=CC(CC)=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909501	1	43	-2.0	-129.25	337.44	9.31	-119.94
CC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])SC=C1	REAL300010909502	0	31	-2.0	-129.99	289.63	5.88	-124.11
CC1=CC(Br)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010909503	0	31	-2.0	-126.50	312.90	6.61	-119.89
CCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909505	1	37	-2.0	-133.24	321.45	7.67	-125.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1	REAL300010909506	1	35	-2.0	-125.10	331.33	5.11	-119.99
CC1=NN2C=C(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C)C=NC2=C1Cl	REAL300010909510	0	36	-2.0	-119.00	339.55	6.21	-112.79
CCCN1C=NC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909511	0	37	-2.0	-138.31	326.54	6.99	-131.32
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010909512	0	31	-2.0	-116.20	305.77	6.73	-109.47
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C3=C(C=CC=C31)C(=O)N2C	REAL300010909514	1	42	-2.0	-127.74	358.63	8.02	-119.72
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010909516	1	36	-2.0	-113.61	332.09	7.56	-106.05
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909517	0	37	-2.0	-128.44	321.47	7.74	-120.70
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC=CC(Cl)=C12	REAL300010909518	0	34	-2.0	-139.81	307.94	5.93	-133.88
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909519	0	34	-2.0	-125.38	307.78	7.42	-117.96
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909520	0	34	-2.0	-128.57	306.63	7.30	-121.27
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010909522	0	30	-2.0	-124.67	296.36	5.65	-119.02
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O	REAL300010909523	0	39	-2.0	-146.07	353.21	4.98	-141.09
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010909524	0	30	-2.0	-113.35	297.92	5.28	-108.07
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])N=C1C	REAL300010909525	0	37	-2.0	-137.46	324.10	6.07	-131.39
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300010909526	0	36	-2.0	-121.56	329.79	5.06	-116.50
CC1=C(C)SC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909529	0	34	-2.0	-131.44	311.67	6.63	-124.81
COCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909530	1	38	-2.0	-131.16	333.95	5.97	-125.19
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1Cl	REAL300010909531	0	34	-2.0	-129.44	303.95	7.21	-122.23
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(C)O1	REAL300010909532	0	34	-2.0	-123.33	298.04	5.76	-117.57
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2)CC1	REAL300010909533	1	44	-2.0	-129.72	377.23	8.86	-120.86
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300010909535	1	34	-2.0	-130.00	305.10	4.89	-125.11
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300010909536	0	39	-2.0	-139.76	325.49	7.89	-131.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300010909537	0	37	-2.0	-133.49	322.27	8.10	-125.39
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300010909538	1	44	-2.0	-140.78	365.20	7.38	-133.40
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300010909540	0	37	-2.0	-120.67	347.16	4.33	-116.34
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909541	1	40	-2.0	-130.05	361.61	7.89	-122.16
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909542	1	38	-2.0	-128.56	325.69	6.24	-122.32
CCC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C(C(=O)OC)O1	REAL300010909543	0	40	-2.0	-116.20	353.55	6.53	-109.67
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C=C1Cl	REAL300010909544	0	32	-2.0	-118.29	305.91	7.02	-111.27
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN2CCCCC2=N1	REAL300010909545	0	38	-2.0	-142.96	325.00	6.28	-136.68
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1F	REAL300010909549	0	34	-2.0	-137.97	301.46	6.87	-131.10
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300010909550	0	37	-2.0	-125.05	327.59	3.87	-121.18
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300010909552	0	33	-2.0	-116.16	313.58	5.49	-110.67
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])SC=N1	REAL300010909553	0	33	-2.0	-136.92	316.22	4.24	-132.68
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909554	1	37	-2.0	-130.28	339.75	6.96	-123.32
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C)=C1F	REAL300010909555	1	38	-2.0	-125.40	321.97	6.18	-119.22
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300010909557	0	46	-2.0	-126.49	368.47	7.17	-119.32
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909558	0	39	-2.0	-122.96	343.28	8.33	-114.63
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909559	1	39	-2.0	-126.56	333.84	8.11	-118.45
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010909560	0	28	-2.0	-127.79	282.94	4.98	-122.81
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN1C	REAL300010909563	0	41	-2.0	-128.39	361.59	7.29	-121.10
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C12	REAL300010909564	0	38	-2.0	-116.18	339.80	3.96	-112.22
CCC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010909565	0	33	-2.0	-125.38	308.90	4.83	-120.55
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010909566	1	43	-2.0	-128.44	362.91	7.68	-120.76
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010909567	0	31	-2.0	-129.75	294.92	7.03	-122.72
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(Cl)=N1	REAL300010909568	0	33	-2.0	-125.99	307.05	5.51	-120.48
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909569	0	36	-2.0	-123.65	324.96	6.90	-116.75
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010909570	0	38	-2.0	-125.05	339.83	7.75	-117.30
CSC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300010909571	1	35	-2.0	-125.07	333.76	7.72	-117.35
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)S1	REAL300010909572	0	33	-2.0	-119.08	317.02	6.58	-112.50
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN=C1Cl	REAL300010909574	0	34	-2.0	-117.62	319.41	4.22	-113.40
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])=CC=C21	REAL300010909575	1	40	-2.0	-131.17	354.48	7.20	-123.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010909576	0	30	-2.0	-124.68	299.72	6.01	-118.67
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909580	1	34	-2.0	-119.74	308.70	7.45	-112.29
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010909581	0	35	-2.0	-146.13	309.79	6.15	-139.98
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010909582	0	31	-2.0	-127.83	302.43	6.84	-120.99
COC1=CC=CC(OC)=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909583	0	39	-2.0	-143.66	332.53	6.70	-136.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1F	REAL300010909586	0	34	-2.0	-126.95	292.60	7.05	-119.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2CCCN12	REAL300010909587	0	35	-2.0	-135.29	305.55	5.64	-129.65
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010909588	0	32	-2.0	-119.06	305.95	7.02	-112.04
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010909589	0	34	-2.0	-120.20	323.01	5.29	-114.91
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300010909591	1	36	-2.0	-123.25	322.91	5.37	-117.88
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909592	1	37	-2.0	-125.07	302.84	7.55	-117.52
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909593	1	39	-2.0	-129.96	345.57	4.46	-125.50
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010909594	1	34	-2.0	-120.01	334.02	7.76	-112.25
COC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010909595	1	37	-2.0	-120.85	342.53	7.06	-113.79
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010909597	0	34	-2.0	-119.77	316.46	5.14	-114.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300010909599	0	39	-2.0	-146.42	333.78	7.68	-138.74
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010909600	1	34	-2.0	-135.03	312.73	7.18	-127.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010909601	0	34	-2.0	-125.76	319.87	7.22	-118.54
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909602	1	34	-2.0	-129.92	321.26	7.52	-122.40
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909603	0	35	-2.0	-129.77	307.55	7.11	-122.66
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300010909604	0	42	-2.0	-146.13	357.29	6.01	-140.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010909605	0	39	-2.0	-125.39	347.97	7.52	-117.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300010909606	1	39	-2.0	-135.21	330.06	6.64	-128.57
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(OC)=C1	REAL300010909607	0	41	-2.0	-128.40	358.91	7.16	-121.24
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C)=CS1	REAL300010909608	0	37	-2.0	-134.13	329.27	7.13	-127.00
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1F	REAL300010909609	1	35	-2.0	-122.19	314.28	5.62	-116.57
COCCOC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909610	0	42	-2.0	-128.30	357.22	7.22	-121.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300010909611	1	40	-2.0	-125.87	322.54	7.97	-117.90
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909612	0	39	-2.0	-126.15	343.26	8.32	-117.83
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909616	1	43	-2.0	-125.37	363.87	8.42	-116.95
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010909617	0	31	-2.0	-120.17	307.32	7.18	-112.99
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909618	0	31	-2.0	-124.57	307.85	6.48	-118.09
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1	REAL300010909620	0	35	-2.0	-134.08	310.61	5.51	-128.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300010909621	0	39	-2.0	-132.75	336.92	9.28	-123.47
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010909622	1	37	-2.0	-130.35	339.87	8.02	-122.33
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300010909624	0	33	-2.0	-126.51	295.46	5.08	-121.43
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010909625	0	36	-2.0	-133.87	320.25	6.60	-127.27
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010909627	1	39	-2.0	-118.44	331.76	8.01	-110.43
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010909628	0	30	-2.0	-114.90	296.29	4.94	-109.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CN=C1C#N	REAL300010909629	0	31	-2.0	-136.64	283.65	4.72	-131.92
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010909630	0	31	-2.0	-127.20	299.63	6.66	-120.54
COC1=CC(C)=CC(C)=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909632	0	41	-2.0	-137.24	340.38	7.89	-129.35
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=N1	REAL300010909633	0	34	-2.0	-124.65	305.73	2.93	-121.72
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1C#N	REAL300010909634	1	35	-2.0	-121.99	318.52	7.13	-114.86
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300010909635	0	37	-2.0	-120.56	337.87	6.94	-113.62
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909636	0	35	-2.0	-127.40	320.92	7.00	-120.40
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010909637	0	32	-2.0	-127.75	306.06	5.02	-122.73
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300010909640	1	45	-2.0	-135.89	370.51	8.28	-127.61
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909641	1	38	-2.0	-127.21	316.79	6.13	-121.08
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909642	0	36	-2.0	-124.68	328.51	5.10	-119.58
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010909643	1	32	-2.0	-116.16	319.05	7.15	-109.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300010909645	1	38	-2.0	-128.73	328.97	6.08	-122.65
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1OC	REAL300010909646	0	39	-2.0	-126.97	348.83	5.96	-121.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010909647	1	35	-2.0	-125.22	324.03	5.89	-119.33
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010909648	1	34	-2.0	-121.53	322.88	7.30	-114.23
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300010909649	1	42	-2.0	-134.85	370.78	3.23	-131.62
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010909650	0	36	-2.0	-131.79	335.63	1.87	-129.92
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1	REAL300010909651	0	37	-2.0	-131.18	335.85	6.88	-124.30
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909652	0	39	-2.0	-132.61	348.17	7.91	-124.70
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-])OCO2	REAL300010909653	1	37	-2.0	-120.65	313.29	5.50	-115.15
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909654	0	37	-2.0	-132.11	330.82	7.27	-124.84
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010909655	0	31	-2.0	-120.23	301.94	7.14	-113.09
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C(N)=NO1	REAL300010909657	0	32	-2.0	-115.25	286.30	3.61	-111.64
COC1=CC2=C(C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-])OCC(=O)N2	REAL300010909658	0	41	-2.0	-127.38	354.88	3.74	-123.64
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)S1	REAL300010909659	0	29	-2.0	-117.52	291.22	5.80	-111.72
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010909660	0	33	-2.0	-115.40	321.84	7.26	-108.14
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010909661	0	31	-2.0	-116.72	308.51	7.63	-109.09
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010909662	0	32	-2.0	-133.25	303.48	4.56	-128.69
COC1=CN=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909663	0	34	-2.0	-127.68	303.13	3.72	-123.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010909664	0	31	-2.0	-133.05	301.78	6.82	-126.23
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1OC	REAL300010909665	0	41	-2.0	-125.52	360.63	6.97	-118.55
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010909667	0	34	-2.0	-136.78	323.37	3.74	-133.04
CC(=O)[N-]C1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010909667	1	33	-3.0	-203.01	320.54	2.60	-200.41
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010909669	1	35	-2.0	-138.39	329.81	3.53	-134.86
CCOC(=O)C1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909671	0	40	-2.0	-135.55	339.38	8.62	-126.93
CCOC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909673	1	38	-2.0	-132.45	329.91	6.47	-125.98
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010909674	0	42	-2.0	-144.11	355.27	7.65	-136.46
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010909675	1	35	-2.0	-120.07	335.22	7.43	-112.64
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010909676	0	34	-2.0	-132.58	305.32	4.89	-127.69
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010909677	0	32	-2.0	-136.17	308.18	7.06	-129.11
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909678	1	37	-2.0	-117.76	326.46	7.85	-109.91
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010909679	0	37	-2.0	-140.67	338.22	7.73	-132.94
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909680	0	41	-2.0	-137.01	364.89	4.00	-133.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010909681	0	31	-2.0	-133.40	300.87	7.10	-126.30
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909682	0	40	-2.0	-128.73	349.61	8.84	-119.89
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300010909683	0	40	-2.0	-128.28	345.44	8.55	-119.73
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010909685	0	31	-2.0	-128.29	297.87	6.73	-121.56
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(F)C=C1C	REAL300010909689	0	43	-2.0	-129.96	376.90	8.43	-121.53
COCCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909690	1	45	-2.0	-137.91	390.10	4.44	-133.47
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909691	0	42	-2.0	-135.36	359.26	6.20	-129.16
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909692	0	44	-2.0	-131.72	380.73	8.08	-123.64
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1C	REAL300010909693	1	43	-2.0	-132.19	371.67	8.35	-123.84
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010909694	0	34	-2.0	-131.48	310.45	7.49	-123.99
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909695	1	43	-2.0	-137.57	377.37	8.60	-128.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010909696	0	34	-2.0	-127.53	317.74	7.99	-119.54
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)N(C)N=C1	REAL300010909700	0	34	-2.0	-122.01	294.15	4.67	-117.34
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909701	0	40	-2.0	-131.69	357.74	7.79	-123.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010909702	1	41	-2.0	-135.83	352.76	9.66	-126.17
CCOC(=O)C(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN1C	REAL300010909704	0	43	-2.0	-126.31	380.57	7.47	-118.84
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)O1	REAL300010909705	0	29	-2.0	-125.32	282.48	4.80	-120.52
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010909706	0	35	-2.0	-135.22	326.48	7.04	-128.18
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010909707	1	34	-2.0	-128.48	311.06	7.11	-121.37
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300010909708	0	33	-2.0	-117.54	299.49	5.44	-112.10
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300010909709	0	34	-2.0	-126.45	298.20	4.53	-121.92
CC1=NC(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)=C(Br)N1C	REAL300010909710	0	34	-2.0	-139.18	321.64	5.66	-133.52
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010909711	0	32	-2.0	-115.23	301.93	5.11	-110.12
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909712	1	44	-2.0	-140.36	372.92	7.12	-133.24
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010909713	1	46	-2.0	-133.27	391.91	9.06	-124.21
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909714	1	43	-2.0	-134.64	382.54	5.45	-129.19
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010909715	1	36	-2.0	-129.70	325.48	3.43	-126.27
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909716	1	38	-2.0	-129.59	350.36	6.48	-123.11
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(C#N)=C1	REAL300010909717	0	31	-2.0	-118.27	294.41	4.86	-113.41
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010909718	1	37	-2.0	-123.57	332.99	7.76	-115.81
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909719	1	40	-2.0	-137.79	355.51	7.68	-130.11
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010909720	0	33	-2.0	-139.17	309.73	5.66	-133.51
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010909724	0	31	-2.0	-120.79	311.47	6.44	-114.35
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909726	1	44	-2.0	-139.58	388.41	6.61	-132.97
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=NN1C	REAL300010909727	0	34	-2.0	-120.58	295.42	4.39	-116.19
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN=C1C	REAL300010909728	0	39	-2.0	-122.69	345.22	5.58	-117.11
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010909729	0	35	-2.0	-133.15	326.99	6.02	-127.13
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909730	1	40	-2.0	-131.11	371.93	8.33	-122.78
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010909731	1	32	-2.0	-115.51	305.26	6.70	-108.81
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010909733	0	34	-2.0	-131.91	311.51	6.68	-125.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010909734	0	33	-2.0	-115.82	325.96	5.99	-109.83
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010909735	1	40	-2.0	-129.00	343.36	7.84	-121.16
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010909736	0	32	-2.0	-129.79	310.51	5.58	-124.21
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010909738	0	34	-2.0	-129.38	309.77	4.90	-124.48
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010909739	0	33	-2.0	-123.85	316.27	8.57	-115.28
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(F)C=C1C	REAL300010909740	0	40	-2.0	-129.29	355.15	7.49	-121.80
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300010909741	0	28	-2.0	-127.99	277.17	5.29	-122.70
CC1=CC2=CC(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])=CC=C2N=C1Cl	REAL300010909743	1	39	-2.0	-124.49	355.53	7.63	-116.86
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010909745	0	36	-2.0	-134.85	330.39	7.57	-127.28
COC(=O)C1=NC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909747	0	36	-2.0	-134.83	322.94	5.14	-129.69
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909748	1	38	-2.0	-127.38	346.78	6.54	-120.84
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010909749	1	38	-2.0	-132.22	328.11	8.34	-123.88
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010909752	0	34	-2.0	-126.42	315.23	6.70	-119.72
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010909753	0	34	-2.0	-130.18	331.60	8.11	-122.07
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010909755	0	34	-2.0	-138.69	304.83	6.84	-131.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300010909757	0	28	-2.0	-123.07	273.49	2.98	-120.09
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2C=C1	REAL300010909758	1	40	-2.0	-136.47	346.35	9.17	-127.30
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010909759	0	28	-2.0	-125.79	286.87	5.70	-120.09
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909760	1	40	-2.0	-120.80	356.09	7.91	-112.89
CC1=CSC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909761	0	31	-2.0	-128.74	292.46	5.91	-122.83
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1	REAL300010909762	1	44	-2.0	-132.23	375.26	6.60	-125.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010909764	0	37	-2.0	-138.69	329.23	8.56	-130.13
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010909766	1	36	-2.0	-131.71	314.33	6.08	-125.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010909767	1	38	-2.0	-132.91	335.05	5.98	-126.93
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010909768	1	33	-2.0	-132.75	326.72	6.18	-126.57
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300010909769	0	39	-2.0	-126.86	349.87	6.35	-120.51
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010909770	0	39	-2.0	-121.39	349.68	4.81	-116.58
COC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1Cl	REAL300010909772	1	35	-2.0	-123.61	324.08	6.10	-117.51
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010909773	0	34	-2.0	-121.75	312.87	3.72	-118.03
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909774	1	44	-2.0	-126.90	364.65	7.29	-119.61
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010909775	0	36	-2.0	-139.35	312.54	6.55	-132.80
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C2=CC=CC(C)=C2S1	REAL300010909776	0	40	-2.0	-128.51	345.12	9.15	-119.36
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010909777	0	35	-2.0	-118.87	320.37	6.81	-112.06
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010909778	0	35	-2.0	-119.45	330.70	7.26	-112.19
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300010909779	1	40	-2.0	-135.60	361.47	7.72	-127.88
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909783	0	35	-2.0	-127.20	310.60	6.55	-120.65
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010909784	1	34	-2.0	-122.67	318.14	5.34	-117.33
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010909785	1	39	-2.0	-136.49	340.95	8.07	-128.42
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909786	0	47	-2.0	-135.18	380.37	8.81	-126.37
COC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909788	1	35	-2.0	-132.22	308.06	5.54	-126.68
COC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300010909789	0	34	-2.0	-120.57	321.80	3.48	-117.09
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1	REAL300010909790	0	40	-2.0	-130.54	357.71	7.81	-122.73
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1Cl	REAL300010909792	1	34	-2.0	-124.78	314.52	7.34	-117.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010909793	1	37	-2.0	-147.74	326.65	7.23	-140.51
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2)=N1	REAL300010909794	1	40	-2.0	-128.58	364.95	7.71	-120.87
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909795	0	40	-2.0	-134.22	356.21	7.49	-126.73
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010909798	0	39	-2.0	-140.04	330.91	7.40	-132.64
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010909799	1	38	-2.0	-133.62	344.15	4.09	-129.53
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010909800	1	31	-2.0	-118.30	301.15	6.81	-111.49
CC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])SC(Br)=C1	REAL300010909801	0	31	-2.0	-126.00	306.57	6.71	-119.29
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010909802	0	40	-2.0	-133.13	331.36	6.53	-126.60
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300010909804	0	41	-2.0	-133.05	348.57	5.14	-127.91
CC(=O)N1CCC2=C(C=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])S2)C1	REAL300010909806	0	42	-2.0	-127.64	369.96	6.77	-120.87
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)SC2=CC=C(C#N)C=C12	REAL300010909807	0	38	-2.0	-125.43	354.78	8.64	-116.79
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909810	1	38	-2.0	-148.42	334.48	3.68	-144.74
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909811	1	46	-2.0	-133.35	388.74	8.58	-124.77
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])=C2)=N1	REAL300010909813	1	43	-2.0	-126.39	365.26	5.95	-120.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010909815	1	43	-2.0	-129.49	363.12	7.69	-121.80
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])N(C)N=C1	REAL300010909816	0	37	-2.0	-131.84	326.11	5.29	-126.55
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Cl	REAL300010909817	1	39	-2.0	-128.49	359.11	5.08	-123.41
COC(=O)C1=CC=CC2=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=CC=C12	REAL300010909818	1	43	-2.0	-132.33	366.66	8.95	-123.38
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300010909819	1	42	-2.0	-138.27	362.80	5.32	-132.95
CC1=NC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)N1C	REAL300010909820	0	34	-2.0	-125.85	298.23	4.99	-120.86
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1F	REAL300010909821	0	37	-2.0	-134.94	340.45	6.89	-128.05
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909822	1	44	-2.0	-133.11	368.87	7.93	-125.18
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010909825	0	34	-2.0	-126.17	318.64	5.74	-120.43
COC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909827	0	35	-2.0	-124.83	310.60	6.55	-118.28
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300010909828	1	39	-2.0	-126.30	335.95	8.38	-117.92
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300010909829	0	38	-2.0	-123.13	324.57	6.18	-116.95
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010909830	0	44	-2.0	-123.64	381.29	8.37	-115.27
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])O1	REAL300010909831	0	37	-2.0	-123.09	336.31	5.61	-117.48
CCC1=NC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN1CC1CC1	REAL300010909832	0	44	-2.0	-138.78	372.99	8.05	-130.73
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2C1	REAL300010909833	1	42	-2.0	-141.57	363.54	6.81	-134.76
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010909834	0	34	-2.0	-111.82	319.63	4.85	-106.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010909835	1	42	-2.0	-132.11	378.72	10.34	-121.77
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010909836	1	41	-2.0	-142.32	338.77	9.48	-132.84
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(F)=C1F	REAL300010909839	0	34	-2.0	-136.99	307.79	6.93	-130.06
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300010909840	0	40	-2.0	-126.79	343.36	5.34	-121.45
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010909841	0	37	-2.0	-141.16	334.37	4.53	-136.63
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])OC=C1	REAL300010909842	0	34	-2.0	-137.66	312.43	5.62	-132.04
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300010909844	0	33	-2.0	-142.95	305.65	5.25	-137.70
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300010909845	1	40	-2.0	-139.12	331.76	9.43	-129.69
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1CC#N	REAL300010909846	1	35	-2.0	-126.12	303.99	7.03	-119.09
CC1=CC2=CC(S(=O)(=O)[N-]C3=C(C(=O)[O-])C=CC=C3C)=CC=C2NC1=O	REAL300010909848	1	40	-2.0	-126.00	349.62	5.99	-120.01
CC1=NSC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909849	0	30	-2.0	-124.42	287.37	4.55	-119.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300010909850	1	36	-2.0	-125.58	322.41	4.70	-120.88
CC1=NC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010909851	0	40	-2.0	-140.99	363.29	7.68	-133.31
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010909852	0	31	-2.0	-125.47	286.85	3.58	-121.89
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010909853	0	36	-2.0	-122.49	327.61	7.53	-114.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010909854	0	37	-2.0	-109.81	324.31	7.27	-102.54
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010909857	0	31	-2.0	-116.80	297.46	4.29	-112.51
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=C(F)C=C1C#N	REAL300010909858	0	35	-2.0	-130.22	313.56	7.39	-122.83
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300010909859	0	40	-2.0	-122.77	348.23	4.79	-117.98
CCCCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C)=N1	REAL300010909860	0	43	-2.0	-126.45	362.70	6.94	-119.51
COC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(OC)C=C1F	REAL300010909861	0	41	-2.0	-121.38	363.39	7.18	-114.20
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909862	0	41	-2.0	-132.28	346.66	7.01	-125.27
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909863	0	35	-2.0	-131.69	314.52	6.12	-125.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010909865	1	43	-2.0	-132.10	356.78	8.50	-123.60
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300010909866	1	32	-2.0	-120.19	305.79	6.70	-113.49
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300010909869	0	35	-2.0	-140.89	309.01	6.11	-134.78
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010909872	0	28	-2.0	-127.39	278.20	4.27	-123.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010909874	0	30	-2.0	-119.04	302.21	5.38	-113.66
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010909875	0	30	-2.0	-127.65	293.09	4.75	-122.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010909876	0	30	-2.0	-126.73	282.62	4.26	-122.47
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010909877	1	36	-2.0	-135.36	334.05	7.10	-128.26
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010909878	1	33	-2.0	-120.39	318.31	6.12	-114.27
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010909885	0	33	-2.0	-135.67	305.33	7.48	-128.19
CCOC(=O)C1(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])CCC1	REAL300010909889	1	40	-2.0	-120.93	340.26	7.08	-113.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010909891	0	32	-2.0	-117.51	324.07	5.36	-112.15
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010909893	0	34	-2.0	-120.10	304.13	4.68	-115.42
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300010909894	0	41	-2.0	-128.40	337.51	6.30	-122.10
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1Br	REAL300010909895	0	28	-2.0	-122.64	283.28	5.68	-116.96
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300010909896	0	43	-2.0	-124.22	342.15	6.58	-117.64
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010909897	0	41	-2.0	-126.63	345.98	6.61	-120.02
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010909898	0	34	-2.0	-120.50	305.41	4.93	-115.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1Br	REAL300010909899	0	31	-2.0	-124.60	299.24	4.34	-120.26
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010909901	1	41	-2.0	-130.93	356.08	9.02	-121.91
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909902	0	34	-2.0	-142.72	309.72	3.93	-138.79
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909903	0	37	-2.0	-124.20	315.43	5.15	-119.05
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300010909904	1	36	-2.0	-124.33	324.34	6.74	-117.59
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C#N)=C1	REAL300010909906	0	35	-2.0	-138.70	309.89	7.22	-131.48
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC=C1C#N	REAL300010909907	0	35	-2.0	-139.07	308.50	7.36	-131.71
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010909908	1	34	-2.0	-122.58	317.75	7.20	-115.38
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300010909911	1	38	-2.0	-133.49	342.63	8.19	-125.30
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909913	0	45	-2.0	-137.72	375.59	6.38	-131.34
CCOC(=O)C1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])N(C)N=C1	REAL300010909917	0	40	-2.0	-133.35	347.97	6.22	-127.13
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OCCCN2N=C1	REAL300010909921	0	36	-2.0	-135.55	315.71	3.17	-132.38
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=C(C(N)=O)O1	REAL300010909922	0	35	-2.0	-119.00	314.51	1.77	-117.23
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909923	1	40	-2.0	-121.37	326.66	8.37	-113.00
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909924	1	44	-2.0	-123.55	372.99	6.74	-116.81
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1C(F)F	REAL300010909925	0	31	-2.0	-122.86	292.13	5.99	-116.87
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300010909927	0	47	-2.0	-125.62	392.22	9.04	-116.58
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010909928	1	36	-2.0	-140.64	308.70	6.57	-134.07
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909929	0	38	-2.0	-133.35	341.69	6.24	-127.11
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)SC=C1	REAL300010909930	0	29	-2.0	-134.65	283.88	5.62	-129.03
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010909931	1	45	-2.0	-129.01	374.12	6.32	-122.69
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C21	REAL300010909932	1	45	-2.0	-151.35	379.38	8.19	-143.16
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(N)N=C1	REAL300010909933	0	31	-2.0	-120.89	284.27	3.59	-117.30
COC1=NC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909934	0	34	-2.0	-131.58	301.94	3.87	-127.71
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010909935	0	38	-2.0	-130.40	328.45	5.92	-124.48
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1CCC1	REAL300010909936	0	38	-2.0	-124.47	325.87	6.14	-118.33
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010909937	0	41	-2.0	-125.06	348.05	6.86	-118.20
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C2=CC=CC=C12	REAL300010909938	0	43	-2.0	-128.69	363.00	8.94	-119.75
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909939	0	44	-2.0	-133.39	377.30	7.85	-125.54
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909940	0	41	-2.0	-131.18	346.67	7.00	-124.18
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010909941	0	42	-2.0	-133.10	353.12	4.29	-128.81
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010909942	0	37	-2.0	-130.06	345.73	7.14	-122.92
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010909943	1	37	-2.0	-128.99	329.28	3.48	-125.51
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010909944	0	28	-2.0	-126.79	280.81	4.92	-121.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2CCCCN12	REAL300010909945	0	38	-2.0	-133.19	323.43	6.26	-126.93
COC1=C(F)C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300010909946	1	35	-2.0	-119.18	324.59	5.79	-113.39
COC1=CC(F)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1F	REAL300010909947	0	35	-2.0	-125.23	316.87	5.59	-119.64
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300010909949	0	41	-2.0	-127.72	347.53	8.02	-119.70
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300010909950	0	34	-2.0	-123.11	301.95	6.95	-116.16
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300010909951	0	39	-2.0	-138.51	331.70	7.21	-131.30
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300010909952	0	39	-2.0	-126.69	347.56	5.90	-120.79
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010909953	1	39	-2.0	-130.57	346.94	8.45	-122.12
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909954	0	35	-2.0	-130.75	316.02	6.70	-124.05
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010909955	0	37	-2.0	-134.18	332.42	6.88	-127.30
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C21	REAL300010909956	1	45	-2.0	-162.09	377.93	7.86	-154.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1Cl	REAL300010909957	0	28	-2.0	-123.99	278.93	5.55	-118.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Br)=NN1C	REAL300010909958	0	31	-2.0	-114.40	299.62	4.42	-109.98
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010909959	0	33	-2.0	-119.24	312.45	5.41	-113.83
CC1=NC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CS1	REAL300010909960	0	30	-2.0	-132.51	287.43	3.81	-128.70
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300010909961	0	36	-2.0	-144.42	319.40	5.86	-138.56
CCN1N=NC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010909962	0	33	-2.0	-110.78	288.71	3.49	-107.29
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300010909963	1	32	-2.0	-116.13	293.44	5.03	-111.10
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010909964	0	34	-2.0	-147.53	323.81	5.95	-141.58
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010909965	0	34	-2.0	-135.62	317.73	7.68	-127.94
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300010909966	0	38	-2.0	-126.26	329.23	5.92	-120.34
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C)=C1F	REAL300010909967	1	40	-2.0	-126.81	330.63	8.52	-118.29
COC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1OC	REAL300010909968	0	39	-2.0	-137.22	337.48	5.95	-131.27
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010909969	1	40	-2.0	-130.37	346.85	3.47	-126.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010909970	1	32	-2.0	-116.01	319.07	7.14	-108.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=COC2=CC=CC=C12	REAL300010909971	0	34	-2.0	-134.79	305.54	6.45	-128.34
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1OC	REAL300010909972	0	39	-2.0	-139.36	338.14	6.49	-132.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300010909973	0	44	-2.0	-130.39	361.17	6.98	-123.41
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010909974	0	35	-2.0	-130.10	329.38	8.17	-121.93
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300010909975	0	38	-2.0	-128.90	331.95	6.12	-122.78
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010909976	0	33	-3.0	-197.33	309.54	6.77	-190.56
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010909978	0	34	-2.0	-137.99	308.32	5.40	-132.59
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300010909979	0	36	-2.0	-151.22	321.11	4.73	-146.49
CC1=CC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1Br	REAL300010909980	1	37	-2.0	-122.74	327.54	8.03	-114.71
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010909982	1	34	-2.0	-124.88	307.40	6.49	-118.39
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300010909983	0	41	-2.0	-129.26	344.57	6.52	-122.74
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300010909984	1	49	-2.0	-126.82	382.72	9.89	-116.93
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)SC=C1	REAL300010909985	0	28	-2.0	-122.73	279.63	5.66	-117.07
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010909986	0	41	-2.0	-125.50	352.51	6.89	-118.61
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010909987	0	35	-2.0	-134.70	313.05	7.36	-127.34
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010909988	0	42	-2.0	-135.49	377.23	9.02	-126.47
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010909989	1	44	-2.0	-139.28	368.67	4.64	-134.64
COC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010909990	0	40	-2.0	-154.89	344.21	7.36	-147.53
CCCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909991	1	40	-2.0	-133.28	342.95	8.45	-124.83
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010909992	0	37	-2.0	-115.94	333.97	4.65	-111.29
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300010909993	0	32	-2.0	-131.22	294.89	6.63	-124.59
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2CCCC2=NN1C	REAL300010909994	0	38	-2.0	-126.66	323.71	5.82	-120.84
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010909995	0	35	-2.0	-116.44	335.00	7.59	-108.85
COC(=O)C1=CC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2C=C1	REAL300010909996	1	43	-2.0	-129.78	379.73	9.15	-120.63
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300010909998	0	40	-2.0	-117.02	318.38	5.98	-111.04
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300010909999	0	40	-2.0	-126.26	343.03	5.96	-120.30
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNN=C1C1CCC1	REAL300010910000	0	38	-2.0	-125.47	321.60	5.21	-120.26
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CN=C1C(F)(F)F	REAL300010910001	0	36	-2.0	-117.64	329.48	6.07	-111.57
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010910002	1	34	-2.0	-120.39	323.70	7.31	-113.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(CF)C=C1	REAL300010910003	1	34	-2.0	-130.03	306.87	7.06	-122.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010910004	0	31	-2.0	-121.42	299.79	6.42	-115.00
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010910005	0	31	-2.0	-123.29	310.28	6.36	-116.93
CC1=NN(C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010910006	0	34	-2.0	-121.10	300.20	4.45	-116.65
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010910007	1	34	-2.0	-120.90	330.46	7.66	-113.24
CC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1C	REAL300010910008	1	37	-2.0	-128.63	305.11	7.39	-121.24
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010910009	0	34	-2.0	-137.14	295.62	7.39	-129.75
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010910010	1	42	-2.0	-137.34	363.14	8.28	-129.06
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010910012	1	41	-2.0	-128.45	358.79	7.93	-120.52
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010910014	0	36	-2.0	-116.79	334.73	7.18	-109.61
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010910016	0	31	-2.0	-128.71	292.12	6.30	-122.41
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300010910017	1	38	-2.0	-133.25	327.78	8.35	-124.90
COC1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=CS1	REAL300010910018	0	32	-2.0	-128.98	298.70	5.11	-123.87
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010910019	0	34	-2.0	-127.12	307.39	7.54	-119.58
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010910020	0	37	-2.0	-126.68	344.88	6.60	-120.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010910021	0	38	-2.0	-135.88	330.36	8.32	-127.56
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010910022	0	41	-2.0	-125.66	343.61	6.87	-118.79
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010910023	0	40	-2.0	-122.38	340.24	5.93	-116.45
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1	REAL300010910024	1	40	-2.0	-134.90	349.60	3.78	-131.12
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010910025	0	34	-2.0	-135.53	332.83	2.74	-132.79
CCC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])O1	REAL300010910026	0	34	-2.0	-133.75	304.63	5.85	-127.90
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010910027	0	43	-2.0	-150.62	371.71	10.00	-140.62
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010910028	0	31	-2.0	-126.46	302.41	5.47	-120.99
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010910029	0	35	-2.0	-118.75	316.89	6.62	-112.13
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300010910030	0	45	-2.0	-125.65	369.89	5.19	-120.46
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300010910031	1	37	-2.0	-129.62	331.77	7.77	-121.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010910032	1	35	-2.0	-129.83	317.81	5.82	-124.01
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010910033	0	32	-2.0	-126.05	302.68	4.69	-121.36
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300010910034	0	42	-2.0	-148.71	348.02	8.43	-140.28
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CCF)N=C1	REAL300010910035	0	34	-2.0	-120.08	311.21	4.95	-115.13
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010910036	1	41	-2.0	-133.34	355.48	6.93	-126.41
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300010910037	0	41	-2.0	-127.09	359.97	7.24	-119.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010910038	0	44	-2.0	-126.50	365.44	7.18	-119.32
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1CF	REAL300010910040	1	34	-2.0	-133.08	298.23	7.06	-126.02
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010910041	1	43	-2.0	-138.58	365.31	8.75	-129.83
CC1=CN=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010910042	0	33	-2.0	-129.89	295.00	5.11	-124.78
CC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC(C)=C1Br	REAL300010910043	1	37	-2.0	-126.94	336.41	7.99	-118.95
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300010910045	0	32	-2.0	-135.19	301.45	6.57	-128.62
CCN1N=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1Cl	REAL300010910048	0	34	-2.0	-119.37	316.81	5.09	-114.28
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010910050	0	33	-2.0	-118.71	319.72	5.52	-113.19
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010910051	0	36	-2.0	-138.21	331.58	7.33	-130.88
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300010910052	0	28	-2.0	-127.32	278.30	4.87	-122.45
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010910053	1	36	-2.0	-135.32	329.27	7.10	-128.22
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C2=CC=CC=C12	REAL300010910054	1	40	-2.0	-138.39	331.04	8.92	-129.47
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010910056	1	45	-2.0	-124.76	383.64	7.76	-117.00
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010910057	0	31	-2.0	-125.88	303.21	6.76	-119.12
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)O1	REAL300010910058	0	37	-2.0	-143.19	342.17	2.54	-140.65
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300010910059	0	41	-2.0	-119.81	347.39	7.39	-112.42
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300010910065	0	34	-2.0	-137.13	304.38	6.65	-130.48
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010910067	1	33	-2.0	-130.74	309.50	5.64	-125.10
CC1=NC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010910070	0	40	-2.0	-143.48	354.46	5.24	-138.24
COC(=O)C1=CN2C=NC(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])=C2C=C1	REAL300010910080	0	40	-2.0	-141.70	361.94	8.10	-133.60
CCN1N=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=N1	REAL300010910085	0	33	-2.0	-130.19	299.59	3.11	-127.08
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010910087	0	35	-2.0	-130.57	322.53	7.56	-123.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010910088	0	34	-2.0	-123.23	324.01	7.05	-116.18
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=NN1	REAL300010910090	0	37	-2.0	-127.58	339.41	4.03	-123.55
COC1=CSC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1OC	REAL300010910091	0	36	-2.0	-127.73	331.89	4.25	-123.48
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010910092	0	34	-2.0	-117.97	333.43	5.53	-112.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010910093	0	35	-2.0	-127.83	329.87	6.93	-120.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010910094	1	35	-2.0	-125.59	324.53	5.88	-119.71
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300010910095	0	37	-2.0	-127.21	324.72	5.99	-121.22
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010910096	0	34	-2.0	-133.24	303.93	7.38	-125.86
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010910097	1	40	-2.0	-125.66	357.44	6.73	-118.93
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010910098	0	28	-2.0	-117.56	303.95	6.35	-111.21
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300010910099	0	31	-2.0	-118.70	295.01	4.22	-114.48
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300010910100	0	44	-2.0	-133.27	371.54	8.66	-124.61
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010910101	1	36	-2.0	-125.99	330.33	6.88	-119.11
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010910102	1	42	-2.0	-131.79	368.19	9.12	-122.67
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300010910103	0	37	-2.0	-139.80	309.61	7.79	-132.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)C=CO1	REAL300010910104	0	29	-2.0	-127.64	281.74	4.70	-122.94
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010910105	1	36	-2.0	-120.84	333.39	4.83	-116.01
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010910106	0	32	-2.0	-127.77	317.97	5.15	-122.62
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010910107	0	33	-2.0	-113.68	299.98	5.47	-108.21
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010910108	1	42	-2.0	-132.67	362.23	7.87	-124.80
CCN1C=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C2CC2)=N1	REAL300010910109	0	41	-2.0	-129.42	353.44	6.98	-122.44
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300010910110	0	35	-2.0	-139.70	314.06	5.47	-134.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010910111	1	37	-2.0	-129.34	341.69	9.01	-120.33
COC(=O)C1=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C(Cl)S1	REAL300010910112	0	34	-2.0	-129.19	327.42	7.22	-121.97
CCC1=CC(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=CC=C1Br	REAL300010910113	1	37	-2.0	-127.16	337.60	8.12	-119.04
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010910114	0	44	-2.0	-125.83	367.05	7.25	-118.58
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Cl)OC=C1	REAL300010910115	0	28	-2.0	-124.60	277.48	4.75	-119.85
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(Cl)=CS1	REAL300010910116	0	28	-2.0	-121.18	287.70	5.76	-115.42
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010910117	0	45	-2.0	-133.48	380.76	6.98	-126.50
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010910118	0	37	-2.0	-133.84	335.67	9.02	-124.82
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C2COCCC2=NN1C	REAL300010910119	0	39	-2.0	-126.94	328.97	3.97	-122.97
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300010910120	1	38	-2.0	-133.54	320.04	8.28	-125.26
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010910122	0	34	-2.0	-126.61	321.44	3.88	-122.73
COC1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300010910123	0	37	-2.0	-124.30	325.87	3.66	-120.64
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300010910124	0	40	-2.0	-128.90	341.48	6.40	-122.50
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=C(C(=O)[O-])C=CC=C1C	REAL300010910125	0	40	-2.0	-127.16	338.43	5.91	-121.25
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010910126	0	30	-2.0	-126.39	306.51	4.20	-122.19
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)OC=C1	REAL300010910128	0	29	-2.0	-130.93	278.00	4.66	-126.27
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(C#N)C=CS1	REAL300010910129	0	29	-2.0	-125.56	290.93	5.57	-119.99
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010910130	0	40	-2.0	-128.04	362.19	5.10	-122.94
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])S1	REAL300010910130	1	39	-3.0	-207.00	358.90	3.97	-203.03
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C(C)C	REAL300010910132	0	37	-2.0	-120.68	319.35	5.45	-115.23
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C	REAL300010910133	0	39	-2.0	-121.28	345.78	5.62	-115.66
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300010910134	0	34	-2.0	-131.62	314.58	8.40	-123.22
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1CC1CC1	REAL300010910135	0	38	-2.0	-120.28	328.77	6.06	-114.22
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010910136	0	38	-2.0	-126.52	325.93	7.23	-119.29
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=NN1C(C)C	REAL300010910137	0	40	-2.0	-121.86	337.84	5.96	-115.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010910138	1	38	-2.0	-138.34	338.38	8.44	-129.90
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010910139	0	33	-2.0	-131.65	308.29	5.35	-126.30
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010910141	1	38	-2.0	-131.47	340.38	8.47	-123.00
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010910142	0	35	-2.0	-133.64	325.41	6.58	-127.06
COC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010910143	1	40	-2.0	-137.08	343.45	7.82	-129.26
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010910144	0	34	-2.0	-132.57	313.30	7.08	-125.49
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010910145	0	35	-2.0	-147.76	326.45	5.53	-142.23
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010910146	1	38	-2.0	-129.60	321.33	8.15	-121.45
CC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(Cl)=C1Cl	REAL300010910147	0	34	-2.0	-126.93	319.20	7.69	-119.24
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010910148	0	35	-2.0	-124.69	327.09	6.01	-118.68
COC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C(C(F)F)=C1	REAL300010910149	1	38	-2.0	-126.38	328.67	6.39	-119.99
CCOC1=CC=C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])C=C1C(=O)OC	REAL300010910150	1	44	-2.0	-126.49	382.49	7.87	-118.62
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=C(C)C=CC=C3C(=O)[O-])C=C2C1	REAL300010910151	1	44	-2.0	-137.79	377.93	8.77	-129.02
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010910152	0	37	-2.0	-125.80	343.56	4.34	-121.46
COC(=O)C1=CC=NC=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010910153	0	36	-2.0	-131.14	311.14	5.89	-125.25
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=C(C)C=CC=C1C(=O)[O-]	REAL300010910154	0	37	-2.0	-144.11	329.27	7.88	-136.23
CC1=CC=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C2=NC=CC=C12	REAL300010910155	0	39	-2.0	-146.02	333.63	7.67	-138.35
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010910156	0	27	-2.0	-114.13	284.24	4.47	-109.66
CC1=C(S(=O)(=O)[N-]C2=C(C(=O)[O-])C=CC=C2C)C=C(Cl)S1	REAL300010910157	0	31	-2.0	-116.29	298.82	6.53	-109.76
CC1=CC=CC(C(=O)[O-])=C1[N-]S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010910158	0	38	-2.0	-132.88	347.68	7.08	-125.80
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010910159	0	44	-2.0	-136.47	361.38	8.39	-128.08
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010910160	0	35	-2.0	-129.37	305.54	5.22	-124.15
CC1=CC=C([O-])C(S(=O)(=O)NC2=C(C)C=CC=C2C(=O)[O-])=C1	REAL300010910160	1	35	-2.0	-113.39	302.23	5.28	-108.11
O=C([O-])CCC1CC2=CC=CC=C2N(S(=O)(=O)C2=NC=C[N-]2)C1	REAL300010910487	0	38	-2.0	-95.72	323.13	5.15	-90.57
CC1=CC=C([O-])C(S(=O)(=O)N2CC(CCC(=O)[O-])CC3=CC=CC=C32)=C1	REAL300010910606	1	45	-2.0	-109.12	373.89	8.26	-100.86
CC1=NOC(C)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC(C)=CC=C1	REAL300010910651	1	36	-2.0	-130.66	321.36	5.20	-125.46
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C(=O)[O-])=C1	REAL300010910679	1	34	-2.0	-139.75	321.23	6.65	-133.10
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC(C)=C1	REAL300010910730	1	38	-2.0	-145.29	345.91	6.52	-138.77
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC(C)=C2)O1	REAL300010910763	1	37	-2.0	-132.14	345.88	5.12	-127.02
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C(=O)[O-])=C1	REAL300010910766	0	36	-2.0	-159.98	334.26	7.96	-152.02
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C(=O)[O-])=C1	REAL300010910802	1	36	-2.0	-152.43	342.22	8.45	-143.98
CC1=CC=CC(C([N-]S(=O)(=O)C2=CN(C)C(=O)N(C)C2=O)C(=O)[O-])=C1	REAL300010910849	1	40	-2.0	-141.49	354.85	5.26	-136.23
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC(C)=C1	REAL300010910864	1	40	-2.0	-161.38	362.39	4.78	-156.60
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C(=O)[O-])=C1	REAL300010910890	1	36	-2.0	-148.08	343.56	8.35	-139.73
COC(=O)C1=COC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC(C)=C2)=C1	REAL300010910943	1	37	-2.0	-139.34	348.17	5.00	-134.34
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC(C)=C2)O1	REAL300010910977	1	40	-2.0	-133.57	369.67	5.98	-127.59
CCN1C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC(C)=C2)C([N+](=O)[O-])=N1	REAL300010910992	1	39	-2.0	-146.67	356.95	6.96	-139.71
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C(=O)[O-])=C1	REAL300010910993	1	36	-2.0	-146.78	339.75	7.71	-139.07
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C(=O)[O-])=C1	REAL300010911048	1	35	-2.0	-147.25	318.23	6.73	-140.52
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C(=O)[O-])=C1	REAL300010911089	0	34	-2.0	-123.17	340.48	6.14	-117.03
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C(=O)[O-])=C1	REAL300010911098	1	33	-2.0	-135.46	325.32	5.71	-129.75
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC(C)=C2)SC=N1	REAL300010911132	0	36	-2.0	-150.98	345.32	4.51	-146.47
CC1=CC=CC(C([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C(=O)[O-])=C1	REAL300010911160	1	33	-2.0	-131.16	327.52	6.09	-125.07
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C(=O)[O-])=C1	REAL300010911218	0	34	-2.0	-140.02	329.34	6.65	-133.37
CC1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC(C)=CC=C2)C(N)=NO1	REAL300010911246	0	35	-2.0	-126.85	313.86	3.67	-123.18
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2)S1	REAL300010911253	1	37	-2.0	-103.42	355.32	2.27	-101.15
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C(=O)[O-])=C1	REAL300010911276	1	34	-2.0	-139.55	328.67	7.13	-132.42
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC(C)=C1	REAL300010911287	0	42	-2.0	-139.70	376.09	7.78	-131.92
CC1=CC=CC(C(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C(=O)[O-])=C1	REAL300010911311	0	38	-2.0	-108.52	359.47	5.45	-103.07
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC(C)=C2)=C1F	REAL300010911419	1	40	-2.0	-145.25	373.11	7.00	-138.25
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC(C)=C2)O1	REAL300010911428	1	40	-2.0	-137.13	365.70	5.64	-131.49
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC(C)=C2)OC=C1	REAL300010911438	0	37	-2.0	-152.66	341.64	5.66	-147.00
CC1=CC=CC(C([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C(=O)[O-])=C1	REAL300010911440	1	36	-2.0	-156.44	335.32	5.27	-151.17
CC1=NOC=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC(C)=CC=C1	REAL300010911464	1	33	-2.0	-129.53	305.23	4.21	-125.32
CC1=CC=CC(C([N-]S(=O)(=O)N=S2(=O)CCCC2)C(=O)[O-])=C1	REAL300010911474	1	38	-2.0	-176.28	337.49	3.46	-172.82
CCS(=O)(CC)=NS(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC(C)=C1	REAL300010911479	1	40	-2.0	-176.39	352.67	3.73	-172.66
CC1=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC(C)=CC=C2)=C([N+](=O)[O-])S1	REAL300010911480	0	36	-2.0	-143.79	347.80	6.96	-136.83
CC1=CC=CC(C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C(=O)[O-])=C1	REAL300010911499	0	35	-2.0	-110.12	326.83	4.51	-105.61
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC(C)=C1	REAL300010911501	1	37	-2.0	-158.87	339.25	3.95	-154.92
CC1=CC=CC(C([N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-])=C1	REAL300010911504	1	43	-2.0	-170.40	369.89	4.32	-166.08
CC1=CC=CC(C(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(=O)[O-])=C1	REAL300010911535	0	42	-2.0	-101.33	359.05	5.67	-95.66
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC(C)=C1	REAL300010911553	1	38	-2.0	-145.27	346.31	6.97	-138.30
CC1=CC=CC(C(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C(=O)[O-])=C1	REAL300010911581	0	37	-2.0	-113.04	347.90	6.54	-106.50
CC1=CC=CC(C(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])=C1	REAL300010911586	0	35	-2.0	-115.41	339.50	6.29	-109.12
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C(=O)[O-])=C1	REAL300010911604	1	38	-2.0	-124.68	362.78	7.65	-117.03
CC1=CC=CC(C(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C(=O)[O-])=C1	REAL300010911669	0	35	-2.0	-110.12	326.83	4.51	-105.61
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC(C)=C2)=N1	REAL300010911707	1	36	-2.0	-139.89	328.97	3.14	-136.75
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2)=C1	REAL300010911717	1	40	-2.0	-109.89	370.87	3.55	-106.34
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2)=N[N-]1	REAL300010911717	1	40	-2.0	-109.87	370.97	3.55	-106.32
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC(C)=C2)=C1	REAL300010911719	0	37	-2.0	-127.63	360.91	5.61	-122.02
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=CC(C)=C2)C(F)=C1	REAL300010911722	1	38	-2.0	-148.51	346.24	5.82	-142.69
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(C#N)C=CO2)C(=O)[O-])=C1	REAL300010911734	1	32	-2.0	-142.61	310.12	4.70	-137.91
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC(C)=C1	REAL300010911735	1	37	-2.0	-158.87	339.25	3.95	-154.92
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(C#N)OC=C2)C(=O)[O-])=C1	REAL300010911760	1	32	-2.0	-138.66	309.31	4.74	-133.92
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2)S1	REAL300010911770	1	43	-2.0	-105.51	392.55	3.81	-101.70
CC1=CC=CC(C([N-]S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C(=O)[O-])=C1	REAL300010911776	1	37	-2.0	-139.50	352.53	7.62	-131.88
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=CC(C)=C1	REAL300010911819	1	40	-2.0	-157.14	365.70	7.29	-149.85
CC1=CC=CC(C([N-]S(=O)(=O)C2=C(Br)C=NS2)C(=O)[O-])=C1	REAL300010911824	1	30	-2.0	-127.62	310.29	4.76	-122.86
CC1=CC=CC(C(NS(=O)(=O)C2=CC(C)=CC=C2[O-])C(=O)[O-])=C1	REAL300010911845	1	38	-2.0	-117.34	341.59	5.13	-112.21
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010911867	1	39	-2.0	-93.34	358.75	5.92	-87.42
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010911870	0	39	-2.0	-105.00	349.19	6.02	-98.98
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010911894	1	39	-2.0	-97.43	352.57	5.86	-91.57
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010911896	1	36	-2.0	-90.49	363.51	5.89	-84.60
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010911908	1	39	-2.0	-90.23	358.86	5.92	-84.31
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010911920	0	39	-2.0	-95.65	355.58	6.09	-89.56
CN1C=NC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=C1Cl	REAL300010911939	1	39	-2.0	-105.53	359.15	5.24	-100.29
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CCCCCCCC(=O)[O-]	REAL300010911974	1	43	-2.0	-99.69	378.32	6.21	-93.48
COC(=O)C1=CC=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])O1	REAL300010912010	1	42	-2.0	-93.27	380.21	4.53	-88.74
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010912013	0	41	-2.0	-110.28	363.37	7.44	-102.84
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010912017	1	39	-2.0	-101.09	360.30	6.68	-94.41
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010912051	1	41	-2.0	-106.47	375.31	7.98	-98.49
CN1C=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C(=O)N(C)C1=O	REAL300010912099	1	45	-2.0	-102.15	387.25	4.75	-97.40
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCCCCC(=O)[O-]	REAL300010912115	1	45	-2.0	-111.81	394.80	4.24	-107.57
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010912142	1	41	-2.0	-100.74	375.94	7.85	-92.89
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010912182	1	42	-2.0	-100.63	370.43	6.13	-94.50
COC(=O)C1=COC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=C1	REAL300010912193	1	42	-2.0	-97.26	380.55	4.48	-92.78
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])O1	REAL300010912228	1	45	-2.0	-93.42	402.08	5.45	-87.97
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010912235	1	36	-2.0	-95.97	352.97	5.31	-90.66
CCN1C=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010912243	1	44	-2.0	-102.42	390.99	6.62	-95.80
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010912244	1	41	-2.0	-104.72	374.08	7.13	-97.59
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010912266	1	39	-2.0	-100.17	352.46	5.86	-94.31
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C(F)=C1	REAL300010912290	0	40	-2.0	-95.20	369.96	6.41	-88.79
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010912305	1	40	-2.0	-104.62	356.48	6.50	-98.12
CC1=C(Br)SC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=N1	REAL300010912341	0	38	-2.0	-93.27	368.82	3.98	-89.29
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010912349	0	39	-2.0	-87.18	367.91	6.21	-80.97
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010912358	1	38	-2.0	-95.14	359.65	5.18	-89.96
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010912359	1	38	-2.0	-88.41	366.10	4.92	-83.49
COC(=O)C1=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])SC=N1	REAL300010912394	0	41	-2.0	-101.82	380.85	3.49	-98.33
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010912403	1	36	-2.0	-92.95	345.05	4.45	-88.50
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010912413	1	39	-2.0	-101.73	356.72	6.54	-95.19
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010912470	1	39	-2.0	-90.88	375.83	6.87	-84.01
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010912483	0	39	-2.0	-95.01	361.76	6.15	-88.86
CC1=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C(N)=NO1	REAL300010912511	1	40	-2.0	-89.83	347.10	3.14	-86.69
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010912512	0	41	-2.0	-89.93	390.56	6.97	-82.96
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010912514	1	41	-2.0	-86.81	386.83	6.84	-79.97
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010912515	1	39	-2.0	-90.40	370.69	7.11	-83.29
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCCCCCCC(=O)[O-])S1	REAL300010912521	1	42	-2.0	-91.52	384.57	2.47	-89.05
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010912543	0	39	-2.0	-98.52	363.04	6.59	-91.93
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010912548	1	39	-2.0	-97.39	362.90	6.31	-91.08
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCCCCCC(=O)[O-]	REAL300010912554	0	47	-2.0	-96.47	408.91	7.25	-89.22
N#CC1=CC=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])O1	REAL300010912568	1	37	-2.0	-90.90	344.59	4.27	-86.63
CC1=NC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=C(Br)N1C	REAL300010912574	1	42	-2.0	-105.75	381.28	5.19	-100.56
O=C([O-])CCCCCCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010912578	0	43	-2.0	-86.98	380.44	5.72	-81.26
CN1C=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010912604	1	42	-2.0	-97.64	379.30	4.58	-93.06
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010912605	1	41	-2.0	-92.72	381.78	7.90	-84.82
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300010912607	1	36	-2.0	-99.39	338.94	4.80	-94.59
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010912622	1	42	-2.0	-95.10	376.84	6.20	-88.90
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010912623	1	42	-2.0	-99.85	391.96	7.80	-92.05
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010912629	1	36	-2.0	-96.94	348.64	5.20	-91.74
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010912690	1	38	-2.0	-102.41	353.19	4.52	-97.89
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=C1F	REAL300010912698	1	45	-2.0	-98.68	405.47	6.47	-92.21
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])O1	REAL300010912708	1	45	-2.0	-94.02	398.11	5.11	-88.91
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010912715	1	38	-2.0	-93.92	362.64	4.41	-89.51
COC(=O)C1=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])OC=C1	REAL300010912719	0	42	-2.0	-105.20	374.05	5.12	-100.08
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=N1	REAL300010912721	0	41	-2.0	-110.26	369.02	4.64	-105.62
CC1=NSC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=C1	REAL300010912726	1	38	-2.0	-92.04	349.16	4.03	-88.01
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010912729	1	39	-2.0	-94.86	356.34	3.26	-91.60
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010912749	1	36	-2.0	-102.46	341.12	3.67	-98.79
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010912751	1	38	-2.0	-90.83	365.71	4.94	-85.89
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010912752	1	38	-2.0	-93.74	358.03	4.34	-89.40
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010912753	1	38	-2.0	-93.16	347.58	3.85	-89.31
CN1N=CC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=C1C(F)(F)F	REAL300010912773	1	42	-2.0	-93.30	373.81	4.37	-88.93
O=C([O-])CCCCCCCNS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010912783	0	40	-2.0	-88.25	347.79	4.77	-83.48
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCCCCC(=O)[O-]	REAL300010912785	1	42	-2.0	-111.78	372.94	3.31	-108.47
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=NS1	REAL300010912799	1	35	-2.0	-91.59	327.41	3.43	-88.16
O=C([O-])CCCCCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010912821	0	47	-2.0	-99.91	388.41	5.80	-94.11
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010912829	0	36	-2.0	-96.05	342.43	4.41	-91.64
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCCCCCCC(=O)[O-]	REAL300010912839	1	43	-2.0	-100.14	377.09	6.41	-93.73
CC1=CSC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=N1	REAL300010912849	1	38	-2.0	-98.49	348.96	3.30	-95.19
CN1N=NN=C1S(=O)(=O)[N-]CCCCCCCC(=O)[O-]	REAL300010912853	1	37	-2.0	-90.28	329.83	1.79	-88.49
O=C([O-])CCCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010912867	0	42	-2.0	-97.37	369.59	6.41	-90.96
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010912869	1	42	-2.0	-104.53	370.10	4.96	-99.57
O=C([O-])CCCCCCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010912872	0	40	-2.0	-86.26	374.13	5.75	-80.51
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010912902	1	36	-2.0	-92.95	345.05	4.45	-88.50
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010912930	1	39	-2.0	-91.57	364.52	4.95	-86.62
O=C([O-])CCCCCCCNS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010912953	0	40	-2.0	-88.25	347.79	4.77	-83.48
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010912957	1	41	-2.0	-92.55	381.68	5.01	-87.54
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300010912958	1	36	-2.0	-92.51	340.41	4.34	-88.17
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010912960	1	41	-2.0	-92.55	381.68	5.01	-87.54
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010912964	1	39	-2.0	-92.94	368.21	6.34	-86.60
CC1=NC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010912976	1	48	-2.0	-108.89	416.72	4.71	-104.18
CCN1N=CC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=N1	REAL300010912992	1	41	-2.0	-96.97	361.52	2.58	-94.39
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCCCCCCCC(=O)[O-])=C1	REAL300010913002	1	45	-2.0	-90.14	397.67	3.82	-86.32
CCOC(=O)C1=CC(S(=O)(=O)NCCCCCCCC(=O)[O-])=N[N-]1	REAL300010913002	1	45	-2.0	-90.17	397.71	3.81	-86.36
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])=C1	REAL300010913004	0	42	-2.0	-90.15	395.23	5.01	-85.14
COC1=CC(F)=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])C(F)=C1	REAL300010913008	1	43	-2.0	-100.71	378.66	5.32	-95.39
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010913012	1	36	-2.0	-88.03	365.74	5.84	-82.19
N#CC1=C(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])OC=C1	REAL300010913020	1	37	-2.0	-97.41	343.35	4.19	-93.22
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCCCCC(=O)[O-]	REAL300010913021	1	42	-2.0	-111.78	372.94	3.31	-108.47
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010913050	0	37	-2.0	-97.25	353.68	3.56	-93.69
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010913053	1	38	-2.0	-103.11	349.53	4.40	-98.71
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCCCCCCC(=O)[O-])S1	REAL300010913058	1	48	-2.0	-91.93	421.54	4.02	-87.91
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010913061	0	38	-2.0	-101.01	361.56	4.58	-96.43
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010913091	1	41	-2.0	-104.39	365.94	5.04	-99.35
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCCCCCCC(=O)[O-]	REAL300010913111	1	45	-2.0	-112.09	393.26	7.35	-104.74
O=C([O-])CCCCCCC[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010913116	0	35	-2.0	-88.54	344.60	4.16	-84.38
CC1=CC=C([O-])C(S(=O)(=O)NCCCCCCCC(=O)[O-])=C1	REAL300010913136	1	43	-2.0	-94.26	362.80	5.37	-88.89
O=C([O-])CCCCCCCNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010913137	0	44	-2.0	-93.08	391.36	6.07	-87.01
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010913162	1	36	-2.0	-94.44	337.25	5.14	-89.30
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010913165	0	36	-2.0	-106.66	327.69	5.24	-101.42
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010913191	1	36	-2.0	-98.99	331.07	5.08	-93.91
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010913193	1	33	-2.0	-91.90	342.01	5.11	-86.79
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010913199	1	36	-2.0	-92.58	359.51	6.76	-85.82
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010913206	1	36	-2.0	-91.51	337.36	5.13	-86.38
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010913218	0	36	-2.0	-97.13	334.09	5.31	-91.82
CN1C=NC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=C1Cl	REAL300010913235	1	36	-2.0	-106.84	337.65	4.46	-102.38
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CCCCCCC(=O)[O-]	REAL300010913273	1	40	-2.0	-101.14	356.83	5.43	-95.71
COC(=O)C1=CC=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])O1	REAL300010913309	1	39	-2.0	-94.39	358.71	3.75	-90.64
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010913312	0	38	-2.0	-112.06	341.87	6.66	-105.40
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010913316	1	36	-2.0	-102.70	338.80	5.90	-96.80
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010913323	0	38	-2.0	-98.59	369.89	7.69	-90.90
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010913352	1	38	-2.0	-108.30	353.81	7.20	-101.10
CN1C=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(=O)N(C)C1=O	REAL300010913404	1	42	-2.0	-103.25	365.75	3.97	-99.28
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCCCC(=O)[O-]	REAL300010913419	1	42	-2.0	-113.42	373.30	3.46	-109.96
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010913446	1	38	-2.0	-102.41	354.44	7.07	-95.34
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010913486	1	39	-2.0	-101.78	348.93	5.35	-96.43
COC(=O)C1=COC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=C1	REAL300010913498	1	39	-2.0	-98.43	359.05	3.70	-94.73
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])O1	REAL300010913533	1	42	-2.0	-94.45	380.58	4.66	-89.79
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010913540	1	39	-2.0	-101.73	357.62	7.10	-94.63
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010913542	1	33	-2.0	-97.65	331.48	4.53	-93.12
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010913548	1	35	-2.0	-91.94	348.78	4.27	-87.67
CCN1C=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300010913551	1	41	-2.0	-103.56	369.49	5.84	-97.72
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010913552	1	38	-2.0	-106.21	352.58	6.35	-99.86
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCCCCCC(=O)[O-])C(F)=C1	REAL300010913557	1	44	-2.0	-97.14	389.96	1.87	-95.27
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010913576	1	36	-2.0	-101.44	330.96	5.08	-96.36
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(F)=C1	REAL300010913607	0	37	-2.0	-96.70	348.47	5.63	-91.07
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010913622	1	37	-2.0	-106.05	334.98	5.72	-100.33
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010913653	0	41	-2.0	-99.46	379.57	4.38	-95.08
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010913653	1	41	-2.0	-99.39	379.63	4.37	-95.02
CC1=C(Br)SC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=N1	REAL300010913658	0	35	-2.0	-94.85	347.33	3.20	-91.65
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300010913666	0	36	-2.0	-88.43	346.41	5.43	-83.00
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010913676	1	35	-2.0	-96.58	338.15	4.40	-92.18
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010913679	1	35	-2.0	-89.71	344.60	4.14	-85.57
COC(=O)C1=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])SC=N1	REAL300010913712	0	38	-2.0	-102.83	359.35	2.71	-100.12
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010913722	1	33	-2.0	-94.05	323.55	3.67	-90.38
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010913733	1	36	-2.0	-103.36	335.22	5.76	-97.60
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010913788	1	36	-2.0	-92.15	354.33	6.08	-86.07
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010913804	0	36	-2.0	-96.47	340.26	5.36	-91.11
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010913819	1	38	-2.0	-89.22	372.97	6.56	-82.66
CC1=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(N)=NO1	REAL300010913838	1	37	-2.0	-90.83	325.60	2.36	-88.47
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010913841	0	38	-2.0	-91.23	369.06	6.18	-85.05
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010913843	1	38	-2.0	-87.91	365.33	6.06	-81.85
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010913844	1	36	-2.0	-91.85	349.19	6.33	-85.52
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCCCCCC(=O)[O-])S1	REAL300010913851	1	39	-2.0	-93.37	363.07	1.69	-91.68
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010913875	0	36	-2.0	-100.07	341.54	5.81	-94.26
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010913881	1	36	-2.0	-98.86	341.40	5.53	-93.33
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010913884	1	38	-2.0	-95.46	366.73	6.80	-88.66
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCCCCC(=O)[O-]	REAL300010913887	0	44	-2.0	-98.05	387.41	6.47	-91.58
N#CC1=CC=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])O1	REAL300010913904	1	34	-2.0	-92.00	323.09	3.49	-88.51
CC1=NC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=C(Br)N1C	REAL300010913912	1	39	-2.0	-107.05	359.78	4.41	-102.64
O=C([O-])CCCCCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010913916	0	40	-2.0	-90.37	358.94	4.93	-85.44
CN1C=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010913948	1	39	-2.0	-98.77	357.80	3.80	-94.97
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010913949	1	38	-2.0	-94.14	360.28	7.12	-87.02
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300010913951	1	33	-2.0	-101.23	317.45	4.02	-97.21
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010913965	1	39	-2.0	-96.26	355.34	5.42	-90.84
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010913966	1	39	-2.0	-101.24	370.46	7.01	-94.23
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010913973	1	33	-2.0	-98.63	327.15	4.42	-94.21
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=C1F	REAL300010914011	1	42	-2.0	-100.41	394.30	6.13	-94.28
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010914041	1	35	-2.0	-103.91	331.69	3.74	-100.17
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=C1F	REAL300010914051	1	42	-2.0	-99.95	383.97	5.69	-94.26
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])O1	REAL300010914061	1	42	-2.0	-95.11	376.61	4.33	-90.78
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010914071	1	35	-2.0	-94.96	341.14	3.63	-91.33
COC(=O)C1=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])OC=C1	REAL300010914075	0	39	-2.0	-106.77	352.55	4.34	-102.43
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=N1	REAL300010914078	0	38	-2.0	-112.00	347.52	3.86	-108.14
CC1=NSC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=C1	REAL300010914083	1	35	-2.0	-93.21	327.66	3.24	-89.97
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010914086	1	36	-2.0	-95.90	334.84	2.48	-93.42
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010914106	1	33	-2.0	-103.67	319.63	2.89	-100.78
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010914108	1	35	-2.0	-92.02	344.21	4.16	-87.86
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010914109	1	35	-2.0	-94.85	336.54	3.56	-91.29
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010914110	1	35	-2.0	-94.20	326.08	3.07	-91.13
CN1N=CC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=C1C(F)(F)F	REAL300010914131	1	39	-2.0	-94.62	352.31	3.59	-91.03
O=C([O-])CCCCCCNS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010914141	0	37	-2.0	-91.72	326.29	3.99	-87.73
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCCCC(=O)[O-]	REAL300010914143	1	39	-2.0	-113.30	351.44	2.53	-110.77
O=C([O-])CCCCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010914185	0	44	-2.0	-100.66	366.91	5.02	-95.64
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010914195	0	33	-2.0	-97.35	320.93	3.63	-93.72
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCCCCCC(=O)[O-]	REAL300010914205	1	40	-2.0	-101.45	355.59	5.63	-95.82
CC1=CSC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=N1	REAL300010914217	1	35	-2.0	-100.23	327.46	2.52	-97.71
O=C([O-])CCCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010914235	0	39	-2.0	-97.55	348.09	5.63	-91.92
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010914237	1	39	-2.0	-106.16	348.60	4.18	-101.98
O=C([O-])CCCCCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010914240	0	37	-2.0	-89.96	352.69	4.99	-84.97
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010914274	1	33	-2.0	-94.05	323.55	3.67	-90.38
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010914303	1	36	-2.0	-92.69	343.02	4.17	-88.52
O=C([O-])CCCCCCNS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010914326	0	37	-2.0	-91.72	326.29	3.99	-87.73
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010914331	1	38	-2.0	-93.56	360.18	4.23	-89.33
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300010914333	1	33	-2.0	-93.69	318.91	3.56	-90.13
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010914335	1	38	-2.0	-93.56	360.18	4.23	-89.33
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010914339	1	36	-2.0	-94.09	346.71	5.56	-88.53
CC1=NC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010914352	1	45	-2.0	-110.07	395.22	3.93	-106.14
CCN1N=CC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=N1	REAL300010914369	1	38	-2.0	-98.13	340.02	1.80	-96.33
CCOC(=O)C1=CC(S(=O)(=O)NCCCCCCC(=O)[O-])=N[N-]1	REAL300010914378	1	42	-2.0	-92.37	376.22	3.03	-89.34
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CCCCCCC(=O)[O-])=C1	REAL300010914380	0	39	-2.0	-91.15	373.73	4.23	-86.92
COC1=CC(F)=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])C(F)=C1	REAL300010914384	1	40	-2.0	-102.27	357.16	4.54	-97.73
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010914389	1	33	-2.0	-89.26	344.24	5.06	-84.20
N#CC1=C(S(=O)(=O)[N-]CCCCCCC(=O)[O-])OC=C1	REAL300010914399	1	34	-2.0	-99.05	321.85	3.41	-95.64
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCCCC(=O)[O-]	REAL300010914400	1	39	-2.0	-113.30	351.44	2.53	-110.77
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010914432	0	34	-2.0	-98.42	332.18	2.78	-95.64
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010914435	1	35	-2.0	-104.65	328.03	3.62	-101.03
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCCCCCC(=O)[O-])S1	REAL300010914441	1	45	-2.0	-94.06	400.04	3.24	-90.82
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010914445	0	35	-2.0	-102.39	340.06	3.80	-98.59
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010914473	1	38	-2.0	-106.17	344.44	4.26	-101.91
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010914479	0	35	-2.0	-95.48	347.22	4.35	-91.13
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CCCCCCC(=O)[O-]	REAL300010914495	1	42	-2.0	-98.59	386.92	7.10	-91.49
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCCCCCC(=O)[O-]	REAL300010914497	1	42	-2.0	-113.89	371.76	6.57	-107.32
O=C([O-])CCCCCC[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010914503	0	32	-2.0	-89.63	323.10	3.38	-86.25
CC1=CC=C([O-])C(S(=O)(=O)NCCCCCCC(=O)[O-])=C1	REAL300010914519	1	40	-2.0	-98.19	341.30	4.59	-93.60
O=C([O-])CCCCCCNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010914520	0	41	-2.0	-96.05	369.86	5.29	-90.76
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010914898	1	38	-2.0	-97.70	347.07	1.56	-96.14
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010914993	0	35	-2.0	-99.88	334.66	3.92	-95.96
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010914993	1	35	-2.0	-99.88	334.72	3.91	-95.97
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010917003	1	31	-2.0	-118.87	299.12	4.42	-114.45
CC1=NC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010917015	1	40	-2.0	-136.89	347.63	2.79	-134.10
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010917036	1	37	-2.0	-102.59	335.50	1.73	-100.86
CCOC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=N[N-]1	REAL300010917036	1	37	-2.0	-102.54	335.60	1.74	-100.80
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1	REAL300010917038	0	34	-2.0	-113.71	328.38	3.05	-110.66
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010917041	1	35	-2.0	-124.90	322.22	5.02	-119.88
COC1=CC(F)=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])C(F)=C1	REAL300010917043	1	35	-2.0	-125.12	306.74	4.03	-121.09
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010917048	1	28	-2.0	-109.85	296.66	3.92	-105.93
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010917057	1	34	-2.0	-136.91	303.86	1.35	-135.56
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010917088	0	29	-2.0	-120.35	284.92	1.54	-118.81
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010917091	1	30	-2.0	-129.08	280.44	2.47	-126.61
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010917096	1	40	-2.0	-100.40	355.47	1.75	-98.65
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010917100	0	30	-2.0	-125.89	292.46	2.67	-123.22
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010917125	1	33	-2.0	-125.62	291.47	4.01	-121.61
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010917131	0	30	-2.0	-115.09	299.60	3.23	-111.86
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010917145	1	37	-2.0	-120.56	339.33	5.95	-114.61
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010917147	1	37	-2.0	-135.86	317.79	6.13	-129.73
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010917153	0	27	-2.0	-110.59	279.02	2.09	-108.50
O=C([O-])C1CCCC1NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010917163	0	36	-2.0	-117.19	326.51	4.06	-113.13
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)C1	REAL300010917588	1	42	-2.0	-94.38	363.34	2.45	-91.93
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010917685	0	39	-2.0	-88.52	344.72	4.50	-84.02
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010917685	1	39	-2.0	-88.53	344.78	4.49	-84.04
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300010917882	1	37	-2.0	-95.94	327.77	1.83	-94.11
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010917946	0	38	-2.0	-91.48	329.87	5.16	-86.32
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010918171	0	35	-2.0	-92.81	297.53	4.22	-88.59
CC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010918216	0	42	-2.0	-102.94	336.35	5.34	-97.60
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300010918266	0	37	-2.0	-104.30	319.48	6.07	-98.23
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010918271	0	35	-2.0	-87.90	318.43	5.12	-82.78
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010918355	0	35	-2.0	-92.81	297.53	4.22	-88.59
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300010918408	1	40	-2.0	-98.34	344.69	3.25	-95.09
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=N[N-]1	REAL300010918408	1	40	-2.0	-98.20	344.80	3.24	-94.96
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300010918467	1	43	-2.0	-96.16	370.57	3.44	-92.72
CC1=CC=C([O-])C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300010918541	1	38	-2.0	-99.52	314.53	4.90	-94.62
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010918542	0	39	-2.0	-109.47	337.13	5.52	-103.95
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)C1	REAL300010919141	1	41	-2.0	-97.05	358.60	1.60	-95.45
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010919195	0	42	-2.0	-92.33	357.62	4.28	-88.05
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=NC=C[N-]2)C1	REAL300010919317	0	35	-2.0	-99.64	297.71	0.56	-99.08
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010919372	0	39	-2.0	-93.71	325.25	3.33	-90.38
COCC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010919408	0	46	-2.0	-106.39	366.94	5.07	-101.32
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300010919452	0	41	-2.0	-106.49	350.28	5.83	-100.66
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010919457	0	39	-2.0	-91.94	354.77	4.98	-86.96
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010919535	0	39	-2.0	-93.71	325.25	3.33	-90.38
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=C1	REAL300010919580	1	44	-2.0	-99.19	375.99	2.29	-96.90
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC(COC)(C(=O)[O-])C2)=N[N-]1	REAL300010919580	1	44	-2.0	-99.20	376.20	2.30	-96.90
COCC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(C)=CC=C2[O-])C1	REAL300010919702	1	42	-2.0	-98.66	340.31	3.94	-94.72
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCCCC1	REAL300010919727	1	34	-2.0	-128.56	296.53	5.62	-122.94
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCCCC1	REAL300010919732	0	34	-2.0	-141.89	286.99	5.68	-136.21
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCCCC1	REAL300010919758	1	34	-2.0	-132.66	290.32	5.56	-127.10
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCCCC1	REAL300010919760	1	31	-2.0	-120.10	301.31	5.58	-114.52
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CCCCC1	REAL300010919766	1	34	-2.0	-120.87	318.77	7.21	-113.66
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CCCCC1	REAL300010919772	0	34	-2.0	-124.31	310.94	6.16	-118.15
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CCCCC1	REAL300010919774	1	34	-2.0	-123.99	310.95	6.16	-117.83
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCCCC1	REAL300010919775	1	34	-2.0	-122.66	296.64	5.61	-117.05
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCCCC1	REAL300010919787	0	34	-2.0	-129.79	293.36	5.76	-124.03
CN1C=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=C1Cl	REAL300010919804	1	34	-2.0	-142.24	296.91	4.95	-137.29
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1	REAL300010919842	1	38	-2.0	-136.18	316.10	5.83	-130.35
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)O1	REAL300010919878	1	37	-2.0	-123.12	318.08	4.23	-118.89
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCCCC1	REAL300010919881	0	36	-2.0	-147.08	301.81	6.92	-140.16
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCCCC1	REAL300010919885	1	34	-2.0	-132.01	297.95	6.35	-125.66
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CCCCC1	REAL300010919892	0	36	-2.0	-139.21	323.53	8.23	-130.98
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCCCC1	REAL300010919921	1	36	-2.0	-142.78	309.99	7.45	-135.33
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)CCCCC1	REAL300010919967	1	33	-2.0	-121.49	303.56	4.58	-116.91
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)C(=O)N(C)C1=O	REAL300010919974	1	40	-2.0	-140.20	325.93	4.16	-136.04
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1	REAL300010919989	1	40	-2.0	-147.70	331.45	3.81	-143.89
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCCCC1	REAL300010920016	1	36	-2.0	-124.31	317.52	7.24	-117.07
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCCC1	REAL300010920056	1	37	-2.0	-134.38	308.29	5.83	-128.55
COC(=O)C1=COC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=C1	REAL300010920068	1	37	-2.0	-131.53	318.29	4.19	-127.34
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)O1	REAL300010920103	1	40	-2.0	-123.33	339.94	5.16	-118.17
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CCCCC1	REAL300010920110	1	37	-2.0	-133.78	314.42	7.36	-126.42
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=CS2)CCCCC1	REAL300010920112	1	31	-2.0	-126.41	286.93	5.14	-121.27
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CCCCC1	REAL300010920118	1	33	-2.0	-120.39	307.62	4.72	-115.67
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)C([N+](=O)[O-])=N1	REAL300010920121	1	39	-2.0	-138.34	327.88	6.10	-132.24
O=C([O-])C1([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCCCC1	REAL300010920122	1	36	-2.0	-142.39	311.83	6.67	-135.72
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)C(F)=C1	REAL300010920127	1	42	-2.0	-111.45	354.25	1.42	-110.03
O=C([O-])C1([N-]S(=O)(=O)C2=CC=CC(F)=C2F)CCCCC1	REAL300010920147	1	34	-2.0	-138.06	290.23	5.55	-132.51
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)C(F)=C1	REAL300010920178	0	35	-2.0	-128.87	307.74	6.08	-122.79
O=C([O-])C1([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCCCC1	REAL300010920193	1	35	-2.0	-140.23	291.28	5.93	-134.30
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCCCC1	REAL300010920224	0	39	-2.0	-97.27	329.29	3.66	-93.61
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCCCC1	REAL300010920224	1	39	-2.0	-97.22	329.34	3.65	-93.57
CC1=C(Br)SC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=N1	REAL300010920229	0	33	-2.0	-127.01	306.60	3.72	-123.29
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCCCC1	REAL300010920237	0	34	-2.0	-118.38	305.72	5.88	-112.50
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCCCC1	REAL300010920248	1	33	-2.0	-126.21	297.30	4.84	-121.37
O=C([O-])C1([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCCCC1	REAL300010920251	1	33	-2.0	-117.59	303.87	4.64	-112.95
COC(=O)C1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)SC=N1	REAL300010920284	0	36	-2.0	-138.05	318.11	3.25	-134.80
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCCCC1	REAL300010920294	1	31	-2.0	-123.42	282.91	4.17	-119.25
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCCCC1	REAL300010920305	1	34	-2.0	-133.75	294.45	6.18	-127.57
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCCCC1	REAL300010920359	1	34	-2.0	-121.54	313.08	6.52	-115.02
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCCCC1	REAL300010920374	0	34	-2.0	-129.06	299.53	5.81	-123.25
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CCCCC1	REAL300010920389	1	36	-2.0	-114.40	331.72	7.00	-107.40
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)C(N)=NO1	REAL300010920408	1	35	-2.0	-118.38	286.47	2.82	-115.56
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCCCC1	REAL300010920411	0	36	-2.0	-122.81	328.49	6.69	-116.12
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCCCC1	REAL300010920413	1	36	-2.0	-118.12	324.61	6.54	-111.58
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCCCC1	REAL300010920414	1	34	-2.0	-119.46	308.46	6.78	-112.68
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)S1	REAL300010920421	1	37	-2.0	-101.42	312.11	1.21	-100.21
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCCCC1	REAL300010920445	0	34	-2.0	-128.41	300.68	6.27	-122.14
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCCCC1	REAL300010920451	1	34	-2.0	-132.84	300.64	6.01	-126.83
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CCCCC1	REAL300010920454	1	36	-2.0	-126.77	325.90	7.24	-119.53
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1	REAL300010920457	0	42	-2.0	-127.13	345.71	6.83	-120.30
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=C(Br)N1C	REAL300010920481	1	37	-2.0	-136.52	319.02	4.85	-131.67
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCCCC1	REAL300010920485	0	38	-2.0	-108.83	323.39	3.84	-104.99
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)C(C(F)(F)F)=N1	REAL300010920518	1	37	-2.0	-130.19	316.04	4.20	-125.99
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCCCC1	REAL300010920519	1	36	-2.0	-113.62	323.29	7.19	-106.43
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CS2)CCCCC1	REAL300010920521	1	31	-2.0	-136.95	275.12	4.53	-132.42
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCCC1	REAL300010920535	1	37	-2.0	-127.82	314.64	5.90	-121.92
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCCCC1	REAL300010920536	1	37	-2.0	-134.31	329.61	7.48	-126.83
O=C([O-])C1([N-]S(=O)(=O)C2=CNN=C2Cl)CCCCC1	REAL300010920541	1	31	-2.0	-125.25	276.72	2.24	-123.01
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CS2)CCCCC1	REAL300010920543	1	31	-2.0	-129.01	283.17	5.00	-124.01
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=C1F	REAL300010920581	1	40	-2.0	-136.80	353.46	6.65	-130.15
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2Br)CCCCC1	REAL300010920611	1	33	-2.0	-131.40	289.57	4.32	-127.08
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=C1F	REAL300010920621	1	40	-2.0	-135.93	343.14	6.21	-129.72
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)O1	REAL300010920631	1	40	-2.0	-124.58	335.74	4.83	-119.75
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CCCCC1	REAL300010920641	1	33	-2.0	-128.84	300.40	4.13	-124.71
COC(=O)C1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)OC=C1	REAL300010920645	0	37	-2.0	-143.63	314.68	4.41	-139.22
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=N1	REAL300010920648	0	36	-2.0	-147.63	306.81	4.29	-143.34
CC1=NSC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=C1	REAL300010920653	1	33	-2.0	-123.17	286.78	3.76	-119.41
O=C([O-])C1([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCCCC1	REAL300010920656	1	34	-2.0	-126.66	295.47	2.96	-123.70
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)NC=N2)CCCCC1	REAL300010920676	1	31	-2.0	-132.61	277.93	3.45	-129.16
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCCCC1	REAL300010920678	1	33	-2.0	-120.33	303.05	4.61	-115.72
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCCCC1	REAL300010920679	1	33	-2.0	-128.46	295.80	4.06	-124.40
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)N=C2F)CCCCC1	REAL300010920680	1	33	-2.0	-127.25	285.35	3.57	-123.68
CN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=C1C(F)(F)F	REAL300010920699	1	37	-2.0	-124.25	312.37	4.04	-120.21
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2[O-])CCCCC1	REAL300010920710	0	35	-2.0	-110.74	291.07	2.91	-107.83
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1	REAL300010920712	1	37	-2.0	-146.72	309.58	2.88	-143.84
O=C([O-])C1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)CC1	REAL300010920755	0	42	-2.0	-108.68	312.63	5.16	-103.52
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=CO2)CCCCC1	REAL300010920765	0	31	-2.0	-130.31	282.52	4.05	-126.26
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1	REAL300010920775	1	38	-2.0	-134.58	314.72	6.04	-128.54
CC1=CSC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=N1	REAL300010920787	1	33	-2.0	-134.03	286.88	3.05	-130.98
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300010920805	0	37	-2.0	-113.92	312.37	5.18	-108.74
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCCCC1	REAL300010920807	1	37	-2.0	-141.27	307.88	4.50	-136.77
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCCC1	REAL300010920810	0	35	-2.0	-106.09	317.42	3.91	-102.18
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCCCC1	REAL300010920844	1	31	-2.0	-123.42	282.91	4.17	-119.25
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCCCC1	REAL300010920873	1	34	-2.0	-120.77	302.39	4.66	-116.11
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2[O-])CCCCC1	REAL300010920894	0	35	-2.0	-110.74	291.07	2.91	-107.83
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CCCCC1	REAL300010920899	0	34	-2.0	-131.30	308.25	6.31	-124.99
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCCC1	REAL300010920900	1	36	-2.0	-126.58	319.45	4.71	-121.87
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)O2)CCCCC1	REAL300010920902	1	31	-2.0	-122.67	278.27	4.06	-118.61
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCCC1	REAL300010920904	1	36	-2.0	-126.58	319.45	4.71	-121.87
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCCCC1	REAL300010920908	1	34	-2.0	-127.71	305.99	6.04	-121.67
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=C(C2=CC=CC=C2)O1	REAL300010920921	1	43	-2.0	-147.97	354.75	4.40	-143.57
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=N1	REAL300010920938	1	36	-2.0	-130.51	299.30	2.29	-128.22
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300010920947	1	40	-2.0	-109.94	332.64	2.77	-107.17
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)=N[N-]1	REAL300010920947	1	40	-2.0	-110.12	332.99	2.76	-107.36
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)=C1	REAL300010920949	0	37	-2.0	-119.21	333.10	4.72	-114.49
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)C(F)=C1	REAL300010920953	1	38	-2.0	-136.18	316.43	4.98	-131.20
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCCCC1	REAL300010920958	1	31	-2.0	-120.58	303.36	5.55	-115.03
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1	REAL300010920967	1	37	-2.0	-146.72	309.58	2.88	-143.84
O=C([O-])C1([N-]S(=O)(=O)C2=NC=C(Br)C=N2)CCCCC1	REAL300010920998	0	32	-2.0	-131.19	291.47	3.25	-127.94
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])O1	REAL300010922012	1	37	-2.0	-120.06	327.05	3.59	-116.47
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010922023	1	30	-2.0	-121.93	292.13	2.79	-119.14
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])OC=C1	REAL300010922027	0	34	-2.0	-129.57	305.08	3.45	-126.12
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300010922031	0	33	-2.0	-133.88	297.26	3.37	-130.51
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010922039	1	31	-2.0	-117.91	283.69	1.70	-116.21
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010922058	1	28	-2.0	-123.81	268.16	2.45	-121.36
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010922060	1	30	-2.0	-113.94	295.10	3.62	-110.32
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010922061	1	30	-2.0	-121.59	287.54	2.72	-118.87
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010922062	1	30	-2.0	-120.42	277.08	2.23	-118.19
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300010922067	1	35	-2.0	-153.34	301.22	1.68	-151.66
CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010922070	1	37	-2.0	-151.98	313.32	2.05	-149.93
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010922078	0	34	-2.0	-126.40	316.40	5.59	-120.81
CN1N=CC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C1C(F)(F)F	REAL300010922079	1	34	-2.0	-116.63	303.22	3.04	-113.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010922089	0	32	-2.0	-116.48	285.30	3.63	-112.85
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010922091	1	34	-2.0	-134.46	299.86	2.06	-132.40
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010922095	1	40	-2.0	-152.92	333.86	2.44	-150.48
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300010922112	1	35	-2.0	-128.99	317.85	4.68	-124.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010922137	0	39	-2.0	-112.80	318.60	3.91	-108.89
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010922147	0	28	-2.0	-119.26	272.92	3.03	-116.23
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010922159	1	35	-2.0	-122.17	308.87	5.08	-117.09
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010922182	0	34	-2.0	-115.34	328.25	3.59	-111.75
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010922186	0	34	-2.0	-109.10	301.16	4.74	-104.36
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010922189	1	34	-2.0	-132.60	299.60	3.31	-129.29
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010922192	0	32	-2.0	-108.91	309.54	4.74	-104.17
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010922223	1	28	-2.0	-117.05	273.14	3.17	-113.88
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010922250	1	31	-2.0	-115.27	292.69	3.66	-111.61
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010922268	1	36	-2.0	-125.01	332.84	5.95	-119.06
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010922272	0	32	-2.0	-116.48	285.30	3.63	-112.85
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010922273	1	37	-2.0	-118.10	345.71	5.70	-112.40
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010922279	0	31	-2.0	-122.28	300.10	5.04	-117.24
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010922280	1	33	-2.0	-120.04	311.17	3.39	-116.65
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010922283	1	33	-2.0	-120.04	311.17	3.39	-116.65
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010922285	1	35	-2.0	-130.42	320.78	5.40	-125.02
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010922288	1	31	-2.0	-118.25	297.13	4.82	-113.43
CC1=NC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010922300	1	40	-2.0	-135.96	343.02	3.42	-132.54
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010922321	1	37	-2.0	-105.52	330.52	2.01	-103.51
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=N[N-]1	REAL300010922321	1	37	-2.0	-105.39	330.66	2.02	-103.37
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010922323	0	34	-2.0	-114.63	324.18	3.49	-111.14
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010922326	1	35	-2.0	-121.81	323.03	5.66	-116.15
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010922328	1	35	-2.0	-127.41	308.31	3.70	-123.71
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010922333	1	28	-2.0	-110.97	295.25	4.51	-106.46
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010922342	1	34	-2.0	-134.46	299.86	2.06	-132.40
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010922373	0	29	-2.0	-122.82	283.09	2.22	-120.60
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010922376	1	30	-2.0	-126.83	276.51	3.21	-123.62
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010922381	1	40	-2.0	-102.21	347.75	1.71	-100.50
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010922385	0	30	-2.0	-124.92	289.65	3.30	-121.62
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010922410	1	33	-2.0	-126.54	291.85	4.01	-122.53
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010922416	0	30	-2.0	-117.83	296.87	3.85	-113.98
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010922430	1	37	-2.0	-119.76	334.68	6.23	-113.53
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010922432	1	37	-2.0	-137.43	321.98	5.96	-131.47
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010922438	0	27	-2.0	-111.05	273.72	2.64	-108.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010922448	0	36	-2.0	-120.92	321.19	4.39	-116.53
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(C)(=O)=O)C=C1F	REAL300010922862	1	42	-2.0	-96.68	371.07	1.07	-95.61
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010922957	0	39	-2.0	-107.07	362.98	3.14	-103.93
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010922957	1	39	-2.0	-107.03	363.04	3.13	-103.90
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300010923150	1	37	-2.0	-96.91	347.02	0.43	-96.48
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010923214	0	38	-2.0	-106.84	346.35	3.81	-103.03
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010923434	0	35	-2.0	-108.06	314.02	2.87	-105.19
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010923476	0	42	-2.0	-101.44	349.19	3.72	-97.72
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010923525	0	37	-2.0	-110.04	335.85	4.64	-105.40
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010923530	0	35	-2.0	-105.90	340.36	3.87	-102.03
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010923615	0	35	-2.0	-108.06	314.02	2.87	-105.19
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300010923667	1	40	-2.0	-99.64	364.00	1.84	-97.80
CCOC(=O)C1=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=N[N-]1	REAL300010923667	1	40	-2.0	-99.60	364.10	1.83	-97.77
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])S1	REAL300010923730	1	43	-2.0	-100.21	382.13	1.77	-98.44
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1[O-]	REAL300010923807	1	38	-2.0	-100.94	329.03	3.48	-97.46
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010923808	0	39	-2.0	-112.65	351.51	4.04	-108.61
O=C([O-])[C@]12CN(S(=O)(=O)C3=NC=C[N-]3)C[C@H]1C1=CC=CC=C1OC2	REAL300010924084	0	37	-2.0	-100.75	323.68	3.08	-97.67
O=C([O-])[C@]12CN(S(=O)(=O)C3=CC(F)=CC=C3[O-])C[C@H]1C1=CC=CC=C1OC2	REAL300010924101	0	41	-2.0	-105.02	353.83	5.67	-99.35
O=C([O-])[C@]12CN(S(=O)(=O)C3=CC(F)=CC=C3[O-])C[C@H]1C1=CC=CC=C1OC2	REAL300010924156	0	41	-2.0	-105.02	353.83	5.67	-99.35
CC1=CC=C([O-])C(S(=O)(=O)N2C[C@H]3C4=CC=CC=C4OC[C@@]3(C(=O)[O-])C2)=C1	REAL300010924227	1	44	-2.0	-113.46	368.84	6.27	-107.19
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010924236	0	36	-2.0	-135.06	345.26	7.29	-127.77
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010924243	1	36	-2.0	-125.69	348.68	7.14	-118.55
CN1C=NC(S(=O)(=O)[N-]C(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=C1Cl	REAL300010924265	1	36	-2.0	-129.23	352.30	6.64	-122.59
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])O1	REAL300010924288	1	39	-2.0	-115.12	374.39	5.88	-109.24
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010924349	1	39	-2.0	-126.54	371.62	6.82	-119.72
COC(=O)C1=COC(S(=O)(=O)[N-]C(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=C1	REAL300010924358	1	39	-2.0	-122.27	376.64	5.77	-116.50
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010924377	1	36	-2.0	-127.69	346.62	7.22	-120.47
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010924392	1	37	-2.0	-128.62	354.39	7.30	-121.32
CC1=C(S(=O)(=O)[N-]C(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])C(N)=NO1	REAL300010924488	1	37	-2.0	-112.11	343.18	4.40	-107.71
N#CC1=CC=C(S(=O)(=O)[N-]C(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])O1	REAL300010924518	1	34	-2.0	-113.12	340.70	5.57	-107.55
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300010924539	1	33	-2.0	-128.93	335.05	6.09	-122.84
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300010924547	1	33	-2.0	-116.97	335.06	3.84	-113.13
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010924548	1	33	-2.0	-125.32	344.75	6.50	-118.82
COC(=O)C1=C(S(=O)(=O)[N-]C(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])OC=C1	REAL300010924576	0	39	-2.0	-126.81	373.99	5.90	-120.91
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=N1	REAL300010924578	0	38	-2.0	-135.37	361.92	6.10	-129.27
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)NS(=O)(=O)C1=NC=C[N-]1	REAL300010924580	0	33	-2.0	-97.30	322.56	2.76	-94.54
CC1=NSC(S(=O)(=O)[N-]C(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=C1	REAL300010924582	1	35	-2.0	-115.00	343.34	5.39	-109.61
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010924590	1	35	-2.0	-115.47	343.67	5.13	-110.34
CS(C)(=O)=NS(=O)(=O)[N-]C(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010924591	1	36	-2.0	-147.96	340.18	3.01	-144.95
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300010924592	1	40	-2.0	-157.03	367.95	4.19	-152.84
CCS(=O)(CC)=NS(=O)(=O)[N-]C(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010924596	1	42	-2.0	-154.30	379.22	4.56	-149.74
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010924602	0	37	-2.0	-106.27	342.24	5.42	-100.85
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010924603	1	39	-2.0	-139.11	367.75	4.70	-134.41
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)C1=CC=NS1	REAL300010924609	1	32	-2.0	-116.68	323.49	4.73	-111.95
CC1=CSC(S(=O)(=O)[N-]C(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=N1	REAL300010924630	1	35	-2.0	-120.53	350.59	3.95	-116.58
CN1N=NN=C1S(=O)(=O)[N-]C(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010924634	1	34	-2.0	-110.13	324.21	3.16	-106.97
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010924683	0	37	-2.0	-106.27	342.24	5.42	-100.85
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300010924685	1	33	-2.0	-117.58	334.57	5.72	-111.86
CCN1N=CC(S(=O)(=O)[N-]C(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=N1	REAL300010924700	1	38	-2.0	-121.60	355.54	3.97	-117.63
N#CC1=C(S(=O)(=O)[N-]C(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])OC=C1	REAL300010924710	1	34	-2.0	-124.17	339.44	5.50	-118.67
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010924711	1	39	-2.0	-139.11	367.75	4.70	-134.41
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)C1=NNN=C1	REAL300010924725	1	32	-2.0	-116.05	310.66	2.02	-114.03
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010924726	1	35	-2.0	-132.07	345.61	5.71	-126.36
CC1=CC=C([O-])C(S(=O)(=O)NC(CC2=CC=C([N+](=O)[O-])C=C2)C(=O)[O-])=C1	REAL300010924774	1	40	-2.0	-115.40	357.25	6.02	-109.38
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010924793	1	35	-2.0	-127.90	335.69	3.75	-124.15
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010924796	0	35	-2.0	-142.82	326.13	3.83	-138.99
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010924813	1	35	-2.0	-134.69	331.46	3.63	-131.06
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010924815	1	32	-2.0	-123.16	342.40	3.65	-119.51
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010924826	1	35	-2.0	-125.88	337.72	3.68	-122.20
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010924835	0	35	-2.0	-133.64	334.47	3.82	-129.82
CN1C=NC(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])=C1Cl	REAL300010924851	1	35	-2.0	-143.23	338.09	3.00	-140.23
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]	REAL300010924872	1	39	-2.0	-138.57	357.20	3.96	-134.61
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])O1	REAL300010924891	1	38	-2.0	-126.63	364.20	1.70	-124.93
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010924894	0	37	-2.0	-149.69	345.58	5.19	-144.50
CN1C=C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])C(=O)N(C)C1=O	REAL300010924952	1	41	-2.0	-133.48	366.13	2.52	-130.96
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]	REAL300010924963	1	41	-2.0	-149.12	372.43	2.11	-147.01
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010925019	1	38	-2.0	-137.06	354.41	3.29	-133.77
COC(=O)C1=COC(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])=C1	REAL300010925031	1	38	-2.0	-131.96	359.44	2.25	-129.71
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])O1	REAL300010925065	1	41	-2.0	-127.09	386.06	2.63	-124.46
CCN1C=C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010925076	1	40	-2.0	-138.18	374.86	3.79	-134.39
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010925077	1	37	-2.0	-143.57	357.87	4.31	-139.26
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010925091	1	35	-2.0	-139.19	331.33	3.62	-135.57
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])C(F)=C1	REAL300010925106	0	36	-2.0	-132.33	348.85	4.16	-128.17
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010925118	1	36	-2.0	-139.88	330.72	4.03	-135.85
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010925164	1	34	-2.0	-127.15	336.59	2.96	-124.19
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010925165	1	34	-2.0	-118.95	344.99	2.67	-116.28
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])SC=N1	REAL300010925198	0	37	-2.0	-133.06	359.73	1.27	-131.79
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010925207	1	32	-2.0	-129.25	323.93	2.24	-127.01
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010925216	1	35	-2.0	-142.12	335.61	4.28	-137.84
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010925273	0	35	-2.0	-132.49	340.63	3.89	-128.60
CC1=C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])C(N)=NO1	REAL300010925296	1	36	-2.0	-119.99	325.16	0.93	-119.06
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])S1	REAL300010925302	1	38	-2.0	-107.02	368.52	-0.41	-107.43
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010925323	0	35	-2.0	-131.59	341.89	4.32	-127.27
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010925328	1	35	-2.0	-133.46	339.86	4.15	-129.31
N#CC1=CC=C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])O1	REAL300010925345	1	33	-2.0	-125.26	323.48	2.05	-123.21
CN1C=C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010925379	1	38	-2.0	-132.68	357.52	2.27	-130.41
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300010925380	1	32	-2.0	-133.63	322.93	1.96	-131.67
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010925390	1	38	-2.0	-130.53	355.74	3.96	-126.57
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010925395	1	32	-2.0	-130.67	332.63	2.37	-128.30
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])O1	REAL300010925448	1	41	-2.0	-127.63	375.07	2.95	-124.68
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])OC=C1	REAL300010925456	0	38	-2.0	-142.57	351.68	2.98	-139.59
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])=N1	REAL300010925459	0	37	-2.0	-147.20	346.62	2.25	-144.95
O=C([O-])[C@H](CC1=CC=C(O)C=C1)NS(=O)(=O)C1=NC=C[N-]1	REAL300010925462	0	32	-2.0	-112.29	295.76	0.08	-112.21
CC1=NSC(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])=C1	REAL300010925464	1	34	-2.0	-126.24	328.05	1.80	-124.44
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010925466	1	35	-2.0	-127.63	340.13	0.43	-127.20
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010925481	1	32	-2.0	-139.25	318.91	1.53	-137.72
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010925483	1	34	-2.0	-122.66	344.59	2.69	-119.97
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010925484	1	34	-2.0	-127.67	334.98	2.17	-125.50
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010925485	1	34	-2.0	-127.92	326.45	1.61	-126.31
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300010925488	1	39	-2.0	-167.64	350.70	0.66	-166.98
CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]	REAL300010925493	1	41	-2.0	-167.73	363.96	0.98	-166.75
CN1N=CC(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])=C1C(F)(F)F	REAL300010925501	1	38	-2.0	-125.48	351.85	2.07	-123.41
O=C([O-])[C@H](CC1=CC=C(O)C=C1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010925509	0	36	-2.0	-111.89	326.22	2.61	-109.28
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]	REAL300010925511	1	38	-2.0	-148.87	350.57	1.18	-147.69
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]	REAL300010925514	1	44	-2.0	-166.05	381.19	1.47	-164.58
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC=NS1	REAL300010925523	1	31	-2.0	-124.07	311.39	0.60	-123.47
O=C([O-])[C@H](CC1=CC=C(O)C=C1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010925543	0	43	-2.0	-117.06	359.22	2.57	-114.49
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010925550	0	32	-2.0	-129.39	326.41	1.58	-127.81
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]	REAL300010925559	1	39	-2.0	-137.02	356.02	4.15	-132.87
CC1=CSC(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])=N1	REAL300010925566	1	34	-2.0	-132.97	328.04	1.04	-131.93
CN1N=NN=C1S(=O)(=O)[N-][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]	REAL300010925570	1	33	-2.0	-119.76	308.93	-0.43	-120.19
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])=C1	REAL300010925583	0	38	-2.0	-100.93	348.21	3.43	-97.50
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010925585	1	38	-2.0	-143.51	348.99	2.71	-140.80
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010925614	1	32	-2.0	-129.25	323.93	2.24	-127.01
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010925637	1	35	-2.0	-126.38	343.41	2.73	-123.65
O=C([O-])[C@H](CC1=CC=C(O)C=C1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010925654	0	36	-2.0	-111.89	326.22	2.61	-109.28
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300010925659	1	32	-2.0	-128.78	319.30	2.13	-126.65
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010925662	1	35	-2.0	-127.36	345.14	4.18	-123.18
CCN1N=CC(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])=N1	REAL300010925685	1	37	-2.0	-131.44	340.27	0.38	-131.06
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])=C1	REAL300010925695	1	41	-2.0	-114.08	383.52	0.88	-113.20
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])=N[N-]1	REAL300010925695	1	41	-2.0	-114.01	383.63	0.90	-113.11
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])C(F)=C1	REAL300010925699	1	39	-2.0	-136.13	362.63	2.48	-133.65
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010925701	1	32	-2.0	-120.69	344.63	3.60	-117.09
N#CC1=C(S(=O)(=O)[N-][C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])OC=C1	REAL300010925707	1	33	-2.0	-134.73	323.71	1.96	-132.77
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]	REAL300010925708	1	38	-2.0	-148.87	350.57	1.18	-147.69
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=NNN=C1	REAL300010925732	1	31	-2.0	-125.58	295.39	-1.57	-127.15
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010925733	1	34	-2.0	-139.63	333.52	1.56	-138.07
O=C([O-])[C@H](CC1=CC=C(O)C=C1)[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010925764	1	37	-2.0	-140.87	342.57	3.09	-137.78
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]	REAL300010925778	1	41	-2.0	-157.89	367.03	5.27	-152.62
CC1=CC=C([O-])C(S(=O)(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)[O-])=C1	REAL300010925808	1	39	-2.0	-121.55	341.22	3.19	-118.36
O=C([O-])CCC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300010926273	0	42	-2.0	-92.92	359.24	5.40	-87.52
O=C([O-])CCC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300010926273	1	42	-2.0	-92.92	359.30	5.40	-87.52
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300010926443	1	40	-2.0	-107.99	343.32	2.76	-105.23
O=C([O-])CCC1CCCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010926765	0	40	-2.0	-129.22	336.00	7.02	-122.20
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCCC2CCC(=O)[O-])=C1	REAL300010926870	1	43	-2.0	-115.07	358.35	4.26	-110.81
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2CCC(=O)[O-])=N[N-]1	REAL300010926870	1	43	-2.0	-115.03	358.49	4.26	-110.77
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCCC2CCC(=O)[O-])S1	REAL300010926908	1	46	-2.0	-112.76	385.74	4.29	-108.47
CC1=CC=C([O-])C(S(=O)(=O)N2CCCCC2CCC(=O)[O-])=C1	REAL300010926938	1	41	-2.0	-108.38	329.22	5.65	-102.73
CC(=O)N(CC(=O)[O-])CC1CN(S(=O)(=O)C2=NC=C[N-]2)CCO1	REAL300010927228	0	39	-2.0	-94.20	339.64	0.72	-93.48
CC(=O)N(CC(=O)[O-])CC1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CCO1	REAL300010927248	0	43	-2.0	-94.41	370.82	3.31	-91.10
CC(=O)N(CC(=O)[O-])CC1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CCO1	REAL300010927312	0	43	-2.0	-94.41	370.82	3.31	-91.10
CC(=O)N(CC(=O)[O-])CC1CN(S(=O)(=O)C2=CC(C)=CC=C2[O-])CCO1	REAL300010927387	1	46	-2.0	-101.71	385.87	3.92	-97.79
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCS(=O)(=O)CC2C(=O)[O-])S1	REAL300010927934	1	34	-2.0	-110.12	319.51	-2.02	-112.14
O=C([O-])C1CS(=O)(=O)CCN1S(=O)(=O)C1=NC=C[N-]1	REAL300010928097	0	28	-2.0	-116.14	258.48	-1.53	-117.67
O=C([O-])C1CS(=O)(=O)CCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010928144	0	32	-2.0	-105.20	290.73	0.30	-104.90
O=C([O-])C1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2C(=O)[O-])CC1	REAL300010928179	0	39	-2.0	-106.67	322.94	1.24	-105.43
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCS(=O)(=O)CC2C(=O)[O-])=C1	REAL300010928219	0	34	-2.0	-124.04	312.62	2.28	-121.76
O=C([O-])C1CS(=O)(=O)CCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010928292	0	32	-2.0	-105.20	290.73	0.30	-104.90
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCS(=O)(=O)CC2C(=O)[O-])=C1	REAL300010928334	1	37	-2.0	-114.41	336.73	-0.06	-114.47
CCOC(=O)C1=CC(S(=O)(=O)N2CCS(=O)(=O)CC2C(=O)[O-])=N[N-]1	REAL300010928334	1	37	-2.0	-114.37	336.90	-0.07	-114.44
CC1=CC=C([O-])C(S(=O)(=O)N2CCS(=O)(=O)CC2C(=O)[O-])=C1	REAL300010928449	1	35	-2.0	-110.27	305.81	0.90	-109.37
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCOCC1	REAL300010928471	1	35	-2.0	-117.64	305.42	3.46	-114.18
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCOCC1	REAL300010928474	0	35	-2.0	-128.64	296.32	3.57	-125.07
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCOCC1	REAL300010928498	1	35	-2.0	-119.24	299.25	3.41	-115.83
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCOCC1	REAL300010928500	1	32	-2.0	-108.30	308.17	3.37	-104.93
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCOCC1	REAL300010928512	1	35	-2.0	-110.26	305.53	3.46	-106.80
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCOCC1	REAL300010928524	0	35	-2.0	-117.27	302.72	3.65	-113.62
CN1C=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=C1Cl	REAL300010928543	1	35	-2.0	-127.64	306.52	2.81	-124.83
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1	REAL300010928578	1	39	-2.0	-118.65	325.45	3.73	-114.92
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)O1	REAL300010928614	1	38	-2.0	-111.79	327.21	2.02	-109.77
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCOCC1	REAL300010928617	0	37	-2.0	-140.40	312.57	5.16	-135.24
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCOCC1	REAL300010928621	1	35	-2.0	-125.04	307.46	4.23	-120.81
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCOCC1	REAL300010928655	1	37	-2.0	-134.22	316.10	5.76	-128.46
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)CCOCC1	REAL300010928696	1	34	-2.0	-108.04	311.41	2.39	-105.65
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C(=O)N(C)C1=O	REAL300010928703	1	41	-2.0	-115.40	335.32	2.12	-113.28
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1	REAL300010928719	1	41	-2.0	-135.88	341.97	1.73	-134.15
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCOCC1	REAL300010928746	1	37	-2.0	-128.69	325.63	5.37	-123.32
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCOCC1	REAL300010928786	1	38	-2.0	-129.29	318.14	3.68	-125.61
COC(=O)C1=COC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=C1	REAL300010928797	1	38	-2.0	-119.52	328.56	2.02	-117.50
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)O1	REAL300010928832	1	41	-2.0	-117.73	349.21	3.01	-114.72
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)C=CS2)CCOCC1	REAL300010928839	1	32	-2.0	-115.73	296.31	3.05	-112.68
CCN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C([N+](=O)[O-])=N1	REAL300010928847	1	40	-2.0	-116.84	334.08	3.93	-112.91
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCOCC1	REAL300010928848	1	37	-2.0	-120.19	319.73	4.60	-115.59
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=CC(F)=C2F)CCOCC1	REAL300010928870	1	35	-2.0	-126.22	299.12	3.40	-122.82
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C(F)=C1	REAL300010928894	0	36	-2.0	-116.10	317.08	3.97	-112.13
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCOCC1	REAL300010928909	1	36	-2.0	-130.73	306.41	3.99	-126.74
CC1=C(Br)SC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=N1	REAL300010928945	0	34	-2.0	-114.56	316.17	1.56	-113.00
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCOCC1	REAL300010928953	0	35	-2.0	-107.20	315.06	3.77	-103.43
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCOCC1	REAL300010928962	1	34	-2.0	-112.34	306.78	2.73	-109.61
O=C([O-])CC1([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCOCC1	REAL300010928963	1	34	-2.0	-106.41	311.00	2.38	-104.03
COC(=O)C1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)SC=N1	REAL300010928998	0	37	-2.0	-119.13	318.39	1.41	-117.72
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCOCC1	REAL300010929007	1	32	-2.0	-111.76	292.05	1.95	-109.81
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCOCC1	REAL300010929017	1	35	-2.0	-125.65	303.87	4.10	-121.55
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCOCC1	REAL300010929074	1	35	-2.0	-111.54	319.86	4.28	-107.26
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCOCC1	REAL300010929087	0	35	-2.0	-118.77	309.80	3.69	-115.08
CC1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C(N)=NO1	REAL300010929115	1	36	-2.0	-109.50	295.45	0.68	-108.82
O=C([O-])CC1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCOCC1	REAL300010929116	0	37	-2.0	-109.68	337.24	4.51	-105.17
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCOCC1	REAL300010929118	1	37	-2.0	-108.08	334.88	4.39	-103.69
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCOCC1	REAL300010929119	1	35	-2.0	-108.25	317.82	4.69	-103.56
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)S1	REAL300010929125	1	38	-2.0	-107.50	323.04	-0.66	-108.16
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCOCC1	REAL300010929147	0	35	-2.0	-123.94	310.16	4.16	-119.78
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCOCC1	REAL300010929152	1	35	-2.0	-119.71	309.55	3.86	-115.85
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1	REAL300010929158	0	43	-2.0	-117.26	354.70	4.75	-112.51
N#CC1=CC=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)O1	REAL300010929172	1	33	-2.0	-113.99	291.73	1.84	-112.15
CC1=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=C(Br)N1C	REAL300010929178	1	38	-2.0	-132.09	329.55	2.69	-129.40
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCOCC1	REAL300010929182	0	39	-2.0	-99.62	323.91	2.71	-96.91
CN1C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C(C(F)(F)F)=N1	REAL300010929208	1	38	-2.0	-119.93	323.02	2.03	-117.90
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCOCC1	REAL300010929209	1	37	-2.0	-117.95	331.51	5.40	-112.55
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CS2)CCOCC1	REAL300010929211	1	32	-2.0	-119.79	284.42	2.41	-117.38
O=C([O-])CC1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCOCC1	REAL300010929226	1	38	-2.0	-121.37	324.55	3.75	-117.62
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCOCC1	REAL300010929227	1	38	-2.0	-123.74	339.10	5.36	-118.38
O=C([O-])CC1([N-]S(=O)(=O)C2=CNN=C2Cl)CCOCC1	REAL300010929231	1	32	-2.0	-114.01	284.76	0.05	-113.96
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Cl)C=CS2)CCOCC1	REAL300010929233	1	32	-2.0	-116.76	292.54	2.92	-113.84
O=C([O-])CC1([N-]S(=O)(=O)C2=NC=CC=C2Br)CCOCC1	REAL300010929294	1	34	-2.0	-125.86	300.33	2.08	-123.78
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=C1F	REAL300010929302	1	41	-2.0	-125.17	352.15	4.02	-121.15
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)O1	REAL300010929312	1	41	-2.0	-120.19	345.82	2.66	-117.53
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CCOCC1	REAL300010929319	1	34	-2.0	-110.97	309.77	1.97	-109.00
COC(=O)C1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)OC=C1	REAL300010929323	0	38	-2.0	-127.39	321.16	2.63	-124.76
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=N1	REAL300010929325	0	37	-2.0	-133.35	316.19	2.15	-131.20
CC1=NSC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=C1	REAL300010929330	1	34	-2.0	-114.01	296.29	1.59	-112.42
O=C([O-])CC1([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCOCC1	REAL300010929333	1	35	-2.0	-110.04	300.41	0.73	-109.31
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)NC=N2)CCOCC1	REAL300010929353	1	32	-2.0	-126.19	288.29	1.24	-124.95
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCOCC1	REAL300010929355	1	34	-2.0	-110.03	309.73	2.36	-107.67
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCOCC1	REAL300010929356	1	34	-2.0	-110.50	305.17	1.90	-108.60
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(F)N=C2F)CCOCC1	REAL300010929357	1	34	-2.0	-109.02	294.72	1.41	-107.61
CS(C)(=O)=NS(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1	REAL300010929360	1	35	-2.0	-149.08	293.16	-0.79	-149.87
O=C([O-])CC1([N-]S(=O)(=O)N=S2(=O)CCCC2)CCOCC1	REAL300010929361	1	39	-2.0	-152.76	316.67	0.59	-152.17
CCS(=O)(CC)=NS(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1	REAL300010929367	1	41	-2.0	-151.20	332.20	0.86	-150.34
CN1N=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=C1C(F)(F)F	REAL300010929377	1	38	-2.0	-112.12	318.58	1.83	-110.29
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=CC=C2[O-])CCOCC1	REAL300010929387	0	36	-2.0	-96.61	285.63	2.30	-94.31
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1	REAL300010929389	1	38	-2.0	-135.21	320.11	0.81	-134.40
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1	REAL300010929392	1	44	-2.0	-151.93	351.36	1.30	-150.63
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=NS2)CCOCC1	REAL300010929403	1	31	-2.0	-112.89	274.53	1.00	-111.89
O=C([O-])CC1(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCOCC1	REAL300010929425	0	43	-2.0	-102.47	322.03	3.07	-99.40
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)C=CO2)CCOCC1	REAL300010929433	0	32	-2.0	-117.98	289.55	1.98	-116.00
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1	REAL300010929443	1	39	-2.0	-122.43	324.28	3.91	-118.52
CC1=CSC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=N1	REAL300010929453	1	34	-2.0	-124.46	296.45	0.83	-123.63
CN1N=NN=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1	REAL300010929457	1	33	-2.0	-107.86	278.64	-0.72	-108.58
O=C([O-])CC1(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CCOCC1	REAL300010929471	0	38	-2.0	-105.53	306.71	3.53	-102.00
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCOCC1	REAL300010929473	1	38	-2.0	-126.54	317.24	2.49	-124.05
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOCC1	REAL300010929476	0	36	-2.0	-97.67	317.94	2.78	-94.89
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCOCC1	REAL300010929506	1	32	-2.0	-111.76	292.05	1.95	-109.81
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCOCC1	REAL300010929534	1	35	-2.0	-115.48	311.65	2.52	-112.96
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=CC=C2[O-])CCOCC1	REAL300010929557	0	36	-2.0	-96.61	285.63	2.30	-94.31
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCOCC1	REAL300010929561	1	37	-2.0	-116.24	328.43	2.56	-113.68
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(Cl)O2)CCOCC1	REAL300010929562	1	32	-2.0	-110.98	287.41	1.84	-109.14
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCOCC1	REAL300010929564	1	37	-2.0	-116.24	328.43	2.56	-113.68
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCOCC1	REAL300010929568	1	35	-2.0	-116.31	314.88	3.89	-112.42
CC1=NC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=C(C2=CC=CC=C2)O1	REAL300010929580	1	44	-2.0	-136.97	363.84	2.26	-134.71
CCN1N=CC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=N1	REAL300010929596	1	37	-2.0	-119.42	308.66	0.14	-119.28
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)=C1	REAL300010929606	1	41	-2.0	-104.65	336.91	1.43	-103.22
CCOC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)=N[N-]1	REAL300010929606	1	41	-2.0	-104.55	337.06	1.43	-103.12
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)=C1	REAL300010929608	0	38	-2.0	-114.02	343.23	2.56	-111.46
COC1=CC(F)=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)C(F)=C1	REAL300010929612	1	39	-2.0	-123.29	325.79	2.88	-120.41
O=C([O-])CC1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCOCC1	REAL300010929616	1	32	-2.0	-107.23	312.87	3.40	-103.83
N#CC1=C(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)OC=C1	REAL300010929624	1	33	-2.0	-118.40	292.12	1.73	-116.67
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1	REAL300010929625	1	38	-2.0	-135.21	320.11	0.81	-134.40
O=C([O-])CC1([N-]S(=O)(=O)C2=NC=C(Br)C=N2)CCOCC1	REAL300010929654	0	33	-2.0	-119.31	301.15	1.00	-118.31
O=C([O-])CC1([N-]S(=O)(=O)C2=NC=CC=C2Cl)CCOCC1	REAL300010929657	1	34	-2.0	-126.64	296.66	1.96	-124.68
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)S1	REAL300010929662	1	44	-2.0	-102.40	355.08	0.49	-101.91
O=C([O-])CC1([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CCOCC1	REAL300010929665	0	34	-2.0	-122.77	309.68	2.05	-120.72
O=C([O-])CC1([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CCOCC1	REAL300010929695	1	37	-2.0	-129.96	313.63	2.59	-127.37
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1	REAL300010929715	1	41	-2.0	-143.66	339.53	5.12	-138.54
O=C([O-])CC1([N-]S(=O)(=O)C2=C(Br)C=NS2)CCOCC1	REAL300010929720	0	31	-2.0	-108.42	291.74	1.72	-106.70
O=C([O-])CC1([N-]S(=O)(=O)C2=NC=CC=C2C(F)F)CCOCC1	REAL300010929731	1	37	-2.0	-139.47	308.64	2.49	-136.98
O=C([O-])CC1([N-]S(=O)(=O)C2=CN=CS2)CCOCC1	REAL300010929733	1	31	-2.0	-112.94	274.37	0.42	-112.52
CC1=CC=C([O-])C(S(=O)(=O)NC2(CC(=O)[O-])CCOCC2)=C1	REAL300010929740	1	39	-2.0	-107.62	306.62	2.38	-105.24
O=C([O-])CC1(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CCOCC1	REAL300010929741	0	40	-2.0	-98.94	328.29	2.83	-96.11
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300010930419	1	35	-2.0	-89.22	327.57	0.03	-89.19
O=C([O-])C(=O)N1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010930476	0	36	-2.0	-85.02	324.97	3.41	-81.61
O=C([O-])C(=O)N1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010930680	0	33	-2.0	-86.18	292.63	2.47	-83.71
O=C([O-])C(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010930719	0	40	-2.0	-93.84	331.38	3.36	-90.48
O=C([O-])C(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CC1	REAL300010930765	0	35	-2.0	-94.48	315.04	4.21	-90.27
O=C([O-])C(=O)N1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010930770	0	33	-2.0	-83.73	318.47	3.32	-80.41
O=C([O-])C(=O)N1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010930851	0	33	-2.0	-86.18	292.63	2.47	-83.71
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)=C1	REAL300010930900	1	38	-2.0	-89.83	342.99	1.43	-88.40
CCOC(=O)C1=CC(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)=N[N-]1	REAL300010930900	1	38	-2.0	-89.81	343.09	1.43	-88.38
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)S1	REAL300010930956	1	41	-2.0	-90.70	364.11	1.45	-89.25
CC1=CC=C([O-])C(S(=O)(=O)N2CCN(C(=O)C(=O)[O-])CC2)=C1	REAL300010931032	1	36	-2.0	-92.18	307.65	3.07	-89.11
O=C([O-])C(=O)N1CCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010931033	0	37	-2.0	-91.89	334.38	3.59	-88.30
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)S1	REAL300010931680	1	34	-2.0	-100.21	332.04	1.30	-98.91
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C[C@H]1C(F)F	REAL300010931738	0	35	-2.0	-102.19	326.29	4.43	-97.76
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C[C@H]1C(F)F	REAL300010931926	0	32	-2.0	-103.39	293.95	3.50	-99.89
O=C([O-])[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1C(F)F	REAL300010931962	0	39	-2.0	-98.40	336.86	4.61	-93.79
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1	REAL300010932008	0	34	-2.0	-96.31	315.77	5.29	-91.02
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C(F)F	REAL300010932013	0	32	-2.0	-92.58	324.51	4.62	-87.96
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C[C@H]1C(F)F	REAL300010932096	0	32	-2.0	-103.39	293.95	3.50	-99.89
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1	REAL300010932144	1	37	-2.0	-96.83	341.72	2.47	-94.36
CCOC(=O)C1=CC(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=N[N-]1	REAL300010932144	1	37	-2.0	-96.80	341.82	2.47	-94.33
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)S1	REAL300010932197	1	40	-2.0	-89.70	371.42	2.77	-86.93
CC1=CC=C([O-])C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)=C1	REAL300010932272	1	35	-2.0	-111.92	308.95	4.09	-107.83
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCCC(O)(C(=O)[O-])C2)C(F)=C1	REAL300010932692	1	40	-2.0	-95.91	354.72	-0.77	-96.68
O=C([O-])C1(O)CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010932788	0	37	-2.0	-107.90	341.66	1.58	-106.32
O=C([O-])C1(O)CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010932788	1	37	-2.0	-107.87	341.72	1.57	-106.30
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300010932986	1	35	-2.0	-98.33	325.17	-1.10	-99.43
O=C([O-])C1(O)CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010933051	0	36	-2.0	-103.61	317.69	3.19	-100.42
O=C([O-])C1(O)CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010933276	0	33	-2.0	-104.77	285.35	2.25	-102.52
O=C([O-])C1CCN(S(=O)(=O)N2CCCC(O)(C(=O)[O-])C2)CC1	REAL300010933320	0	40	-2.0	-98.93	330.55	2.28	-96.65
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300010933370	0	35	-2.0	-95.30	307.53	3.19	-92.11
O=C([O-])C1(O)CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010933375	0	33	-2.0	-89.41	316.66	2.20	-87.21
O=C([O-])C1(O)CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010933461	0	33	-2.0	-104.77	285.35	2.25	-102.52
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300010933513	1	38	-2.0	-99.20	340.16	0.20	-99.00
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC(O)(C(=O)[O-])C2)=N[N-]1	REAL300010933513	1	38	-2.0	-99.16	340.26	0.20	-98.96
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCC(O)(C(=O)[O-])C2)S1	REAL300010933576	1	41	-2.0	-96.97	364.25	0.36	-96.61
CC1=CC=C([O-])C(S(=O)(=O)N2CCCC(O)(C(=O)[O-])C2)=C1	REAL300010933654	1	36	-2.0	-100.43	307.01	1.81	-98.62
O=C([O-])C1(O)CCCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010933655	0	37	-2.0	-97.44	331.94	2.45	-94.99
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C2=CC=CC=C21	REAL300010933719	1	35	-2.0	-108.43	324.17	6.33	-102.10
CN1C=NC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)=C1Cl	REAL300010933736	1	35	-2.0	-119.47	327.73	5.48	-113.99
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C2=CC=CC=C21	REAL300010933758	1	39	-2.0	-112.95	346.89	6.45	-106.50
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)O1	REAL300010933779	1	38	-2.0	-105.70	348.80	4.77	-100.93
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C2=CC=CC=C21	REAL300010933782	0	37	-2.0	-128.72	338.53	7.50	-121.22
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C2=CC=CC=C21	REAL300010933809	1	37	-2.0	-125.08	346.31	8.01	-117.07
CN1C=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)C(=O)N(C)C1=O	REAL300010933843	1	41	-2.0	-114.64	354.69	4.72	-109.92
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C2=CC=CC=C21	REAL300010933855	1	41	-2.0	-126.56	366.25	4.39	-122.17
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C2=CC=CC=C21	REAL300010933877	1	37	-2.0	-112.17	345.00	7.97	-104.20
COC(=O)C1=COC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300010933930	1	38	-2.0	-109.65	349.12	4.72	-104.93
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)O1	REAL300010933964	1	41	-2.0	-106.01	370.66	5.70	-100.31
CCN1C=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)C([N+](=O)[O-])=N1	REAL300010933975	1	40	-2.0	-115.29	357.50	6.71	-108.58
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C2=CC=CC=C21	REAL300010933976	1	37	-2.0	-119.47	342.64	7.34	-112.13
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)C(F)=C1	REAL300010934009	0	36	-2.0	-106.31	336.50	6.58	-99.73
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C2=CC=CC=C21	REAL300010934022	1	36	-2.0	-118.08	325.06	6.73	-111.35
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C2=CC=CC=C21	REAL300010934070	1	34	-2.0	-106.85	325.34	5.30	-101.55
COC(=O)C1=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)SC=N1	REAL300010934104	0	37	-2.0	-115.16	349.43	3.73	-111.43
O=C([O-])C1CC([N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C2=CC=CC=C21	REAL300010934131	1	34	-2.0	-101.22	327.55	5.62	-95.60
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C2=CC=CC=C21	REAL300010934181	0	35	-2.0	-106.71	327.46	6.27	-100.44
CC1=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)C(N)=NO1	REAL300010934205	1	36	-2.0	-101.84	317.41	3.34	-98.50
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)S1	REAL300010934211	1	38	-2.0	-89.28	344.24	1.97	-87.31
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C2=CC=CC=C21	REAL300010934233	1	35	-2.0	-110.97	331.60	6.84	-104.13
N#CC1=CC=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)O1	REAL300010934255	1	33	-2.0	-103.07	313.18	4.52	-98.55
CN1C=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)C(C(F)(F)F)=N1	REAL300010934289	1	38	-2.0	-109.59	345.79	4.74	-104.85
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)O1	REAL300010934363	1	41	-2.0	-106.71	366.68	5.35	-101.36
COC(=O)C1=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)OC=C1	REAL300010934372	0	38	-2.0	-120.44	345.53	5.26	-115.18
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300010934375	0	37	-2.0	-122.48	337.59	4.82	-117.66
O=C([O-])C1CC(NS(=O)(=O)C2=NC=C[N-]2)C2=CC=CC=C21	REAL300010934378	0	32	-2.0	-91.91	285.61	2.09	-89.82
CC1=NSC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300010934381	1	34	-2.0	-106.59	321.88	4.09	-102.50
O=C([O-])C1CC([N-]S(=O)(=O)N=S2(=O)CCCC2)C2=CC=CC=C21	REAL300010934405	1	39	-2.0	-141.21	344.54	3.08	-138.13
CCS(=O)(CC)=NS(=O)(=O)[N-]C1CC(C(=O)[O-])C2=CC=CC=C21	REAL300010934410	1	41	-2.0	-136.32	353.65	3.58	-132.74
CN1N=CC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)=C1C(F)(F)F	REAL300010934418	1	38	-2.0	-105.51	342.38	4.61	-100.90
O=C([O-])C1CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C2=CC=CC=C21	REAL300010934426	0	36	-2.0	-95.83	318.88	5.29	-90.54
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C2=CC=CC=C21	REAL300010934428	1	38	-2.0	-125.19	341.53	3.57	-121.62
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C1CC(C(=O)[O-])C2=CC=CC=C21	REAL300010934431	1	44	-2.0	-135.94	372.81	4.00	-131.94
O=C([O-])C1CC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C21	REAL300010934461	0	43	-2.0	-96.62	344.84	5.76	-90.86
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C2=CC=CC=C21	REAL300010934476	1	39	-2.0	-112.28	349.20	6.65	-105.63
CC1=CSC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300010934483	1	34	-2.0	-111.48	321.68	3.37	-108.11
CN1N=NN=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C2=CC=CC=C21	REAL300010934487	1	33	-2.0	-98.66	301.72	1.91	-96.75
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300010934501	0	38	-2.0	-99.91	341.28	6.69	-93.22
O=C([O-])C1CC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C2=CC=CC=C21	REAL300010934575	0	36	-2.0	-95.83	318.88	5.29	-90.54
CC1=NC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)=C(C2=CC=CC=C2)O1	REAL300010934595	1	44	-2.0	-123.58	385.38	4.95	-118.63
CCN1N=CC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300010934609	1	37	-2.0	-110.09	334.10	2.66	-107.43
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300010934619	1	41	-2.0	-95.37	369.08	3.76	-91.61
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=N[N-]1	REAL300010934619	1	41	-2.0	-95.31	369.23	3.77	-91.54
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300010934621	0	38	-2.0	-104.42	367.96	5.08	-99.34
COC1=CC(F)=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)C(F)=C1	REAL300010934624	1	39	-2.0	-113.97	347.23	5.56	-108.41
N#CC1=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C3=CC=CC=C32)OC=C1	REAL300010934632	1	33	-2.0	-110.63	315.24	4.28	-106.35
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C2=CC=CC=C21	REAL300010934633	1	38	-2.0	-125.19	341.53	3.57	-121.62
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C2=CC=CC=C21	REAL300010934706	1	41	-2.0	-124.16	358.58	7.62	-116.54
CC1=CC=C([O-])C(S(=O)(=O)NC2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300010934736	1	39	-2.0	-99.05	335.98	5.13	-93.92
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C1=O	REAL300010934750	1	38	-2.0	-120.51	340.68	6.24	-114.27
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C1=O	REAL300010934754	1	38	-2.0	-115.07	328.63	5.83	-109.24
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C1=O	REAL300010934757	0	38	-2.0	-130.23	325.58	5.23	-125.00
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C1=O	REAL300010934773	1	38	-2.0	-126.26	322.45	5.77	-120.49
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1=O	REAL300010934784	1	38	-2.0	-116.75	328.74	5.83	-110.92
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1=O	REAL300010934792	0	38	-2.0	-122.21	325.44	5.99	-116.22
CN1C=NC(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)=C1Cl	REAL300010934807	1	38	-2.0	-132.96	329.62	5.14	-127.82
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1CCCCN(CC(=O)[O-])C1=O	REAL300010934826	1	42	-2.0	-125.24	354.60	5.43	-119.81
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)O1	REAL300010934845	1	41	-2.0	-120.81	350.69	4.43	-116.38
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1=O	REAL300010934848	0	40	-2.0	-136.18	337.12	7.31	-128.87
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)C1=O	REAL300010934892	1	37	-2.0	-113.50	335.68	4.79	-108.71
CN1C=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)C(=O)N(C)C1=O	REAL300010934896	1	44	-2.0	-121.24	357.78	4.51	-116.73
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CCCCN(CC(=O)[O-])C1=O	REAL300010934907	1	44	-2.0	-134.67	356.05	3.60	-131.07
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C1=O	REAL300010934960	1	41	-2.0	-130.28	340.88	6.01	-124.27
COC(=O)C1=COC(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)=C1	REAL300010934973	1	41	-2.0	-112.47	354.73	3.57	-108.90
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)O1	REAL300010935007	1	44	-2.0	-121.26	372.55	5.35	-115.91
CCN1C=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)C([N+](=O)[O-])=N1	REAL300010935017	1	43	-2.0	-122.09	360.87	6.55	-115.54
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1=O	REAL300010935018	1	40	-2.0	-127.10	343.94	7.05	-120.05
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C1=O	REAL300010935031	1	38	-2.0	-124.15	322.36	5.77	-118.38
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)C(F)=C1	REAL300010935043	0	39	-2.0	-121.39	339.84	6.31	-115.08
CN1C=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)N=C1Cl	REAL300010935046	1	38	-2.0	-127.50	331.48	4.45	-123.05
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C1=O	REAL300010935054	1	39	-2.0	-126.18	326.32	6.40	-119.78
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1=O	REAL300010935097	1	37	-2.0	-119.00	324.75	4.83	-114.17
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1=O	REAL300010935098	1	37	-2.0	-114.64	335.96	4.84	-109.80
COC(=O)C1=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)SC=N1	REAL300010935129	0	40	-2.0	-134.50	345.69	3.69	-130.81
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC=C(Br)O2)C1=O	REAL300010935136	0	35	-2.0	-120.73	315.50	4.35	-116.38
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1=O	REAL300010935144	1	38	-2.0	-129.20	326.58	6.42	-122.78
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1=O	REAL300010935200	0	38	-2.0	-121.92	331.63	6.04	-115.88
CC1=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)C(N)=NO1	REAL300010935219	1	39	-2.0	-112.06	316.97	3.03	-109.03
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2CCCCN(CC(=O)[O-])C2=O)S1	REAL300010935225	1	41	-2.0	-97.57	367.98	0.44	-97.13
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1=O	REAL300010935245	0	38	-2.0	-121.31	327.99	6.25	-115.06
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C1=O	REAL300010935248	1	38	-2.0	-125.34	332.79	6.23	-119.11
N#CC1=CC=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)O1	REAL300010935263	1	36	-2.0	-118.36	315.07	4.18	-114.18
CN1C=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)C(C(F)(F)F)=N1	REAL300010935294	1	41	-2.0	-118.79	349.14	4.51	-114.28
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=C(F)C=CS2)C1=O	REAL300010935295	1	35	-2.0	-128.20	307.16	4.78	-123.42
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1=O	REAL300010935305	1	41	-2.0	-122.99	347.32	6.09	-116.90
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CNN=C2Cl)C1=O	REAL300010935308	1	35	-2.0	-115.96	308.83	2.46	-113.50
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=C(Cl)C=CS2)C1=O	REAL300010935310	1	35	-2.0	-120.91	314.38	5.22	-115.69
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)O1	REAL300010935359	1	44	-2.0	-122.13	368.55	5.00	-117.13
COC(=O)C1=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)OC=C1	REAL300010935366	0	41	-2.0	-138.47	347.40	4.56	-133.91
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300010935369	0	40	-2.0	-142.19	339.46	4.54	-137.65
O=C([O-])CN1CCCCC(NS(=O)(=O)C2=NC=C[N-]2)C1=O	REAL300010935372	0	35	-2.0	-122.47	293.55	0.81	-121.66
CC1=NSC(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)=C1	REAL300010935374	1	37	-2.0	-116.72	319.03	3.96	-112.76
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C1=O	REAL300010935376	1	38	-2.0	-115.44	326.20	3.19	-112.25
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=C(Br)NC=N2)C1=O	REAL300010935389	1	35	-2.0	-124.20	310.16	3.58	-120.62
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1=O	REAL300010935391	1	37	-2.0	-115.59	335.57	4.85	-110.74
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C1=O	REAL300010935392	1	37	-2.0	-115.77	327.90	4.25	-111.52
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C1=O	REAL300010935393	1	37	-2.0	-114.27	317.45	3.76	-110.51
CS(C)(=O)=NS(=O)(=O)[N-]C1CCCCN(CC(=O)[O-])C1=O	REAL300010935394	0	38	-2.0	-149.32	322.43	0.79	-148.53
O=C([O-])CN1CCCCC([N-]S(=O)(=O)N=S2(=O)CCCC2)C1=O	REAL300010935395	0	42	-2.0	-149.59	339.43	2.95	-146.64
CCS(=O)(CC)=NS(=O)(=O)[N-]C1CCCCN(CC(=O)[O-])C1=O	REAL300010935400	0	44	-2.0	-144.42	361.48	2.55	-141.87
CN1N=CC(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)=C1C(F)(F)F	REAL300010935408	1	41	-2.0	-119.33	344.88	4.30	-115.03
O=C([O-])CN1CCCCC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C1=O	REAL300010935416	0	39	-2.0	-113.51	318.75	4.57	-108.94
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CCCCN(CC(=O)[O-])C1=O	REAL300010935418	1	41	-2.0	-133.55	334.19	2.68	-130.87
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C1CCCCN(CC(=O)[O-])C1=O	REAL300010935421	0	47	-2.0	-151.10	380.63	2.87	-148.23
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC=NS2)C1=O	REAL300010935430	1	34	-2.0	-116.12	297.27	3.37	-112.75
O=C([O-])CN1CCCCC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1=O	REAL300010935449	0	46	-2.0	-111.65	367.22	4.36	-107.29
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=C(Br)C=CO2)C1=O	REAL300010935455	0	35	-2.0	-123.95	315.25	4.22	-119.73
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1CCCCN(CC(=O)[O-])C1=O	REAL300010935463	1	42	-2.0	-134.87	361.99	5.57	-129.30
CC1=CSC(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300010935470	1	37	-2.0	-136.66	330.26	2.71	-133.95
CN1N=NN=C1S(=O)(=O)[N-]C1CCCCN(CC(=O)[O-])C1=O	REAL300010935474	1	36	-2.0	-106.27	296.96	1.49	-104.78
O=C([O-])CN1CCCCC(NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1=O	REAL300010935485	0	41	-2.0	-121.01	339.84	4.85	-116.16
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1=O	REAL300010935487	1	41	-2.0	-132.12	339.98	4.86	-127.26
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC=C(Br)O2)C1=O	REAL300010935514	0	35	-2.0	-120.73	315.50	4.35	-116.38
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1=O	REAL300010935535	1	38	-2.0	-119.42	334.99	4.86	-114.56
O=C([O-])CN1CCCCC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C1=O	REAL300010935551	0	39	-2.0	-113.51	318.75	4.57	-108.94
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC=C(Cl)O2)C1=O	REAL300010935555	1	35	-2.0	-120.27	310.86	4.24	-116.03
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1=O	REAL300010935558	1	38	-2.0	-115.59	338.08	6.26	-109.33
CCN1N=CC(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)=N1	REAL300010935581	1	40	-2.0	-123.66	332.00	2.49	-121.17
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2CCCCN(CC(=O)[O-])C2=O)=C1	REAL300010935591	1	44	-2.0	-97.89	382.94	1.72	-96.17
CCOC(=O)C1=CC(S(=O)(=O)NC2CCCCN(CC(=O)[O-])C2=O)=N[N-]1	REAL300010935591	1	44	-2.0	-97.89	383.09	1.72	-96.17
COC1=CC(F)=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)C(F)=C1	REAL300010935595	1	42	-2.0	-128.85	348.51	5.22	-123.63
N#CC1=C(S(=O)(=O)[N-]C2CCCCN(CC(=O)[O-])C2=O)OC=C1	REAL300010935601	1	36	-2.0	-124.12	312.95	4.10	-120.02
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CCCCN(CC(=O)[O-])C1=O	REAL300010935602	1	41	-2.0	-133.55	334.19	2.68	-130.87
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=NNN=C2)C1=O	REAL300010935625	1	34	-2.0	-116.71	286.98	0.55	-116.16
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=NC=CC=C2Cl)C1=O	REAL300010935626	1	37	-2.0	-130.17	318.83	4.40	-125.77
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1=O	REAL300010935655	1	40	-2.0	-133.57	336.41	4.91	-128.66
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=NC=CC=C2C(F)F)C1=O	REAL300010935683	1	40	-2.0	-126.73	333.81	4.82	-121.91
O=C([O-])CN1CCCCC([N-]S(=O)(=O)C2=CN=CS2)C1=O	REAL300010935685	1	34	-2.0	-120.83	297.12	2.78	-118.05
CC1=CC=C([O-])C(S(=O)(=O)NC2CCCCN(CC(=O)[O-])C2=O)=C1	REAL300010935696	1	42	-2.0	-119.24	333.76	5.14	-114.10
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010935717	1	30	-2.0	-102.52	273.72	3.36	-99.16
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010935743	1	27	-2.0	-99.89	278.48	3.33	-96.56
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010935748	1	30	-2.0	-101.02	295.98	5.00	-96.02
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010935752	0	30	-2.0	-100.24	288.14	3.91	-96.33
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010935754	1	30	-2.0	-99.91	288.13	3.90	-96.01
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010935755	1	30	-2.0	-99.15	273.83	3.36	-95.79
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010935764	0	30	-2.0	-105.30	270.56	3.52	-101.78
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010935812	1	34	-2.0	-109.76	293.30	3.61	-106.15
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])C(F)=C1Cl	REAL300010935826	0	37	-2.0	-113.70	333.74	2.97	-110.73
COC(=O)C1=CC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C(Br)O1	REAL300010935831	1	33	-2.0	-98.70	314.98	2.58	-96.12
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])O1	REAL300010935845	1	33	-2.0	-101.73	295.18	1.97	-99.76
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010935847	0	32	-2.0	-122.05	281.63	4.85	-117.20
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010935850	1	30	-2.0	-111.60	275.27	4.13	-107.47
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010935859	0	32	-2.0	-108.14	302.18	5.85	-102.29
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010935891	1	32	-2.0	-118.25	289.35	5.37	-112.88
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010935935	1	29	-2.0	-100.05	280.79	2.32	-97.73
CN1C=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])C(=O)N(C)C1=O	REAL300010935943	1	36	-2.0	-111.49	302.22	2.16	-109.33
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010935956	1	36	-2.0	-122.68	309.77	1.65	-121.03
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010935982	1	32	-2.0	-112.17	290.15	5.16	-107.01
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)CC1	REAL300010937577	1	41	-2.0	-104.92	359.12	1.51	-103.41
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010937631	0	42	-2.0	-100.78	356.78	4.79	-95.99
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=C[N-]2)CC1	REAL300010937753	0	35	-2.0	-103.86	295.53	1.24	-102.62
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010937808	0	39	-2.0	-101.98	324.37	3.83	-98.15
COCC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010937844	0	46	-2.0	-101.45	363.40	4.71	-96.74
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CC1	REAL300010937888	0	41	-2.0	-103.61	346.84	5.61	-98.00
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010937893	0	39	-2.0	-92.45	353.49	4.06	-88.39
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010937971	0	39	-2.0	-101.98	324.37	3.83	-98.15
O=C([O-])C12CC([N-]S(=O)(=O)C3=NC=CC=C3Br)(C1)C2	REAL300010939030	1	28	-2.0	-113.27	282.31	2.17	-111.10
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C1F	REAL300010939039	1	35	-2.0	-108.93	334.59	4.15	-104.78
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)O1	REAL300010939051	1	35	-2.0	-102.68	327.22	2.76	-99.92
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(Br)N=C3F)(C1)C2	REAL300010939062	1	28	-2.0	-103.10	291.75	2.09	-101.01
COC(=O)C1=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)OC=C1	REAL300010939066	0	32	-2.0	-115.76	303.17	2.77	-112.99
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=N1	REAL300010939070	0	31	-2.0	-119.60	296.88	2.40	-117.20
O=C([O-])C12CC([N-]S(=O)(=O)C3=CNN=C3C(F)(F)F)(C1)C2	REAL300010939078	1	29	-2.0	-104.41	285.46	0.94	-103.47
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Br)NC=N3)(C1)C2	REAL300010939097	1	26	-2.0	-112.29	270.25	1.31	-110.98
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Cl)=CN=C3Cl)(C1)C2	REAL300010939099	1	28	-2.0	-100.59	294.82	2.62	-97.97
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(Cl)N=C3F)(C1)C2	REAL300010939100	1	28	-2.0	-103.03	287.16	2.01	-101.02
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(F)N=C3F)(C1)C2	REAL300010939101	1	28	-2.0	-102.34	276.70	1.52	-100.82
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Br)C4=CC=CC=C4O3)(C1)C2	REAL300010939117	0	32	-2.0	-109.42	318.47	4.45	-104.97
CN1N=CC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C1C(F)(F)F	REAL300010939118	1	32	-2.0	-102.96	302.93	2.05	-100.91
O=C([O-])C12CC(NS(=O)(=O)C3=CC(F)=CC=C3[O-])(C1)C2	REAL300010939128	0	30	-2.0	-92.25	284.59	2.40	-89.85
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C12CC(C(=O)[O-])(C1)C2	REAL300010939130	1	32	-2.0	-122.67	302.07	0.96	-121.71
COC1=CC=C(Br)C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C1F	REAL300010939150	1	33	-2.0	-114.24	318.74	3.62	-110.62
O=C([O-])C1CCN(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300010939173	0	37	-2.0	-99.34	310.69	3.18	-96.16
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Br)C=CO3)(C1)C2	REAL300010939183	0	26	-2.0	-105.69	271.55	2.06	-103.63
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C12CC(C(=O)[O-])(C1)C2	REAL300010939195	1	33	-2.0	-110.44	306.21	4.05	-106.39
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C1	REAL300010939218	0	32	-2.0	-98.88	328.42	2.76	-96.12
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010939223	0	32	-2.0	-107.09	305.88	4.44	-102.65
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(F)C=CC4=C3OCO4)(C1)C2	REAL300010939226	1	32	-2.0	-115.35	299.24	2.60	-112.75
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Cl)=CC(Cl)=C3[O-])(C1)C2	REAL300010939229	0	30	-2.0	-89.46	310.89	3.42	-86.04
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(Br)O3)(C1)C2	REAL300010939260	1	26	-2.0	-101.88	274.16	2.10	-99.78
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(C(F)(F)F)O3)(C1)C2	REAL300010939286	1	29	-2.0	-100.52	293.64	2.63	-97.89
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C4=CC=CC=C4N=C3Cl)(C1)C2	REAL300010939303	1	34	-2.0	-109.09	332.55	4.90	-104.19
O=C([O-])C12CC(NS(=O)(=O)C3=CC(F)=CC=C3[O-])(C1)C2	REAL300010939307	0	30	-2.0	-92.25	284.59	2.40	-89.85
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(C4=CC=CC=C4)N=C(Cl)S3)(C1)C2	REAL300010939308	1	35	-2.0	-102.77	342.24	5.00	-97.77
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(F)C=C(Br)C=C3F)(C1)C2	REAL300010939314	0	29	-2.0	-106.46	299.60	4.29	-102.17
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(C(F)(F)F)N=C3F)(C1)C2	REAL300010939315	1	31	-2.0	-101.59	310.79	2.69	-98.90
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(C(F)(F)F)N=C3F)(C1)C2	REAL300010939318	1	31	-2.0	-101.59	310.79	2.69	-98.90
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C12CC(C(=O)[O-])(C1)C2	REAL300010939320	1	33	-2.0	-115.34	321.64	4.39	-110.95
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(F)C(Cl)=C3F)(C1)C2	REAL300010939323	1	29	-2.0	-102.67	297.30	4.02	-98.65
CC1=NC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C(C2=CC=CC=C2)O1	REAL300010939335	1	38	-2.0	-118.56	345.86	2.36	-116.20
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010939355	1	35	-2.0	-97.82	321.35	1.72	-96.10
CCOC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=N[N-]1	REAL300010939355	1	35	-2.0	-97.79	321.54	1.72	-96.07
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C1	REAL300010939357	0	32	-2.0	-98.36	324.35	2.66	-95.70
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C12CC(C(=O)[O-])(C1)C2	REAL300010939360	1	33	-2.0	-109.56	320.41	4.62	-104.94
COC1=CC(F)=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)C(F)=C1	REAL300010939362	1	33	-2.0	-111.29	307.77	2.97	-108.32
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Cl)=C(Cl)S3)(C1)C2	REAL300010939367	1	26	-2.0	-97.28	294.86	3.52	-93.76
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(I)C=CS3)(C1)C2	REAL300010939374	1	26	-2.0	-105.36	288.28	3.44	-101.92
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C12CC(C(=O)[O-])(C1)C2	REAL300010939377	1	32	-2.0	-122.67	302.07	0.96	-121.71
O=C([O-])C12CC([N-]S(=O)(=O)C3=NC=C(Br)C=N3)(C1)C2	REAL300010939407	0	27	-2.0	-106.70	283.12	1.09	-105.61
O=C([O-])C12CC([N-]S(=O)(=O)C3=NC=CC=C3Cl)(C1)C2	REAL300010939411	1	28	-2.0	-114.08	278.65	2.04	-112.04
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010939415	1	38	-2.0	-98.20	345.35	1.56	-96.64
O=C([O-])C12CC([N-]S(=O)(=O)C3=NC=CC(Br)=C3F)(C1)C2	REAL300010939419	0	28	-2.0	-111.62	291.63	2.13	-109.49
O=C([O-])C12CC([N-]S(=O)(=O)C3=NC=CC=C3C(F)(F)F)(C1)C2	REAL300010939443	1	31	-2.0	-115.77	295.05	2.69	-113.08
O=C([O-])C12CC([N-]S(=O)(=O)C3=NC=C(Cl)C=C3Br)(C1)C2	REAL300010939448	0	28	-2.0	-104.99	299.07	2.66	-102.33
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C12CC(C(=O)[O-])(C1)C2	REAL300010939460	1	35	-2.0	-108.06	337.57	5.50	-102.56
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C12CC(C(=O)[O-])(C1)C2	REAL300010939462	1	35	-2.0	-124.80	319.12	5.13	-119.67
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Br)C=NS3)(C1)C2	REAL300010939468	0	25	-2.0	-97.61	273.71	1.84	-95.77
O=C([O-])C12CC([N-]S(=O)(=O)C3=NC=CC=C3C(F)F)(C1)C2	REAL300010939472	1	31	-2.0	-110.43	295.25	2.44	-107.99
O=C([O-])C12CC(NS(=O)(=O)C3=C([O-])C=CC=C3OC(F)(F)F)(C1)C2	REAL300010939478	0	34	-2.0	-102.75	311.23	3.65	-99.10
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCCCC1	REAL300010939500	1	40	-2.0	-105.24	336.73	5.47	-99.77
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCCCC1	REAL300010939503	0	40	-2.0	-135.20	327.14	5.59	-129.61
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCCCC1	REAL300010939525	1	40	-2.0	-107.81	330.58	5.41	-102.40
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCCCC1	REAL300010939527	1	37	-2.0	-99.81	341.52	5.45	-94.36
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCCCC1	REAL300010939539	1	40	-2.0	-99.74	336.86	5.47	-94.27
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCCCC1	REAL300010939550	0	40	-2.0	-123.34	333.54	5.66	-117.68
CN1C=NC(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)=C1Cl	REAL300010939569	1	40	-2.0	-116.45	335.98	4.87	-111.58
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1	REAL300010939596	1	44	-2.0	-110.69	356.35	5.77	-104.92
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)O1	REAL300010939622	1	43	-2.0	-103.77	358.22	4.08	-99.69
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCCCC1	REAL300010939625	0	42	-2.0	-119.91	344.15	7.02	-112.89
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCCCC1	REAL300010939656	1	42	-2.0	-119.28	352.51	7.52	-111.76
CN1C=C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)C(=O)N(C)C1=O	REAL300010939696	1	46	-2.0	-110.51	365.25	4.30	-106.21
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1	REAL300010939710	1	46	-2.0	-123.03	372.82	3.79	-119.24
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCCCC1	REAL300010939737	1	42	-2.0	-112.66	353.93	7.40	-105.26
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCCC1	REAL300010939778	1	43	-2.0	-112.46	348.43	5.69	-106.77
COC(=O)C1=COC(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)=C1	REAL300010939792	1	43	-2.0	-106.85	358.56	4.03	-102.82
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)O1	REAL300010939826	1	46	-2.0	-104.09	380.08	5.01	-99.08
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(Br)C=CS2)CCCCC1	REAL300010939833	1	37	-2.0	-104.92	330.98	4.85	-100.07
CCN1C=C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)C([N+](=O)[O-])=N1	REAL300010939841	1	45	-2.0	-116.28	368.98	6.18	-110.10
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCCCC1	REAL300010939842	1	42	-2.0	-118.22	351.74	6.65	-111.57
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=CC(F)=C2F)CCCCC1	REAL300010939860	1	40	-2.0	-110.39	330.31	5.42	-104.97
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)C(F)=C1	REAL300010939877	0	41	-2.0	-122.08	347.93	5.99	-116.09
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCCCC1	REAL300010939890	1	41	-2.0	-118.41	333.52	6.08	-112.33
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCCCC1	REAL300010939941	1	39	-2.0	-105.00	337.48	4.74	-100.26
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCCCC1	REAL300010939942	1	39	-2.0	-97.46	344.11	4.47	-92.99
COC(=O)C1=C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)SC=N1	REAL300010939975	0	42	-2.0	-114.77	353.48	3.66	-111.11
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CCCCC1	REAL300010939984	1	37	-2.0	-103.43	323.05	4.01	-99.42
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCCCC1	REAL300010939993	1	40	-2.0	-112.85	334.56	6.10	-106.75
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCCCC1	REAL300010940044	1	40	-2.0	-101.91	353.85	6.41	-95.50
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCCCC1	REAL300010940057	0	40	-2.0	-105.06	339.75	5.70	-99.36
CC1=C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)C(N)=NO1	REAL300010940082	1	41	-2.0	-99.94	324.94	2.70	-97.24
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCCCC1	REAL300010940084	1	40	-2.0	-115.85	348.64	6.69	-109.16
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2(CC(=O)[O-])CCCCC2)S1	REAL300010940089	1	43	-2.0	-89.26	359.92	1.99	-87.27
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCCCC1	REAL300010940109	0	40	-2.0	-124.34	341.09	6.17	-118.17
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCCCC1	REAL300010940114	1	40	-2.0	-108.02	340.90	5.87	-102.15
N#CC1=CC=C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)O1	REAL300010940133	1	38	-2.0	-99.30	322.44	3.85	-95.45
O=C([O-])CC1(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCCCC1	REAL300010940143	0	44	-2.0	-88.18	355.35	5.24	-82.94
CN1C=C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)C(C(F)(F)F)=N1	REAL300010940169	1	43	-2.0	-116.34	356.36	4.14	-112.20
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(F)C=CS2)CCCCC1	REAL300010940170	1	37	-2.0	-108.10	316.95	4.34	-103.76
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCCC1	REAL300010940183	1	43	-2.0	-106.01	354.85	5.76	-100.25
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(Cl)C=CS2)CCCCC1	REAL300010940188	1	37	-2.0	-105.86	326.65	4.74	-101.12
O=C([O-])CC1(C[N-]S(=O)(=O)C2=NC=CC=C2Br)CCCCC1	REAL300010940238	1	39	-2.0	-113.54	331.20	4.07	-109.47
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)O1	REAL300010940251	1	46	-2.0	-104.83	376.11	4.66	-100.17
COC(=O)C1=C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)OC=C1	REAL300010940261	0	43	-2.0	-114.97	352.05	4.67	-110.30
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)=N1	REAL300010940263	0	42	-2.0	-137.36	345.84	4.30	-133.06
O=C([O-])CC1(CNS(=O)(=O)C2=NC=C[N-]2)CCCCC1	REAL300010940266	0	37	-2.0	-90.25	296.16	1.72	-88.53
CC1=NSC(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)=C1	REAL300010940269	1	39	-2.0	-102.18	327.17	3.58	-98.60
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCCCC1	REAL300010940271	1	40	-2.0	-107.38	334.58	2.79	-104.59
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(Br)NC=N2)CCCCC1	REAL300010940290	1	37	-2.0	-131.91	318.11	3.31	-128.60
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCCCC1	REAL300010940292	1	39	-2.0	-101.08	343.71	4.49	-96.59
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCCCC1	REAL300010940293	1	39	-2.0	-105.61	336.05	3.89	-101.72
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=C(F)N=C2F)CCCCC1	REAL300010940294	1	39	-2.0	-104.79	325.60	3.40	-101.39
CS(C)(=O)=NS(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1	REAL300010940297	1	40	-2.0	-148.80	324.00	1.25	-147.55
O=C([O-])CC1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CCCCC1	REAL300010940298	1	44	-2.0	-134.19	349.85	2.57	-131.62
CCS(=O)(CC)=NS(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1	REAL300010940303	1	46	-2.0	-151.00	363.04	2.91	-148.09
CN1N=CC(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)=C1C(F)(F)F	REAL300010940312	1	43	-2.0	-102.86	352.22	3.90	-98.96
O=C([O-])CC1(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CCCCC1	REAL300010940322	0	41	-2.0	-90.90	323.02	4.30	-86.60
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1	REAL300010940324	1	43	-2.0	-122.64	350.95	2.87	-119.77
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1	REAL300010940327	1	49	-2.0	-150.18	382.20	3.34	-146.84
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=NS2)CCCCC1	REAL300010940338	1	36	-2.0	-101.51	305.41	2.99	-98.52
O=C([O-])CC1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCCCC1	REAL300010940358	0	48	-2.0	-107.47	365.36	5.39	-102.08
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(Br)C=CO2)CCCCC1	REAL300010940366	0	37	-2.0	-105.93	320.43	3.96	-101.97
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1	REAL300010940376	1	44	-2.0	-129.63	355.21	5.97	-123.66
CC1=CSC(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)=N1	REAL300010940384	1	39	-2.0	-106.74	327.41	2.80	-103.94
CN1N=NN=C1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1	REAL300010940388	1	38	-2.0	-101.78	309.28	1.26	-100.52
O=C([O-])CC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CCCCC1	REAL300010940403	0	43	-2.0	-96.43	344.82	5.96	-90.47
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCCCC1	REAL300010940405	1	43	-2.0	-116.08	348.14	4.51	-111.57
O=C([O-])CC1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCCC1	REAL300010940408	0	41	-2.0	-87.11	349.55	5.30	-81.81
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CCCCC1	REAL300010940439	1	37	-2.0	-103.43	323.05	4.01	-99.42
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCCCC1	REAL300010940466	1	40	-2.0	-100.60	342.37	4.52	-96.08
O=C([O-])CC1(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CCCCC1	REAL300010940488	0	41	-2.0	-90.90	323.02	4.30	-86.60
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCCC1	REAL300010940493	1	42	-2.0	-104.25	359.68	4.56	-99.69
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=C(Cl)O2)CCCCC1	REAL300010940494	1	37	-2.0	-103.03	318.42	3.90	-99.13
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCCC1	REAL300010940496	1	42	-2.0	-104.25	359.68	4.56	-99.69
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCCCC1	REAL300010940499	1	40	-2.0	-104.50	346.19	5.90	-98.60
CC1=NC(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)=C(C2=CC=CC=C2)O1	REAL300010940511	1	49	-2.0	-121.68	394.58	4.27	-117.41
CCN1N=CC(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)=N1	REAL300010940525	1	42	-2.0	-124.51	339.46	2.17	-122.34
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300010940535	1	46	-2.0	-89.47	373.07	3.34	-86.13
CCOC(=O)C1=CC(S(=O)(=O)NCC2(CC(=O)[O-])CCCCC2)=N[N-]1	REAL300010940535	1	46	-2.0	-89.48	373.11	3.34	-86.14
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)=C1	REAL300010940537	0	43	-2.0	-100.31	373.23	4.56	-95.75
COC1=CC(F)=C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)C(F)=C1	REAL300010940540	1	44	-2.0	-130.20	356.62	4.89	-125.31
O=C([O-])CC1(C[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCCCC1	REAL300010940544	1	37	-2.0	-97.81	343.59	5.41	-92.40
N#CC1=C(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)OC=C1	REAL300010940550	1	38	-2.0	-106.17	322.83	3.72	-102.45
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1	REAL300010940551	1	43	-2.0	-122.64	350.95	2.87	-119.77
O=C([O-])CC1(C[N-]S(=O)(=O)C2=NC=C(Br)C=N2)CCCCC1	REAL300010940576	0	38	-2.0	-124.97	331.76	3.13	-121.84
O=C([O-])CC1(C[N-]S(=O)(=O)C2=NNN=C2)CCCCC1	REAL300010940579	1	36	-2.0	-102.61	294.34	0.21	-102.40
O=C([O-])CC1(C[N-]S(=O)(=O)C2=NC=CC=C2Cl)CCCCC1	REAL300010940580	1	39	-2.0	-114.24	327.54	3.95	-110.29
O=C([O-])CC1(C[N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CCCCC1	REAL300010940614	1	42	-2.0	-115.13	343.81	4.61	-110.52
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1	REAL300010940631	1	46	-2.0	-123.25	368.12	6.97	-116.28
O=C([O-])CC1(C[N-]S(=O)(=O)C2=C(Br)C=NS2)CCCCC1	REAL300010940636	0	36	-2.0	-97.91	322.61	3.71	-94.20
CC1=CC=C([O-])C(S(=O)(=O)NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300010940658	1	44	-2.0	-95.89	338.03	4.91	-90.98
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CC1	REAL300010940683	1	34	-2.0	-101.25	305.01	4.91	-96.34
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2F)CC1	REAL300010940688	0	34	-2.0	-116.75	295.46	5.00	-111.75
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC(F)=CC=C2F)CC1	REAL300010940714	1	34	-2.0	-108.69	297.51	4.82	-103.87
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CC1	REAL300010940716	1	31	-2.0	-99.97	306.50	4.78	-95.19
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CC1	REAL300010940722	1	34	-2.0	-101.27	327.28	6.54	-94.73
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CC1	REAL300010940728	0	34	-2.0	-101.77	319.43	5.45	-96.32
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CC1	REAL300010940730	1	34	-2.0	-101.84	318.12	5.42	-96.42
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CC1	REAL300010940731	1	34	-2.0	-100.70	305.15	4.91	-95.79
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CC1	REAL300010940743	0	34	-2.0	-106.63	300.53	5.04	-101.59
CN1C=NC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)=C1Cl	REAL300010940760	1	34	-2.0	-117.01	305.46	4.24	-112.77
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300010940798	1	38	-2.0	-112.32	323.30	5.16	-107.16
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)O1	REAL300010940834	1	37	-2.0	-106.30	325.18	3.48	-102.82
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC1	REAL300010940837	0	36	-2.0	-119.85	312.93	6.44	-113.41
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CC1	REAL300010940841	1	34	-2.0	-113.28	305.29	5.62	-107.66
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300010940848	0	36	-2.0	-110.05	333.66	7.14	-102.91
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CC1	REAL300010940877	1	36	-2.0	-114.74	320.62	6.96	-107.78
CN1C=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)C(=O)N(C)C1=O	REAL300010940930	1	40	-2.0	-118.77	333.53	3.71	-115.06
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300010940945	1	40	-2.0	-124.25	339.76	3.20	-121.05
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CC1	REAL300010940972	1	36	-2.0	-110.19	323.14	6.71	-103.48
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CC1	REAL300010941012	1	37	-2.0	-115.42	315.38	5.08	-110.34
COC(=O)C1=COC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300010941024	1	37	-2.0	-107.53	325.51	3.43	-104.10
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)O1	REAL300010941059	1	40	-2.0	-106.84	347.04	4.42	-102.42
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CC1	REAL300010941066	1	37	-2.0	-109.44	324.02	6.83	-102.61
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Br)C=CS2)CC1	REAL300010941068	1	31	-2.0	-106.24	297.93	4.27	-101.97
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CC1	REAL300010941074	1	33	-2.0	-102.06	311.32	3.87	-98.19
CCN1C=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300010941077	1	39	-2.0	-119.46	339.85	5.40	-114.06
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CC1	REAL300010941078	1	36	-2.0	-122.11	314.43	5.91	-116.20
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C(F)=C1	REAL300010941083	1	42	-2.0	-96.81	352.83	1.20	-95.61
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=CC(F)=C2F)CC1	REAL300010941103	1	34	-2.0	-115.46	297.40	4.82	-110.64
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)C(F)=C1	REAL300010941134	0	35	-2.0	-106.08	316.23	5.39	-100.69
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CC1	REAL300010941149	1	35	-2.0	-121.36	305.77	5.24	-116.12
O=C([O-])[C@H]1CC[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300010941180	0	39	-2.0	-98.58	347.93	3.84	-94.74
O=C([O-])[C@H]1CC[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300010941180	1	39	-2.0	-98.52	347.99	3.83	-94.69
CC1=C(Br)SC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300010941185	0	33	-2.0	-104.73	315.11	2.97	-101.76
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CC1	REAL300010941193	0	34	-2.0	-97.94	312.88	5.16	-92.78
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CC1	REAL300010941204	1	33	-2.0	-104.12	305.91	4.17	-99.95
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CC1	REAL300010941207	1	33	-2.0	-97.47	307.42	3.75	-93.72
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)SC=N1	REAL300010941240	0	36	-2.0	-113.88	322.67	3.02	-110.86
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010941250	1	31	-2.0	-105.78	290.02	3.41	-102.37
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CC1	REAL300010941261	1	34	-2.0	-111.68	301.72	5.49	-106.19
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CC1	REAL300010941315	1	34	-2.0	-102.43	318.13	5.70	-96.73
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CC1	REAL300010941330	0	34	-2.0	-107.01	308.03	5.12	-101.89
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CC1	REAL300010941345	1	36	-2.0	-95.15	335.41	6.16	-88.99
CC1=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)C(N)=NO1	REAL300010941364	1	35	-2.0	-100.22	293.18	2.06	-98.16
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CC1	REAL300010941367	0	36	-2.0	-100.60	335.51	5.92	-94.68
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CC1	REAL300010941369	1	36	-2.0	-96.49	331.76	5.80	-90.69
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CC1	REAL300010941370	1	34	-2.0	-100.25	316.95	6.11	-94.14
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300010941377	1	37	-2.0	-98.27	330.65	1.14	-97.13
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC1	REAL300010941401	0	34	-2.0	-106.73	307.97	5.56	-101.17
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CC1	REAL300010941407	1	34	-2.0	-108.35	309.16	5.31	-103.04
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CC1	REAL300010941410	1	36	-2.0	-108.31	334.49	6.57	-101.74
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300010941413	0	42	-2.0	-107.06	353.09	6.13	-100.93
CC1=NC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)=C(Br)N1C	REAL300010941437	1	37	-2.0	-119.98	327.33	4.08	-115.90
O=C([O-])[C@H]1CC[C@@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010941441	0	38	-2.0	-89.01	321.81	4.35	-84.66
CN1C=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300010941474	1	37	-2.0	-111.57	319.69	3.38	-108.19
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010941475	1	36	-2.0	-106.87	329.97	6.64	-100.23
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(F)C=CS2)CC1	REAL300010941477	1	31	-2.0	-109.49	285.22	3.79	-105.70
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300010941491	1	37	-2.0	-106.81	323.14	5.20	-101.61
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300010941492	1	37	-2.0	-112.05	336.91	6.75	-105.30
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CNN=C2Cl)CC1	REAL300010941497	1	31	-2.0	-102.61	285.25	1.53	-101.08
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=CS2)CC1	REAL300010941499	1	31	-2.0	-107.11	294.93	4.20	-102.91
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)=C1F	REAL300010941537	1	40	-2.0	-108.80	362.09	5.91	-102.89
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=NC=CC=C2Br)CC1	REAL300010941567	1	33	-2.0	-114.48	298.15	3.47	-111.01
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)=C1F	REAL300010941577	1	40	-2.0	-108.45	351.75	5.47	-102.98
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)O1	REAL300010941587	1	40	-2.0	-103.75	343.07	4.07	-99.68
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CC1	REAL300010941597	1	33	-2.0	-108.64	307.59	3.37	-105.27
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)OC=C1	REAL300010941601	0	37	-2.0	-117.79	321.90	3.69	-114.10
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300010941604	0	36	-2.0	-119.46	312.69	3.69	-115.77
CC1=NSC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300010941609	1	33	-2.0	-104.26	294.12	2.98	-101.28
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CC1	REAL300010941612	1	34	-2.0	-102.57	302.60	2.25	-100.32
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Br)NC=N2)CC1	REAL300010941632	1	31	-2.0	-110.44	284.97	2.69	-107.75
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CC1	REAL300010941634	1	33	-2.0	-102.10	306.73	3.77	-98.33
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CC1	REAL300010941635	1	33	-2.0	-102.20	304.32	3.33	-98.87
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=C(F)N=C2F)CC1	REAL300010941636	1	33	-2.0	-101.11	293.86	2.84	-98.27
CN1N=CC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)=C1C(F)(F)F	REAL300010941655	1	37	-2.0	-104.42	321.28	3.37	-101.05
O=C([O-])[C@H]1CC[C@@H](NS(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010941666	0	35	-2.0	-90.78	290.47	3.45	-87.33
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300010941668	1	37	-2.0	-122.29	317.96	2.40	-119.89
O=C([O-])C1CCN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300010941711	0	42	-2.0	-100.73	332.70	4.52	-96.21
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Br)C=CO2)CC1	REAL300010941721	0	31	-2.0	-107.56	289.72	3.28	-104.28
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300010941731	1	38	-2.0	-107.85	319.34	5.14	-102.71
CC1=CSC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300010941743	1	33	-2.0	-108.70	294.10	2.23	-106.47
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300010941761	0	37	-2.0	-97.41	325.08	5.44	-91.97
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CC1	REAL300010941763	1	37	-2.0	-116.60	316.41	3.94	-112.66
O=C([O-])[C@H]1CC[C@@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010941766	0	35	-2.0	-95.49	331.44	4.45	-91.04
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010941800	1	31	-2.0	-105.78	290.02	3.41	-102.37
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CC1	REAL300010941829	1	34	-2.0	-100.46	310.80	3.94	-96.52
O=C([O-])[C@H]1CC[C@@H](NS(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010941850	0	35	-2.0	-90.78	290.47	3.45	-87.33
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CC1	REAL300010941855	0	34	-2.0	-107.73	315.44	5.58	-102.15
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010941856	1	36	-2.0	-107.12	326.64	3.97	-103.15
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=C(Cl)O2)CC1	REAL300010941858	1	31	-2.0	-101.96	286.69	3.34	-98.62
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010941860	1	36	-2.0	-107.12	326.64	3.97	-103.15
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CC1	REAL300010941864	1	34	-2.0	-101.12	313.14	5.30	-95.82
CC1=NC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300010941877	1	43	-2.0	-121.79	362.99	3.71	-118.08
CCN1N=CC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)=N1	REAL300010941894	1	36	-2.0	-108.87	306.34	1.57	-107.30
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300010941903	1	40	-2.0	-92.51	348.99	2.52	-89.99
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=N[N-]1	REAL300010941903	1	40	-2.0	-92.53	349.10	2.52	-90.01
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300010941905	0	37	-2.0	-102.80	340.17	3.96	-98.84
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])CC2)C(F)=C1	REAL300010941909	1	38	-2.0	-111.95	323.60	4.26	-107.69
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CC1	REAL300010941914	1	31	-2.0	-98.04	310.69	4.78	-93.26
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300010941923	1	37	-2.0	-122.29	317.96	2.40	-119.89
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=NC=C(Br)C=N2)CC1	REAL300010941954	0	32	-2.0	-109.68	299.97	2.53	-107.15
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=NC=CC=C2Cl)CC1	REAL300010941957	1	33	-2.0	-112.09	293.31	3.45	-108.64
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)S1	REAL300010941962	1	43	-2.0	-93.77	367.22	2.55	-91.22
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CC1	REAL300010941966	0	33	-2.0	-111.68	307.50	3.45	-108.23
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CC1	REAL300010941992	1	36	-2.0	-114.14	304.83	3.97	-110.17
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)CC1	REAL300010941998	0	33	-2.0	-106.66	314.99	4.14	-102.52
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300010942013	1	40	-2.0	-108.72	356.73	6.64	-102.08
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])CC1	REAL300010942015	1	40	-2.0	-122.92	334.35	5.93	-116.99
O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=C(Br)C=NS2)CC1	REAL300010942021	0	30	-2.0	-99.83	293.07	2.96	-96.87
CC1=CC=C([O-])C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300010942036	1	38	-2.0	-112.03	317.90	4.03	-108.00
O=C([O-])[C@H]1CC[C@@H](NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010942037	0	39	-2.0	-101.58	337.81	4.83	-96.75
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CC1	REAL300010942059	1	37	-2.0	-95.79	332.67	5.20	-90.59
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(F)C=CC=C2F)CC1	REAL300010942062	0	37	-2.0	-106.70	323.10	5.31	-101.39
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC(F)=CC=C2F)CC1	REAL300010942087	1	37	-2.0	-99.73	327.79	5.18	-94.55
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CC1	REAL300010942089	1	34	-2.0	-92.90	338.79	5.21	-87.69
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CC1	REAL300010942102	1	37	-2.0	-91.94	332.79	5.21	-86.73
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CC1	REAL300010942114	0	37	-2.0	-98.10	330.82	5.40	-92.70
CN1C=NC(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)=C1Cl	REAL300010942132	1	37	-2.0	-107.42	333.38	4.62	-102.80
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300010942168	1	41	-2.0	-102.08	353.56	5.53	-96.55
COC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)O1	REAL300010942204	1	40	-2.0	-95.82	355.45	3.85	-91.97
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC1	REAL300010942207	0	39	-2.0	-117.34	339.05	7.04	-110.30
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CC1	REAL300010942211	1	37	-2.0	-102.87	334.23	5.97	-96.90
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CC1	REAL300010942245	1	39	-2.0	-109.17	345.99	7.30	-101.87
CN1C=C(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)C(=O)N(C)C1=O	REAL300010942293	1	43	-2.0	-104.91	363.17	3.90	-101.01
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300010942309	1	43	-2.0	-112.36	367.44	3.62	-108.74
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CC1	REAL300010942336	1	39	-2.0	-102.74	349.85	7.13	-95.61
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CC1	REAL300010942378	1	40	-2.0	-102.98	344.35	5.43	-97.55
COC(=O)C1=COC(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300010942390	1	40	-2.0	-99.99	355.79	3.79	-96.20
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)O1	REAL300010942425	1	43	-2.0	-95.60	375.99	4.74	-90.86
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CC1	REAL300010942432	1	40	-2.0	-102.44	354.32	7.21	-95.23
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(Br)C=CS2)CC1	REAL300010942434	1	34	-2.0	-98.03	328.21	4.63	-93.40
CCN1C=C(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300010942442	1	42	-2.0	-105.37	364.90	5.90	-99.47
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CC1	REAL300010942443	1	39	-2.0	-107.51	346.96	6.40	-101.11
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=CC(F)=C2F)CC1	REAL300010942465	1	37	-2.0	-102.70	327.67	5.17	-97.53
N#CC1=CC(F)=C(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(=O)[O-])CC2)C(F)=C1	REAL300010942490	0	38	-2.0	-97.49	345.20	5.73	-91.76
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CC1	REAL300010942505	1	38	-2.0	-107.31	329.51	5.76	-101.55
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300010942538	0	42	-2.0	-96.75	375.87	4.48	-92.27
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300010942538	1	42	-2.0	-96.76	375.93	4.48	-92.28
CC1=C(Br)SC(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300010942542	0	36	-2.0	-94.85	342.75	3.28	-91.57
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CC1	REAL300010942550	0	37	-2.0	-89.02	341.85	5.50	-83.52
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CC1	REAL300010942559	1	36	-2.0	-97.07	333.57	4.47	-92.60
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CC1	REAL300010942560	1	36	-2.0	-90.34	340.03	4.21	-86.13
COC(=O)C1=C(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)SC=N1	REAL300010942595	0	39	-2.0	-105.25	351.63	3.42	-101.83
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010942604	1	34	-2.0	-94.97	318.98	3.75	-91.22
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CC1	REAL300010942614	1	37	-2.0	-104.13	331.96	5.85	-98.28
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CC1	REAL300010942671	1	37	-2.0	-93.47	351.08	6.18	-87.29
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CC1	REAL300010942684	0	37	-2.0	-97.40	337.00	5.46	-91.94
CC1=C(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)C(N)=NO1	REAL300010942712	1	38	-2.0	-92.46	323.47	2.43	-90.03
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CC1	REAL300010942714	0	39	-2.0	-91.82	364.48	6.26	-85.56
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CC1	REAL300010942716	1	39	-2.0	-89.20	362.06	6.16	-83.04
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CC1	REAL300010942717	1	37	-2.0	-92.44	344.59	6.40	-86.04
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300010942723	1	40	-2.0	-92.81	359.38	1.79	-91.02
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC1	REAL300010942744	0	37	-2.0	-100.86	338.25	5.92	-94.94
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CC1	REAL300010942749	1	37	-2.0	-99.17	336.79	5.59	-93.58
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300010942755	0	45	-2.0	-99.20	384.00	6.56	-92.64
N#CC1=CC=C(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(=O)[O-])CC2)O1	REAL300010942772	1	35	-2.0	-93.26	319.84	3.59	-89.67
CC1=NC(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)=C(Br)N1C	REAL300010942779	1	40	-2.0	-109.10	357.68	4.43	-104.67
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010942783	0	41	-2.0	-88.34	355.25	5.05	-83.29
CN1C=C(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300010942811	1	40	-2.0	-100.20	353.19	3.86	-96.34
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010942812	1	39	-2.0	-94.74	358.26	7.23	-87.51
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(F)C=CS2)CC1	REAL300010942814	1	34	-2.0	-100.70	312.87	4.08	-96.62
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300010942828	1	40	-2.0	-97.25	350.76	5.49	-91.76
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300010942829	1	40	-2.0	-102.43	369.25	6.94	-95.49
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(Cl)C=CS2)CC1	REAL300010942835	1	34	-2.0	-98.40	322.57	4.48	-93.92
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=NC=CC=C2Br)CC1	REAL300010942897	1	36	-2.0	-103.34	325.85	3.94	-99.40
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)=C1F	REAL300010942905	1	43	-2.0	-101.30	379.41	5.76	-95.54
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)O1	REAL300010942915	1	43	-2.0	-96.52	373.34	4.42	-92.10
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CC1	REAL300010942922	1	36	-2.0	-96.39	336.58	3.69	-92.70
COC(=O)C1=C(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)OC=C1	REAL300010942926	0	40	-2.0	-108.02	350.85	4.05	-103.97
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300010942928	0	39	-2.0	-110.40	341.68	4.02	-106.38
CC1=NSC(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300010942933	1	36	-2.0	-94.38	324.40	3.34	-91.04
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CC1	REAL300010942936	1	37	-2.0	-97.29	330.23	2.55	-94.74
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(Br)NC=N2)CC1	REAL300010942956	1	34	-2.0	-103.69	313.93	3.02	-100.67
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CC1	REAL300010942958	1	36	-2.0	-93.37	340.94	4.27	-89.10
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CC1	REAL300010942959	1	36	-2.0	-96.23	331.98	3.61	-92.62
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=C(F)N=C2F)CC1	REAL300010942960	1	36	-2.0	-95.64	321.52	3.13	-92.51
CN1N=CC(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)=C1C(F)(F)F	REAL300010942980	1	40	-2.0	-95.26	347.75	3.67	-91.59
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010942990	0	38	-2.0	-89.58	322.67	4.11	-85.47
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300010942992	1	40	-2.0	-112.11	345.58	2.69	-109.42
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300010942995	1	46	-2.0	-122.83	378.15	3.05	-119.78
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=NS2)CC1	REAL300010943007	1	33	-2.0	-93.55	301.33	2.72	-90.83
O=C([O-])C1CCN(S(=O)(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])CC2)CC1	REAL300010943030	0	45	-2.0	-100.88	360.73	5.11	-95.77
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(Br)C=CO2)CC1	REAL300010943039	0	34	-2.0	-98.14	318.69	3.61	-94.53
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300010943049	1	41	-2.0	-101.90	355.88	5.73	-96.17
CC1=CSC(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300010943059	1	36	-2.0	-99.81	322.88	2.58	-97.23
CN1N=NN=C1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300010943063	1	35	-2.0	-91.17	305.29	1.10	-90.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])CC2)=C1	REAL300010943077	0	40	-2.0	-98.51	343.14	5.71	-92.80
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CC1	REAL300010943079	1	40	-2.0	-106.05	344.04	4.25	-101.80
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010943082	0	38	-2.0	-87.59	348.96	5.09	-82.50
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010943112	1	34	-2.0	-94.97	318.98	3.75	-91.22
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CC1	REAL300010943141	1	37	-2.0	-93.96	339.76	4.27	-89.69
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010943164	0	38	-2.0	-89.58	322.67	4.11	-85.47
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010943168	1	39	-2.0	-95.08	356.14	4.24	-90.84
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=C(Cl)O2)CC1	REAL300010943169	1	34	-2.0	-94.94	315.66	3.66	-91.28
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010943171	1	39	-2.0	-95.08	356.14	4.24	-90.84
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CC1	REAL300010943175	1	37	-2.0	-95.45	343.44	5.66	-89.79
CC1=NC(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300010943187	1	46	-2.0	-107.82	389.18	4.28	-103.54
CCN1N=CC(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300010943203	1	39	-2.0	-98.54	335.30	1.89	-96.65
CCOC(=O)C1=CC(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=N[N-]1	REAL300010943213	1	43	-2.0	-91.85	371.99	3.06	-88.79
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300010943215	0	40	-2.0	-92.68	370.48	4.33	-88.35
COC1=CC(F)=C(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)C(F)=C1	REAL300010943219	1	41	-2.0	-102.56	352.58	4.61	-97.95
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CC1	REAL300010943223	1	34	-2.0	-90.55	340.99	5.16	-85.39
N#CC1=C(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(=O)[O-])CC2)OC=C1	REAL300010943231	1	35	-2.0	-98.87	317.27	3.49	-95.38
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300010943232	1	40	-2.0	-112.11	345.58	2.69	-109.42
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=NC=C(Br)C=N2)CC1	REAL300010943261	0	35	-2.0	-99.92	328.92	2.88	-97.04
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=NC=CC=C2Cl)CC1	REAL300010943264	1	36	-2.0	-104.17	322.26	3.79	-100.38
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300010943269	1	46	-2.0	-93.99	394.97	3.08	-90.91
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CC1	REAL300010943272	0	36	-2.0	-103.44	336.79	3.90	-99.54
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CC1	REAL300010943300	1	39	-2.0	-105.08	337.59	4.62	-100.46
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300010943322	1	43	-2.0	-114.04	367.13	6.64	-107.40
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=C(Br)C=NS2)CC1	REAL300010943327	0	33	-2.0	-91.18	322.02	3.29	-87.89
CC1=CC=C([O-])C(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300010943347	1	41	-2.0	-94.52	335.11	4.67	-89.85
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010943348	0	42	-2.0	-95.13	364.84	5.35	-89.78
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)C(F)=C1	REAL300010943773	1	42	-2.0	-92.84	362.65	2.34	-90.50
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300010943870	0	39	-2.0	-90.30	349.23	4.73	-85.57
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300010943870	1	39	-2.0	-90.28	349.28	4.72	-85.56
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300010944067	1	37	-2.0	-94.60	333.24	2.01	-92.59
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010944131	0	38	-2.0	-88.20	330.85	5.28	-82.92
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010944356	0	35	-2.0	-89.45	298.53	4.35	-85.10
O=C([O-])CC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010944401	0	42	-2.0	-107.84	334.23	5.21	-102.63
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CC1	REAL300010944451	0	37	-2.0	-99.35	320.79	6.09	-93.26
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010944456	0	35	-2.0	-93.16	326.42	5.31	-87.85
O=C([O-])CC1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010944540	0	35	-2.0	-89.45	298.53	4.35	-85.10
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300010944593	1	40	-2.0	-93.95	348.40	3.31	-90.64
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)=N[N-]1	REAL300010944593	1	40	-2.0	-94.01	348.51	3.30	-90.71
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)S1	REAL300010944652	1	43	-2.0	-94.96	369.24	3.34	-91.62
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)=C1	REAL300010944726	1	38	-2.0	-95.43	313.54	4.94	-90.49
O=C([O-])CC1CCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010944727	0	39	-2.0	-94.02	339.53	5.60	-88.42
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])S1	REAL300010945338	1	33	-2.0	-101.03	336.35	1.96	-99.07
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010945392	0	34	-2.0	-100.30	334.53	5.25	-95.05
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=NC=C[N-]1	REAL300010945515	0	27	-2.0	-96.27	273.08	1.75	-94.52
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010945571	0	31	-2.0	-101.55	302.19	4.31	-97.24
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010945607	0	38	-2.0	-94.31	338.99	5.24	-89.07
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010945652	0	33	-2.0	-98.87	324.03	6.08	-92.79
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010945657	0	31	-2.0	-106.00	322.64	5.89	-100.11
O=C([O-])CN(CCC(F)(F)F)S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010945737	0	31	-2.0	-101.55	302.19	4.31	-97.24
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300010945784	1	36	-2.0	-105.61	348.64	3.39	-102.22
CCOC(=O)C1=CC(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=N[N-]1	REAL300010945784	1	36	-2.0	-105.64	348.78	3.38	-102.26
CC1=CC=C([O-])C(S(=O)(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300010945907	1	34	-2.0	-109.43	317.20	4.92	-104.51
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Br)C=C2Cl)CC1	REAL300010945922	1	25	-2.0	-120.25	280.45	5.11	-115.14
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CC1	REAL300010945947	1	22	-2.0	-120.95	258.40	3.40	-117.55
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CC1	REAL300010945951	1	25	-2.0	-120.16	275.88	5.00	-115.16
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CC1	REAL300010945953	0	25	-2.0	-121.60	268.03	3.96	-117.64
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CC1	REAL300010945955	1	25	-2.0	-120.76	268.04	3.96	-116.80
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010948001	0	26	-2.0	-124.12	269.03	1.64	-122.48
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010948019	1	29	-2.0	-124.07	268.16	2.29	-121.78
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010948023	0	26	-2.0	-112.95	276.17	2.20	-110.75
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010948036	1	33	-2.0	-117.89	315.83	4.82	-113.07
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010948038	1	33	-2.0	-135.29	297.37	4.42	-130.87
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010948043	0	23	-2.0	-107.05	252.06	1.21	-105.84
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010948047	0	32	-2.0	-107.37	298.57	2.88	-104.49
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300010948723	1	38	-2.0	-92.27	349.32	1.45	-90.82
O=C([O-])COC1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010948780	0	39	-2.0	-89.52	349.18	4.66	-84.86
O=C([O-])COC1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010948985	0	36	-2.0	-90.81	316.60	3.75	-87.06
O=C([O-])COC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010949023	0	43	-2.0	-99.00	355.15	4.81	-94.19
O=C([O-])COC1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CC1	REAL300010949069	0	38	-2.0	-99.23	338.51	5.57	-93.66
O=C([O-])COC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010949074	0	36	-2.0	-94.61	341.47	4.75	-89.86
O=C([O-])COC1CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300010949155	0	36	-2.0	-90.81	316.60	3.75	-87.06
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)=C1	REAL300010949204	1	41	-2.0	-99.99	365.00	2.73	-97.26
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)=N[N-]1	REAL300010949204	1	41	-2.0	-99.96	365.11	2.72	-97.24
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)S1	REAL300010949260	1	44	-2.0	-93.63	388.87	2.90	-90.73
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(OCC(=O)[O-])CC2)=C1	REAL300010949338	1	39	-2.0	-96.99	331.61	4.35	-92.64
O=C([O-])COC1CCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010949339	0	40	-2.0	-96.04	356.14	5.02	-91.02
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C1	REAL300010949364	1	34	-2.0	-103.15	308.21	4.59	-98.56
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C1	REAL300010949369	0	34	-2.0	-115.43	299.18	4.70	-110.73
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C1	REAL300010949395	1	34	-2.0	-106.65	302.03	4.53	-102.12
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C1	REAL300010949397	1	31	-2.0	-98.88	313.02	4.56	-94.32
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300010949403	1	34	-2.0	-100.92	331.04	6.25	-94.67
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300010949409	0	34	-2.0	-99.77	322.62	5.13	-94.64
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300010949411	1	34	-2.0	-99.64	322.62	5.13	-94.51
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300010949412	1	34	-2.0	-98.81	308.32	4.59	-94.22
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300010949424	0	34	-2.0	-105.28	305.61	4.77	-100.51
CN1C=NC(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300010949441	1	34	-2.0	-115.31	308.15	3.99	-111.32
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300010949479	1	38	-2.0	-109.08	327.81	4.84	-104.24
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)O1	REAL300010949515	1	37	-2.0	-102.03	329.69	3.20	-98.83
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300010949518	0	36	-2.0	-120.73	313.09	6.05	-114.68
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300010949522	1	34	-2.0	-110.36	309.78	5.34	-105.02
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010949529	0	36	-2.0	-106.04	340.58	7.09	-98.95
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300010949558	1	36	-2.0	-116.95	320.48	6.59	-110.36
CN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)C(=O)N(C)C1=O	REAL300010949611	1	40	-2.0	-110.62	336.72	3.39	-107.23
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300010949626	1	40	-2.0	-119.96	343.05	2.95	-117.01
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C1	REAL300010949653	1	36	-2.0	-111.68	327.95	6.53	-105.15
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300010949693	1	37	-2.0	-110.53	319.92	4.80	-105.73
COC(=O)C1=COC(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010949705	1	37	-2.0	-105.96	330.04	3.16	-102.80
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)O1	REAL300010949740	1	40	-2.0	-102.31	351.55	4.13	-98.18
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300010949747	1	37	-2.0	-109.94	328.60	6.53	-103.41
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300010949749	1	31	-2.0	-105.00	299.18	4.19	-100.81
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300010949755	1	33	-2.0	-100.26	320.29	3.74	-96.52
CCN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300010949758	1	39	-2.0	-114.29	340.99	5.31	-108.98
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300010949759	1	36	-2.0	-116.38	323.56	5.79	-110.59
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010949764	1	42	-2.0	-92.27	370.40	1.40	-90.87
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C1	REAL300010949784	1	34	-2.0	-110.57	301.93	4.53	-106.04
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010949815	0	35	-2.0	-104.65	319.96	5.10	-99.55
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C1	REAL300010949830	1	35	-2.0	-116.61	306.47	5.16	-111.45
O=C([O-])[C@@H]1CCC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010949861	0	39	-2.0	-98.63	353.51	3.62	-95.01
O=C([O-])[C@@H]1CCC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010949861	1	39	-2.0	-98.59	353.57	3.61	-94.98
CC1=C(Br)SC(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300010949866	0	33	-2.0	-102.07	318.50	2.63	-99.44
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C1	REAL300010949874	0	34	-2.0	-96.00	317.92	4.90	-91.10
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300010949885	1	33	-2.0	-104.33	309.15	3.86	-100.47
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300010949888	1	33	-2.0	-97.43	316.11	3.61	-93.82
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)SC=N1	REAL300010949921	0	36	-2.0	-111.74	327.72	2.79	-108.95
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010949931	1	31	-2.0	-101.75	294.54	3.13	-98.62
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010949942	1	34	-2.0	-111.13	306.20	5.20	-105.93
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010949996	1	34	-2.0	-100.23	325.32	5.53	-94.70
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300010950011	0	34	-2.0	-104.60	311.75	4.83	-99.77
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010950026	1	36	-2.0	-95.47	343.95	6.02	-89.45
CC1=C(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)C(N)=NO1	REAL300010950045	1	35	-2.0	-97.93	296.58	1.82	-96.11
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010950048	0	36	-2.0	-98.54	340.04	5.64	-92.90
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010950050	1	36	-2.0	-95.20	336.28	5.51	-89.69
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010950051	1	34	-2.0	-99.92	320.71	5.82	-94.10
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010950058	1	37	-2.0	-98.03	338.50	1.02	-97.01
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010950082	0	34	-2.0	-108.83	313.05	5.28	-103.55
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010950088	1	34	-2.0	-106.76	312.35	4.98	-101.78
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010950091	1	36	-2.0	-103.40	338.24	6.28	-97.12
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300010950094	0	42	-2.0	-105.79	358.47	5.88	-99.91
CC1=NC(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)=C(Br)N1C	REAL300010950118	1	37	-2.0	-115.80	330.77	3.85	-111.95
O=C([O-])[C@@H]1CCC[C@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010950122	0	38	-2.0	-97.70	341.72	4.15	-93.55
CN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010950155	1	37	-2.0	-107.54	328.75	3.25	-104.29
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010950156	1	36	-2.0	-103.50	334.34	6.59	-96.91
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(F)C=CS2)C1	REAL300010950158	1	31	-2.0	-109.37	287.30	3.55	-105.82
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010950172	1	37	-2.0	-105.15	326.86	4.90	-100.25
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010950173	1	37	-2.0	-110.42	343.19	6.42	-104.00
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CNN=C2Cl)C1	REAL300010950178	1	31	-2.0	-104.08	288.92	1.23	-102.85
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CS2)C1	REAL300010950180	1	31	-2.0	-106.06	295.41	4.06	-102.00
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1F	REAL300010950218	1	40	-2.0	-109.73	365.30	5.58	-104.15
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010950248	1	33	-2.0	-112.47	302.67	3.19	-109.28
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1F	REAL300010950258	1	40	-2.0	-109.15	354.99	5.14	-104.01
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)O1	REAL300010950268	1	40	-2.0	-103.62	348.13	3.80	-99.82
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010950278	1	33	-2.0	-103.68	312.13	3.08	-100.60
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)OC=C1	REAL300010950282	0	37	-2.0	-115.00	326.41	3.42	-111.58
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300010950285	0	36	-2.0	-118.48	317.78	3.38	-115.10
CC1=NSC(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010950290	1	33	-2.0	-101.23	299.17	2.72	-98.51
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010950293	1	34	-2.0	-104.47	305.82	1.93	-102.54
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010950313	1	31	-2.0	-112.00	290.64	2.34	-109.66
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010950315	1	33	-2.0	-100.29	315.72	3.63	-96.66
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010950316	1	33	-2.0	-103.46	307.54	3.01	-100.45
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C1	REAL300010950317	1	33	-2.0	-102.72	297.08	2.52	-100.20
CN1N=CC(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300010950336	1	37	-2.0	-103.05	325.02	3.07	-99.98
O=C([O-])[C@@H]1CCC[C@H](NS(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010950347	0	35	-2.0	-91.66	307.23	3.19	-88.47
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300010950349	1	37	-2.0	-121.09	322.44	1.94	-119.15
O=C([O-])C1CCN(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010950392	0	42	-2.0	-115.92	341.24	4.26	-111.66
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010950402	0	31	-2.0	-105.23	294.25	3.00	-102.23
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300010950412	1	38	-2.0	-109.11	330.64	5.10	-104.01
CC1=CSC(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300010950424	1	33	-2.0	-105.91	298.44	1.98	-103.93
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010950442	0	37	-2.0	-99.14	330.72	5.23	-93.91
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010950444	1	37	-2.0	-113.80	319.58	3.59	-110.21
O=C([O-])[C@@H]1CCC[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010950447	0	35	-2.0	-89.73	334.09	4.19	-85.54
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010950481	1	31	-2.0	-101.75	294.54	3.13	-98.62
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010950510	1	34	-2.0	-100.96	314.53	3.64	-97.32
O=C([O-])[C@@H]1CCC[C@H](NS(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010950531	0	35	-2.0	-91.66	307.23	3.19	-88.47
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300010950536	0	34	-2.0	-106.23	320.50	5.32	-100.91
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010950537	1	36	-2.0	-102.07	330.35	3.59	-98.48
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=C(Cl)O2)C1	REAL300010950539	1	31	-2.0	-101.36	289.90	3.01	-98.35
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010950541	1	36	-2.0	-102.07	330.35	3.59	-98.48
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010950545	1	34	-2.0	-102.58	317.66	5.01	-97.57
CC1=NC(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010950558	1	43	-2.0	-116.09	364.99	3.60	-112.49
CCN1N=CC(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300010950575	1	36	-2.0	-106.32	311.38	1.29	-105.03
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010950584	1	40	-2.0	-98.00	353.80	2.30	-95.70
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=N[N-]1	REAL300010950584	1	40	-2.0	-97.98	353.90	2.30	-95.68
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010950586	0	37	-2.0	-98.71	344.71	3.68	-95.03
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010950590	1	38	-2.0	-110.85	328.66	4.00	-106.85
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010950595	1	31	-2.0	-97.01	315.77	4.53	-92.48
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300010950604	1	37	-2.0	-121.09	322.44	1.94	-119.15
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010950635	0	32	-2.0	-106.96	303.69	2.23	-104.73
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=NC=CC=C2Cl)C1	REAL300010950638	1	33	-2.0	-113.15	299.01	3.06	-110.09
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010950643	1	43	-2.0	-98.27	374.94	2.30	-95.97
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010950647	0	33	-2.0	-110.34	311.04	3.26	-107.08
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010950673	1	36	-2.0	-113.46	313.69	4.01	-109.45
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010950679	0	33	-2.0	-102.80	318.17	3.82	-98.98
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300010950694	1	40	-2.0	-106.73	357.90	6.52	-100.21
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(=O)[O-])C1	REAL300010950696	1	40	-2.0	-122.30	342.68	5.97	-116.33
O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010950702	0	30	-2.0	-97.57	294.60	2.85	-94.72
CC1=CC=C([O-])C(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010950717	1	38	-2.0	-106.66	324.42	3.81	-102.85
O=C([O-])[C@@H]1CCC[C@H](NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010950718	0	39	-2.0	-97.55	342.03	4.56	-92.99
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C1	REAL300010950743	1	34	-2.0	-103.75	308.73	4.61	-99.14
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(F)C=CC=C2F)C1	REAL300010950748	0	34	-2.0	-112.77	294.92	4.97	-107.80
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC(F)=CC=C2F)C1	REAL300010950774	1	34	-2.0	-106.94	302.06	4.54	-102.40
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C1	REAL300010950776	1	31	-2.0	-99.56	313.51	4.58	-94.98
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300010950782	1	34	-2.0	-98.90	326.74	6.51	-92.39
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300010950788	0	34	-2.0	-100.53	323.15	5.15	-95.38
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300010950790	1	34	-2.0	-100.28	323.15	5.15	-95.13
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300010950791	1	34	-2.0	-99.44	308.85	4.61	-94.83
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300010950803	0	34	-2.0	-103.13	301.32	5.04	-98.09
CN1C=NC(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)=C1Cl	REAL300010950820	1	34	-2.0	-113.98	307.61	3.98	-110.00
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1CCCC(C(=O)[O-])C1	REAL300010950858	1	38	-2.0	-107.23	324.09	5.13	-102.10
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)O1	REAL300010950894	1	37	-2.0	-102.07	329.69	3.20	-98.87
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300010950897	0	36	-2.0	-118.75	309.12	6.38	-112.37
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300010950901	1	34	-2.0	-111.07	310.31	5.36	-105.71
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010950908	0	36	-2.0	-106.03	333.22	7.44	-98.59
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300010950937	1	36	-2.0	-115.56	316.49	6.93	-108.63
CN1C=C(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)C(=O)N(C)C1=O	REAL300010950990	1	40	-2.0	-109.88	333.00	3.68	-106.20
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CCCC(C(=O)[O-])C1	REAL300010951005	1	40	-2.0	-120.61	343.06	2.99	-117.62
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])C1	REAL300010951032	1	36	-2.0	-109.63	321.69	6.78	-102.85
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300010951072	1	37	-2.0	-110.52	319.92	4.80	-105.72
COC(=O)C1=COC(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)=C1	REAL300010951084	1	37	-2.0	-105.52	326.84	3.46	-102.06
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)O1	REAL300010951119	1	40	-2.0	-102.32	351.55	4.12	-98.20
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)C1	REAL300010951126	1	37	-2.0	-107.85	324.82	6.85	-101.00
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Br)C=CS2)C1	REAL300010951128	1	31	-2.0	-102.57	298.73	4.28	-98.29
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)C1	REAL300010951134	1	33	-2.0	-99.26	312.64	3.90	-95.36
CCN1C=C(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300010951137	1	39	-2.0	-114.31	340.99	5.31	-109.00
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])C1	REAL300010951138	1	36	-2.0	-115.23	323.57	5.78	-109.45
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300010951143	1	42	-2.0	-94.67	367.73	1.70	-92.97
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=CC(F)=C2F)C1	REAL300010951163	1	34	-2.0	-108.54	298.21	4.83	-103.71
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300010951194	0	35	-2.0	-102.47	315.72	5.37	-97.10
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C1	REAL300010951209	1	35	-2.0	-114.27	306.62	5.29	-108.98
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300010951240	0	39	-2.0	-95.07	347.24	3.80	-91.27
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300010951240	1	39	-2.0	-95.06	347.31	3.79	-91.27
CC1=C(Br)SC(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)=N1	REAL300010951245	0	33	-2.0	-101.95	318.51	2.64	-99.31
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C1	REAL300010951253	0	34	-2.0	-94.48	313.66	5.18	-89.30
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)C1	REAL300010951264	1	33	-2.0	-102.87	305.40	4.15	-98.72
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)C1	REAL300010951267	1	33	-2.0	-95.99	308.72	3.77	-92.22
COC(=O)C1=C(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)SC=N1	REAL300010951300	0	36	-2.0	-108.17	321.58	2.97	-105.20
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010951310	1	31	-2.0	-101.76	294.53	3.13	-98.63
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010951321	1	34	-2.0	-111.82	306.72	5.22	-106.60
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010951375	1	34	-2.0	-100.95	325.85	5.55	-95.40
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300010951390	0	34	-2.0	-102.62	307.49	5.11	-97.51
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010951405	1	36	-2.0	-95.45	343.94	6.02	-89.43
CC1=C(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)C(N)=NO1	REAL300010951424	1	35	-2.0	-97.77	294.59	2.07	-95.70
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010951427	0	36	-2.0	-97.16	336.31	5.94	-91.22
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010951429	1	36	-2.0	-95.89	336.81	5.54	-90.35
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010951430	1	34	-2.0	-98.01	316.41	6.09	-91.92
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)S1	REAL300010951437	1	37	-2.0	-90.61	330.65	1.14	-89.47
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010951461	0	34	-2.0	-106.37	308.76	5.57	-100.80
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010951467	1	34	-2.0	-106.93	312.38	4.99	-101.94
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010951470	1	36	-2.0	-102.15	334.51	6.57	-95.58
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1CCCC(C(=O)[O-])C1	REAL300010951473	0	42	-2.0	-103.89	354.03	6.15	-97.74
CC1=NC(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)=C(Br)N1C	REAL300010951497	1	37	-2.0	-114.85	331.63	3.89	-110.96
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010951501	0	38	-2.0	-91.44	334.70	4.35	-87.09
CN1C=C(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010951534	1	37	-2.0	-108.17	329.31	3.28	-104.89
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010951535	1	36	-2.0	-101.66	329.77	6.79	-94.87
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(F)C=CS2)C1	REAL300010951537	1	31	-2.0	-105.39	284.70	3.76	-101.63
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010951551	1	37	-2.0	-103.88	323.13	5.18	-98.70
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010951552	1	37	-2.0	-110.24	341.45	6.48	-103.76
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CNN=C2Cl)C1	REAL300010951557	1	31	-2.0	-102.13	284.65	1.51	-100.62
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Cl)C=CS2)C1	REAL300010951559	1	31	-2.0	-103.37	294.40	4.17	-99.20
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)=C1F	REAL300010951597	1	40	-2.0	-108.26	361.55	5.89	-102.37
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010951627	1	33	-2.0	-111.27	301.43	3.32	-107.95
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)=C1F	REAL300010951637	1	40	-2.0	-107.62	351.23	5.45	-102.17
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)O1	REAL300010951647	1	40	-2.0	-102.64	344.38	4.09	-98.55
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010951657	1	33	-2.0	-103.29	312.10	3.09	-100.20
COC(=O)C1=C(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)OC=C1	REAL300010951661	0	37	-2.0	-113.34	322.29	3.83	-109.51
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)=N1	REAL300010951664	0	36	-2.0	-115.70	311.90	3.57	-112.13
CC1=NSC(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)=C1	REAL300010951669	1	33	-2.0	-101.20	299.16	2.72	-98.48
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010951672	1	34	-2.0	-103.11	297.52	2.08	-101.03
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010951692	1	31	-2.0	-111.36	289.50	2.40	-108.96
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010951694	1	33	-2.0	-99.29	308.05	3.79	-95.50
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010951695	1	33	-2.0	-103.07	307.51	3.02	-100.05
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C1	REAL300010951696	1	33	-2.0	-102.32	297.06	2.53	-99.79
CN1N=CC(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)=C1C(F)(F)F	REAL300010951715	1	37	-2.0	-102.87	323.82	3.06	-99.81
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010951726	0	35	-2.0	-100.92	304.52	3.45	-97.47
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CCCC(C(=O)[O-])C1	REAL300010951728	1	37	-2.0	-120.26	321.20	2.07	-118.19
O=C([O-])C1CCN(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)CC1	REAL300010951771	0	42	-2.0	-110.02	338.11	4.55	-105.47
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010951781	0	31	-2.0	-104.79	290.82	3.13	-101.66
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1CCCC(C(=O)[O-])C1	REAL300010951791	1	38	-2.0	-106.68	326.41	5.38	-101.30
CC1=CSC(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)=N1	REAL300010951803	1	33	-2.0	-107.66	298.64	1.95	-105.71
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300010951821	0	37	-2.0	-96.83	325.83	5.47	-91.36
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010951823	1	37	-2.0	-114.47	319.59	3.63	-110.84
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010951826	0	35	-2.0	-88.15	316.81	4.43	-83.72
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010951860	1	31	-2.0	-101.76	294.53	3.13	-98.63
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010951889	1	34	-2.0	-99.63	310.80	3.94	-95.69
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010951910	0	35	-2.0	-100.92	304.52	3.45	-97.47
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300010951915	0	34	-2.0	-104.17	316.21	5.60	-98.57
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010951916	1	36	-2.0	-101.39	327.43	3.98	-97.41
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=C(Cl)O2)C1	REAL300010951918	1	31	-2.0	-101.34	289.90	3.01	-98.33
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010951920	1	36	-2.0	-101.39	327.43	3.98	-97.41
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010951924	1	34	-2.0	-103.19	318.19	5.04	-98.15
CC1=NC(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010951937	1	43	-2.0	-115.38	364.52	3.58	-111.80
CCN1N=CC(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)=N1	REAL300010951954	1	36	-2.0	-105.61	310.86	1.27	-104.34
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=C1	REAL300010951963	1	40	-2.0	-97.07	347.98	2.48	-94.59
CCOC(=O)C1=CC(S(=O)(=O)NC2CCCC(C(=O)[O-])C2)=N[N-]1	REAL300010951963	1	40	-2.0	-96.98	348.14	2.49	-94.49
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)=C1	REAL300010951965	0	37	-2.0	-98.68	344.72	3.68	-95.00
COC1=CC(F)=C(S(=O)(=O)[N-]C2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300010951969	1	38	-2.0	-108.81	324.41	4.28	-104.53
O=C([O-])C1CCCC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010951974	1	31	-2.0	-95.94	312.02	4.81	-91.13
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CCCC(C(=O)[O-])C1	REAL300010951983	1	37	-2.0	-120.26	321.20	2.07	-118.19
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300010954029	1	34	-2.0	-111.02	304.57	1.00	-110.02
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010954391	0	34	-2.0	-118.38	298.47	5.32	-113.06
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010954506	1	37	-2.0	-106.67	326.05	3.14	-103.53
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=N[N-]1	REAL300010954506	1	37	-2.0	-106.71	326.15	3.14	-103.57
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300010954547	1	40	-2.0	-106.11	349.12	3.24	-102.87
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCC1	REAL300010954598	1	28	-2.0	-121.40	267.75	4.03	-117.37
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCC1	REAL300010954624	1	25	-2.0	-121.84	272.55	4.00	-117.84
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CCC1	REAL300010954629	1	28	-2.0	-120.65	290.23	5.61	-115.04
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CCC1	REAL300010954633	0	28	-2.0	-122.24	282.17	4.57	-117.67
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CCC1	REAL300010954635	1	28	-2.0	-121.55	282.17	4.57	-116.98
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCC1	REAL300010954636	1	28	-2.0	-120.92	267.87	4.02	-116.90
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCC1	REAL300010954645	0	28	-2.0	-128.50	264.81	4.16	-124.34
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010954690	1	32	-2.0	-132.68	288.89	4.09	-128.59
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)C(F)=C1Cl	REAL300010954703	0	35	-2.0	-135.02	329.27	3.50	-131.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C(Br)O1	REAL300010954708	1	31	-2.0	-120.83	309.02	3.26	-117.57
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)O1	REAL300010954722	1	31	-2.0	-121.67	289.22	2.65	-119.02
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCC1	REAL300010954724	0	30	-2.0	-148.72	276.89	5.09	-143.63
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCC1	REAL300010954727	1	28	-2.0	-131.54	269.46	4.73	-126.81
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CCC1	REAL300010954736	0	30	-2.0	-123.43	296.53	6.02	-117.41
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCC1	REAL300010954766	1	30	-2.0	-133.26	280.43	5.20	-128.06
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2Cl)CCC1	REAL300010954810	1	27	-2.0	-119.59	274.97	2.97	-116.62
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)C(=O)N(C)C1=O	REAL300010954818	1	34	-2.0	-136.10	297.32	2.56	-133.54
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010954830	1	34	-2.0	-145.12	302.55	2.44	-142.68
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCC1	REAL300010954857	1	30	-2.0	-132.35	286.68	5.90	-126.45
COC(=O)C1=COC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C1	REAL300010954890	1	31	-2.0	-127.64	289.56	2.59	-125.05
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)O1	REAL300010954921	1	34	-2.0	-121.88	311.08	3.58	-118.30
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CCC1	REAL300010954927	1	31	-2.0	-128.52	288.53	5.84	-122.68
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])CCC1	REAL300010954928	1	30	-2.0	-128.38	288.11	5.93	-122.45
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=CS2)CCC1	REAL300010954931	1	25	-2.0	-127.61	259.43	3.51	-124.10
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CCC1	REAL300010954937	1	27	-2.0	-120.28	279.29	3.16	-117.12
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)C([N+](=O)[O-])=N1	REAL300010954941	1	33	-2.0	-129.84	300.00	4.73	-125.11
O=C([O-])C1([N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCC1	REAL300010954942	1	30	-2.0	-134.17	283.07	5.23	-128.94
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])CCC1	REAL300010954945	1	30	-2.0	-132.29	291.23	6.00	-126.29
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(F)=C1	REAL300010954948	1	36	-2.0	-114.54	312.57	0.25	-114.29
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)CCC1	REAL300010954966	1	25	-2.0	-121.89	277.18	4.10	-117.79
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)C(F)=C1	REAL300010954998	0	29	-2.0	-127.39	279.19	4.49	-122.90
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCCOC1	REAL300010956025	1	37	-2.0	-133.20	329.19	4.98	-128.22
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)C(=O)N(C)C1=O	REAL300010956073	1	41	-2.0	-136.88	348.36	2.15	-134.73
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCOC1	REAL300010956089	1	41	-2.0	-140.94	354.63	1.73	-139.21
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCCOC1	REAL300010956116	1	37	-2.0	-126.84	337.34	4.75	-122.09
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCCOC1	REAL300010956156	1	38	-2.0	-130.86	328.88	3.14	-127.72
COC(=O)C1=COC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=C1	REAL300010956167	1	38	-2.0	-126.49	341.67	1.88	-124.61
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)O1	REAL300010956202	1	41	-2.0	-119.59	363.19	2.86	-116.73
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=CS2)CCCOC1	REAL300010956209	1	32	-2.0	-122.96	314.09	2.71	-120.25
CCN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)C([N+](=O)[O-])=N1	REAL300010956217	1	40	-2.0	-128.74	352.10	4.02	-124.72
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCCOC1	REAL300010956218	1	37	-2.0	-131.40	334.35	4.51	-126.89
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CC(F)=C2F)CCCOC1	REAL300010956240	1	35	-2.0	-128.08	313.56	3.26	-124.82
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)C(F)=C1	REAL300010956264	0	36	-2.0	-121.55	328.39	3.40	-118.15
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCCOC1	REAL300010956279	1	36	-2.0	-131.37	317.22	3.90	-127.47
CC1=C(Br)SC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=N1	REAL300010956315	0	34	-2.0	-123.76	330.13	1.35	-122.41
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCCOC1	REAL300010956323	0	35	-2.0	-114.02	329.02	3.61	-110.41
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCCOC1	REAL300010956332	1	34	-2.0	-122.42	320.75	2.58	-119.84
O=C([O-])C1(C[N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCCOC1	REAL300010956333	1	34	-2.0	-115.06	327.23	2.32	-112.74
COC(=O)C1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)SC=N1	REAL300010956368	0	37	-2.0	-127.90	333.90	1.08	-126.82
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CCCOC1	REAL300010956377	1	32	-2.0	-119.46	306.17	1.86	-117.60
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCCOC1	REAL300010956387	1	35	-2.0	-130.92	317.84	3.94	-126.98
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCCOC1	REAL300010956444	1	35	-2.0	-117.07	336.96	4.26	-112.81
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCCOC1	REAL300010956457	0	35	-2.0	-121.84	320.19	3.16	-118.68
CC1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)C(N)=NO1	REAL300010956485	1	36	-2.0	-115.88	309.32	0.52	-115.36
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCCOC1	REAL300010956486	0	37	-2.0	-117.39	351.68	4.37	-113.02
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCCOC1	REAL300010956488	1	37	-2.0	-112.56	347.92	4.24	-108.32
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCCOC1	REAL300010956489	1	35	-2.0	-115.07	329.11	4.11	-110.96
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300010956495	1	38	-2.0	-97.10	340.96	-0.57	-97.67
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCCOC1	REAL300010956517	0	35	-2.0	-127.74	321.45	3.60	-124.14
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCCOC1	REAL300010956522	1	35	-2.0	-126.36	324.02	3.71	-122.65
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1(C(=O)[O-])CCCOC1	REAL300010956528	0	43	-2.0	-121.79	367.35	4.25	-117.54
N#CC1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)O1	REAL300010956542	1	33	-2.0	-115.46	305.71	1.68	-113.78
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=C(Br)N1C	REAL300010956548	1	38	-2.0	-138.23	342.39	2.59	-135.64
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCCOC1	REAL300010956552	0	39	-2.0	-97.81	336.58	2.60	-95.21
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)C(C(F)(F)F)=N1	REAL300010956578	1	38	-2.0	-124.28	340.42	1.98	-122.30
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCCOC1	REAL300010956579	1	37	-2.0	-117.16	343.04	4.81	-112.35
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CS2)CCCOC1	REAL300010956581	1	32	-2.0	-125.99	300.06	2.20	-123.79
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCOC1	REAL300010956596	1	38	-2.0	-123.25	335.29	3.20	-120.05
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCCOC1	REAL300010956597	1	38	-2.0	-130.69	353.08	5.19	-125.50
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CS2)CCCOC1	REAL300010956603	1	32	-2.0	-123.88	309.76	2.60	-121.28
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2Br)CCCOC1	REAL300010956664	1	34	-2.0	-126.80	310.39	1.64	-125.16
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=C1F	REAL300010956672	1	41	-2.0	-126.59	366.61	3.87	-122.72
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)O1	REAL300010956682	1	41	-2.0	-121.71	356.55	2.11	-119.60
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CCCOC1	REAL300010956689	1	34	-2.0	-120.54	323.73	1.81	-118.73
COC(=O)C1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)OC=C1	REAL300010956693	0	38	-2.0	-133.85	335.37	1.76	-132.09
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=N1	REAL300010956695	0	37	-2.0	-141.29	328.87	2.13	-139.16
CC1=NSC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=C1	REAL300010956700	1	34	-2.0	-118.28	310.28	1.43	-116.85
O=C([O-])C1(C[N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCCOC1	REAL300010956703	1	35	-2.0	-120.38	317.46	0.66	-119.72
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)NC=N2)CCCOC1	REAL300010956723	1	32	-2.0	-132.44	301.13	1.14	-131.30
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCCOC1	REAL300010956725	1	34	-2.0	-114.20	324.15	1.95	-112.25
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCCOC1	REAL300010956726	1	34	-2.0	-120.22	319.14	1.74	-118.48
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)N=C2F)CCCOC1	REAL300010956727	1	34	-2.0	-119.00	308.68	1.25	-117.75
CS(C)(=O)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCCOC1	REAL300010956730	1	35	-2.0	-154.14	304.46	-1.32	-155.46
O=C([O-])C1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CCCOC1	REAL300010956731	0	39	-2.0	-154.23	332.93	0.42	-153.81
CCS(=O)(CC)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCCOC1	REAL300010956737	0	41	-2.0	-157.48	346.21	0.75	-156.73
CN1N=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=C1C(F)(F)F	REAL300010956747	1	38	-2.0	-120.77	334.93	1.77	-119.00
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CCCOC1	REAL300010956757	0	36	-2.0	-99.04	303.92	1.66	-97.38
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCOC1	REAL300010956759	1	38	-2.0	-140.69	332.77	0.81	-139.88
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCCOC1	REAL300010956762	0	44	-2.0	-152.42	365.37	1.18	-151.24
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=NS2)CCCOC1	REAL300010956773	1	31	-2.0	-117.53	288.53	0.83	-116.70
O=C([O-])C1CCN(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300010956795	0	43	-2.0	-109.34	344.36	2.72	-106.62
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=CO2)CCCOC1	REAL300010956803	0	32	-2.0	-123.40	302.44	1.86	-121.54
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCOC1	REAL300010956813	1	39	-2.0	-122.81	335.28	3.30	-119.51
CC1=CSC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=N1	REAL300010956823	1	34	-2.0	-122.78	307.41	0.31	-122.47
CN1N=NN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCOC1	REAL300010956827	1	33	-2.0	-117.31	290.11	-0.76	-118.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010956841	0	38	-2.0	-100.37	325.72	3.31	-97.06
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCCOC1	REAL300010956843	1	38	-2.0	-136.48	331.22	2.36	-134.12
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCOC1	REAL300010956846	0	36	-2.0	-102.75	333.21	3.14	-99.61
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CCCOC1	REAL300010956876	1	32	-2.0	-119.46	306.17	1.86	-117.60
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCCOC1	REAL300010956904	1	35	-2.0	-118.63	322.97	1.96	-116.67
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CCCOC1	REAL300010956927	0	36	-2.0	-99.04	303.92	1.66	-97.38
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCOC1	REAL300010956931	1	37	-2.0	-120.62	340.12	2.02	-118.60
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)O2)CCCOC1	REAL300010956932	1	32	-2.0	-118.85	301.53	1.75	-117.10
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCOC1	REAL300010956934	1	37	-2.0	-120.62	340.12	2.02	-118.60
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCCOC1	REAL300010956938	1	35	-2.0	-119.30	329.30	3.74	-115.56
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=C(C2=CC=CC=C2)O1	REAL300010956950	1	44	-2.0	-137.04	372.97	1.91	-135.13
CCN1N=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=N1	REAL300010956966	1	37	-2.0	-123.93	322.49	0.00	-123.93
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010956976	1	41	-2.0	-100.07	354.03	0.77	-99.30
CCOC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=N[N-]1	REAL300010956976	1	41	-2.0	-100.11	354.08	0.77	-99.34
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=C1	REAL300010956978	0	38	-2.0	-115.57	354.41	1.88	-113.69
COC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)C(F)=C1	REAL300010956982	1	39	-2.0	-129.08	337.09	2.31	-126.77
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCCOC1	REAL300010956986	1	32	-2.0	-115.41	326.86	3.24	-112.17
N#CC1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)OC=C1	REAL300010956994	1	33	-2.0	-122.01	301.79	1.18	-120.83
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCOC1	REAL300010956995	1	38	-2.0	-140.69	332.77	0.81	-139.88
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=C(Br)C=N2)CCCOC1	REAL300010957024	0	33	-2.0	-123.86	312.86	0.43	-123.43
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2Cl)CCCOC1	REAL300010957027	1	34	-2.0	-128.68	306.80	1.50	-127.18
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300010957032	1	44	-2.0	-97.02	377.66	0.92	-96.10
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CCCOC1	REAL300010957035	0	34	-2.0	-131.34	322.68	1.98	-129.36
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CCCOC1	REAL300010957065	1	37	-2.0	-131.31	323.46	2.22	-129.09
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCOC1	REAL300010957085	1	41	-2.0	-141.39	349.79	4.42	-136.97
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=NS2)CCCOC1	REAL300010957090	0	31	-2.0	-114.31	305.71	1.56	-112.75
CC1=CC=C([O-])C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010957110	1	39	-2.0	-106.77	318.93	2.26	-104.51
O=C([O-])C1(CNS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CCCOC1	REAL300010957111	0	40	-2.0	-109.97	347.74	3.04	-106.93
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C2	REAL300010957130	1	41	-2.0	-124.13	341.24	5.94	-118.19
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C2	REAL300010957133	0	41	-2.0	-132.98	328.49	6.25	-126.73
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C2	REAL300010957149	1	41	-2.0	-124.70	331.88	6.09	-118.61
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C2	REAL300010957151	1	38	-2.0	-115.69	346.03	5.91	-109.78
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C2	REAL300010957162	1	41	-2.0	-115.79	338.17	6.15	-109.64
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C2	REAL300010957171	0	41	-2.0	-122.80	334.79	6.26	-116.54
CN1C=NC(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1Cl	REAL300010957187	1	41	-2.0	-134.04	337.46	5.53	-128.51
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010957208	1	45	-2.0	-125.39	358.45	6.45	-118.94
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)O1	REAL300010957227	1	44	-2.0	-116.78	360.05	4.97	-111.81
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C2	REAL300010957230	0	43	-2.0	-144.15	345.94	7.63	-136.52
CN1C=C(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)C(=O)N(C)C1=O	REAL300010957287	1	47	-2.0	-136.39	370.67	4.63	-131.76
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010957298	1	47	-2.0	-135.65	373.36	4.72	-130.93
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC3=CC=CC=C3O1)C2	REAL300010957353	1	44	-2.0	-131.61	349.74	6.36	-125.25
COC(=O)C1=COC(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300010957366	1	44	-2.0	-123.22	359.87	4.71	-118.51
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)O1	REAL300010957400	1	47	-2.0	-117.19	381.92	5.89	-111.30
CCN1C=C(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)C([N+](=O)[O-])=N1	REAL300010957411	1	46	-2.0	-136.82	373.48	6.65	-130.17
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-])C2	REAL300010957412	1	43	-2.0	-126.14	355.45	7.35	-118.79
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC=CC(F)=C1F)C2	REAL300010957426	1	41	-2.0	-132.69	334.94	5.88	-126.81
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(F)C=C(C#N)C=C1F)C2	REAL300010957440	0	42	-2.0	-121.46	349.19	6.60	-114.86
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C2	REAL300010957451	1	42	-2.0	-134.70	336.58	6.84	-127.86
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C2	REAL300010957496	1	40	-2.0	-119.79	341.00	5.14	-114.65
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C2	REAL300010957497	1	40	-2.0	-112.92	348.62	4.95	-107.97
COC(=O)C1=C(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)SC=N1	REAL300010957530	0	43	-2.0	-128.62	360.22	4.12	-124.50
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC=C(Br)O1)C2	REAL300010957539	1	38	-2.0	-116.37	324.89	4.90	-111.47
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C2	REAL300010957548	1	41	-2.0	-131.10	339.22	6.55	-124.55
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C2	REAL300010957604	0	41	-2.0	-121.14	341.85	6.38	-114.76
CC1=C(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)C(N)=NO1	REAL300010957626	1	42	-2.0	-115.84	329.60	3.07	-112.77
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2CC3CCC2(C(=O)[O-])C3(C)C)S1	REAL300010957632	1	44	-2.0	-110.92	366.10	2.38	-108.54
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C2	REAL300010957652	0	41	-2.0	-128.00	344.39	6.57	-121.43
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C2	REAL300010957657	1	41	-2.0	-125.10	342.22	6.55	-118.55
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC=C(C#N)O1)C2	REAL300010957674	1	39	-2.0	-117.74	323.90	4.51	-113.23
CN1C=C(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)C(C(F)(F)F)=N1	REAL300010957707	1	44	-2.0	-127.86	361.77	4.61	-123.25
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(F)C=CS1)C2	REAL300010957708	1	38	-2.0	-126.28	319.78	4.88	-121.40
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC3=CC(F)=CC=C3O1)C2	REAL300010957718	1	44	-2.0	-120.76	356.68	6.63	-114.13
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CNN=C1Cl)C2	REAL300010957721	1	38	-2.0	-121.95	321.40	2.57	-119.38
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(Cl)C=CS1)C2	REAL300010957723	1	38	-2.0	-123.11	327.89	5.39	-117.72
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)O1	REAL300010957776	1	47	-2.0	-122.63	377.42	5.33	-117.30
COC(=O)C1=C(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)OC=C1	REAL300010957784	0	44	-2.0	-131.69	352.64	5.64	-126.05
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300010957787	0	43	-2.0	-136.27	347.61	5.16	-131.11
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=NC=C[N-]1)C2	REAL300010957790	0	38	-2.0	-115.31	302.76	2.07	-113.24
CC1=NSC(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300010957792	1	40	-2.0	-119.68	331.65	4.05	-115.63
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C2	REAL300010957794	1	41	-2.0	-124.08	338.81	3.28	-120.80
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(Br)NC=N1)C2	REAL300010957808	1	38	-2.0	-128.49	319.85	4.17	-124.32
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C2	REAL300010957810	1	40	-2.0	-113.78	339.98	5.19	-108.59
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C2	REAL300010957811	1	40	-2.0	-123.48	337.34	4.57	-118.91
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C2	REAL300010957812	1	40	-2.0	-122.55	326.89	4.08	-118.47
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)N=S(C)(C)=O)C2	REAL300010957814	1	41	-2.0	-148.61	326.13	1.90	-146.71
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)N=S1(=O)CCCC1)C2	REAL300010957815	1	45	-2.0	-157.79	354.31	3.05	-154.74
CCS(=O)(CC)=NS(=O)(=O)[N-]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010957820	1	47	-2.0	-155.62	365.22	3.58	-152.04
CN1N=CC(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1C(F)(F)F	REAL300010957828	1	44	-2.0	-120.01	357.50	4.40	-115.61
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C2	REAL300010957836	0	42	-2.0	-108.34	328.95	5.03	-103.31
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010957838	1	44	-2.0	-135.20	351.49	3.79	-131.41
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010957841	1	50	-2.0	-156.07	384.37	4.01	-152.06
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC=NS1)C2	REAL300010957850	1	37	-2.0	-118.72	309.89	3.46	-115.26
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C2	REAL300010957870	0	49	-2.0	-106.01	371.45	5.46	-100.55
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(Br)C=CO1)C2	REAL300010957877	0	38	-2.0	-119.70	321.17	4.90	-114.80
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010957886	1	45	-2.0	-124.87	363.04	6.43	-118.44
CC1=CSC(S(=O)(=O)[N-]C2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300010957893	1	40	-2.0	-119.27	328.80	3.74	-115.53
CN1N=NN=C1S(=O)(=O)[N-]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300010957897	1	39	-2.0	-115.11	308.83	2.27	-112.84
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C2	REAL300010957909	0	44	-2.0	-112.66	350.42	6.42	-106.24
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=C(F)C=CC3=C1OCO3)C2	REAL300010957911	1	44	-2.0	-132.42	351.81	4.91	-127.51
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC=C(Br)O1)C2	REAL300010957940	1	38	-2.0	-116.37	324.89	4.90	-111.47
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C2	REAL300010957962	1	41	-2.0	-119.35	343.84	5.18	-114.17
CC1(C)C2CCC1(C(=O)[O-])C(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C2	REAL300010957979	0	42	-2.0	-108.34	328.95	5.03	-103.31
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC=C(Cl)O1)C2	REAL300010957983	1	38	-2.0	-115.73	320.25	4.79	-110.94
CC1(C)C2CCC1(C(=O)[O-])C([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C2	REAL300010957986	1	41	-2.0	-123.11	350.70	6.37	-116.74
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010959111	0	31	-2.0	-109.48	290.42	5.17	-104.31
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010959209	1	34	-2.0	-95.89	315.30	2.31	-93.58
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=N[N-]1	REAL300010959209	1	34	-2.0	-95.89	315.43	2.29	-93.60
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300010959248	1	37	-2.0	-105.69	335.60	2.36	-103.33
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCOC1	REAL300010959301	1	32	-2.0	-116.21	301.69	2.11	-114.10
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCOC1	REAL300010959304	0	32	-2.0	-127.84	292.11	2.20	-125.64
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCOC1	REAL300010959330	1	32	-2.0	-118.66	295.54	2.05	-116.61
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCOC1	REAL300010959332	1	29	-2.0	-111.34	306.90	2.00	-109.34
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CCOC1	REAL300010959338	1	32	-2.0	-111.09	323.94	3.73	-107.36
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCOC1	REAL300010959345	1	32	-2.0	-110.56	302.22	2.02	-108.54
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCOC1	REAL300010959357	0	32	-2.0	-116.52	298.51	2.27	-114.25
CN1C=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)=C1Cl	REAL300010959374	1	32	-2.0	-129.37	301.49	1.41	-127.96
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOC1	REAL300010959412	1	36	-2.0	-121.13	321.70	2.32	-118.81
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)O1	REAL300010959448	1	35	-2.0	-113.02	323.57	0.64	-112.38
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCOC1	REAL300010959451	0	34	-2.0	-135.51	311.97	3.42	-132.09
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCOC1	REAL300010959455	1	32	-2.0	-122.60	303.68	2.79	-119.81
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CCOC1	REAL300010959462	0	34	-2.0	-120.30	332.79	4.44	-115.86
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CCOC1	REAL300010959491	1	34	-2.0	-130.58	319.71	3.92	-126.66
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)C(=O)N(C)C1=O	REAL300010959543	1	38	-2.0	-131.88	332.57	0.70	-131.18
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOC1	REAL300010959558	1	38	-2.0	-135.43	338.21	0.34	-135.09
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])CCOC1	REAL300010959585	1	34	-2.0	-124.64	323.66	3.85	-120.79
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCOC1	REAL300010959625	1	35	-2.0	-123.28	313.79	2.24	-121.04
COC(=O)C1=COC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)=C1	REAL300010959637	1	35	-2.0	-121.96	325.88	0.42	-121.54
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)O1	REAL300010959672	1	38	-2.0	-113.24	345.43	1.57	-111.67
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)CCOC1	REAL300010959679	1	35	-2.0	-121.57	322.47	4.00	-117.57
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=CS2)CCOC1	REAL300010959681	1	29	-2.0	-115.79	296.33	1.42	-114.37
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)CCOC1	REAL300010959687	1	31	-2.0	-111.15	313.64	1.17	-109.98
CCN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)C([N+](=O)[O-])=N1	REAL300010959690	1	37	-2.0	-122.21	334.34	2.73	-119.48
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])CCOC1	REAL300010959691	1	34	-2.0	-124.78	317.42	3.25	-121.53
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCOC2)C(F)=C1	REAL300010959696	1	40	-2.0	-95.31	355.91	-1.37	-96.68
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CC(F)=C2F)CCOC1	REAL300010959715	1	32	-2.0	-121.33	295.81	1.97	-119.36
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)C(F)=C1	REAL300010959746	0	33	-2.0	-116.51	313.32	2.52	-113.99
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])CCOC1	REAL300010959761	1	33	-2.0	-124.88	299.83	2.62	-122.26
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCOC1	REAL300010959792	0	37	-2.0	-95.83	342.55	1.24	-94.59
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCOC1	REAL300010959792	1	37	-2.0	-95.81	342.61	1.24	-94.57
CC1=C(Br)SC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)=N1	REAL300010959797	0	31	-2.0	-116.95	312.37	0.06	-116.89
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)CCOC1	REAL300010959805	0	32	-2.0	-105.90	310.87	2.40	-103.50
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)CCOC1	REAL300010959815	1	31	-2.0	-118.14	304.95	1.12	-117.02
O=C([O-])C1(C[N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)CCOC1	REAL300010959818	1	31	-2.0	-108.65	309.46	1.03	-107.62
COC(=O)C1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)SC=N1	REAL300010959851	0	34	-2.0	-124.56	323.03	0.09	-124.47
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CCOC1	REAL300010959861	1	29	-2.0	-112.94	288.40	0.57	-112.37
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCOC1	REAL300010959872	1	32	-2.0	-123.78	300.09	2.65	-121.13
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCOC1	REAL300010959927	1	32	-2.0	-110.60	318.81	3.05	-107.55
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCOC1	REAL300010959943	0	32	-2.0	-116.95	305.10	2.26	-114.69
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CCOC1	REAL300010959958	1	34	-2.0	-108.41	337.81	3.47	-104.94
CC1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)C(N)=NO1	REAL300010959977	1	33	-2.0	-109.34	291.56	-0.78	-110.12
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCOC1	REAL300010959980	0	34	-2.0	-112.99	335.89	2.91	-110.08
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCOC1	REAL300010959982	1	34	-2.0	-106.11	330.18	2.95	-103.16
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCOC1	REAL300010959983	1	32	-2.0	-109.90	313.61	3.30	-106.60
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300010959990	1	35	-2.0	-93.80	326.07	-1.45	-95.25
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCOC1	REAL300010960014	0	32	-2.0	-118.49	306.36	2.71	-115.78
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCOC1	REAL300010960020	1	32	-2.0	-119.13	305.86	2.50	-116.63
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CCOC1	REAL300010960023	1	34	-2.0	-117.40	331.58	3.69	-113.71
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1(C(=O)[O-])CCOC1	REAL300010960026	0	40	-2.0	-116.61	349.42	3.27	-113.34
N#CC1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)O1	REAL300010960043	1	30	-2.0	-108.95	287.95	0.39	-108.56
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)=C(Br)N1C	REAL300010960051	1	35	-2.0	-131.14	324.64	1.30	-129.84
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCOC1	REAL300010960055	0	36	-2.0	-98.41	321.61	1.79	-96.62
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)C(C(F)(F)F)=N1	REAL300010960087	1	35	-2.0	-117.76	322.66	0.69	-117.07
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCOC1	REAL300010960088	1	34	-2.0	-115.10	329.43	3.89	-111.21
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CS2)CCOC1	REAL300010960090	1	29	-2.0	-118.98	282.30	0.91	-118.07
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCOC1	REAL300010960104	1	35	-2.0	-116.92	320.20	2.31	-114.61
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCOC1	REAL300010960105	1	35	-2.0	-123.60	335.32	3.90	-119.70
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CS2)CCOC1	REAL300010960112	1	29	-2.0	-116.74	292.00	1.31	-115.43
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)=C1F	REAL300010960150	1	38	-2.0	-120.52	359.17	3.02	-117.50
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2Br)CCOC1	REAL300010960180	1	31	-2.0	-125.08	296.55	0.63	-124.45
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)=C1F	REAL300010960190	1	38	-2.0	-119.96	348.85	2.57	-117.39
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)O1	REAL300010960200	1	38	-2.0	-115.69	341.07	1.30	-114.39
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CCOC1	REAL300010960210	1	31	-2.0	-113.93	305.97	0.52	-113.41
COC(=O)C1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)OC=C1	REAL300010960214	0	35	-2.0	-127.46	317.40	1.23	-126.23
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)=N1	REAL300010960217	0	34	-2.0	-131.05	311.11	0.84	-130.21
CC1=NSC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)=C1	REAL300010960222	1	31	-2.0	-111.71	292.51	0.12	-111.59
O=C([O-])C1(C[N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCOC1	REAL300010960225	1	32	-2.0	-114.06	299.69	-0.63	-114.69
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)NC=N2)CCOC1	REAL300010960245	1	29	-2.0	-124.93	284.48	-0.22	-125.15
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCOC1	REAL300010960247	1	31	-2.0	-111.18	309.06	1.06	-110.12
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCOC1	REAL300010960248	1	31	-2.0	-113.60	301.38	0.45	-113.15
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)N=C2F)CCOC1	REAL300010960249	1	31	-2.0	-112.42	290.92	-0.04	-112.46
CS(C)(=O)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCOC1	REAL300010960254	1	32	-2.0	-148.25	289.37	-2.20	-150.45
O=C([O-])C1(C[N-]S(=O)(=O)N=S2(=O)CCCC2)CCOC1	REAL300010960255	0	36	-2.0	-151.09	315.20	-0.88	-151.97
CCS(=O)(CC)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCOC1	REAL300010960260	0	38	-2.0	-145.88	328.43	-0.56	-146.44
CN1N=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)=C1C(F)(F)F	REAL300010960270	1	35	-2.0	-115.06	318.39	0.42	-114.64
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CCOC1	REAL300010960280	0	33	-2.0	-95.02	288.31	0.92	-94.10
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOC1	REAL300010960282	1	35	-2.0	-134.95	316.31	-0.58	-135.53
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CCOC1	REAL300010960285	0	41	-2.0	-150.25	347.58	-0.12	-150.37
O=C([O-])C1CCN(S(=O)(=O)NCC2(C(=O)[O-])CCOC2)CC1	REAL300010960324	0	40	-2.0	-105.69	328.49	1.90	-103.79
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=CO2)CCOC1	REAL300010960334	0	29	-2.0	-117.50	285.79	0.52	-116.98
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOC1	REAL300010960344	1	36	-2.0	-124.34	320.50	2.51	-121.83
CC1=CSC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)=N1	REAL300010960356	1	31	-2.0	-119.09	292.76	-0.63	-119.72
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300010960374	0	35	-2.0	-97.69	310.10	2.56	-95.13
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCOC1	REAL300010960376	1	35	-2.0	-131.52	315.42	0.90	-130.62
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCOC1	REAL300010960379	0	33	-2.0	-98.76	318.59	1.72	-97.04
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CCOC1	REAL300010960413	1	29	-2.0	-112.94	288.40	0.57	-112.37
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCOC1	REAL300010960442	1	32	-2.0	-112.82	309.85	0.90	-111.92
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])CCOC1	REAL300010960465	0	33	-2.0	-95.02	288.31	0.92	-94.10
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCOC1	REAL300010960470	1	34	-2.0	-111.89	325.03	1.12	-110.77
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)O2)CCOC1	REAL300010960472	1	29	-2.0	-112.35	283.77	0.45	-111.90
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCOC1	REAL300010960474	1	34	-2.0	-111.89	325.03	1.12	-110.77
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CCOC1	REAL300010960478	1	32	-2.0	-115.23	311.15	2.53	-112.70
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)=C(C2=CC=CC=C2)O1	REAL300010960491	1	41	-2.0	-134.64	360.42	0.88	-133.76
CCN1N=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)=N1	REAL300010960508	1	34	-2.0	-117.61	304.34	-1.21	-118.82
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300010960517	1	38	-2.0	-95.32	339.15	-0.10	-95.42
CCOC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CCOC2)=N[N-]1	REAL300010960517	1	38	-2.0	-95.32	339.19	-0.11	-95.43
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)=C1	REAL300010960519	0	35	-2.0	-110.27	338.19	1.20	-109.07
COC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)C(F)=C1	REAL300010960523	1	36	-2.0	-124.34	322.01	1.43	-122.91
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CCOC1	REAL300010960528	1	29	-2.0	-110.97	311.06	1.79	-109.18
N#CC1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOC2)OC=C1	REAL300010960538	1	30	-2.0	-117.74	286.71	0.30	-117.44
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOC1	REAL300010960539	1	35	-2.0	-134.95	316.31	-0.58	-135.53
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=C(Br)C=N2)CCOC1	REAL300010960571	0	30	-2.0	-118.26	296.64	-0.25	-118.51
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2Cl)CCOC1	REAL300010960574	1	31	-2.0	-125.96	292.89	0.51	-125.45
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CCOC2)S1	REAL300010960580	1	41	-2.0	-94.14	363.01	0.10	-94.04
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CCOC1	REAL300010960584	0	31	-2.0	-126.52	306.89	0.53	-125.99
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CCOC1	REAL300010960612	1	34	-2.0	-126.35	307.05	1.44	-124.91
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)CCOC1	REAL300010960618	0	31	-2.0	-116.74	313.31	1.13	-115.61
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOC1	REAL300010960634	1	38	-2.0	-117.64	349.42	4.02	-113.62
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOC1	REAL300010960636	1	38	-2.0	-137.19	336.56	3.48	-133.71
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=NS2)CCOC1	REAL300010960642	0	28	-2.0	-110.26	289.92	0.11	-110.15
CC1=CC=C([O-])C(S(=O)(=O)NCC2(C(=O)[O-])CCOC2)=C1	REAL300010960658	1	36	-2.0	-107.14	304.29	1.45	-105.69
O=C([O-])C1(CNS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CCOC1	REAL300010960659	0	37	-2.0	-105.74	332.83	2.15	-103.59
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010960681	1	40	-2.0	-132.98	347.14	6.70	-126.28
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010960684	0	40	-2.0	-149.15	337.61	6.79	-142.36
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010960706	1	40	-2.0	-135.75	345.49	6.07	-129.68
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010960708	1	37	-2.0	-127.12	351.92	6.66	-120.46
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010960720	1	40	-2.0	-125.17	352.38	6.11	-119.06
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010960731	0	40	-2.0	-133.49	349.15	6.27	-127.22
CN1C=NC(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])=C1Cl	REAL300010960750	1	40	-2.0	-144.86	345.69	6.09	-138.77
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(CC1CCCCC1)C(=O)[O-]	REAL300010960777	1	44	-2.0	-142.63	366.74	6.96	-135.67
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])O1	REAL300010960803	1	43	-2.0	-129.84	366.73	5.39	-124.45
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010960806	0	42	-2.0	-154.15	351.87	7.99	-146.16
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010960837	1	42	-2.0	-147.59	364.38	8.29	-139.30
CN1C=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])C(=O)N(C)C1=O	REAL300010960877	1	46	-2.0	-132.86	380.16	4.95	-127.91
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CC1CCCCC1)C(=O)[O-]	REAL300010960891	1	46	-2.0	-151.64	388.30	4.43	-147.21
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010960918	1	42	-2.0	-140.14	365.02	8.57	-131.57
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010960959	1	43	-2.0	-139.90	363.92	6.32	-133.58
COC(=O)C1=COC(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])=C1	REAL300010960973	1	43	-2.0	-131.06	374.06	4.67	-126.39
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])O1	REAL300010961007	1	46	-2.0	-131.58	390.51	6.25	-125.33
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010961014	1	37	-2.0	-134.79	339.46	6.17	-128.62
CCN1C=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010961022	1	45	-2.0	-140.96	382.73	6.86	-134.10
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010961023	1	42	-2.0	-146.47	367.35	7.33	-139.14
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010961041	1	40	-2.0	-140.83	345.37	6.07	-134.76
N#CC1=CC(F)=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])C(F)=C1	REAL300010961058	0	41	-2.0	-134.87	358.37	7.17	-127.70
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010961071	1	41	-2.0	-145.61	341.27	7.02	-138.59
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010961122	1	39	-2.0	-131.44	348.05	5.91	-125.53
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010961123	1	39	-2.0	-123.74	352.62	5.79	-117.95
COC(=O)C1=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])SC=N1	REAL300010961156	0	42	-2.0	-142.43	369.06	4.28	-138.15
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010961165	1	37	-2.0	-131.68	333.49	5.26	-126.42
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010961174	1	40	-2.0	-141.44	349.63	6.75	-134.69
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010961225	1	40	-2.0	-125.40	369.19	7.05	-118.35
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010961238	0	40	-2.0	-135.05	350.18	6.92	-128.13
CC1=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])C(N)=NO1	REAL300010961263	1	41	-2.0	-124.20	335.51	3.89	-120.31
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010961265	1	40	-2.0	-124.85	364.21	7.31	-117.54
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300010961270	1	43	-2.0	-98.17	374.66	2.45	-95.72
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010961290	0	40	-2.0	-134.64	349.49	7.41	-127.23
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010961295	1	40	-2.0	-139.26	351.32	7.09	-132.17
N#CC1=CC=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])O1	REAL300010961314	1	38	-2.0	-124.75	333.04	5.06	-119.69
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010961324	0	44	-2.0	-102.05	373.32	5.79	-96.26
CN1C=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010961350	1	43	-2.0	-134.52	372.32	4.79	-129.73
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300010961351	1	37	-2.0	-139.81	325.43	5.65	-134.16
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010961364	1	43	-2.0	-131.93	370.34	6.39	-125.54
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300010961367	1	37	-2.0	-127.67	325.45	3.39	-124.28
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010961369	1	37	-2.0	-136.16	335.13	6.06	-130.10
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010961419	1	39	-2.0	-141.69	346.69	4.71	-136.98
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])O1	REAL300010961432	1	46	-2.0	-132.48	386.52	5.89	-126.59
COC(=O)C1=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])OC=C1	REAL300010961442	0	43	-2.0	-149.13	365.34	5.47	-143.66
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])=N1	REAL300010961444	0	42	-2.0	-149.80	354.10	5.31	-144.49
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=NC=C[N-]1	REAL300010961447	0	37	-2.0	-112.39	314.40	2.36	-110.03
CC1=NSC(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])=C1	REAL300010961450	1	39	-2.0	-127.17	342.66	4.22	-122.95
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010961452	1	40	-2.0	-131.33	344.06	3.96	-127.37
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010961471	1	37	-2.0	-140.77	334.64	3.86	-136.91
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010961473	1	39	-2.0	-127.30	354.16	5.72	-121.58
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010961474	1	39	-2.0	-127.81	344.57	5.19	-122.62
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010961475	1	39	-2.0	-127.45	336.03	4.63	-122.82
CN1N=CC(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])=C1C(F)(F)F	REAL300010961493	1	43	-2.0	-127.86	366.76	4.57	-123.29
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010961503	0	41	-2.0	-111.03	345.30	5.20	-105.83
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CC1CCCCC1)C(=O)[O-]	REAL300010961505	1	43	-2.0	-152.17	358.15	4.27	-147.90
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C(CC1CCCCC1)C(=O)[O-]	REAL300010961508	1	49	-2.0	-170.95	392.66	4.44	-166.51
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=NS1	REAL300010961519	1	36	-2.0	-126.39	320.91	3.63	-122.76
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010961539	0	48	-2.0	-103.54	374.03	5.58	-97.96
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010961547	0	37	-2.0	-135.37	333.19	5.11	-130.26
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(CC1CCCCC1)C(=O)[O-]	REAL300010961557	1	44	-2.0	-140.24	367.14	7.24	-133.00
CC1=CSC(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])=N1	REAL300010961565	1	39	-2.0	-133.60	342.66	3.47	-130.13
CN1N=NN=C1S(=O)(=O)[N-]C(CC1CCCCC1)C(=O)[O-]	REAL300010961569	1	38	-2.0	-121.09	316.56	2.66	-118.43
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300010961584	0	43	-2.0	-105.29	366.61	7.22	-98.07
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010961586	1	43	-2.0	-146.22	356.62	5.66	-140.56
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010961589	0	41	-2.0	-113.41	369.77	6.39	-107.02
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010961620	1	37	-2.0	-131.68	333.49	5.26	-126.42
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010961647	1	40	-2.0	-125.32	351.03	5.81	-119.51
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010961669	0	41	-2.0	-111.03	345.30	5.20	-105.83
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010961674	1	42	-2.0	-126.72	370.12	5.79	-120.93
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300010961675	1	37	-2.0	-131.16	328.86	5.15	-126.01
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010961677	1	42	-2.0	-126.72	370.12	5.79	-120.93
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010961680	1	40	-2.0	-130.65	361.70	6.54	-124.11
CC1=NC(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010961692	1	49	-2.0	-151.04	409.96	4.91	-146.13
CCN1N=CC(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])=N1	REAL300010961706	1	42	-2.0	-135.12	349.82	3.41	-131.71
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300010961716	1	46	-2.0	-102.02	383.82	4.27	-97.75
CCOC(=O)C1=CC(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=N[N-]1	REAL300010961716	1	46	-2.0	-102.12	383.96	4.26	-97.86
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])=C1	REAL300010961718	0	43	-2.0	-122.92	381.71	5.88	-117.04
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])C(F)=C1	REAL300010961721	1	44	-2.0	-139.13	372.17	5.50	-133.63
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010961725	1	37	-2.0	-125.11	354.19	6.62	-118.49
N#CC1=C(S(=O)(=O)[N-]C(CC2CCCCC2)C(=O)[O-])OC=C1	REAL300010961731	1	38	-2.0	-136.22	331.76	4.99	-131.23
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CC1CCCCC1)C(=O)[O-]	REAL300010961732	1	43	-2.0	-152.17	358.15	4.27	-147.90
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010961757	0	38	-2.0	-136.33	342.13	4.34	-131.99
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=NNN=C1	REAL300010961760	1	36	-2.0	-129.04	304.95	1.47	-127.57
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010961761	1	39	-2.0	-146.01	337.94	5.19	-140.82
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010961795	1	42	-2.0	-145.47	352.09	6.10	-139.37
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(CC1CCCCC1)C(=O)[O-]	REAL300010961812	1	46	-2.0	-156.18	379.70	7.88	-148.30
O=C([O-])C(CC1CCCCC1)[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010961817	0	36	-2.0	-121.04	331.11	4.99	-116.05
CC1=CC=C([O-])C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300010961839	1	44	-2.0	-126.09	358.44	6.02	-120.07
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010961861	1	40	-2.0	-133.03	347.14	6.70	-126.33
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010961864	0	40	-2.0	-145.55	342.70	6.20	-139.35
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010961886	1	40	-2.0	-138.99	340.98	6.64	-132.35
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010961888	1	37	-2.0	-127.16	351.92	6.66	-120.50
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010961900	1	40	-2.0	-125.17	352.38	6.11	-119.06
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010961911	0	40	-2.0	-136.22	343.98	6.85	-129.37
CN1C=NC(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])=C1Cl	REAL300010961930	1	40	-2.0	-142.77	344.64	6.14	-136.63
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H](CC1CCCCC1)C(=O)[O-]	REAL300010961957	1	44	-2.0	-138.67	364.82	6.85	-131.82
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])O1	REAL300010961983	1	43	-2.0	-131.17	368.62	5.31	-125.86
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010961986	0	42	-2.0	-152.95	355.10	8.21	-144.74
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010962017	1	42	-2.0	-140.91	364.54	8.07	-132.84
CN1C=C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])C(=O)N(C)C1=O	REAL300010962057	1	46	-2.0	-136.32	376.04	5.51	-130.81
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC1CCCCC1)C(=O)[O-]	REAL300010962071	1	46	-2.0	-152.60	380.02	5.20	-147.40
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010962098	1	42	-2.0	-141.26	364.29	8.59	-132.67
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010962139	1	43	-2.0	-139.91	363.92	6.31	-133.60
COC(=O)C1=COC(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300010962153	1	43	-2.0	-131.03	374.06	4.67	-126.36
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])O1	REAL300010962187	1	46	-2.0	-130.31	388.56	6.32	-123.99
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010962194	1	37	-2.0	-136.24	341.38	6.09	-130.15
CCN1C=C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010962202	1	45	-2.0	-141.55	375.88	7.25	-134.30
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010962203	1	42	-2.0	-146.31	360.55	7.83	-138.48
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010962221	1	40	-2.0	-143.23	340.87	6.64	-136.59
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])C(F)=C1	REAL300010962238	0	41	-2.0	-131.40	363.47	6.60	-124.80
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010962251	1	41	-2.0	-141.02	343.63	7.21	-133.81
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010962302	1	39	-2.0	-132.74	348.04	5.91	-126.83
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010962303	1	39	-2.0	-120.04	359.43	5.13	-114.91
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])SC=N1	REAL300010962336	0	42	-2.0	-138.60	369.00	4.28	-134.32
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010962345	1	37	-2.0	-130.40	331.53	5.33	-125.07
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010962354	1	40	-2.0	-140.58	343.20	7.34	-133.24
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010962405	1	40	-2.0	-127.39	364.25	7.62	-119.77
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010962418	0	40	-2.0	-135.03	350.16	6.90	-128.13
CC1=C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])C(N)=NO1	REAL300010962443	1	41	-2.0	-121.82	333.58	3.96	-117.86
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010962445	1	40	-2.0	-125.19	357.15	7.92	-117.27
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])S1	REAL300010962450	1	43	-2.0	-107.77	378.31	2.62	-105.15
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010962470	0	40	-2.0	-136.30	351.41	7.34	-128.96
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010962475	1	40	-2.0	-139.26	351.31	7.09	-132.17
N#CC1=CC=C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])O1	REAL300010962494	1	38	-2.0	-127.12	331.08	5.14	-121.98
O=C([O-])[C@H](CC1CCCCC1)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010962504	0	44	-2.0	-112.90	369.37	6.23	-106.67
CN1C=C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010962530	1	43	-2.0	-135.44	367.04	5.28	-130.16
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300010962531	1	37	-2.0	-141.25	327.36	5.58	-135.67
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010962544	1	43	-2.0	-134.45	365.26	6.98	-127.47
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300010962547	1	37	-2.0	-130.73	327.36	3.33	-127.40
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010962549	1	37	-2.0	-137.63	337.05	5.99	-131.64
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010962599	1	39	-2.0	-139.41	340.36	5.36	-134.05
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])O1	REAL300010962612	1	46	-2.0	-132.42	386.55	5.92	-126.50
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])OC=C1	REAL300010962622	0	43	-2.0	-149.20	365.34	5.48	-143.72
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300010962624	0	42	-2.0	-149.55	362.53	4.83	-144.72
O=C([O-])[C@H](CC1CCCCC1)NS(=O)(=O)C1=NC=C[N-]1	REAL300010962627	0	37	-2.0	-113.18	314.69	2.34	-110.84
CC1=NSC(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300010962630	1	39	-2.0	-128.45	335.64	4.90	-123.55
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010962632	1	40	-2.0	-129.82	341.83	4.02	-125.80
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010962651	1	37	-2.0	-141.76	326.50	4.62	-137.14
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010962653	1	39	-2.0	-125.15	352.23	5.79	-119.36
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010962654	1	39	-2.0	-131.29	344.56	5.20	-126.09
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010962655	1	39	-2.0	-131.47	336.03	4.64	-126.83
CN1N=CC(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])=C1C(F)(F)F	REAL300010962673	1	43	-2.0	-129.41	361.37	5.08	-124.33
O=C([O-])[C@H](CC1CCCCC1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010962683	0	41	-2.0	-114.10	336.73	5.29	-108.81
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC1CCCCC1)C(=O)[O-]	REAL300010962685	1	43	-2.0	-152.13	358.16	4.27	-147.86
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-][C@@H](CC1CCCCC1)C(=O)[O-]	REAL300010962688	1	49	-2.0	-171.01	392.67	4.42	-166.59
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=NS1	REAL300010962699	1	36	-2.0	-127.65	313.89	4.31	-123.34
O=C([O-])[C@H](CC1CCCCC1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010962719	0	48	-2.0	-98.88	383.67	6.03	-92.85
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010962727	0	37	-2.0	-135.18	330.84	5.21	-129.97
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H](CC1CCCCC1)C(=O)[O-]	REAL300010962737	1	44	-2.0	-138.73	370.61	6.60	-132.13
CC1=CSC(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300010962745	1	39	-2.0	-136.21	335.64	4.13	-132.08
CN1N=NN=C1S(=O)(=O)[N-][C@@H](CC1CCCCC1)C(=O)[O-]	REAL300010962749	1	38	-2.0	-122.62	318.25	2.58	-120.04
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300010962764	0	43	-2.0	-101.54	358.66	6.51	-95.03
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010962766	1	43	-2.0	-148.26	358.54	5.73	-142.53
O=C([O-])[C@H](CC1CCCCC1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010962769	0	41	-2.0	-110.25	362.38	6.60	-103.65
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010962800	1	37	-2.0	-130.40	331.53	5.33	-125.07
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010962827	1	40	-2.0	-129.82	352.93	5.74	-124.08
O=C([O-])[C@H](CC1CCCCC1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010962849	0	41	-2.0	-114.10	336.73	5.29	-108.81
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010962854	1	42	-2.0	-130.61	369.32	5.72	-124.89
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300010962855	1	37	-2.0	-129.84	326.90	5.22	-124.62
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010962857	1	42	-2.0	-130.61	369.32	5.72	-124.89
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010962860	1	40	-2.0	-131.01	354.66	7.20	-123.81
CC1=NC(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010962872	1	49	-2.0	-141.30	404.32	5.65	-135.65
CCN1N=CC(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300010962886	1	42	-2.0	-133.87	347.89	3.47	-130.40
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300010962896	1	46	-2.0	-112.42	392.95	3.94	-108.48
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=N[N-]1	REAL300010962896	1	46	-2.0	-112.38	393.05	3.94	-108.44
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300010962898	0	43	-2.0	-126.47	383.68	5.82	-120.65
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])C(F)=C1	REAL300010962901	1	44	-2.0	-139.12	372.17	5.50	-133.62
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010962905	1	37	-2.0	-124.38	354.19	6.63	-117.75
N#CC1=C(S(=O)(=O)[N-][C@@H](CC2CCCCC2)C(=O)[O-])OC=C1	REAL300010962911	1	38	-2.0	-135.45	331.30	5.05	-130.40
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC1CCCCC1)C(=O)[O-]	REAL300010962912	1	43	-2.0	-152.13	358.16	4.27	-147.86
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010962937	0	38	-2.0	-135.00	340.16	4.42	-130.58
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=NNN=C1	REAL300010962940	1	36	-2.0	-125.89	303.01	1.52	-124.37
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010962941	1	39	-2.0	-141.56	336.77	5.23	-136.33
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010962975	1	42	-2.0	-145.49	352.10	6.08	-139.41
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@@H](CC1CCCCC1)C(=O)[O-]	REAL300010962992	1	46	-2.0	-158.41	377.00	8.12	-150.29
O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010962997	0	36	-2.0	-123.10	331.12	5.03	-118.07
CC1=CC=C([O-])C(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300010963019	1	44	-2.0	-124.13	351.74	5.89	-118.24
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010963041	1	40	-2.0	-127.50	345.21	6.77	-120.73
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010963044	0	40	-2.0	-149.14	337.60	6.78	-142.36
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010963066	1	40	-2.0	-139.17	341.00	6.64	-132.53
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010963068	1	37	-2.0	-127.62	349.99	6.74	-120.88
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010963080	1	40	-2.0	-128.18	347.28	6.68	-121.50
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010963091	0	40	-2.0	-136.21	344.00	6.85	-129.36
CN1C=NC(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])=C1Cl	REAL300010963110	1	40	-2.0	-147.71	346.56	6.11	-141.60
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-]	REAL300010963137	1	44	-2.0	-140.21	366.74	6.79	-133.42
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])O1	REAL300010963163	1	43	-2.0	-128.34	368.66	5.32	-123.02
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010963166	0	42	-2.0	-150.89	353.32	8.29	-142.60
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010963197	1	42	-2.0	-143.68	361.05	8.80	-134.88
CN1C=C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])C(=O)N(C)C1=O	REAL300010963237	1	46	-2.0	-143.76	375.69	5.37	-138.39
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-]	REAL300010963251	1	46	-2.0	-151.87	380.02	4.91	-146.96
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010963278	1	42	-2.0	-140.06	364.89	8.55	-131.51
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010963319	1	43	-2.0	-139.88	358.86	6.92	-132.96
COC(=O)C1=COC(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300010963333	1	43	-2.0	-134.43	367.06	5.35	-129.08
CCOC(=O)C1=CC=C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])O1	REAL300010963367	1	46	-2.0	-128.57	390.52	6.25	-122.32
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010963374	1	37	-2.0	-136.27	341.39	6.09	-130.18
CCN1C=C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010963382	1	45	-2.0	-137.35	379.40	7.40	-129.95
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010963383	1	42	-2.0	-141.97	361.11	7.86	-134.11
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010963401	1	40	-2.0	-139.29	340.85	6.62	-132.67
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])C(F)=C1	REAL300010963418	0	41	-2.0	-133.41	356.45	7.26	-126.15
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-]	REAL300010963431	1	41	-2.0	-141.15	343.53	7.22	-133.93
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl	REAL300010963482	1	39	-2.0	-131.42	348.06	5.93	-125.49
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl	REAL300010963483	1	39	-2.0	-125.02	354.52	5.71	-119.31
COC(=O)C1=C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])SC=N1	REAL300010963516	0	42	-2.0	-142.45	369.06	4.28	-138.17
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010963525	1	37	-2.0	-129.09	333.50	5.25	-123.84
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010963534	1	40	-2.0	-144.97	345.13	7.28	-137.69
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010963585	1	40	-2.0	-125.24	362.33	7.71	-117.53
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010963598	0	40	-2.0	-135.08	350.15	6.89	-128.19
CC1=C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])C(N)=NO1	REAL300010963623	1	41	-2.0	-122.22	334.70	3.95	-118.27
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010963625	1	40	-2.0	-126.76	359.10	7.86	-118.90
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H](CC2CCCCC2)C(=O)[O-])S1	REAL300010963630	1	43	-2.0	-97.83	374.60	2.47	-95.36
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010963650	0	40	-2.0	-140.95	351.44	7.36	-133.59
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010963655	1	40	-2.0	-137.41	349.41	7.17	-130.24
N#CC1=CC=C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])O1	REAL300010963674	1	38	-2.0	-124.74	333.04	5.06	-119.68
O=C([O-])[C@@H](CC1CCCCC1)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010963684	0	44	-2.0	-101.90	372.51	6.68	-95.22
CN1C=C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010963710	1	43	-2.0	-132.89	367.72	5.36	-127.53
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CS1	REAL300010963711	1	37	-2.0	-141.22	327.36	5.58	-135.64
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010963724	1	43	-2.0	-131.57	363.35	7.08	-124.49
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CNN=C1Cl	REAL300010963727	1	37	-2.0	-127.68	325.43	3.40	-124.28
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010963729	1	37	-2.0	-137.61	337.06	5.99	-131.62
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010963779	1	39	-2.0	-141.40	339.68	5.35	-136.05
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])O1	REAL300010963792	1	46	-2.0	-129.60	386.53	5.91	-123.69
COC(=O)C1=C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])OC=C1	REAL300010963802	0	43	-2.0	-147.73	363.41	5.55	-142.18
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300010963804	0	42	-2.0	-151.82	356.18	5.27	-146.55
O=C([O-])[C@@H](CC1CCCCC1)NS(=O)(=O)C1=NC=C[N-]1	REAL300010963807	0	37	-2.0	-104.19	311.92	2.29	-101.90
CC1=NSC(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300010963810	1	39	-2.0	-128.04	337.57	4.81	-123.23
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010963812	1	40	-2.0	-127.67	342.85	4.12	-123.55
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010963831	1	37	-2.0	-141.56	329.58	4.45	-137.11
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010963833	1	39	-2.0	-125.97	352.22	5.81	-120.16
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010963834	1	39	-2.0	-127.79	344.56	5.19	-122.60
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010963835	1	39	-2.0	-127.46	336.03	4.63	-122.83
CN1N=CC(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])=C1C(F)(F)F	REAL300010963853	1	43	-2.0	-130.94	362.22	5.16	-125.78
O=C([O-])[C@@H](CC1CCCCC1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010963863	0	41	-2.0	-116.84	336.81	5.61	-111.23
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-]	REAL300010963865	1	43	-2.0	-155.33	361.40	3.87	-151.46
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-]	REAL300010963868	1	49	-2.0	-164.65	390.72	4.61	-160.04
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=NS1	REAL300010963879	1	36	-2.0	-126.22	313.89	4.30	-121.92
O=C([O-])[C@@H](CC1CCCCC1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010963899	0	48	-2.0	-104.26	377.48	5.73	-98.53
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010963907	0	37	-2.0	-133.97	331.27	5.20	-128.77
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-]	REAL300010963917	1	44	-2.0	-139.43	363.64	7.02	-132.41
CC1=CSC(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300010963925	1	39	-2.0	-139.14	335.64	4.15	-134.99
CN1N=NN=C1S(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-]	REAL300010963929	1	38	-2.0	-115.85	318.47	2.54	-113.31
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300010963944	0	43	-2.0	-101.20	358.05	6.96	-94.24
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010963946	1	43	-2.0	-146.56	356.59	5.66	-140.90
O=C([O-])[C@@H](CC1CCCCC1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010963949	0	41	-2.0	-113.85	363.01	6.59	-107.26
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010963980	1	37	-2.0	-129.09	333.50	5.25	-123.84
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010964007	1	40	-2.0	-126.42	352.97	5.74	-120.68
O=C([O-])[C@@H](CC1CCCCC1)NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010964029	0	41	-2.0	-116.84	336.81	5.61	-111.23
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010964034	1	42	-2.0	-126.70	370.13	5.80	-120.90
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(Cl)O1	REAL300010964035	1	37	-2.0	-128.42	328.86	5.13	-123.29
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010964037	1	42	-2.0	-126.70	370.13	5.80	-120.90
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010964040	1	40	-2.0	-127.92	354.67	7.20	-120.72
CC1=NC(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010964052	1	49	-2.0	-149.20	399.82	5.64	-143.56
CCN1N=CC(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])=N1	REAL300010964066	1	42	-2.0	-132.45	347.87	3.47	-128.98
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300010964076	1	46	-2.0	-102.99	390.40	3.87	-99.12
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=N[N-]1	REAL300010964076	1	46	-2.0	-102.96	390.44	3.87	-99.09
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300010964078	0	43	-2.0	-122.92	381.73	5.89	-117.03
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])C(F)=C1	REAL300010964081	1	44	-2.0	-141.97	365.14	6.16	-135.81
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010964085	1	37	-2.0	-123.84	352.22	6.71	-117.13
N#CC1=C(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])OC=C1	REAL300010964091	1	38	-2.0	-135.45	331.30	5.05	-130.40
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-]	REAL300010964092	1	43	-2.0	-155.33	361.40	3.87	-151.46
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010964117	0	38	-2.0	-134.98	340.16	4.42	-130.56
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=NNN=C1	REAL300010964120	1	36	-2.0	-129.05	304.92	1.45	-127.60
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010964121	1	39	-2.0	-144.42	337.95	5.15	-139.27
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010964155	1	42	-2.0	-147.75	354.34	5.81	-141.94
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-]	REAL300010964172	1	46	-2.0	-156.19	373.03	8.16	-148.03
O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010964177	0	36	-2.0	-122.42	333.03	4.92	-117.50
CC1=CC=C([O-])C(S(=O)(=O)N[C@H](CC2CCCCC2)C(=O)[O-])=C1	REAL300010964199	1	44	-2.0	-125.64	351.28	6.25	-119.39
CN1C=NC(S(=O)(=O)[N-]CC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1Cl	REAL300010964243	1	43	-2.0	-102.99	384.54	6.64	-96.35
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)O1	REAL300010964267	1	46	-2.0	-92.03	407.25	5.86	-86.17
COC(=O)C1=COC(S(=O)(=O)[N-]CC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1	REAL300010964341	1	46	-2.0	-95.83	406.96	5.81	-90.02
CC(C)(CC1=CC=C(C[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010964380	1	44	-2.0	-102.87	382.87	7.84	-95.03
CC(C)(CC1=CC=C(C[N-]S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C=C1)C(=O)[O-]	REAL300010964443	1	42	-2.0	-88.48	388.87	6.82	-81.66
CC1=C(S(=O)(=O)[N-]CC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)C(N)=NO1	REAL300010964486	1	44	-2.0	-88.61	374.08	4.47	-84.14
COC(=O)C1=C(S(=O)(=O)[N-]CC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)OC=C1	REAL300010964584	0	46	-2.0	-104.44	403.34	6.09	-98.35
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300010964586	0	45	-2.0	-106.24	394.75	6.06	-100.18
CC(C)(CC1=CC=C(CNS(=O)(=O)C2=NC=C[N-]2)C=C1)C(=O)[O-]	REAL300010964588	0	40	-2.0	-88.46	348.00	3.56	-84.90
CC1=NSC(S(=O)(=O)[N-]CC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1	REAL300010964590	1	42	-2.0	-90.67	375.56	5.35	-85.32
CC(C)(CC1=CC=C(C[N-]S(=O)(=O)N=S2(=O)CCCC2)C=C1)C(=O)[O-]	REAL300010964600	1	47	-2.0	-120.82	398.83	4.35	-116.47
CCS(=O)(CC)=NS(=O)(=O)[N-]CC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300010964604	1	49	-2.0	-119.82	412.11	4.67	-115.15
CC(C)(CC1=CC=C(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1)C(=O)[O-]	REAL300010964611	0	44	-2.0	-86.31	374.18	6.13	-80.18
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300010964612	1	46	-2.0	-108.12	398.05	4.74	-103.38
CC(C)(CC1=CC=C(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1)C(=O)[O-]	REAL300010964632	0	51	-2.0	-98.68	414.44	7.12	-91.56
CC1=CSC(S(=O)(=O)[N-]CC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300010964641	1	42	-2.0	-97.30	376.15	4.61	-92.69
CN1N=NN=C1S(=O)(=O)[N-]CC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300010964645	1	41	-2.0	-87.85	357.03	3.12	-84.73
CC(C)(CC1=CC=C(CNS(=O)(=O)C2=CC(F)=CC=C2[O-])C=C1)C(=O)[O-]	REAL300010964695	0	44	-2.0	-86.31	374.18	6.13	-80.18
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=N1	REAL300010964717	1	45	-2.0	-95.12	387.78	3.92	-91.20
CC(C)(CC1=CC=C(C[N-]S(=O)(=O)C2=C(C#N)C=CO2)C=C1)C(=O)[O-]	REAL300010964728	1	41	-2.0	-96.37	368.93	5.54	-90.83
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=CC=C(CC(C)(C)C(=O)[O-])C=C1	REAL300010964729	1	46	-2.0	-108.12	398.05	4.74	-103.38
CC(C)(CC1=CC=C(C[N-]S(=O)(=O)C2=C(C#N)OC=C2)C=C1)C(=O)[O-]	REAL300010964741	1	41	-2.0	-96.28	370.59	5.48	-90.80
CC1=CC=C([O-])C(S(=O)(=O)NCC2=CC=C(CC(C)(C)C(=O)[O-])C=C2)=C1	REAL300010964799	1	47	-2.0	-92.01	389.19	6.73	-85.28
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C2	REAL300010964823	1	29	-2.0	-113.54	288.91	4.06	-109.48
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C2	REAL300010964828	0	29	-2.0	-123.66	279.67	4.15	-119.51
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C2	REAL300010964851	1	29	-2.0	-115.45	283.05	4.01	-111.44
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C2	REAL300010964853	1	26	-2.0	-106.66	293.81	4.03	-102.63
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C2	REAL300010964858	1	29	-2.0	-108.06	311.49	5.69	-102.37
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C2	REAL300010964862	0	29	-2.0	-108.32	303.32	4.61	-103.71
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C2	REAL300010964864	1	29	-2.0	-108.26	303.64	4.61	-103.65
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C2	REAL300010964865	1	29	-2.0	-107.20	289.34	4.06	-103.14
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C2	REAL300010964875	0	29	-2.0	-113.15	286.07	4.22	-108.93
CN1C=NC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300010964890	1	29	-2.0	-121.46	288.64	3.45	-118.01
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010964925	1	33	-2.0	-118.52	308.49	4.36	-114.16
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	REAL300010964941	0	36	-2.0	-120.09	348.90	3.68	-116.41
COC(=O)C1=CC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Br)O1	REAL300010964946	1	32	-2.0	-104.47	330.50	3.29	-101.18
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300010964960	1	32	-2.0	-111.24	310.39	2.66	-108.58
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C2	REAL300010964963	0	31	-2.0	-128.04	296.88	5.61	-122.43
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C2	REAL300010964966	1	29	-2.0	-118.02	290.48	4.82	-113.20
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	REAL300010964975	0	31	-2.0	-118.48	320.60	6.56	-111.92
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)O1	REAL300010967003	1	34	-2.0	-119.69	319.49	2.83	-116.86
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CC1	REAL300010967016	1	27	-2.0	-120.18	284.02	2.13	-118.05
COC(=O)C1=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)OC=C1	REAL300010967020	0	31	-2.0	-129.35	294.18	2.91	-126.44
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=N1	REAL300010967024	0	30	-2.0	-135.79	290.44	2.36	-133.43
O=C([O-])C1(C[N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CC1	REAL300010967031	1	28	-2.0	-118.11	275.50	0.92	-117.19
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)NC=N2)CC1	REAL300010967048	1	25	-2.0	-127.49	261.40	1.46	-126.03
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CC1	REAL300010967050	1	27	-2.0	-112.07	287.09	2.67	-109.40
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CC1	REAL300010967051	1	27	-2.0	-119.98	279.43	2.05	-117.93
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)CC1	REAL300010967065	0	31	-2.0	-126.81	312.20	4.58	-122.23
CN1N=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C1C(F)(F)F	REAL300010967066	1	31	-2.0	-114.26	292.80	2.02	-112.24
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010967078	1	31	-2.0	-136.22	293.06	1.11	-135.11
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010967081	1	37	-2.0	-153.04	325.60	1.49	-151.55
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C1F	REAL300010967096	1	32	-2.0	-130.67	311.00	3.69	-126.98
O=C([O-])C1CCN(S(=O)(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300010967115	0	36	-2.0	-104.70	305.69	3.33	-101.37
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=CO2)CC1	REAL300010967124	0	25	-2.0	-120.10	262.72	2.18	-117.92
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010967134	1	32	-2.0	-126.67	298.47	4.13	-122.54
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C1	REAL300010967153	0	31	-2.0	-111.80	319.68	2.99	-108.81
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010967157	0	31	-2.0	-101.05	288.29	4.19	-96.86
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CC1	REAL300010967160	1	31	-2.0	-131.37	291.48	2.67	-128.70
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010967162	0	29	-2.0	-95.25	292.90	3.55	-91.70
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010967185	1	25	-2.0	-114.51	265.43	2.33	-112.18
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CC1	REAL300010967209	1	28	-2.0	-112.31	284.90	2.82	-109.49
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)CC1	REAL300010967222	1	31	-2.0	-124.98	318.10	5.58	-119.40
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)CC1	REAL300010967226	1	33	-2.0	-125.01	324.82	4.97	-120.04
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)CC1	REAL300010967229	1	34	-2.0	-118.72	334.45	5.05	-113.67
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CC1	REAL300010967235	0	28	-2.0	-120.98	291.86	4.36	-116.62
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010967236	1	30	-2.0	-118.56	303.06	2.73	-115.83
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010967239	1	30	-2.0	-118.56	303.06	2.73	-115.83
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010967242	1	32	-2.0	-131.84	313.91	4.46	-127.38
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CC1	REAL300010967245	1	28	-2.0	-118.81	289.59	4.06	-114.75
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300010967253	1	37	-2.0	-130.35	332.22	2.57	-127.78
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010967269	1	34	-2.0	-97.70	316.83	1.45	-96.25
CCOC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=N[N-]1	REAL300010967269	1	34	-2.0	-97.77	316.88	1.46	-96.31
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C1	REAL300010967271	0	31	-2.0	-110.99	315.60	2.88	-108.11
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010967274	1	32	-2.0	-125.47	312.66	4.70	-120.77
COC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)C(F)=C1	REAL300010967276	1	32	-2.0	-126.15	300.03	3.04	-123.11
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CC1	REAL300010967281	1	25	-2.0	-109.60	286.12	3.71	-105.89
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(I)C=CS2)CC1	REAL300010967287	1	25	-2.0	-116.91	280.55	3.49	-113.42
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010967290	1	31	-2.0	-136.22	293.06	1.11	-135.11
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=C(Br)C=N2)CC1	REAL300010967317	0	26	-2.0	-120.75	274.06	1.43	-119.32
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010967324	1	37	-2.0	-95.53	340.70	1.67	-93.86
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CC1	REAL300010967328	0	27	-2.0	-126.13	282.94	2.31	-123.82
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CC1	REAL300010967350	1	30	-2.0	-130.08	287.31	2.76	-127.32
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)CC1	REAL300010967354	0	27	-2.0	-114.93	289.08	3.02	-111.91
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010967365	1	34	-2.0	-118.24	327.97	5.62	-112.62
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010967367	1	34	-2.0	-138.99	311.38	5.17	-133.82
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Br)C=NS2)CC1	REAL300010967373	0	24	-2.0	-110.48	267.10	1.82	-108.66
O=C([O-])C1(CNS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010967381	0	33	-2.0	-109.91	310.54	3.71	-106.20
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC12CCC2	REAL300010967885	0	40	-2.0	-101.44	359.12	4.79	-96.65
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC12CCC2	REAL300010967885	1	40	-2.0	-101.42	359.17	4.78	-96.64
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300010968072	1	38	-2.0	-99.88	343.89	2.15	-97.73
O=C([O-])C1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC12CCC2	REAL300010968136	0	39	-2.0	-102.90	342.49	5.46	-97.44
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC12CCC2	REAL300010968344	0	36	-2.0	-104.03	310.17	4.52	-99.51
O=C([O-])C1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC12CCC2	REAL300010968384	0	43	-2.0	-108.01	349.21	5.55	-102.46
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300010968432	0	38	-2.0	-97.12	332.06	6.31	-90.81
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCC2	REAL300010968437	0	36	-2.0	-107.35	336.70	5.48	-101.87
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CC12CCC2	REAL300010968519	0	36	-2.0	-104.03	310.17	4.52	-99.51
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300010968567	1	41	-2.0	-103.26	359.04	3.45	-99.81
CCOC(=O)C1=CC(S(=O)(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=N[N-]1	REAL300010968567	1	41	-2.0	-103.14	359.15	3.45	-99.69
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CC(C(=O)[O-])C3(CCC3)C2)S1	REAL300010968623	1	44	-2.0	-95.60	383.06	3.63	-91.97
CC1=CC=C([O-])C(S(=O)(=O)N2CC(C(=O)[O-])C3(CCC3)C2)=C1	REAL300010968701	1	39	-2.0	-112.67	325.19	5.13	-107.54
O=C([O-])C1CN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC12CCC2	REAL300010968702	0	40	-2.0	-99.36	350.35	5.76	-93.60
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)S1	REAL300010969223	1	34	-2.0	-87.03	334.24	1.20	-85.83
O=C([O-])C1(C(F)(F)F)CCN(S(=O)(=O)C2=NC=C[N-]2)C1	REAL300010969381	0	28	-2.0	-88.86	270.62	0.94	-87.92
O=C([O-])C1(C(F)(F)F)CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010969427	0	32	-2.0	-95.90	302.50	3.51	-92.39
O=C([O-])C1CCN(S(=O)(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300010969461	0	39	-2.0	-95.47	341.04	4.58	-90.89
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300010969500	0	34	-2.0	-96.90	324.48	5.39	-91.51
O=C([O-])C1(C(F)(F)F)CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010969570	0	32	-2.0	-95.90	302.50	3.51	-92.39
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300010969610	1	37	-2.0	-97.00	348.72	2.54	-94.46
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N[N-]1	REAL300010969610	1	37	-2.0	-96.95	348.82	2.54	-94.41
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300010969722	1	35	-2.0	-103.60	317.54	4.12	-99.48
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C([N-]S(C)(=O)=O)C=C2F)CCO1	REAL300010970142	1	40	-2.0	-94.51	351.16	0.74	-93.77
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCO1	REAL300010970238	0	37	-2.0	-103.31	339.26	3.18	-100.13
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCO1	REAL300010970238	1	37	-2.0	-103.23	339.32	3.18	-100.05
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300010970436	1	35	-2.0	-95.34	322.78	0.48	-94.86
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCO1	REAL300010970501	0	36	-2.0	-89.46	319.58	3.63	-85.83
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CCO1	REAL300010970726	0	33	-2.0	-90.69	287.26	2.70	-87.99
CC1(C(=O)[O-])CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1	REAL300010970770	0	40	-2.0	-104.35	328.54	3.84	-100.51
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)CCO1	REAL300010970820	0	35	-2.0	-104.23	309.35	4.50	-99.73
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCO1	REAL300010970825	0	33	-2.0	-88.07	313.63	3.68	-84.39
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CCO1	REAL300010970911	0	33	-2.0	-90.69	287.26	2.70	-87.99
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300010970963	1	38	-2.0	-95.89	333.49	1.91	-93.98
CCOC(=O)C1=CC(S(=O)(=O)N2CCOC(C)(C(=O)[O-])C2)=N[N-]1	REAL300010970963	1	38	-2.0	-95.88	333.66	1.90	-93.98
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCOC(C)(C(=O)[O-])C2)S1	REAL300010971026	1	41	-2.0	-96.26	362.34	1.96	-94.30
CC1=CC=C([O-])C(S(=O)(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300010971104	1	36	-2.0	-96.03	302.30	3.30	-92.73
CC1(C(=O)[O-])CN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CCO1	REAL300010971105	0	37	-2.0	-106.43	329.08	4.00	-102.43
COC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CN=C([N-]C(C)=O)S2)C1	REAL300010971781	1	38	-2.0	-93.72	347.81	0.35	-93.37
COC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010971838	0	39	-2.0	-90.98	347.72	3.57	-87.41
COC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010972043	0	36	-2.0	-104.10	313.44	2.66	-101.44
COC1CC(C(=O)[O-])CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010972081	0	43	-2.0	-104.04	351.25	3.79	-100.25
COC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300010972127	0	38	-2.0	-93.77	335.89	4.43	-89.34
COC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010972132	0	36	-2.0	-109.22	338.33	3.76	-105.46
COC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010972213	0	36	-2.0	-104.10	313.44	2.66	-101.44
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CC(OC)CC(C(=O)[O-])C2)=C1	REAL300010972262	1	41	-2.0	-102.59	361.87	1.72	-100.87
CCOC(=O)C1=CC(S(=O)(=O)N2CC(OC)CC(C(=O)[O-])C2)=N[N-]1	REAL300010972262	1	41	-2.0	-102.54	361.97	1.71	-100.83
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CC(OC)CC(C(=O)[O-])C2)S1	REAL300010972318	1	44	-2.0	-95.72	384.01	1.74	-93.98
COC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC(C)=CC=C2[O-])C1	REAL300010972396	1	39	-2.0	-98.50	330.08	3.23	-95.27
COC1CC(C(=O)[O-])CN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010972397	0	40	-2.0	-114.53	343.67	3.83	-110.70
O=C([O-])CN1C(=O)NC2(CCN(S(=O)(=O)C3=NC=C[N-]3)CC2)C1=O	REAL300010972610	0	37	-2.0	-92.80	330.01	-0.34	-93.14
CC1=CC=C([O-])C(S(=O)(=O)N2CCC3(CC2)NC(=O)N(CC(=O)[O-])C3=O)=C1	REAL300010972719	1	44	-2.0	-98.97	375.79	2.79	-96.18
N#CCCC([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010972743	1	28	-2.0	-120.14	287.67	4.04	-116.10
N#CCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010972748	0	28	-2.0	-133.48	278.13	4.11	-129.37
N#CCCC([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010972771	1	28	-2.0	-124.49	281.51	3.99	-120.50
N#CCCC([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010972773	1	25	-2.0	-107.18	297.41	3.40	-103.78
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010972779	1	28	-2.0	-111.98	315.05	5.07	-106.91
N#CCCC([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010972784	0	28	-2.0	-116.41	302.10	4.58	-111.83
N#CCCC([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010972786	1	28	-2.0	-114.09	300.17	4.64	-109.45
N#CCCC([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010972787	1	28	-2.0	-114.97	287.80	4.03	-110.94
N#CCCC([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010972800	0	28	-2.0	-114.33	289.40	3.62	-110.71
CN1C=NC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1Cl	REAL300010972815	1	28	-2.0	-126.35	292.89	2.76	-123.59
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010972852	1	32	-2.0	-128.10	307.26	4.31	-123.79
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])C(F)=C1Cl	REAL300010972871	0	35	-2.0	-123.48	352.41	3.07	-120.41
COC(=O)C1=CC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C(Br)O1	REAL300010972876	1	31	-2.0	-115.48	328.97	3.26	-112.22
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])O1	REAL300010972890	1	31	-2.0	-114.16	307.21	2.72	-111.44
N#CCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010972893	0	30	-2.0	-131.57	298.62	5.01	-126.56
N#CCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010972896	1	28	-2.0	-125.90	293.74	4.22	-121.68
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010972905	0	30	-2.0	-119.87	316.41	6.54	-113.33
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010972934	1	30	-2.0	-129.71	308.54	5.50	-124.21
CN1C=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])C(=O)N(C)C1=O	REAL300010972983	1	34	-2.0	-117.50	320.68	2.28	-115.22
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010972997	1	34	-2.0	-138.48	322.46	2.21	-136.27
N#CCCC([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010974008	0	26	-2.0	-121.24	280.69	1.73	-119.51
N#CCCC([N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010974011	1	27	-2.0	-129.12	275.34	2.70	-126.42
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S1	REAL300010974015	1	37	-2.0	-97.78	354.93	1.40	-96.38
N#CCCC([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010974019	0	27	-2.0	-119.61	296.26	2.02	-117.59
N#CCCC([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010974044	1	30	-2.0	-124.47	299.85	2.54	-121.93
N#CCCC([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010974050	0	27	-2.0	-114.21	295.71	3.26	-110.95
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010974062	1	34	-2.0	-114.62	338.01	5.52	-109.10
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010974064	1	34	-2.0	-133.03	326.16	4.90	-128.13
N#CCCC([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010974070	0	24	-2.0	-112.21	273.53	2.29	-109.92
N#CCCC(NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010974080	0	33	-2.0	-106.99	324.76	3.57	-103.42
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C[C@H]1C1CC1	REAL300010974584	0	40	-2.0	-102.09	365.30	5.19	-96.90
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C[C@H]1C1CC1	REAL300010974584	1	40	-2.0	-102.01	365.36	5.18	-96.83
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1	REAL300010974771	1	38	-2.0	-96.18	348.79	2.51	-93.67
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C[C@H]1C1CC1	REAL300010974835	0	39	-2.0	-97.59	349.37	5.82	-91.77
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300010976073	1	31	-2.0	-93.34	300.29	0.52	-92.82
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010976129	0	32	-2.0	-90.42	300.51	3.75	-86.67
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(F)=C1	REAL300010976177	1	42	-2.0	-108.50	374.00	2.56	-105.94
O=C([O-])C1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010976379	0	36	-2.0	-111.02	305.92	3.85	-107.17
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010976421	0	31	-2.0	-100.03	290.15	4.68	-95.35
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010976426	0	29	-2.0	-104.35	293.65	3.83	-100.52
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010976533	1	34	-2.0	-99.31	315.83	1.82	-97.49
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=N[N-]1	REAL300010976533	1	34	-2.0	-99.29	315.93	1.82	-97.47
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300010976588	1	37	-2.0	-93.32	339.50	1.98	-91.34
O=C([O-])C1CCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010976645	0	33	-2.0	-98.99	307.60	4.11	-94.88
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010976671	1	33	-2.0	-123.52	307.88	5.14	-118.38
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010976676	0	33	-2.0	-144.64	300.25	5.16	-139.48
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010976699	1	33	-2.0	-134.88	303.64	5.02	-129.86
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010976701	1	30	-2.0	-123.85	312.66	5.11	-118.74
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010976707	1	33	-2.0	-122.73	330.17	6.73	-116.00
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010976712	0	33	-2.0	-124.18	322.29	5.68	-118.50
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010976714	1	33	-2.0	-124.91	324.27	5.62	-119.29
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010976715	1	33	-2.0	-122.79	308.04	5.14	-117.65
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010976728	0	33	-2.0	-130.46	304.73	5.29	-125.17
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010976743	1	33	-2.0	-142.20	308.36	4.48	-137.72
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1OC)C(=O)[O-]	REAL300010976780	1	37	-2.0	-134.30	327.47	5.21	-129.09
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(NC(C)=O)C(Cl)=C1F)C(=O)[O-]	REAL300010976798	0	40	-2.0	-140.49	369.57	4.69	-135.80
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Br)OC(C(=O)OC)=C1)C(=O)[O-]	REAL300010976803	1	36	-2.0	-122.40	349.12	4.37	-118.03
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)OC)O1)C(=O)[O-]	REAL300010976817	1	36	-2.0	-124.42	331.29	3.70	-120.72
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010976820	0	35	-2.0	-149.36	317.76	6.61	-142.75
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010976823	1	33	-2.0	-136.10	311.36	5.79	-130.31
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010976832	0	35	-2.0	-131.67	337.87	7.43	-124.24
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010976861	1	35	-2.0	-140.46	323.85	7.14	-133.32
CCCC[C@@H]([N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010976911	1	39	-2.0	-138.35	336.78	3.78	-134.57
CCCC[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OCC)C(=O)[O-]	REAL300010976925	1	39	-2.0	-151.34	345.90	3.17	-148.17
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010976953	1	35	-2.0	-137.99	326.68	6.98	-131.01
CCCC[C@@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010976987	1	36	-2.0	-135.55	321.51	5.30	-130.25
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=CO1)C(=O)[O-]	REAL300010976999	1	36	-2.0	-131.54	331.64	3.65	-127.89
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C2	REAL300010980029	1	29	-2.0	-102.09	312.77	5.02	-97.07
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C2	REAL300010980035	1	29	-2.0	-100.87	306.32	5.01	-95.86
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C2	REAL300010980051	0	29	-2.0	-106.02	291.93	4.28	-101.74
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C2	REAL300010980064	1	31	-2.0	-98.87	324.67	5.49	-93.38
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C2	REAL300010980085	0	31	-2.0	-100.59	320.76	5.11	-95.48
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C2	REAL300010980086	1	31	-2.0	-96.53	317.31	4.99	-91.54
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C2	REAL300010980087	1	29	-2.0	-101.39	300.90	5.26	-96.13
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010980093	1	32	-2.0	-95.34	315.91	0.53	-94.81
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C2	REAL300010980114	0	29	-2.0	-110.58	293.19	4.75	-105.83
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C2	REAL300010980122	1	29	-2.0	-108.59	293.10	4.46	-104.13
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C=C1Cl	REAL300010980124	1	38	-2.0	-103.07	365.80	5.91	-97.16
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C2	REAL300010980125	1	31	-2.0	-104.15	318.40	5.72	-98.43
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010980127	0	37	-2.0	-107.82	338.25	5.37	-102.45
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010980136	1	35	-2.0	-111.64	348.26	6.47	-105.17
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Br)N1C	REAL300010980150	1	32	-2.0	-117.23	312.35	3.35	-113.88
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C2	REAL300010980154	0	33	-2.0	-92.00	319.62	3.72	-88.28
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300010980156	1	30	-2.0	-100.02	317.12	4.84	-95.18
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C(F)(F)F)=N1	REAL300010980187	1	32	-2.0	-107.17	310.83	2.77	-104.40
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C2	REAL300010980188	1	31	-2.0	-103.44	312.23	6.01	-97.43
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC3=CC(F)=CC=C3O1)C2	REAL300010980201	1	32	-2.0	-105.04	307.02	4.35	-100.69
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)C3=CC=CC=C3S1)C2	REAL300010980202	1	32	-2.0	-111.09	322.15	5.93	-105.16
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C2	REAL300010980208	1	26	-2.0	-107.56	275.61	3.50	-104.06
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010980248	1	35	-2.0	-109.41	346.02	5.06	-104.35
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C2	REAL300010980279	1	28	-2.0	-113.70	283.70	2.67	-111.03
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010980288	1	35	-2.0	-109.04	335.70	4.61	-104.43
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300010980300	1	35	-2.0	-103.37	328.61	3.26	-100.11
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C2	REAL300010980311	1	28	-2.0	-103.37	293.11	2.56	-100.81
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)OC=C1	REAL300010980315	0	32	-2.0	-116.48	304.55	3.25	-113.23
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300010980319	0	31	-2.0	-120.59	298.27	2.87	-117.72
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C2	REAL300010980327	1	29	-2.0	-104.29	286.55	1.40	-102.89
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C2	REAL300010980346	1	26	-2.0	-113.05	270.51	1.89	-111.16
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C2	REAL300010980348	1	28	-2.0	-101.13	296.20	3.10	-98.03
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C2	REAL300010980349	1	28	-2.0	-103.18	288.51	2.48	-100.70
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C2	REAL300010980350	1	28	-2.0	-102.40	278.06	1.99	-100.41
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Br)C3=CC=CC=C3O1)C2	REAL300010980366	0	32	-2.0	-110.91	322.33	4.85	-106.06
CN1N=CC(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C(F)(F)F	REAL300010980367	1	32	-2.0	-103.84	305.18	2.52	-101.32
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C2	REAL300010980377	0	30	-2.0	-94.58	286.79	2.77	-91.81
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010980379	1	32	-2.0	-123.30	303.45	1.46	-121.84
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010980399	1	33	-2.0	-114.09	319.76	4.12	-109.97
O=C([O-])C1CCN(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010980422	0	37	-2.0	-106.83	319.55	3.83	-103.00
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C2	REAL300010980432	0	26	-2.0	-106.08	271.85	2.61	-103.47
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010980444	1	33	-2.0	-111.13	307.28	4.54	-106.59
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010980467	0	32	-2.0	-99.67	329.81	3.27	-96.40
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010980472	0	32	-2.0	-102.31	308.10	4.80	-97.51
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC3=C1OCO3)C2	REAL300010980475	1	32	-2.0	-116.21	300.30	3.10	-113.11
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300010980478	0	30	-2.0	-92.53	312.77	3.75	-88.78
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C2	REAL300010980509	1	26	-2.0	-102.43	275.22	2.60	-99.83
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C2	REAL300010980535	1	29	-2.0	-100.86	295.00	3.10	-97.76
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Cl)C3=CC=CC=C3N=C1Cl)C2	REAL300010980552	1	34	-2.0	-110.18	333.93	5.41	-104.77
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C2	REAL300010980556	0	30	-2.0	-94.58	286.79	2.77	-91.81
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(C3=CC=CC=C3)N=C(Cl)S1)C2	REAL300010980557	1	35	-2.0	-107.04	348.10	5.12	-101.92
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C2	REAL300010980563	0	29	-2.0	-107.36	300.68	4.79	-102.57
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C2	REAL300010980564	1	31	-2.0	-101.66	312.14	3.16	-98.50
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C2	REAL300010980567	1	31	-2.0	-101.66	312.14	3.16	-98.50
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010980569	1	33	-2.0	-115.26	322.68	4.89	-110.37
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C2	REAL300010980572	1	29	-2.0	-102.77	298.69	4.49	-98.28
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C2=CC=CC=C2)O1	REAL300010980584	1	38	-2.0	-117.01	345.17	3.06	-113.95
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010980604	1	35	-2.0	-95.26	330.91	1.82	-93.44
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N[N-]1	REAL300010980604	1	35	-2.0	-95.23	331.02	1.83	-93.40
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010980606	0	32	-2.0	-99.13	325.74	3.17	-95.96
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010980609	1	33	-2.0	-110.19	321.48	5.12	-105.07
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010980611	1	33	-2.0	-111.95	308.87	3.45	-108.50
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C2	REAL300010980616	1	26	-2.0	-98.31	296.20	3.99	-94.32
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C2	REAL300010980623	1	26	-2.0	-104.53	284.89	4.12	-100.41
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010980626	1	32	-2.0	-123.30	303.45	1.46	-121.84
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C2	REAL300010980656	0	27	-2.0	-107.52	283.86	1.70	-105.82
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Cl)C2	REAL300010980660	1	28	-2.0	-114.49	280.04	2.53	-111.96
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010980664	1	38	-2.0	-96.38	352.84	2.09	-94.29
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C2	REAL300010980668	0	28	-2.0	-111.99	292.07	2.73	-109.26
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C2	REAL300010980692	1	31	-2.0	-116.10	296.43	3.19	-112.91
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C2	REAL300010980697	0	28	-2.0	-105.32	299.20	3.29	-102.03
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010980709	1	35	-2.0	-108.28	340.72	5.99	-102.29
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010980711	1	35	-2.0	-125.07	320.18	5.56	-119.51
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C2	REAL300010980717	0	25	-2.0	-99.55	278.27	2.15	-97.40
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C2	REAL300010980727	0	34	-2.0	-96.29	319.88	4.16	-92.13
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010980748	1	30	-2.0	-102.97	288.10	3.72	-99.25
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010980774	1	27	-2.0	-98.19	292.88	3.68	-94.51
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010980779	1	30	-2.0	-99.31	310.39	5.35	-93.96
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010980783	0	30	-2.0	-99.02	302.53	4.26	-94.76
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010980785	1	30	-2.0	-98.39	302.53	4.26	-94.13
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010980786	1	30	-2.0	-97.66	288.23	3.72	-93.94
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010980795	0	30	-2.0	-103.48	284.96	3.88	-99.60
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010980843	1	34	-2.0	-107.36	307.69	4.01	-103.35
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])C(F)=C1Cl	REAL300010980857	0	37	-2.0	-112.75	348.14	3.32	-109.43
COC(=O)C1=CC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C(Br)O1	REAL300010980862	1	33	-2.0	-97.30	329.38	2.94	-94.36
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])O1	REAL300010980876	1	33	-2.0	-101.84	309.58	2.33	-99.51
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010980878	0	32	-2.0	-120.36	296.03	5.24	-115.12
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010980881	1	30	-2.0	-109.83	289.67	4.48	-105.35
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010980890	0	32	-2.0	-107.15	320.79	6.27	-100.88
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010980922	1	32	-2.0	-116.91	303.73	5.77	-111.14
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010980974	1	36	-2.0	-112.45	316.62	2.55	-109.90
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010980987	1	36	-2.0	-120.51	324.16	2.05	-118.46
CCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010983008	0	27	-2.0	-130.71	274.36	2.72	-127.99
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010983019	1	34	-2.0	-137.21	310.21	4.76	-132.45
CCC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010983039	0	33	-2.0	-120.49	328.88	3.51	-116.98
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010983044	0	33	-2.0	-102.87	309.61	4.43	-98.44
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010983047	1	33	-2.0	-141.25	297.75	3.25	-138.00
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010983049	0	31	-2.0	-104.41	314.48	3.49	-100.92
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010983077	1	27	-2.0	-124.45	274.62	2.85	-121.60
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010983101	1	30	-2.0	-120.76	292.18	3.40	-117.36
CCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010983114	1	33	-2.0	-133.47	325.02	6.26	-127.21
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010983118	1	35	-2.0	-133.19	333.01	5.60	-127.59
CCC[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010983122	1	36	-2.0	-129.72	345.19	5.41	-124.31
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010983128	0	30	-2.0	-131.23	298.14	5.07	-126.16
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010983129	1	32	-2.0	-121.13	309.33	3.45	-117.68
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010983132	1	32	-2.0	-121.13	309.33	3.45	-117.68
CCC[C@@H]([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010983135	1	34	-2.0	-140.85	322.09	4.93	-135.92
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010983138	1	30	-2.0	-124.53	297.77	4.72	-119.81
CCC[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010983147	1	39	-2.0	-146.82	344.46	3.16	-143.66
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=N[N-]1)C(=O)[O-]	REAL300010983165	1	36	-2.0	-100.36	331.31	1.59	-98.77
CCC[C@@H](NS(=O)(=O)C1=N[N-]C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010983165	1	36	-2.0	-100.44	331.54	1.59	-98.85
CCC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010983167	0	33	-2.0	-119.69	324.81	3.40	-116.29
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010983170	1	34	-2.0	-136.90	324.42	5.34	-131.56
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010983172	1	34	-2.0	-138.42	308.23	3.68	-134.74
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010983177	1	27	-2.0	-120.76	295.32	4.22	-116.54
CCC[C@@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010983183	1	27	-2.0	-129.55	288.76	4.16	-125.39
CCC[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010983186	1	33	-2.0	-150.00	302.53	1.47	-148.53
CCC[C@@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010983213	0	28	-2.0	-131.54	283.27	1.95	-129.59
CCC[C@@H](NS(=O)(=O)C1=C(C)N=C([N-]C(=O)CC)S1)C(=O)[O-]	REAL300010983220	1	39	-2.0	-98.95	355.54	1.75	-97.20
CCC[C@@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010983224	0	29	-2.0	-137.87	291.15	2.95	-134.92
CCC[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010983247	1	32	-2.0	-141.97	295.52	3.36	-138.61
CCC[C@@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010983251	0	29	-2.0	-124.96	298.30	3.47	-121.49
CCC[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010983263	1	36	-2.0	-133.75	338.00	6.24	-127.51
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010983265	1	36	-2.0	-153.35	319.59	5.78	-147.57
CCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010983271	0	26	-2.0	-116.67	272.25	2.58	-114.09
CCC[C@@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010983279	0	35	-2.0	-107.00	323.77	3.78	-103.22
CC1=C(C)C(=O)[N-]C(C2=CC=C(SCCC(=O)[O-])N=C2)=N1	REAL300010983370	1	34	-2.0	-92.92	311.12	5.70	-87.22
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCOC(C(=O)[O-])C3)N=C2)=N1	REAL300010983743	1	40	-2.0	-95.66	334.52	3.73	-91.93
CC1=CC=C(CC(SC2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C(=O)[O-])C=C1	REAL300010984076	1	47	-2.0	-104.55	407.92	10.10	-94.45
CCCCC(SC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300010984514	1	43	-2.0	-102.23	370.63	8.03	-94.20
CCC(SC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300010984789	1	37	-2.0	-100.85	325.83	6.73	-94.12
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])CC3)N=C2)=N1	REAL300010984984	1	42	-2.0	-92.59	342.06	5.87	-86.72
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])CC3)N=C2)=N1	REAL300010985209	1	42	-2.0	-92.59	342.06	5.87	-86.72
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@H](C)O[C@H](C(=O)[O-])C3)N=C2)=N1	REAL300010986080	1	43	-2.0	-95.64	354.78	4.96	-90.68
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)N=C2)=N1	REAL300010987769	1	46	-2.0	-96.60	375.10	7.16	-89.44
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC[C@H](CC(=O)[O-])CC(C)C)N=C2)=N1	REAL300010988211	1	50	-2.0	-94.16	396.51	7.36	-86.80
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC[C@H](CC(=O)[O-])CC(C)C)N=C2)=N1	REAL300010988582	1	50	-2.0	-94.16	396.51	7.36	-86.80
O=C([O-])C1=C(NCC2=CC=CC(Br)=C2[O-])C2=CC=CC=C2N=N1	REAL300010991210	1	33	-2.0	-108.21	312.82	6.07	-102.14
O=C([O-])C1=CC(NCC2=CC=CC(Br)=C2[O-])=CC=C1[N+](=O)[O-]	REAL300010991211	1	31	-2.0	-102.42	306.85	7.36	-95.06
CC1=C(C(=O)[O-])SC2=NC=NC(NCC3=CC=CC(Br)=C3[O-])=C12	REAL300010991212	1	33	-2.0	-94.57	318.49	7.65	-86.92
O=C([O-])C1=CC=C(NCC2=CC=CC(Br)=C2[O-])N=N1	REAL300010991215	1	27	-2.0	-94.72	271.08	4.29	-90.43
O=C([O-])C1=COC(NCC2=CC=CC(Br)=C2[O-])=N1	REAL300010991216	1	25	-2.0	-98.05	260.19	1.53	-96.52
O=C([O-])C1=CN=C(NCC2=CC=CC(Br)=C2[O-])N=C1	REAL300010991217	1	27	-2.0	-90.46	272.22	6.03	-84.43
O=C([O-])C1=CC=NC(NCC2=CC=CC(Br)=C2[O-])=C1[N+](=O)[O-]	REAL300010991219	1	30	-2.0	-102.05	303.73	7.07	-94.98
O=C([O-])C1=CN=CN=C1NCC1=CC=CC(Br)=C1[O-]	REAL300010991220	1	27	-2.0	-105.33	267.14	5.72	-99.61
O=C([O-])CC1=CC=C(NCC2=CC=CC(Br)=C2[O-])C([N+](=O)[O-])=C1	REAL300010991221	1	34	-2.0	-96.31	325.50	7.92	-88.39
CC1=C(C(=O)[O-])C(NCC2=CC=CC(Br)=C2[O-])=NC2=CC=CC=C12	REAL300010991222	1	37	-2.0	-122.51	339.33	8.53	-113.98
CC1=CC(NCC2=CC=CC(Br)=C2[O-])=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010991223	1	34	-2.0	-103.68	318.93	7.69	-95.99
O=C([O-])C1=CC=C([N+](=O)[O-])C(NCC2=CC=CC(Br)=C2[O-])=N1	REAL300010991224	1	30	-2.0	-98.17	303.48	6.55	-91.62
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(NCC2=CC=CC(Br)=C2[O-])=N1	REAL300010991225	1	33	-2.0	-102.72	325.36	7.69	-95.03
O=C([O-])C1=CN=C(NCC2=CC=CC(Br)=C2[O-])N=C1	REAL300010991226	1	27	-2.0	-90.46	272.22	6.03	-84.43
O=C([O-])C1=CN=C(NCC2=CC=CC(Br)=C2[O-])C([N+](=O)[O-])=C1	REAL300010991227	1	30	-2.0	-87.37	302.61	6.54	-80.83
O=C([O-])C1=CN=C(NCC2=CC=CC(Br)=C2[O-])S1	REAL300010991228	1	25	-2.0	-93.58	268.09	4.76	-88.82
O=C([O-])C1=CC(NCC2=CC=CC(Br)=C2[O-])=NC=N1	REAL300010991229	1	27	-2.0	-96.41	271.24	5.19	-91.22
O=C([O-])C1=CC=CN=C1NCC1=CC=CC(Br)=C1[O-]	REAL300010991230	1	28	-2.0	-113.91	272.02	5.91	-108.00
O=C([O-])C1=CC=C(NCC2=CC=CC(Br)=C2[O-])N=C1	REAL300010991231	1	28	-2.0	-92.38	275.02	5.34	-87.04
O=C([O-])C1=CC2=NC=NC(NCC3=CC=CC(Br)=C3[O-])=C2C=C1	REAL300010991232	1	33	-2.0	-91.56	315.17	7.69	-83.87
O=C([O-])C1=CC=CC([N+](=O)[O-])=C1NCC1=CC=CC(Br)=C1[O-]	REAL300010991234	1	31	-2.0	-123.63	295.65	8.13	-115.50
O=C([O-])C1=CN=C(NCC2=CC=CC(Br)=C2[O-])C=N1	REAL300010991236	1	27	-2.0	-93.10	270.69	3.49	-89.61
O=C([O-])C1=CN=C(NCC2=CC=CC(Br)=C2[O-])C([N+](=O)[O-])=C1	REAL300010991237	1	30	-2.0	-87.37	302.61	6.54	-80.83
CC1=NC(NCC2=CC=CC(Br)=C2[O-])=NC=C1C(=O)[O-]	REAL300010991238	1	30	-2.0	-90.72	288.68	6.55	-84.17
O=C([O-])C1=CC=C(C(F)(F)F)N=C1NCC1=CC=CC(Br)=C1[O-]	REAL300010991239	1	31	-2.0	-105.39	312.48	7.00	-98.39
O=C([O-])C1=CC=C(NCC2=CC=CC(Br)=C2[O-])N=N1	REAL300010991240	1	27	-2.0	-94.72	271.08	4.29	-90.43
O=C([O-])CC1=CC=C(NCC2=CC=CC(Br)=C2[O-])C([N+](=O)[O-])=C1	REAL300010991241	1	34	-2.0	-96.31	325.50	7.92	-88.39
COC1=CC(CNC2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)=CC=C1C(=O)[O-]	REAL300010993698	1	46	-2.0	-101.65	389.72	6.95	-94.70
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C)CC(=O)[O-])N=C2)=N1	REAL300010994085	1	41	-2.0	-92.30	339.41	5.38	-86.92
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(C(C)(C)C(=O)[O-])C3)N=C2)=N1	REAL300010994343	1	51	-2.0	-93.87	389.28	7.23	-86.64
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])(C4=CC=CC=C4)C3)N=C2)=N1	REAL300010994778	1	49	-2.0	-105.68	396.22	8.29	-97.39
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)CC3=CC=C(OCC(=O)[O-])C=C3)N=C2)=N1	REAL300010995243	1	49	-2.0	-102.49	407.08	9.07	-93.42
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(CC(=O)[O-])C3)N=C2)=N1	REAL300010996018	1	45	-2.0	-92.85	359.27	6.48	-86.37
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(N4C=C(C(=O)[O-])N=N4)CC3)N=C2)=N1	REAL300010996348	1	48	-2.0	-96.16	398.33	5.18	-90.98
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(N4C=C(C(=O)[O-])N=N4)C3)N=C2)=N1	REAL300010996826	1	45	-2.0	-98.76	380.32	4.46	-94.30
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(N4C=C(C(=O)[O-])N=N4)C3)N=C2)=N1	REAL300010997289	1	48	-2.0	-100.70	398.32	5.17	-95.53
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])C3C)N=C2)=N1	REAL300010998112	1	42	-2.0	-92.54	339.94	5.38	-87.16
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC3C3=NC(C(=O)[O-])=CS3)N=C2)=N1	REAL300010998367	1	45	-2.0	-110.02	391.55	5.37	-104.65
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])(C(C)C)C3)N=C2)=N1	REAL300010999976	1	48	-2.0	-99.77	372.80	6.53	-93.24
COCC1(C(=O)[O-])CCCN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C1	REAL300011000775	1	49	-2.0	-102.22	387.13	6.48	-95.74
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCN3C=C(C(=O)[O-])N=N3)N=C2)=N1	REAL300011001190	1	41	-2.0	-101.64	361.84	3.48	-98.16
COC1=CC(C(=O)[O-])=CC=C1CCNC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300011001574	1	49	-2.0	-99.96	412.18	7.02	-92.94
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])(S(C)=O)CC3)N=C2)=N1	REAL300011002047	1	47	-2.0	-111.09	376.68	4.38	-106.71
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(N4C=C(C(=O)[O-])C=N4)CC3)N=C2)=N1	REAL300011002512	1	49	-2.0	-94.84	403.13	6.59	-88.25
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H](C(=O)[O-])[C@@H](C4=CC=CC=C4)C3)N=C2)=N1	REAL300011003246	1	49	-2.0	-97.23	394.89	8.18	-89.05
CC([N-]C1=NC(C2=CC=CC=C2)=NO1)C1=NC=C(C(=O)[O-])S1	REAL300011004190	1	32	-2.0	-97.03	307.41	3.23	-93.80
CC([N-]C1=NC(C2=CC=CC(Cl)=C2)=NO1)C1=NC=C(C(=O)[O-])S1	REAL300011004212	1	32	-2.0	-94.94	324.14	3.74	-91.20
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(C)C3=NC=C(C(=O)[O-])S3)N=C2)=N1	REAL300011004245	1	41	-2.0	-92.20	367.41	4.94	-87.26
COC1=CC=CC(C2=NOC([N-]C(C)C3=NC=C(C(=O)[O-])S3)=N2)=C1	REAL300011004300	1	36	-2.0	-98.06	336.89	2.52	-95.54
CC1=CC=C(C2=NOC([N-]C(C)C3=NC=C(C(=O)[O-])S3)=N2)C=C1	REAL300011004323	1	35	-2.0	-97.01	328.81	3.88	-93.13
COC1=CC=C(C2=NOC([N-]C(C)C3=NC=C(C(=O)[O-])S3)=N2)C=C1	REAL300011004324	1	36	-2.0	-95.28	336.86	2.53	-92.75
O=C([O-])C1=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C2=CC=CC=C2N=N1	REAL300011027951	0	33	-2.0	-104.02	325.37	6.33	-97.69
O=C([O-])C1=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1[N+](=O)[O-]	REAL300011027952	0	31	-2.0	-99.61	319.28	7.73	-91.88
CC1=C(C(=O)[O-])SC2=NC(C)=NC(NCC3=CC(Cl)=CC(Cl)=C3[O-])=C12	REAL300011027953	0	36	-2.0	-91.18	352.77	7.97	-83.21
CC1=C(C(=O)[O-])SC2=NC=NC(NCC3=CC(Cl)=CC(Cl)=C3[O-])=C12	REAL300011027954	0	33	-2.0	-89.83	330.93	8.03	-81.80
NS(=O)(=O)C1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C(C(=O)[O-])=C1	REAL300011027955	0	34	-2.0	-111.00	341.42	1.87	-109.13
COC1=CC=CC2=C(NCC3=CC(Cl)=CC(Cl)=C3[O-])C(C(=O)[O-])=CN=C12	REAL300011027956	0	38	-2.0	-101.53	358.17	6.80	-94.73
O=C([O-])C1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])N=N1	REAL300011027962	0	27	-2.0	-91.23	283.52	4.67	-86.56
O=C([O-])C1=COC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300011027963	0	25	-2.0	-93.55	272.43	1.93	-91.62
O=C([O-])C1=CN=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])N=C1	REAL300011027964	0	27	-2.0	-86.17	284.66	6.40	-79.77
O=C([O-])C1=CC=NC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=C1[N+](=O)[O-]	REAL300011027966	0	30	-2.0	-98.31	316.17	7.43	-90.88
O=C([O-])C1=CN=CN=C1NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011027967	0	27	-2.0	-99.84	279.58	6.08	-93.76
O=C([O-])CC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C([N+](=O)[O-])=C1	REAL300011027968	0	34	-2.0	-88.83	337.74	8.32	-80.51
CC1=C(C(=O)[O-])C(NCC2=CC(Cl)=CC(Cl)=C2[O-])=NC2=CC=CC=C12	REAL300011027969	0	37	-2.0	-115.83	351.77	8.90	-106.93
CC1=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011027970	0	34	-2.0	-100.88	331.15	8.08	-92.80
O=C([O-])C1=CC=C([N+](=O)[O-])C(NCC2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300011027971	0	30	-2.0	-93.39	316.04	6.93	-86.46
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(NCC2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300011027972	0	33	-2.0	-99.00	337.80	8.04	-90.96
O=C([O-])C1=CN=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])N=C1	REAL300011027973	0	27	-2.0	-86.17	284.66	6.40	-79.77
O=C([O-])C1=CN=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C([N+](=O)[O-])=C1	REAL300011027974	0	30	-2.0	-83.56	312.56	6.88	-76.68
O=C([O-])C1=CN=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])S1	REAL300011027975	0	25	-2.0	-89.35	280.53	5.12	-84.23
O=C([O-])C1=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=NC=N1	REAL300011027976	0	27	-2.0	-91.74	283.68	5.58	-86.16
O=C([O-])C1=CC=CN=C1NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011027977	0	28	-2.0	-108.05	284.46	6.27	-101.78
O=C([O-])C1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])N=C1	REAL300011027978	0	28	-2.0	-88.80	287.46	5.71	-83.09
O=C([O-])C1=CC2=NC=NC(NCC3=CC(Cl)=CC(Cl)=C3[O-])=C2C=C1	REAL300011027979	0	33	-2.0	-87.86	327.61	8.06	-79.80
O=C([O-])C1=CC=NC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300011027980	0	28	-2.0	-93.57	287.93	5.75	-87.82
O=C([O-])C1=CC=CC([N+](=O)[O-])=C1NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011027981	0	31	-2.0	-111.97	306.91	8.61	-103.36
CC1=NC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1C(=O)[O-]	REAL300011027982	0	31	-2.0	-89.80	307.67	6.35	-83.45
O=C([O-])C1=CN=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=N1	REAL300011027983	0	27	-2.0	-89.42	283.13	3.87	-85.55
O=C([O-])C1=CN=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C([N+](=O)[O-])=C1	REAL300011027984	0	30	-2.0	-83.56	312.56	6.88	-76.68
CC1=NC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=NC=C1C(=O)[O-]	REAL300011027985	0	30	-2.0	-86.38	301.12	6.93	-79.45
O=C([O-])C1=CC=C(C(F)(F)F)N=C1NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011027986	0	31	-2.0	-99.82	324.92	7.37	-92.45
O=C([O-])C1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])N=N1	REAL300011027987	0	27	-2.0	-91.23	283.52	4.67	-86.56
O=C([O-])CC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C([N+](=O)[O-])=C1	REAL300011027988	0	34	-2.0	-88.83	337.74	8.32	-80.51
CC1=CC=C(C(=O)[O-])C(NCC2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300011027991	0	31	-2.0	-109.59	306.05	6.88	-102.71
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1=CC=C(C(=O)[O-])N=N1	REAL300011073032	1	44	-2.0	-108.48	391.10	7.66	-100.82
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1=NC(C(=O)[O-])=CO1	REAL300011073033	1	42	-2.0	-108.07	381.89	5.27	-102.80
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1=NC=C(C(=O)[O-])C=N1	REAL300011073034	1	44	-2.0	-110.74	391.74	9.68	-101.06
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1=NC=NC=C1C(=O)[O-]	REAL300011073036	1	44	-2.0	-104.84	388.62	7.89	-96.95
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1=NC=C(C(=O)[O-])C=N1	REAL300011073037	1	44	-2.0	-110.74	391.74	9.68	-101.06
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1=CC(C(=O)[O-])=NC=N1	REAL300011073038	1	44	-2.0	-105.34	391.34	8.71	-96.63
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1=CN=C(C(=O)[O-])C=N1	REAL300011073042	1	44	-2.0	-106.57	390.73	7.02	-99.55
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C1=CC=C(C(=O)[O-])N=N1	REAL300011073043	1	44	-2.0	-108.48	391.10	7.66	-100.82
O=C([O-])C1=COC(NCC2=CC=C(S(=O)(=O)[N-]C3=CC=C(F)C=C3)C=C2)=N1	REAL300011102608	1	39	-2.0	-94.30	368.31	2.95	-91.35
O=C([O-])C1=CC=C(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)N=N1	REAL300011103166	0	39	-2.0	-88.69	355.68	0.03	-88.66
O=C([O-])C1=COC(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)=N1	REAL300011103167	0	37	-2.0	-89.25	345.11	-2.74	-91.99
O=C([O-])C1=CN=C(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)N=C1	REAL300011103168	0	39	-2.0	-81.02	356.28	1.50	-79.52
O=C([O-])C1=CN=CN=C1N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	REAL300011103170	0	39	-2.0	-87.02	356.47	1.80	-85.22
O=C([O-])C1=CN=C(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)N=C1	REAL300011103171	0	39	-2.0	-81.02	356.28	1.50	-79.52
O=C([O-])C1=CN=C(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)S1	REAL300011103172	0	37	-2.0	-84.62	351.96	0.36	-84.26
O=C([O-])C1=CC(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)=NC=N1	REAL300011103173	0	39	-2.0	-85.31	355.26	1.14	-84.17
O=C([O-])C1=CC=CN=C1N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	REAL300011103174	1	40	-2.0	-94.31	361.34	2.10	-92.21
O=C([O-])C1=CC=C(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)N=C1	REAL300011103175	0	40	-2.0	-84.75	359.05	1.32	-83.43
O=C([O-])C1=CN=C(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)C=N1	REAL300011103178	0	39	-2.0	-86.05	355.33	-0.62	-86.67
CC1=NC(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)=NC=C1C(=O)[O-]	REAL300011103179	0	42	-2.0	-80.88	372.73	2.01	-78.87
O=C([O-])C1=CC=C(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)N=N1	REAL300011103180	0	39	-2.0	-88.69	355.68	0.03	-88.66
O=C([O-])C1=CC(N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)=CC=N1	REAL300011103182	1	40	-2.0	-92.84	358.04	0.09	-92.75
O=C([O-])C1=C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)C2=CC=CC=C2N=N1	REAL300011106898	1	45	-2.0	-111.12	366.25	7.76	-103.36
O=C([O-])C1=CC(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)=CC=C1[N+](=O)[O-]	REAL300011106899	1	43	-2.0	-106.64	363.51	8.71	-97.93
CC1=C(C(=O)[O-])SC2=NC=NC(N3CCC(C(=O)C4=CC=C([O-])C=C4)CC3)=C12	REAL300011106900	1	45	-2.0	-93.09	382.92	9.83	-83.26
O=C([O-])C1=CC=C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)N=N1	REAL300011106903	1	39	-2.0	-94.18	330.45	5.80	-88.38
O=C([O-])C1=COC(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)=N1	REAL300011106904	1	37	-2.0	-95.64	319.88	3.02	-92.62
O=C([O-])C1=CN=C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)N=C1	REAL300011106905	1	39	-2.0	-86.69	331.20	7.28	-79.41
O=C([O-])C1=CC=NC(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)=C1[N+](=O)[O-]	REAL300011106907	1	42	-2.0	-98.03	365.47	8.34	-89.69
O=C([O-])C1=CN=CN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300011106908	1	39	-2.0	-95.02	331.25	7.56	-87.46
O=C([O-])CC1=CC=C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)C([N+](=O)[O-])=C1	REAL300011106909	1	46	-2.0	-92.89	389.20	10.37	-82.52
CC1=C(C(=O)[O-])C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)=NC2=CC=CC=C21	REAL300011106910	1	49	-2.0	-107.85	400.62	9.96	-97.89
CC1=CC(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011106911	1	46	-2.0	-102.25	382.70	10.09	-92.16
O=C([O-])C1=CC=C([N+](=O)[O-])C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)=N1	REAL300011106912	1	42	-2.0	-89.69	365.41	8.57	-81.12
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)=N1	REAL300011106913	1	45	-2.0	-97.92	387.09	8.94	-88.98
O=C([O-])C1=CN=C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)N=C1	REAL300011106914	1	39	-2.0	-86.69	331.20	7.28	-79.41
O=C([O-])C1=CN=C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)C([N+](=O)[O-])=C1	REAL300011106915	1	42	-2.0	-84.56	364.23	8.56	-76.00
O=C([O-])C1=CN=C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)S1	REAL300011106916	1	37	-2.0	-90.85	326.73	6.12	-84.73
O=C([O-])C1=CC(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)=NC=N1	REAL300011106917	1	39	-2.0	-92.46	330.62	6.84	-85.62
O=C([O-])C1=CC2=NC=NC(N3CCC(C(=O)C4=CC=C([O-])C=C4)CC3)=C2C=C1	REAL300011106920	1	45	-2.0	-91.92	378.76	9.05	-82.87
O=C([O-])C1=CC=CC([N+](=O)[O-])=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300011106922	1	43	-2.0	-99.10	356.16	9.19	-89.91
O=C([O-])C1=CN=C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)C=N1	REAL300011106924	1	39	-2.0	-92.19	330.10	5.15	-87.04
O=C([O-])C1=CN=C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)C([N+](=O)[O-])=C1	REAL300011106925	1	42	-2.0	-84.56	364.23	8.56	-76.00
CC1=NC(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)=NC=C1C(=O)[O-]	REAL300011106926	1	42	-2.0	-86.34	347.70	7.78	-78.56
O=C([O-])C1=CC=C(C(F)(F)F)N=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300011106927	1	43	-2.0	-93.57	374.78	8.91	-84.66
O=C([O-])C1=CC=C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)N=N1	REAL300011106928	1	39	-2.0	-94.18	330.45	5.80	-88.38
O=C([O-])CC1=CC=C(N2CCC(C(=O)C3=CC=C([O-])C=C3)CC2)C([N+](=O)[O-])=C1	REAL300011106929	1	46	-2.0	-92.89	389.20	10.37	-82.52
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(C(=O)[O-])C3)N=C2)=N1	REAL300011112213	1	42	-2.0	-99.11	342.11	5.85	-93.26
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=CC(C(=O)[O-])=C3)N=C2)=N1	REAL300011112704	1	42	-2.0	-100.02	362.42	6.89	-93.13
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=C(C(=O)[O-])C=C3)N=C2)=N1	REAL300011113454	1	42	-2.0	-96.66	362.41	6.90	-89.76
COC1=CC=C(CNC2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C=C1C(=O)[O-]	REAL300011113814	1	46	-2.0	-105.81	389.72	6.96	-98.85
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)CC3=CC=C(C(=O)[O-])C=C3)N=C2)=N1	REAL300011114629	1	45	-2.0	-104.77	380.60	9.10	-95.67
CC1=C(C(=O)[O-])C=C(CNC2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)O1	REAL300011115014	1	42	-2.0	-96.55	363.47	5.86	-90.69
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCC3=CC=C(C(=O)[O-])C=C3)N=C2)=N1	REAL300011115383	1	45	-2.0	-101.25	383.91	7.68	-93.57
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)CC(C)C(=O)[O-])N=C2)=N1	REAL300011115782	1	41	-2.0	-96.14	335.51	6.58	-89.56
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCOC3=CC=C(C(=O)[O-])C=C3)N=C2)=N1	REAL300011116861	1	46	-2.0	-98.62	392.21	6.53	-92.09
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=C(C(=O)[O-])O3)N=C2)=N1	REAL300011117274	1	39	-2.0	-96.79	345.22	5.40	-91.39
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(CC(=O)[O-])CC3)N=C2)=N1	REAL300011117547	1	45	-2.0	-92.16	359.29	6.50	-85.66
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(CCC(=O)[O-])CC3)N=C2)=N1	REAL300011117841	1	48	-2.0	-92.20	381.71	7.28	-84.92
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4(CC4C(=O)[O-])CC3)N=C2)=N1	REAL300011118668	1	46	-2.0	-99.68	366.58	7.11	-92.57
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC[C@@H](C(=O)[O-])C3)N=C2)=N1	REAL300011119430	1	42	-2.0	-98.45	341.66	5.84	-92.61
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCOC(CC(=O)[O-])C3)N=C2)=N1	REAL300011119677	1	43	-2.0	-94.55	354.47	4.33	-90.22
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])CC3)N=C2)=N1	REAL300011119949	1	42	-2.0	-92.59	342.06	5.87	-86.72
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C)C(=O)[O-])N=C2)=N1	REAL300011120143	1	38	-2.0	-92.71	320.83	4.71	-88.00
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CCCC3)N=C2)=N1	REAL300011120330	1	45	-2.0	-98.25	363.17	6.71	-91.54
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(C)(C(=O)[O-])C3)N=C2)=N1	REAL300011120618	1	45	-2.0	-100.08	356.44	6.61	-93.47
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)CCC(=O)[O-])N=C2)=N1	REAL300011120853	1	38	-2.0	-97.88	322.25	6.11	-91.77
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)C(C)C(=O)[O-])N=C2)=N1	REAL300011120981	1	38	-2.0	-96.23	315.21	5.93	-90.30
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC3CC(=O)[O-])N=C2)=N1	REAL300011121101	1	42	-2.0	-99.29	344.53	5.92	-93.37
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(O)(C(=O)[O-])CC3)N=C2)=N1	REAL300011121305	1	43	-2.0	-91.84	350.55	3.38	-88.46
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C(=O)[O-])C3=CC=CC=C3)N=C2)=N1	REAL300011121632	1	45	-2.0	-99.65	379.90	7.76	-91.89
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)C(C)C(=O)[O-])N=C2)=N1	REAL300011121944	1	38	-2.0	-96.23	315.21	5.93	-90.30
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C)(O)C(=O)[O-])N=C2)=N1	REAL300011122070	1	39	-2.0	-91.35	331.25	2.25	-89.10
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCC3=CC=C(OCC(=O)[O-])C=C3)N=C2)=N1	REAL300011122332	1	49	-2.0	-98.07	414.98	7.96	-90.11
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4=CC=C(C(=O)[O-])C=C4C3)N=C2)=N1	REAL300011122801	1	46	-2.0	-104.52	377.04	7.50	-97.02
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4=C(C=CC=C4C(=O)[O-])C3)N=C2)=N1	REAL300011123239	1	46	-2.0	-98.31	374.27	7.86	-90.45
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CCCCC3)N=C2)=N1	REAL300011125133	1	48	-2.0	-97.99	373.41	7.17	-90.82
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCC3=CC=CC(C(=O)[O-])=C3)N=C2)=N1	REAL300011125982	1	45	-2.0	-103.07	383.92	7.67	-95.40
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(CC(=O)[O-])C3CC3)N=C2)=N1	REAL300011133346	1	45	-2.0	-93.44	368.62	6.78	-86.66
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=C(CC(=O)[O-])C=C3)N=C2)=N1	REAL300011133911	1	45	-2.0	-93.86	384.56	7.68	-86.18
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CC=C(C(=O)[O-])C3)N=C2)=N1	REAL300011134395	1	40	-2.0	-95.14	339.68	5.85	-89.29
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4=C(F)C=CC(C(=O)[O-])=C4C3)N=C2)=N1	REAL300011134701	1	46	-2.0	-101.98	379.72	7.83	-94.15
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)[C@@H](C)C(=O)[O-])N=C2)=N1	REAL300011135577	1	38	-2.0	-96.83	315.09	5.94	-90.89
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H](C)O[C@H](C(=O)[O-])C3)N=C2)=N1	REAL300011135822	1	43	-2.0	-95.48	350.37	5.19	-90.29
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CC=C(C(=O)[O-])C3)N=C2)=N1	REAL300011136089	1	40	-2.0	-95.14	339.68	5.85	-89.29
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(C(=O)[O-])C3)N=C2)=N1	REAL300011136358	1	42	-2.0	-99.11	342.11	5.85	-93.26
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)N=C2)=N1	REAL300011137223	1	45	-2.0	-91.66	354.62	6.58	-85.08
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCN(C4(C(=O)[O-])CCOC4)CC3)N=C2)=N1	REAL300011138786	1	52	-2.0	-95.41	399.11	3.09	-92.32
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CCCOC3)N=C2)=N1	REAL300011139453	1	46	-2.0	-96.27	366.98	5.00	-91.27
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC(C(=O)[O-])=CO3)N=C2)=N1	REAL300011139796	1	39	-2.0	-96.26	345.48	5.12	-91.14
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4=CC=CC=C4C(C(=O)[O-])C3)N=C2)=N1	REAL300011140606	1	46	-2.0	-100.36	375.28	7.81	-92.55
CCC(CC)(CNC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300011141163	1	47	-2.0	-98.24	370.24	6.42	-91.82
C[C@H]([N-]C1=NC(C2=CC=CC=C2)=NO1)C(=O)N[C@@H](C)C(=O)[O-]	REAL300011141705	0	36	-2.0	-98.34	318.89	1.84	-96.50
C[C@H]([N-]C1=NC(C2=CC=CC(Cl)=C2)=NO1)C(=O)N[C@@H](C)C(=O)[O-]	REAL300011141730	0	36	-2.0	-94.87	335.62	2.34	-92.53
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])N=C2)=N1	REAL300011141765	1	45	-2.0	-90.04	378.73	3.36	-86.68
C[C@H]([N-]C1=NC(C2=CC=CC(OC3=CC=CC=C3)=C2)=NO1)C(=O)N[C@@H](C)C(=O)[O-]	REAL300011141771	0	47	-2.0	-98.75	407.56	4.67	-94.08
COC1=CC=CC(C2=NOC([N-][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=N2)=C1	REAL300011141808	0	40	-2.0	-99.33	348.37	1.14	-98.19
CC1=CC=C(C2=NOC([N-][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=N2)C=C1	REAL300011141844	0	39	-2.0	-98.35	340.46	2.49	-95.86
COC1=CC=C(C2=NOC([N-][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=N2)C=C1	REAL300011141845	0	40	-2.0	-96.40	348.33	1.15	-95.25
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(O)(C(=O)[O-])C3)N=C2)=N1	REAL300011146024	1	40	-2.0	-95.41	334.59	2.53	-92.88
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4=CC(C(=O)[O-])=CC=C4C3)N=C2)=N1	REAL300011147339	1	46	-2.0	-106.49	377.11	7.50	-98.99
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C(=O)[O-])C3CCOCC3)N=C2)=N1	REAL300011147885	1	49	-2.0	-97.60	393.34	5.43	-92.17
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(CCC(=O)[O-])C3)N=C2)=N1	REAL300011148371	1	48	-2.0	-95.51	381.70	7.25	-88.26
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)N=C2)=N1	REAL300011149899	1	46	-2.0	-94.24	362.48	6.15	-88.09
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CC(CC(=O)[O-])C3)N=C2)=N1	REAL300011152197	1	42	-2.0	-97.52	349.66	6.06	-91.46
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)N=C2)=N1	REAL300011152440	1	43	-2.0	-100.16	339.45	6.33	-93.83
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(CC3=CC=CC=C3)C(=O)[O-])N=C2)=N1	REAL300011152870	1	48	-2.0	-95.94	393.25	8.40	-87.54
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=NC=C(C(=O)[O-])S3)N=C2)=N1	REAL300011153464	1	38	-2.0	-92.09	349.02	4.21	-87.88
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C)(C)CC(=O)[O-])N=C2)=N1	REAL300011153788	1	44	-2.0	-90.69	351.20	5.93	-84.76
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC([C@@H]4OCC[C@H]4C(=O)[O-])CC3)N=C2)=N1	REAL300011154750	1	53	-2.0	-93.80	413.73	6.78	-87.02
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCC3=CC=CC=C3C(=O)[O-])N=C2)=N1	REAL300011156814	1	45	-2.0	-103.63	374.99	7.41	-96.22
O=C([O-])C1=CC=C(NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)N=N1	REAL300011179267	1	41	-2.0	-102.10	371.63	5.69	-96.41
O=C([O-])C1=COC(NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)=N1	REAL300011179268	1	39	-2.0	-104.71	360.65	2.92	-101.79
O=C([O-])C1=CN=C(NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)N=C1	REAL300011179269	1	41	-2.0	-96.76	372.77	7.43	-89.33
O=C([O-])C1=CN=CN=C1NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300011179271	1	41	-2.0	-114.48	367.69	7.11	-107.37
O=C([O-])C1=CN=C(NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)N=C1	REAL300011179272	1	41	-2.0	-96.76	372.77	7.43	-89.33
O=C([O-])C1=CN=C(NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)S1	REAL300011179273	1	39	-2.0	-99.99	368.65	6.14	-93.85
O=C([O-])C1=CC(NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)=NC=N1	REAL300011179274	1	41	-2.0	-102.44	371.80	6.57	-95.87
O=C([O-])C1=CC=CN=C1NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300011179275	1	42	-2.0	-122.81	372.57	7.30	-115.51
O=C([O-])C1=CC=C(NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)N=C1	REAL300011179276	1	42	-2.0	-99.50	375.57	6.75	-92.75
O=C([O-])C1=CN=C(NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)C=N1	REAL300011179279	1	41	-2.0	-100.23	371.24	4.89	-95.34
CC1=NC(NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)=NC=C1C(=O)[O-]	REAL300011179280	1	44	-2.0	-96.83	389.23	7.94	-88.89
O=C([O-])C1=CC=C(NCC2=CC=CC=C2[N-]S(=O)(=O)C2=CC=CC=C2)N=N1	REAL300011179281	1	41	-2.0	-102.10	371.63	5.69	-96.41
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)N=C2)=N1	REAL300011184229	1	46	-2.0	-99.96	364.87	7.10	-92.86
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCC3=NC=C(C(=O)[O-])S3)N=C2)=N1	REAL300011185036	1	41	-2.0	-96.48	370.52	4.98	-91.50
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CCCC3)N=C2)=N1	REAL300011185433	1	45	-2.0	-98.25	363.17	6.71	-91.54
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCCCCC(=O)[O-])N=C2)=N1	REAL300011186476	1	44	-2.0	-94.42	367.65	6.36	-88.06
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC3C(=O)[O-])N=C2)=N1	REAL300011186682	1	39	-2.0	-107.87	318.53	4.73	-103.14
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(CC(=O)[O-])CC3=CC=CC=C3)N=C2)=N1	REAL300011186857	1	45	-2.0	-101.28	382.07	9.71	-91.57
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCCC(=O)[O-])N=C2)=N1	REAL300011187095	1	38	-2.0	-93.00	324.65	4.80	-88.20
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(CC(=O)[O-])CC3)N=C2)=N1	REAL300011187277	1	45	-2.0	-92.16	359.29	6.50	-85.66
C=CCN(CC(=O)[O-])C1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300011187519	1	39	-2.0	-100.78	335.85	7.19	-93.59
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(CCC(=O)[O-])CC(C)C)N=C2)=N1	REAL300011187919	1	47	-2.0	-98.15	380.23	8.31	-89.84
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)CCCC(=O)[O-])N=C2)=N1	REAL300011188117	1	41	-2.0	-100.67	343.75	6.91	-93.76
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CCC(C(=O)[O-])CC3)N=C2)=N1	REAL300011188332	1	45	-2.0	-98.72	357.67	6.72	-92.00
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])C3)N=C2)=N1	REAL300011188584	1	39	-2.0	-95.01	323.84	5.19	-89.82
CCCN(CC(=O)[O-])C1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300011188750	1	41	-2.0	-100.90	344.54	7.38	-93.52
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=C(C(=O)[O-])C=C3)N=C2)=N1	REAL300011188927	1	42	-2.0	-96.66	362.41	6.90	-89.76
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC[C@@H](C(=O)[O-])C3)N=C2)=N1	REAL300011189219	1	42	-2.0	-98.45	341.66	5.84	-92.61
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(CCC(=O)[O-])CC3=CC=CN=C3)N=C2)=N1	REAL300011189888	1	47	-2.0	-100.92	389.35	7.84	-93.08
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(CCC(=O)[O-])CC3CC3)N=C2)=N1	REAL300011190212	1	45	-2.0	-96.22	375.74	8.62	-87.60
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3C[C@@H](C(=O)[O-])C3)N=C2)=N1	REAL300011190409	1	39	-2.0	-94.45	329.49	5.30	-89.15
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=C(C(=O)[O-])OC4=CC=CC=C43)N=C2)=N1	REAL300011190661	1	45	-2.0	-103.24	388.05	7.55	-95.69
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC[C@H]3C(=O)[O-])N=C2)=N1	REAL300011191471	1	39	-2.0	-107.05	325.62	5.37	-101.68
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC[C@@H]3C(=O)[O-])N=C2)=N1	REAL300011191598	1	39	-2.0	-108.12	319.02	4.73	-103.39
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(CC3=CC=CC(F)=C3)C(=O)[O-])N=C2)=N1	REAL300011192288	1	48	-2.0	-96.58	409.60	8.48	-88.10
CC1=CC=CC(CC(CNC2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C(=O)[O-])=C1	REAL300011192759	1	51	-2.0	-98.28	418.04	9.04	-89.24
CC1=CC=C(C(CNC2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C(=O)[O-])C=C1	REAL300011193231	1	48	-2.0	-99.09	399.63	8.50	-90.59
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(CC3CC3)C(=O)[O-])N=C2)=N1	REAL300011194027	1	45	-2.0	-98.90	375.28	6.99	-91.91
COCCN(CCC(=O)[O-])C1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300011195103	1	45	-2.0	-101.09	375.44	6.21	-94.88
COCCN(CC(=O)[O-])C1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300011195304	1	42	-2.0	-103.29	354.41	5.79	-97.50
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=CC(OCC(=O)[O-])=C3)N=C2)=N1	REAL300011195555	1	46	-2.0	-97.06	393.48	7.18	-89.88
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC[C@@H]3C(=O)[O-])N=C2)=N1	REAL300011195927	1	39	-2.0	-108.12	319.02	4.73	-103.39
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=C(C(=O)[O-])O3)N=C2)=N1	REAL300011196095	1	39	-2.0	-96.79	345.22	5.40	-91.39
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CCC3)N=C2)=N1	REAL300011196348	1	42	-2.0	-97.37	344.86	6.05	-91.32
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(CCC(=O)[O-])CC3CCCO3)N=C2)=N1	REAL300011196601	1	49	-2.0	-100.37	399.04	7.43	-92.94
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CC3)N=C2)=N1	REAL300011196888	1	39	-2.0	-97.58	330.32	5.66	-91.92
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C)(C)C(=O)[O-])N=C2)=N1	REAL300011197065	1	41	-2.0	-93.55	338.59	5.38	-88.17
CC1=C(C(=O)[O-])SC2=NC(C)=NC([N-]C3=NC(C)=NC(Cl)=N3)=C12	REAL300011197153	1	32	-2.0	-95.94	311.81	10.15	-85.79
CC1=C(C(=O)[O-])SC2=NC(CN(C)C)=NC([N-]C3=NC(C)=NC(Cl)=N3)=C12	REAL300011197154	1	40	-2.0	-97.32	367.38	8.95	-88.37
CC1=C(C(=O)[O-])SC2=NC=NC([N-]C3=NC(C)=NC(Cl)=N3)=C12	REAL300011197155	1	29	-2.0	-93.76	289.98	10.22	-83.54
CC1=NC(Cl)=NC([N-]C2=NC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011197165	0	26	-2.0	-103.54	273.04	9.37	-94.17
CC1=NC(Cl)=NC([N-]C2=NC(C(=O)[O-])=CC=C2[N+](=O)[O-])=N1	REAL300011197169	0	26	-2.0	-99.16	272.26	9.11	-90.05
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C([N-]C2=NC(C)=NC(Cl)=N2)=N1	REAL300011197170	0	29	-2.0	-105.50	294.65	9.97	-95.53
CC1=NC(Cl)=NC([N-]C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011197171	0	26	-2.0	-91.02	271.29	9.12	-81.90
CC1=NC(Cl)=NC([N-]C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011197174	0	26	-2.0	-91.02	271.29	9.12	-81.90
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(C)C(C)C(=O)[O-])N=C2)=N1	REAL300011197256	1	41	-2.0	-92.63	331.97	5.11	-87.52
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])C3)N=C2)=N1	REAL300011197397	1	39	-2.0	-95.01	323.84	5.19	-89.82
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3C[C@H](C(=O)[O-])C3)N=C2)=N1	REAL300011197569	1	39	-2.0	-93.62	329.38	5.33	-88.29
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CC3)N=C2)=N1	REAL300011197735	1	39	-2.0	-97.58	330.32	5.66	-91.92
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(CC(C)C)C(=O)[O-])N=C2)=N1	REAL300011197935	1	47	-2.0	-98.71	382.36	6.71	-92.00
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(CCC3=CC=CC=C3)CC(=O)[O-])N=C2)=N1	REAL300011198327	1	48	-2.0	-102.05	404.44	10.41	-91.64
CCCCCC(NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300011198631	1	47	-2.0	-100.15	387.16	7.34	-92.81
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(C)CC(=O)[O-])N=C2)=N1	REAL300011198800	1	38	-2.0	-98.64	320.89	4.90	-93.74
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCC(C)(C)C(=O)[O-])N=C2)=N1	REAL300011198932	1	44	-2.0	-93.92	357.94	5.70	-88.22
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CCCC3(C)C(=O)[O-])N=C2)=N1	REAL300011199151	1	45	-2.0	-103.71	360.44	6.92	-96.79
CO[C@@H](CNC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300011199345	1	39	-2.0	-94.07	336.26	3.81	-90.26
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C)C(C(=O)[O-])C3)N=C2)=N1	REAL300011199560	1	42	-2.0	-94.79	344.95	5.69	-89.10
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C)(C(=O)[O-])C3)N=C2)=N1	REAL300011199785	1	42	-2.0	-94.73	341.58	4.81	-89.92
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(CC3CCOCC3)C(=O)[O-])N=C2)=N1	REAL300011200042	1	49	-2.0	-100.82	394.37	5.79	-95.03
O=C([O-])C1=COC(C[N-]C2=NC(C3=CC=CC(Cl)=C3)=NO2)=N1	REAL300011201071	0	29	-2.0	-101.70	297.80	0.58	-101.12
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=NC(C(=O)[O-])=CO3)N=C2)=N1	REAL300011201099	1	38	-2.0	-97.80	340.05	1.61	-96.19
O=C([O-])C1=COC(C[N-]C2=NC(C3=CC=CC(OC4=CC=CC=C4)=C3)=NO2)=N1	REAL300011201103	0	40	-2.0	-104.32	369.76	2.91	-101.41
COC1=CC=CC(C2=NOC([N-]CC3=NC(C(=O)[O-])=CO3)=N2)=C1	REAL300011201119	0	33	-2.0	-104.94	310.55	-0.64	-105.58
CC1=CC=C(C2=NOC([N-]CC3=NC(C(=O)[O-])=CO3)=N2)C=C1	REAL300011201149	0	32	-2.0	-103.97	302.47	0.74	-103.23
COC1=CC=C(C2=NOC([N-]CC3=NC(C(=O)[O-])=CO3)=N2)C=C1	REAL300011201150	0	33	-2.0	-102.21	310.51	-0.62	-102.83
CCC(CC)(CNC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300011202188	1	47	-2.0	-98.24	370.24	6.42	-91.82
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(CCC(=O)[O-])C3)N=C2)=N1	REAL300011202488	1	48	-2.0	-95.51	381.70	7.25	-88.26
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=C(C(=O)[O-])S3)N=C2)=N1	REAL300011202840	1	39	-2.0	-95.76	353.16	6.10	-89.66
CC1=C(C(=O)[O-])SC2=NC(C)=NC([N-]C3=NC(Cl)=NC(C(C)(C)C)=N3)=C12	REAL300011203048	1	41	-2.0	-97.45	372.25	12.08	-85.37
CC1=C(C(=O)[O-])SC2=NC=NC([N-]C3=NC(Cl)=NC(C(C)(C)C)=N3)=C12	REAL300011203049	1	38	-2.0	-95.24	350.40	12.15	-83.09
CC(C)(C)C1=NC(Cl)=NC([N-]C2=CC=C(C(=O)[O-])N=N2)=N1	REAL300011203057	1	32	-2.0	-102.01	301.75	8.64	-93.37
CC(C)(C)C1=NC(Cl)=NC([N-]C2=NC=C(C(=O)[O-])C=N2)=N1	REAL300011203058	0	32	-2.0	-97.83	300.81	10.32	-87.51
CC(C)(C)C1=NC(Cl)=NC([N-]C2=NC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011203060	0	35	-2.0	-105.27	333.46	11.30	-93.97
CC(C)(C)C1=NC(Cl)=NC([N-]C2=NC(C(=O)[O-])=CC=C2[N+](=O)[O-])=N1	REAL300011203065	0	35	-2.0	-101.11	332.68	11.04	-90.07
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C([N-]C2=NC(Cl)=NC(C(C)(C)C)=N2)=N1	REAL300011203066	0	38	-2.0	-107.25	355.06	11.90	-95.35
CC(C)(C)C1=NC(Cl)=NC([N-]C2=NC=C(C(=O)[O-])C=N2)=N1	REAL300011203067	0	32	-2.0	-97.83	300.81	10.32	-87.51
CC(C)(C)C1=NC(Cl)=NC([N-]C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011203068	0	35	-2.0	-92.58	331.71	11.05	-81.53
CC(C)(C)C1=NC(Cl)=NC([N-]C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011203078	0	35	-2.0	-92.58	331.71	11.05	-81.53
CC1=NC([N-]C2=NC(Cl)=NC(C(C)(C)C)=N2)=NC=C1C(=O)[O-]	REAL300011203079	0	35	-2.0	-98.65	317.27	10.84	-87.81
CC(C)(C)C1=NC(Cl)=NC([N-]C2=CC=C(C(=O)[O-])N=N2)=N1	REAL300011203081	1	32	-2.0	-102.01	301.75	8.64	-93.37
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCOCC(=O)[O-])N=C2)=N1	REAL300011203176	1	39	-2.0	-99.13	337.66	4.01	-95.12
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4CCC3C(C(=O)[O-])C4)N=C2)=N1	REAL300011203380	1	46	-2.0	-98.47	354.25	6.83	-91.64
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(OC3=CC=C(F)C=C3)C(=O)[O-])N=C2)=N1	REAL300011203687	1	46	-2.0	-93.08	397.40	7.22	-85.86
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(CCC(=O)[O-])CC3=CC=CC=C3)N=C2)=N1	REAL300011204128	1	51	-2.0	-98.10	423.94	9.57	-88.53
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(C)C3=CC=C(OCC(=O)[O-])C=C3)N=C2)=N1	REAL300011204497	1	49	-2.0	-94.74	409.33	7.89	-86.85
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCOCC(=O)[O-])N=C2)=N1	REAL300011204823	1	39	-2.0	-99.13	337.66	4.01	-95.12
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)N=C2)=N1	REAL300011205072	1	48	-2.0	-97.53	388.15	8.20	-89.33
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C)(C(=O)[O-])C3=CC=CC=C3)N=C2)=N1	REAL300011205505	1	48	-2.0	-97.53	388.15	8.20	-89.33
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C(=O)[O-])C3=CC=C(F)C=C3)N=C2)=N1	REAL300011205945	1	45	-2.0	-95.43	386.32	7.83	-87.60
CCCC(CNC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(=O)[O-]	REAL300011206329	1	44	-2.0	-95.89	360.14	6.24	-89.65
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=C(C(=O)[O-])OC=C3)N=C2)=N1	REAL300011206910	1	39	-2.0	-102.36	341.83	5.11	-97.25
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(C)C(CC3=CC=CC=C3)C(=O)[O-])N=C2)=N1	REAL300011207194	1	51	-2.0	-93.44	404.60	8.76	-84.68
O=C([O-])C1=CC=C2NC(C[N-]C3=NC(C4=CC=CC=C4)=NO3)=NC2=C1	REAL300011207708	1	36	-2.0	-101.19	329.65	4.10	-97.09
O=C([O-])C1=CC=C2NC(C[N-]C3=NC(C4=CC=CC(Cl)=C4)=NO3)=NC2=C1	REAL300011207735	1	36	-2.0	-99.14	346.38	4.61	-94.53
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=NC4=CC(C(=O)[O-])=CC=C4N3)N=C2)=N1	REAL300011207773	1	45	-2.0	-101.65	388.63	5.59	-96.06
COC1=CC=CC(C2=NOC([N-]CC3=NC4=CC(C(=O)[O-])=CC=C4N3)=N2)=C1	REAL300011207846	1	40	-2.0	-102.06	359.13	3.38	-98.68
CC1=CC=C(C2=NOC([N-]CC3=NC4=CC(C(=O)[O-])=CC=C4N3)=N2)C=C1	REAL300011207879	1	39	-2.0	-101.05	351.05	4.76	-96.29
COC1=CC=C(C2=NOC([N-]CC3=NC4=CC(C(=O)[O-])=CC=C4N3)=N2)C=C1	REAL300011207880	1	40	-2.0	-99.45	359.10	3.40	-96.05
O=C([O-])C1=CC=C2NC(C[N-]C3=NN=C(C(F)F)O3)=NC2=C1	REAL300011207979	1	29	-2.0	-95.32	284.01	-1.30	-96.62
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)N=C2)=N1	REAL300011208222	1	49	-2.0	-97.85	402.05	8.53	-89.32
CCC(CNC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300011208679	1	51	-2.0	-98.70	405.55	8.65	-90.05
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3C[C@@H](C(=O)[O-])C4=CC=CC=C43)N=C2)=N1	REAL300011209121	1	46	-2.0	-93.27	379.16	7.81	-85.46
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC[C@H]3C[C@H]3C(=O)[O-])N=C2)=N1	REAL300011209465	1	39	-2.0	-99.43	330.74	5.37	-94.06
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])(C(F)(F)F)CC3)N=C2)=N1	REAL300011209703	1	45	-2.0	-93.14	371.59	6.46	-86.68
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)N=C2)=N1	REAL300011210600	1	49	-2.0	-99.75	379.28	7.19	-92.56
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)[C@H]3C[C@@H](C(=O)[O-])C3)N=C2)=N1	REAL300011210953	1	42	-2.0	-93.84	344.63	7.00	-86.84
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4CC3(C(=O)[O-])C4)N=C2)=N1	REAL300011211117	1	40	-2.0	-109.36	329.38	5.52	-103.84
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(CC3CCCOC3)C(=O)[O-])N=C2)=N1	REAL300011211323	1	49	-2.0	-102.09	394.05	5.85	-96.24
COC1(C(=O)[O-])CCN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C1	REAL300011211637	1	43	-2.0	-94.69	347.72	4.46	-90.23
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C(=O)[O-])C3CCCCC3)N=C2)=N1	REAL300011211974	1	51	-2.0	-96.85	396.81	7.83	-89.02
CC1=C(C(=O)[O-])OC(CNC2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)=C1	REAL300011212398	1	42	-2.0	-97.54	363.19	5.99	-91.55
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCOC(C)(C(=O)[O-])C3)N=C2)=N1	REAL300011212734	1	43	-2.0	-99.86	349.44	5.05	-94.81
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)N=C2)=N1	REAL300011213023	1	43	-2.0	-94.98	356.43	6.48	-88.50
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC[C@H]3CCO[C@H]3C(=O)[O-])N=C2)=N1	REAL300011213300	1	43	-2.0	-103.56	355.19	4.69	-98.87
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CCOC4(CC(C(=O)[O-])C4)C3)N=C2)=N1	REAL300011214034	1	50	-2.0	-96.40	400.78	6.01	-90.39
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC[C@@H](OC3=CC=CC=C3)C(=O)[O-])N=C2)=N1	REAL300011214479	1	46	-2.0	-97.59	390.99	7.16	-90.43
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4=CC(C(=O)[O-])=NN4CC3C)N=C2)=N1	REAL300011214892	1	46	-2.0	-109.97	378.01	5.74	-104.23
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CCC4(CC4C(=O)[O-])CC3)N=C2)=N1	REAL300011215944	1	49	-2.0	-100.07	387.74	7.58	-92.49
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H](C)[C@H](CC(=O)[O-])C3)N=C2)=N1	REAL300011216316	1	45	-2.0	-99.43	364.40	6.33	-93.10
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCOC4=C(C=CC=C4C(=O)[O-])C3)N=C2)=N1	REAL300011216648	1	47	-2.0	-99.02	385.44	7.76	-91.26
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(CC(=O)[O-])CCCC3)N=C2)=N1	REAL300011217174	1	48	-2.0	-97.79	377.44	7.08	-90.71
CC1=C(CNC2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C=C(C(=O)[O-])O1	REAL300011217513	1	42	-2.0	-97.14	366.25	6.02	-91.12
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC[C@H]3CCCC[C@H]3C(=O)[O-])N=C2)=N1	REAL300011218037	1	48	-2.0	-98.63	373.41	6.94	-91.69
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C(=O)[O-])C4(C3)CCCCC4)N=C2)=N1	REAL300011219407	1	52	-2.0	-98.31	396.07	7.57	-90.74
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(CC(C)C)(C(=O)[O-])CC3)N=C2)=N1	REAL300011220038	1	54	-2.0	-99.67	404.85	7.86	-91.81
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=NC3=CC=CC=C32)CC1	REAL300011220754	0	35	-2.0	-129.09	292.63	7.98	-121.11
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC=C2C(F)(F)F)CC1	REAL300011220755	0	33	-2.0	-131.50	289.79	7.32	-124.18
O=C([O-])C1(C(=O)[O-])CCN(C2=CN=CC(C3=CC=CS3)=N2)CC1	REAL300011220756	0	36	-2.0	-126.94	310.92	6.38	-120.56
O=C([O-])C1(C(=O)[O-])CCN(C2=CN=C(C3=CC=CC=C3)C=N2)CC1	REAL300011220757	0	39	-2.0	-127.20	320.22	7.71	-119.49
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(C(F)(F)F)C=N2)CC1	REAL300011220758	0	33	-2.0	-122.45	283.76	7.21	-115.24
CS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300011220759	0	39	-2.0	-132.92	341.53	6.05	-126.87
CC(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300011220760	0	38	-2.0	-127.56	323.15	9.04	-118.52
NS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300011220761	0	38	-2.0	-129.44	335.01	3.49	-125.95
NC1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300011220762	0	35	-2.0	-130.89	295.98	6.42	-124.47
O=C([O-])C1(C(=O)[O-])CCN(C2=NN=NN2C2=CC=CC=C2)CC1	REAL300011220763	0	36	-2.0	-121.32	299.02	8.17	-113.15
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CC1	REAL300011220764	0	36	-2.0	-122.22	319.56	9.53	-112.69
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C([N+](=O)[O-])C(C(F)(F)F)=C2)CC1	REAL300011220765	0	36	-2.0	-114.79	309.06	7.95	-106.84
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CC1	REAL300011220766	0	36	-2.0	-122.22	319.56	9.53	-112.69
CC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2C(=N1)SC1=C2CCC1	REAL300011220767	0	42	-2.0	-128.46	351.40	8.91	-119.55
O=C([O-])C1(C(=O)[O-])CCN(C2=C3C(=NC=N2)SC2=C3CCCC2)CC1	REAL300011220768	0	42	-2.0	-127.96	344.35	10.35	-117.61
O=C([O-])C1(C(=O)[O-])CCN(C2=C3C(C4=CC=CC=C4)=CSC3=NC=N2)CC1	REAL300011220769	0	42	-2.0	-129.23	354.05	11.64	-117.59
CC1=C(C)C2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN=C2S1	REAL300011220770	0	38	-2.0	-126.92	321.51	9.22	-117.70
O=C([O-])C1(C(=O)[O-])CCN(C2=C3C(=NC=N2)SC2=C3CCC2)CC1	REAL300011220771	0	39	-2.0	-127.82	330.13	8.80	-119.02
CC1CCC2=C(C1)SC1=NC=NC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300011220772	0	45	-2.0	-127.56	365.15	10.96	-116.60
O=C([O-])C1(C(=O)[O-])CCN(C2=C3C=C(C4=CC=CC=C4)SC3=NC=N2)CC1	REAL300011220773	0	42	-2.0	-126.45	353.69	10.54	-115.91
O=C([O-])C1(C(=O)[O-])CCN(C2=C3C=CSC3=NC=N2)CC1	REAL300011220774	0	32	-2.0	-123.96	272.56	7.14	-116.82
CC1=CC=C(C2=CSC3=NC=NC(N4CCC(C(=O)[O-])(C(=O)[O-])CC4)=C23)C=C1	REAL300011220775	0	45	-2.0	-129.53	377.26	12.59	-116.94
CC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300011220776	0	45	-2.0	-127.45	375.49	10.49	-116.96
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=CS3)=NC3=CC=CC=C32)CC1	REAL300011220777	0	42	-2.0	-136.65	363.66	10.14	-126.51
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=CC=C3C=C2)CC1	REAL300011220778	0	36	-2.0	-134.47	294.67	8.11	-126.36
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(C(=O)C3=CC=CC=C3)C=C2[N+](=O)[O-])CC1	REAL300011220779	0	45	-2.0	-126.58	377.09	11.78	-114.80
CNS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300011220780	0	41	-2.0	-128.40	357.44	4.70	-123.70
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(S(=O)(=O)N3CCOCC3)C=N2)CC1	REAL300011220781	0	46	-2.0	-128.22	373.14	3.76	-124.46
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(S(=O)(=O)N3CCCCC3)C=N2)CC1	REAL300011220782	0	48	-2.0	-128.06	381.89	6.18	-121.88
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(S(=O)(=O)N3CCCC3)C=N2)CC1	REAL300011220783	0	45	-2.0	-127.52	366.71	5.32	-122.20
CCN(CC)S(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300011220784	0	47	-2.0	-129.31	381.59	5.86	-123.45
CC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300011220785	0	45	-2.0	-128.36	372.09	11.83	-116.53
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=CC=C3)=NC3=CC=CC=C32)CC1	REAL300011220786	0	45	-2.0	-137.24	371.98	11.28	-125.96
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=CN=C3)=NC3=CC=CC=C32)CC1	REAL300011220787	0	44	-2.0	-139.60	366.96	9.50	-130.10
CC1=CC2=NC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC(C)=C2C=C1	REAL300011220788	0	42	-2.0	-134.42	330.08	9.58	-124.84
CC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC2=CC=CC=C12	REAL300011220789	0	39	-2.0	-135.29	312.60	8.66	-126.63
CC1=NC2=NC=NN2C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300011220790	0	35	-2.0	-124.54	285.74	10.51	-114.03
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(C3=CC=CC=C3)=NC3=NC=NN32)CC1	REAL300011220791	0	42	-2.0	-124.61	340.91	13.56	-111.05
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C(F)(F)F)=NC3=CC=CC=C32)CC1	REAL300011220792	0	38	-2.0	-130.89	332.76	8.53	-122.36
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=CC=C3S2)CC1	REAL300011220793	0	33	-2.0	-128.29	287.20	7.29	-121.00
CS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300011220794	0	39	-2.0	-132.92	341.53	6.05	-126.87
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=CC=C3C(C3=CC=CC=C3)=N2)CC1	REAL300011220795	0	45	-2.0	-139.36	366.07	11.67	-127.69
CC1=NN2C(=C1)N=C(N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C12	REAL300011220796	0	42	-2.0	-126.62	337.83	10.13	-116.49
O=C([O-])C1(C(=O)[O-])CCN(C2=C([N+](=O)[O-])N3C=CSC3=N2)CC1	REAL300011220797	0	33	-2.0	-133.47	299.20	8.85	-124.62
O=C([O-])C1(C(=O)[O-])CCN(C2=C([N+](=O)[O-])N3C=CC=CC3=N2)CC1	REAL300011220798	0	36	-2.0	-137.00	308.71	9.62	-127.38
O=C([O-])C1(C(=O)[O-])CCN(C2=CC3=C(C=C2[N+](=O)[O-])C(=O)N=CN3)CC1	REAL300011220799	0	38	-2.0	-128.48	326.39	6.87	-121.61
O=C([O-])C1(C(=O)[O-])CCN(C2=C3SC=CC3=NC=N2)CC1	REAL300011220800	0	32	-2.0	-126.17	276.86	6.81	-119.36
CC1=CC(C)=NN1C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300011220801	0	42	-2.0	-128.89	344.28	8.23	-120.66
O=C([O-])C1(C(=O)[O-])CCN(C2=NN3C(=NN=C3C(F)(F)F)C=C2)CC1	REAL300011220802	0	35	-2.0	-120.85	310.68	8.47	-112.38
CC1=NN=C2C=CC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NN12	REAL300011220803	0	35	-2.0	-121.18	291.20	8.20	-112.98
O=C([O-])C1(C(=O)[O-])CCN(C2=C3C=NN(C4=CC=CC=C4)C3=NC=N2)CC1	REAL300011220804	0	42	-2.0	-126.04	346.97	9.97	-116.07
CC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011220805	0	36	-2.0	-117.44	294.94	7.73	-109.71
CN1N=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN=C21	REAL300011220806	0	35	-2.0	-123.55	289.58	6.48	-117.07
CN(C)C1=CC(C(F)(F)F)=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011220807	0	40	-2.0	-128.84	339.27	8.80	-120.04
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=NC3=CC=CC=C32)CC1	REAL300011220809	0	39	-2.0	-125.13	335.81	8.64	-116.49
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=NC=C3)=NC3=CC=CC=C32)CC1	REAL300011220810	0	44	-2.0	-133.17	366.56	9.65	-123.52
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=CC=C3N=C2)CC1	REAL300011220811	0	35	-2.0	-129.85	289.77	6.11	-123.74
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CC1	REAL300011220812	0	38	-2.0	-125.65	313.37	8.59	-117.06
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=CC=C3)=CS2)CC1	REAL300011220813	0	37	-2.0	-123.94	317.98	8.41	-115.53
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=C(F)C=C3)=CS2)CC1	REAL300011220814	0	37	-2.0	-121.94	324.38	8.48	-113.46
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC(C(F)(F)F)=N2)CC1	REAL300011220815	0	32	-2.0	-125.69	284.79	7.17	-118.52
CCC1=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN=C2S1	REAL300011220816	0	38	-2.0	-125.16	319.76	8.45	-116.71
CC1=NC2=CC=CC=C2N=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011220817	0	38	-2.0	-132.69	313.97	7.01	-125.68
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=NC3=CC(C(F)(F)F)=CC=C32)CC1	REAL300011220818	1	39	-2.0	-119.07	334.28	8.52	-110.55
CC1=CC=C([N+](=O)[O-])C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300011220819	0	36	-2.0	-130.13	302.32	9.21	-120.92
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C([N+](=O)[O-])C(C(F)(F)F)=C2)CC1	REAL300011220820	0	36	-2.0	-114.79	309.06	7.95	-106.84
CC1=CC([N+](=O)[O-])=CC=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011220821	0	36	-2.0	-119.93	303.18	8.61	-111.32
COC1=CC2=NC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NC(N)=C2C=C1OC	REAL300011220823	1	45	-2.0	-133.61	361.63	6.43	-127.18
CC1=CC2=CC=CC=C2N=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011220824	0	39	-2.0	-138.73	318.63	9.01	-129.72
CC(=O)C1=CC([N+](=O)[O-])=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300011220825	0	35	-2.0	-117.84	317.94	7.89	-109.95
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=CC=N2)CC1	REAL300011220826	0	33	-2.0	-124.65	287.81	6.97	-117.68
CC1=NN(C)C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300011220827	0	36	-2.0	-128.80	304.40	6.28	-122.52
CC(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011220828	0	38	-2.0	-127.52	321.95	8.99	-118.53
CC1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300011220829	0	36	-2.0	-129.88	302.26	9.20	-120.68
CC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC=C1[N+](=O)[O-]	REAL300011220830	0	35	-2.0	-121.96	293.04	7.12	-114.84
COC1=CC=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300011220831	0	37	-2.0	-131.23	314.56	7.00	-124.23
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=CC(C(F)(F)F)=N2)CC1	REAL300011220832	0	33	-2.0	-130.42	288.98	7.05	-123.37
COC1=CC(OC)=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011220833	0	37	-2.0	-122.71	309.45	3.39	-119.32
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=CC(C(F)(F)F)=N2)CC1	REAL300011220834	0	33	-2.0	-130.42	288.98	7.05	-123.37
CC1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300011220835	0	36	-2.0	-129.88	302.26	9.20	-120.68
CN(C)S(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300011220836	0	41	-2.0	-129.43	340.40	4.17	-125.26
CC(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300011220837	0	38	-2.0	-127.56	323.15	9.04	-118.52
CC1=CC=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300011220838	0	35	-2.0	-133.77	302.84	7.32	-126.45
COC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011220839	0	37	-2.0	-118.00	306.25	7.28	-110.72
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CC1	REAL300011220840	0	36	-2.0	-116.87	320.47	9.06	-107.81
O=C([O-])C1(C(=O)[O-])CCN(C2=C([N+](=O)[O-])C=CS2)CC1	REAL300011220841	0	30	-2.0	-124.54	274.85	7.31	-117.23
CCCC1=NC2=NC=NN2C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300011220842	0	41	-2.0	-125.26	327.77	12.36	-112.90
CC(C)C1=NC2=NC=NN2C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300011220843	0	41	-2.0	-125.04	326.10	12.14	-112.90
CCC1=NC2=NC=NN2C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300011220844	0	38	-2.0	-124.26	305.79	11.54	-112.72
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=NC3=NC=NN32)CC1	REAL300011220845	0	35	-2.0	-117.13	304.65	11.00	-106.13
CC1=NC2=NC(C(F)(F)F)=NN2C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300011220846	0	38	-2.0	-122.57	327.17	10.63	-111.94
CC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2C(CC(C)C)=CSC2=N1	REAL300011220847	0	47	-2.0	-130.10	381.34	10.38	-119.72
CCC(CC)NS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300011220848	0	50	-2.0	-129.62	397.56	5.48	-124.14
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(S(=O)(=O)NCC3CC3)C=N2)CC1	REAL300011220849	0	45	-2.0	-129.23	373.93	4.77	-124.46
CCCC(C)NS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300011220850	0	50	-2.0	-129.26	401.80	5.39	-123.87
CC(C)CCNS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300011220851	0	50	-2.0	-129.20	403.01	5.26	-123.94
O=C([O-])C1(C(=O)[O-])CCN(C2=NN3C(=NN=C3C3=CC=CC=C3)C=C2)CC1	REAL300011220852	0	42	-2.0	-124.43	347.49	11.25	-113.18
CC1=CC([N+](=O)[O-])=CN=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011220853	0	35	-2.0	-125.10	300.87	7.47	-117.63
CC1=CSC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN=C12	REAL300011220854	0	35	-2.0	-126.16	298.44	7.47	-118.69
CC1=CSC2=NC=NC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300011220855	0	35	-2.0	-126.68	301.89	8.48	-118.20
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=CC=C3N=C2N2CCOCC2)CC1	REAL300011220856	0	48	-2.0	-132.51	378.81	6.62	-125.89
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=CC=C3N=C2N2CCCCC2)CC1	REAL300011220857	0	50	-2.0	-133.02	378.95	10.84	-122.18
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=CC=C3N=C2N2CCCC2)CC1	REAL300011220858	0	47	-2.0	-135.50	373.51	7.72	-127.78
NS(=O)(=O)C1=CC=CN=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011220859	0	35	-2.0	-134.26	305.40	1.34	-132.92
NC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC=C1[N+](=O)[O-]	REAL300011220860	0	33	-2.0	-119.15	283.72	5.79	-113.36
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300011220861	0	36	-2.0	-119.08	307.15	5.88	-113.20
O=C([O-])C1(C(=O)[O-])CCN(C2=C3NC=NC3=NC(C(F)(F)F)=N2)CC1	REAL300011220862	0	35	-2.0	-127.17	307.37	6.92	-120.25
O=C([O-])C1(C(=O)[O-])CCN(C2=C3N=CNC3=NC(C(F)(F)F)=N2)CC1	REAL300011220862	1	35	-2.0	-132.18	308.87	7.09	-125.09
CC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(C(F)(F)F)=N1	REAL300011220863	0	35	-2.0	-120.11	305.23	6.71	-113.40
CC1=CC=C(N2N=NN=C2N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300011220864	0	39	-2.0	-121.00	320.40	8.84	-112.16
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=C([N+](=O)[O-])C=C3C=C2)CC1	REAL300011220865	0	38	-2.0	-127.49	322.73	8.78	-118.71
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CC1	REAL300011220866	0	36	-2.0	-122.22	319.56	9.53	-112.69
O=C([O-])C1(C(=O)[O-])CCN(C2=CN=CC(N3C=CC=N3)=N2)CC1	REAL300011220867	0	36	-2.0	-122.37	302.75	6.01	-116.36
COC1=CC=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C(C)N=C12	REAL300011220868	0	43	-2.0	-126.38	346.15	7.50	-118.88
CC1=CN=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300011220869	0	35	-2.0	-133.80	297.60	8.23	-125.57
CC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC(C2=CC=CN=C2)=N1	REAL300011220870	0	41	-2.0	-132.98	339.61	7.82	-125.16
CC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300011220871	0	44	-2.0	-126.90	372.82	10.29	-116.61
O=C([O-])C1(C(=O)[O-])CCN(C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)CC1	REAL300011220872	0	38	-2.0	-127.72	325.27	8.12	-119.60
CC1=NN(C2=CC=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=N2)C=C1	REAL300011220873	0	39	-2.0	-129.09	326.39	7.58	-121.51
NC1=CC=C([N+](=O)[O-])C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300011220874	0	35	-2.0	-132.25	295.92	6.42	-125.83
CC(=O)C1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011220875	0	38	-2.0	-117.27	319.01	7.53	-109.74
CC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2C=NN(C)C2=N1	REAL300011220876	0	38	-2.0	-124.39	311.43	6.45	-117.94
COC1=CC2=CC=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C2C=C1	REAL300011220877	0	40	-2.0	-132.03	324.08	7.41	-124.62
CC(C)COC1=CN=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011220878	0	42	-2.0	-123.94	339.01	5.12	-118.82
CC1=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN=C2C=C1	REAL300011220879	0	38	-2.0	-129.27	313.98	8.63	-120.64
CC1=NOC(C2=CC=CN=C2N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011220880	0	38	-2.0	-135.78	322.60	5.87	-129.91
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C([N+](=O)[O-])S2)CC1	REAL300011220881	0	30	-2.0	-117.19	273.83	6.60	-110.59
CN1C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC2=C1C(=O)NC(=O)N2C	REAL300011220882	0	40	-2.0	-120.16	326.61	5.81	-114.35
O=C([O-])C1(C(=O)[O-])CCN(C2=NN3C(=NN=C3C3=CC=CC=C3F)C=C2)CC1	REAL300011220883	0	42	-2.0	-125.23	351.20	11.42	-113.81
O=C([O-])C1(C(=O)[O-])CCN(C2=CN=CC(N3C=NC=N3)=N2)CC1	REAL300011220884	0	35	-2.0	-119.65	297.54	7.38	-112.27
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=NC=CN=C3C=C2)CC1	REAL300011220885	0	34	-2.0	-136.57	284.49	5.25	-131.32
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(N3C=CN=C3)N=N2)CC1	REAL300011220886	0	36	-2.0	-130.89	301.95	8.19	-122.70
NS(=O)(=O)C1=CN=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300011220887	0	32	-2.0	-126.42	296.32	-0.13	-126.55
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=CC(Cl)=C3)=NO2)CC1	REAL300011220888	0	36	-2.0	-119.08	323.93	6.39	-112.69
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=NNC=C3C(=O)N2)CC1	REAL300011220889	0	33	-2.0	-124.17	278.60	6.40	-117.77
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=C(C=NN3)C(=O)N2)CC1	REAL300011220889	1	33	-2.0	-115.11	278.28	6.21	-108.90
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=CC=C3)=NS2)CC1	REAL300011220890	0	36	-2.0	-119.28	314.88	8.10	-111.18
CC1=NN=C2C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NC=CN12	REAL300011220891	0	35	-2.0	-134.21	288.83	8.46	-125.75
CN1N=CC2=C1N=C(N1CCC(C(=O)[O-])(C(=O)[O-])CC1)NC2=O	REAL300011220892	0	36	-2.0	-116.27	301.26	7.42	-108.85
CN1C=NC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN=C21	REAL300011220893	0	35	-2.0	-134.49	290.86	8.34	-126.15
CCN1C=NC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN=C21	REAL300011220894	0	38	-2.0	-134.34	312.65	9.24	-125.10
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC(N3CCOCC3)=N2)CC1	REAL300011220895	1	42	-2.0	-130.15	332.03	6.17	-123.98
CNS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300011220898	0	38	-2.0	-130.04	321.41	2.36	-127.68
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=NC(C3=CC=CC=C3)=N2)CC1	REAL300011220899	0	39	-2.0	-131.03	322.96	9.01	-122.02
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=CN=C3)=NC3=C2CCC3)CC1	REAL300011220900	0	45	-2.0	-134.11	359.80	8.93	-125.18
CC1=NOC(C2=CC=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C2)=N1	REAL300011220901	0	38	-2.0	-125.40	317.02	5.56	-119.84
CC1=NC(C(C)(C)C)=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300011220902	0	47	-2.0	-131.99	366.88	9.07	-122.92
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC=C2S(=O)(=O)N2CCCCC2)CC1	REAL300011220903	0	48	-2.0	-136.00	367.70	6.74	-129.26
CCC1=NN=C2C=CC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NN21	REAL300011220904	0	38	-2.0	-121.54	312.66	8.83	-112.71
O=C([O-])C1(C(=O)[O-])CCN(C2=NN3C(=NN=C3C3CC3)C=C2)CC1	REAL300011220905	0	39	-2.0	-122.05	322.54	9.73	-112.32
COC1=CC=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CN=C12	REAL300011220906	0	40	-2.0	-125.82	324.58	6.89	-118.93
CCCOC1=CC=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CN=C12	REAL300011220908	0	46	-2.0	-124.46	361.06	8.13	-116.33
CC1=CC=C(C2=NC3=CC=CC=C3C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)S1	REAL300011220913	0	45	-2.0	-137.68	385.54	10.95	-126.73
CC1=CC=CC2=NC=NC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300011220914	0	38	-2.0	-128.61	307.30	10.10	-118.51
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CC1	REAL300011220915	0	36	-2.0	-116.87	320.47	9.06	-107.81
CCC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC(C2=CC=NC=C2)=N1	REAL300011220916	0	44	-2.0	-128.21	360.63	8.61	-119.60
CCC1=CC(=O)NC(C2=CC=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C2)=N1	REAL300011220917	0	45	-2.0	-127.62	364.31	7.46	-120.16
CC1=NC(C2=CC=NC=C2)=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300011220918	0	44	-2.0	-133.64	360.32	8.65	-124.99
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(OCC3=CC=CC=C3)=NC=N2)CC1	REAL300011220919	0	43	-2.0	-124.71	357.53	8.21	-116.50
CC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC(C2=CC=CC=N2)=N1	REAL300011220920	0	41	-2.0	-138.15	340.48	7.75	-130.40
CC1=NOC2=NC=NC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300011220921	0	34	-2.0	-119.55	290.68	4.64	-114.91
CC1=NC(C2=CC=CN=C2)=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300011220925	0	44	-2.0	-139.47	359.36	8.61	-130.86
CC1=NC(C2=CC=CC=N2)=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300011220926	0	44	-2.0	-144.29	360.23	8.55	-135.74
CC1=C(C)C(=O)NC(C2=CC=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C2)=N1	REAL300011220927	0	45	-2.0	-128.66	360.20	7.33	-121.33
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=CC=N3)=NC3=C2CCC3)CC1	REAL300011220928	0	45	-2.0	-142.89	367.42	8.89	-134.00
CC1=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN=C2S1	REAL300011220929	0	35	-2.0	-125.39	298.27	7.68	-117.71
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC(N3CCCC3)=N2)CC1	REAL300011220930	1	41	-2.0	-129.69	324.01	7.87	-121.82
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=NC(C3=CC=CN=C3)=N2)CC1	REAL300011220931	0	41	-2.0	-125.46	358.57	8.30	-117.16
CCOC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011220932	0	40	-2.0	-117.73	328.10	8.20	-109.53
CC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC(C2CC2)=N1	REAL300011220933	1	39	-2.0	-127.93	317.51	7.99	-119.94
CC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011220934	0	35	-2.0	-121.89	295.67	7.18	-114.71
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC([N+](=O)[O-])=CC=C3N2)CC1	REAL300011220935	0	36	-2.0	-126.06	309.94	8.15	-117.91
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(N3C=CN=C3)=NC=N2)CC1	REAL300011220936	0	36	-2.0	-123.41	301.94	9.22	-114.19
CC1=CC=C([N+](=O)[O-])C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011220937	0	35	-2.0	-135.68	297.77	8.19	-127.49
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=CC=C3C=C2CO)CC1	REAL300011220938	0	40	-2.0	-135.20	327.25	5.80	-129.40
CC1=CC=CC([N+](=O)[O-])=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011220939	0	36	-2.0	-131.12	289.58	8.79	-122.33
CC1=CC=C2OC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NC2=C1	REAL300011220940	0	36	-2.0	-125.69	299.75	4.93	-120.76
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(C(F)(F)F)N=N2)CC1	REAL300011220941	0	32	-2.0	-125.91	283.38	5.73	-120.18
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(C(F)(F)F)C=N2)CC1	REAL300011220942	0	33	-2.0	-122.45	283.76	7.21	-115.24
COC1=CC=C(C2=CC=NC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)C=C1	REAL300011220943	0	43	-2.0	-133.78	351.43	9.12	-124.66
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=CC=N2)CC1	REAL300011220945	0	33	-2.0	-124.65	287.81	6.97	-117.68
CC1=NN(C)C2=NC=CC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300011220946	0	39	-2.0	-121.54	318.68	7.11	-114.43
CC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC=C1[N+](=O)[O-]	REAL300011220947	0	34	-2.0	-119.08	289.76	7.30	-111.78
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=C(C=NN3C3=CC=CC=C3)C(=O)N2)CC1	REAL300011220948	0	43	-2.0	-118.50	358.51	10.94	-107.56
CC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300011220949	0	41	-2.0	-120.36	354.77	3.78	-116.58
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=NC=C2C2=CC=CC=C2)CC1	REAL300011220950	0	39	-2.0	-128.79	326.12	9.93	-118.86
CN1C2=CC=CC=C2N=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011220951	0	37	-2.0	-133.83	306.51	8.56	-125.27
O=C([O-])C1(C(=O)[O-])CCN(C2=CN=CC(C3=CC=CC=C3)=N2)CC1	REAL300011220952	0	39	-2.0	-126.73	318.99	7.38	-119.35
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=CC=C3C(=O)N2)CC1	REAL300011220953	0	36	-2.0	-120.23	298.22	8.74	-111.49
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=NC(C(F)(F)F)=C2)CC1	REAL300011220954	0	33	-2.0	-117.02	286.37	5.92	-111.10
O=C([O-])C1(C(=O)[O-])CCN(C2=C3SC=CC3=NC=C2)CC1	REAL300011220955	0	33	-2.0	-123.56	287.14	6.24	-117.32
CC1=CC(C(F)(F)F)=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011220956	0	35	-2.0	-125.87	306.48	7.81	-118.06
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C3C(=O)CCCC3=N2)CC1	REAL300011220957	0	39	-2.0	-127.11	313.40	7.51	-119.60
COC1=CC=CC2=NC=NC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300011220958	0	39	-2.0	-131.69	319.94	8.16	-123.53
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=CC(F)=C3S2)CC1	REAL300011220960	0	33	-2.0	-126.06	293.62	7.36	-118.70
CC1=C2SC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NC2=CC=C1	REAL300011220961	0	36	-2.0	-128.96	307.56	7.92	-121.04
O=C([O-])C1(C(=O)[O-])CCN(C2=C3N=CN(C4CC4)C3=NC=N2)CC1	REAL300011220962	0	39	-2.0	-133.38	320.10	9.72	-123.66
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=NC3=CC=NC=C32)CC1	REAL300011220963	0	35	-2.0	-121.28	290.36	5.69	-115.59
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=NC3=CN=CC=C32)CC1	REAL300011220964	0	34	-2.0	-123.84	287.69	6.17	-117.67
CC1=NN2N=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC2=N1	REAL300011220965	0	35	-2.0	-126.56	291.81	7.43	-119.13
CC1=NN2C=CN=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300011220966	0	36	-2.0	-124.50	293.97	7.14	-117.36
COC1=CC=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CC=C12	REAL300011220968	0	40	-2.0	-132.40	325.54	7.87	-124.53
COCC1=NN=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300011220969	0	33	-2.0	-124.75	291.19	3.67	-121.08
CC1=NC2=NC=NN2C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300011220970	0	38	-2.0	-126.97	310.08	10.96	-116.01
CC(C)OC1=CN=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011220971	0	39	-2.0	-123.48	317.54	4.56	-118.92
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=NC(C3=CC=NC=C3)=N2)CC1	REAL300011220972	0	41	-2.0	-121.41	358.04	8.23	-113.18
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=NC3=CC=C([N+](=O)[O-])C=C32)CC1	REAL300011220973	0	37	-2.0	-126.74	320.67	8.64	-118.10
O=C([O-])C1(C(=O)[O-])CCN(C2=NOC(C3=CC=CC=C3)=N2)CC1	REAL300011220975	0	36	-2.0	-127.14	307.41	7.22	-119.92
O=C([O-])C1(C(=O)[O-])CCN(C2=CN=CC(OCC3=CC=CC(Cl)=C3)=N2)CC1	REAL300011220976	0	43	-2.0	-125.24	374.06	7.20	-118.04
CC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC2=NN=CN21	REAL300011220977	0	35	-2.0	-129.51	291.99	9.78	-119.73
COCCC1=NSC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011220978	0	36	-2.0	-115.76	311.96	4.56	-111.20
CC(C)(C)C1=CC=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011220979	0	41	-2.0	-130.41	324.48	8.78	-121.63
CC1=CSC2=NC(C)=NC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300011220980	0	38	-2.0	-125.76	319.84	8.69	-117.07
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=NC3=CN=CC=C32)CC1	REAL300011220981	0	35	-2.0	-119.11	290.43	5.70	-113.41
CN1N=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CN=C21	REAL300011220982	0	36	-2.0	-120.91	294.21	5.60	-115.31
CS(=O)(=O)C1=CC=CN=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011220983	0	36	-2.0	-134.76	308.39	4.24	-130.52
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C(F)(F)F)=NS2)CC1	REAL300011220984	0	29	-2.0	-111.54	275.91	5.26	-106.28
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=C(C(F)F)C=N2)CC1	REAL300011220985	0	32	-2.0	-125.48	279.16	7.09	-118.39
COCC1=CC([N+](=O)[O-])=CC=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011220987	0	40	-2.0	-117.39	335.42	7.63	-109.76
CC(C)(C)C1=NC=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011220988	0	41	-2.0	-122.81	324.13	7.40	-115.41
O=C([O-])C1(C(=O)[O-])CCN(C2=CN=CC(SCC3=CC=CC=C3)=N2)CC1	REAL300011220989	0	43	-2.0	-126.02	368.23	9.12	-116.90
CC(C)(C)C1=NSC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011220990	0	38	-2.0	-117.43	317.55	6.66	-110.77
COCC1=NC(C)=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011220991	0	39	-2.0	-129.48	320.62	5.29	-124.19
COC1=CC=CC(C2=NOC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)=C1	REAL300011220992	0	40	-2.0	-121.81	336.68	5.18	-116.63
CNC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC2=CC=CC=C21	REAL300011220993	0	40	-2.0	-138.06	325.04	8.37	-129.69
O=C([O-])C1(C(=O)[O-])CCN(C2=C([N+](=O)[O-])C=CC3=C2CCN3)CC1	REAL300011220994	0	39	-2.0	-132.66	312.38	7.39	-125.27
NC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC2=CC=CC=C12	REAL300011220995	0	37	-2.0	-135.34	303.09	7.19	-128.15
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=NC3=C2CCCC3)CC1	REAL300011220996	0	39	-2.0	-126.74	308.28	8.54	-118.20
CC1=NC2=CC=C([N+](=O)[O-])C=C2C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300011220997	1	41	-2.0	-124.15	345.01	8.81	-115.34
CN(C)C1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC2=CC=CC=C21	REAL300011220998	0	43	-2.0	-134.09	347.62	8.88	-125.21
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=NC(N3CCCCC3)=N2)CC1	REAL300011220999	1	44	-2.0	-128.75	340.89	8.62	-120.13
CC(C)(C)C1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC(C(C)(C)C)=N1	REAL300011221000	0	53	-2.0	-127.89	405.07	10.26	-117.63
COC1=NC(N2CCCCCC2)=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221001	0	50	-2.0	-127.54	381.01	7.79	-119.75
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=NC3=C([N+](=O)[O-])C=CC=C23)CC1	REAL300011221002	0	38	-2.0	-121.24	314.53	8.09	-113.15
NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221003	0	38	-2.0	-121.13	335.94	3.12	-118.01
CC1=NN=C2C3=C(C=CC=C3)C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NN12	REAL300011221004	0	41	-2.0	-122.75	332.65	10.16	-112.59
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=C([N+](=O)[O-])C=C2C(F)(F)F)CC1	REAL300011221005	0	35	-2.0	-120.70	318.14	7.94	-112.76
CN1CCN(C2=NC3=CC=CC=C3N=C2N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300011221006	0	52	-2.0	-133.19	404.11	6.47	-126.72
CC1CCN(C2=NC3=CC=CC=C3N=C2N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300011221007	0	53	-2.0	-135.13	413.35	9.12	-126.01
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=NC3=C2C2=C(C=CC=C2)N3)CC1	REAL300011221009	0	39	-2.0	-131.48	325.58	8.66	-122.82
O=C([O-])C1(C(=O)[O-])CCN(C2=C3C(=NC4=C3C=CC=C4)NC=N2)CC1	REAL300011221009	1	39	-2.0	-137.63	326.79	9.95	-127.68
CC(C)NS(=O)(=O)C1=CC=CN=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221010	0	44	-2.0	-134.95	366.64	4.05	-130.90
O=C([O-])C1(C(=O)[O-])CCN(C2=NN3C(=NN=C3C(F)F)C=C2)CC1	REAL300011221011	0	35	-2.0	-124.25	304.32	8.36	-115.89
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=NC(CC3=CC=CC=C3)=N2)CC1	REAL300011221012	0	42	-2.0	-129.43	346.68	9.32	-120.11
CC(C)C1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(C(C)(C)C)=N1	REAL300011221015	0	50	-2.0	-126.86	386.44	9.49	-117.37
CC(C)C1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC(C(C)C)=N1	REAL300011221016	0	47	-2.0	-126.65	367.12	8.75	-117.90
COC1=CC([N+](=O)[O-])=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300011221017	0	41	-2.0	-125.90	339.59	7.74	-118.16
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C(F)(F)F)=CS2)CC1	REAL300011221018	0	30	-2.0	-118.51	279.46	5.62	-112.89
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC(OC3=CC=CC=C3)=N2)CC1	REAL300011221019	0	40	-2.0	-127.62	336.71	8.35	-119.27
COCC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC(C(C)(C)C)=N1	REAL300011221020	0	48	-2.0	-128.22	378.69	7.48	-120.74
COC1=CC2=NC=C([N+](=O)[O-])C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2C=C1	REAL300011221021	0	42	-2.0	-122.13	340.55	7.75	-114.38
NC1=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=CN=C1N1C=CC=N1	REAL300011221022	0	38	-2.0	-128.05	317.89	6.47	-121.58
O=C([O-])C1(C(=O)[O-])CCN(C2=NN=C(C3=CC=CC=N3)S2)CC1	REAL300011221023	0	35	-2.0	-128.79	311.14	5.76	-123.03
O=C([O-])C1(C(=O)[O-])CCN(C2=NN=C(C(F)F)S2)CC1	REAL300011221024	0	29	-2.0	-122.01	270.27	4.89	-117.12
O=C([O-])C1(C(=O)[O-])CCN(C2=NN=C(C3=NOC=C3)S2)CC1	REAL300011221025	0	32	-2.0	-126.87	291.85	4.84	-122.03
COC1=CC=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C(C)=CN=C12	REAL300011221026	0	43	-2.0	-129.19	334.56	7.18	-122.01
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=NC3=CC=CC([N+](=O)[O-])=C32)CC1	REAL300011221027	0	37	-2.0	-139.69	312.70	10.24	-129.45
CC1=NC2=C(CCCC2)C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221028	1	42	-2.0	-129.61	330.77	8.32	-121.29
CC1=CC=C(C2=NOC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)C=C1	REAL300011221029	0	39	-2.0	-120.19	328.60	6.55	-113.64
COC1=CC=C(C2=NOC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)C=C1	REAL300011221030	0	40	-2.0	-118.21	336.60	5.21	-113.00
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(S(=O)(=O)N3CCCC3)=CC=N2)CC1	REAL300011221031	0	45	-2.0	-130.24	370.78	5.09	-125.15
CC1=NC2=C([N+](=O)[O-])C=CC=C2C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300011221032	0	41	-2.0	-122.85	336.14	8.70	-114.15
CC1=C(S(N)(=O)=O)SC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221033	0	35	-2.0	-126.23	313.89	0.48	-125.75
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC3=CC(C(F)(F)F)=CC=C32)CC1	REAL300011221034	0	39	-2.0	-129.44	336.05	9.32	-120.12
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(CN3CCOCC3)=CC=C2[N+](=O)[O-])CC1	REAL300011221035	0	49	-2.0	-131.81	389.68	7.64	-124.17
CCOC1=CC=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300011221037	0	40	-2.0	-131.11	336.42	7.93	-123.18
CC(C)OC1=CC=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221039	0	40	-2.0	-129.35	322.66	6.50	-122.85
CN(C1=CC=CC=C1)C1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC=N1	REAL300011221040	0	44	-2.0	-125.61	356.96	9.97	-115.64
CC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300011221041	0	39	-2.0	-121.96	335.25	10.05	-111.91
CC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011221043	0	36	-2.0	-117.44	294.94	7.73	-109.71
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=C(C3=CC=CC=C3)S2)CC1	REAL300011221044	0	37	-2.0	-126.67	317.71	8.58	-118.09
CCC(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300011221045	0	41	-2.0	-127.02	343.46	9.83	-117.19
CC(C)OC1=NC=CN=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221046	0	39	-2.0	-130.68	314.98	4.71	-125.97
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=CC=C3C=C2[N+](=O)[O-])CC1	REAL300011221047	0	38	-2.0	-140.60	324.43	9.67	-130.93
NS(=O)(=O)C1=CC=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300011221048	0	38	-2.0	-129.14	335.16	3.19	-125.95
CC1=CC2=CC=CC=C2C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221049	1	39	-2.0	-135.58	319.07	8.95	-126.63
O=C([O-])C1(C(=O)[O-])CCN(C2=CN=CC(OC3CCCCC3)=N2)CC1	REAL300011221051	0	46	-2.0	-126.28	359.16	6.48	-119.80
CCC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2C=CSC2=N1	REAL300011221052	0	38	-2.0	-126.58	319.77	7.45	-119.13
CCOC1=C2C=CC=CC2=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300011221053	0	42	-2.0	-136.05	346.06	6.45	-129.60
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC3=C([N+](=O)[O-])C=CC=C32)CC1	REAL300011221054	0	38	-2.0	-127.80	322.75	8.89	-118.91
O=C([O-])C1(C(=O)[O-])CCN(C2=NN3C(=NN=C3C3=CSC=C3)C=C2)CC1	REAL300011221055	0	39	-2.0	-123.33	338.67	10.18	-113.15
CC(C)(C)C1=NN=C2C=CC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NN21	REAL300011221056	0	44	-2.0	-121.52	350.97	9.88	-111.64
CC(C)(C)N1N=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN=C21	REAL300011221057	0	44	-2.0	-123.75	344.36	8.75	-115.00
CC1CC1C1=NN=C2C=CC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NN21	REAL300011221058	0	42	-2.0	-122.63	341.03	10.25	-112.38
COC1=CC2=NC(C)=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C2C=C1	REAL300011221059	0	42	-2.0	-129.92	343.34	6.31	-123.61
CC(C)OC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC=N1	REAL300011221060	0	39	-2.0	-123.79	317.75	6.06	-117.73
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=NC=C2[N+](=O)[O-])CC1	REAL300011221061	0	35	-2.0	-119.88	315.95	7.71	-112.17
CC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC(C2=CC=CS2)=N1	REAL300011221062	0	39	-2.0	-131.36	336.30	8.47	-122.89
COCC1=NSC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221063	0	33	-2.0	-118.29	290.46	3.85	-114.44
CCC1=NN(C)C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300011221064	0	39	-2.0	-127.86	325.64	7.08	-120.78
CCN1N=C(C)C([N+](=O)[O-])=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221065	0	39	-2.0	-127.63	326.14	7.18	-120.45
CS(=O)(=O)C1=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN=C2C=C1	REAL300011221066	0	41	-2.0	-134.65	353.13	5.50	-129.15
O=C([O-])C1(C(=O)[O-])CCN(C2=C3C=C([N+](=O)[O-])SC3=NC=N2)CC1	REAL300011221067	0	34	-2.0	-120.08	306.28	7.71	-112.37
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221068	0	39	-2.0	-121.55	338.27	5.95	-115.60
NC1=NC2=NC=NC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2C=C1	REAL300011221069	0	36	-2.0	-129.72	302.65	5.79	-123.93
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3CCCC3)=NS2)CC1	REAL300011221071	0	39	-2.0	-117.14	321.52	7.26	-109.88
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3CCCCC3)=NS2)CC1	REAL300011221072	0	42	-2.0	-116.79	340.30	7.92	-108.87
CC(C)C1=NC(N(C)C)=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221073	0	45	-2.0	-127.67	360.42	11.08	-116.59
O=C([O-])C1(C(=O)[O-])CCN(C2=CN=CC(OCC3CCCC3)=N2)CC1	REAL300011221075	0	46	-2.0	-124.39	363.48	6.36	-118.03
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C([N+](=O)[O-])C(C3=CC=CC=C3)=N2)CC1	REAL300011221076	0	42	-2.0	-126.51	352.31	10.11	-116.40
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC(C3=CN=CC=N3)=N2)CC1	REAL300011221077	0	37	-2.0	-131.51	314.25	6.41	-125.10
COCC1=NC(OC)=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221078	0	40	-2.0	-126.94	331.26	3.14	-123.80
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC3=CC=C([N+](=O)[O-])C=C32)CC1	REAL300011221079	0	38	-2.0	-136.59	325.52	9.01	-127.58
CC1=C(C)C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN2C1=NN=C2C(F)(F)F	REAL300011221080	0	41	-2.0	-120.68	343.80	9.32	-111.36
CS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300011221081	0	36	-2.0	-133.96	305.49	3.71	-130.25
CCC1=CC(CC)=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221082	0	41	-2.0	-131.78	329.84	8.97	-122.81
CC(C)(C)OC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011221083	0	46	-2.0	-119.21	356.86	9.08	-110.13
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=NC3=C2C2=C(C=CC=C2)S3)CC1	REAL300011221084	0	38	-2.0	-128.57	327.84	10.04	-118.53
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC3=CC([N+](=O)[O-])=CC=C32)CC1	REAL300011221086	0	38	-2.0	-128.22	325.53	9.00	-119.22
CCN1C(C)=NC([N+](=O)[O-])=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221087	0	39	-2.0	-122.32	316.52	8.87	-113.45
CCC1=NN=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1CC	REAL300011221090	0	40	-2.0	-130.96	320.13	7.41	-123.55
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=C([N+](=O)[O-])C=C3C(=O)N2)CC1	REAL300011221091	0	38	-2.0	-114.57	326.38	9.41	-105.16
CC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300011221092	0	39	-2.0	-116.83	336.47	9.58	-107.25
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C([N+](=O)[O-])C3=CN=CC=C32)CC1	REAL300011221093	0	38	-2.0	-115.52	320.22	8.16	-107.36
CS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300011221094	0	37	-2.0	-128.80	311.45	4.07	-124.73
CS(=O)(=O)C1=CC=CC=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221095	0	37	-2.0	-129.15	309.98	5.27	-123.88
CC1=CN2N=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)SC2=N1	REAL300011221096	0	33	-2.0	-116.78	289.93	7.69	-109.09
CC1=CC(=O)N2N=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)SC2=N1	REAL300011221097	0	35	-2.0	-122.76	310.03	7.04	-115.72
O=C([O-])C1(C(=O)[O-])CCN(C2=NN3C=C(C4=CC=CC=C4)N=C3S2)CC1	REAL300011221098	0	40	-2.0	-118.12	347.42	10.67	-107.45
O=C([O-])C1(C(=O)[O-])CCN(C2=NN3C=C(C4=CC=C(F)C=C4)N=C3S2)CC1	REAL300011221099	0	40	-2.0	-116.31	353.82	10.74	-105.57
NS(=O)(=O)C1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1	REAL300011221100	0	38	-2.0	-128.10	333.18	2.15	-125.95
CC1=NC([N+](=O)[O-])=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N1C	REAL300011221101	0	36	-2.0	-121.48	299.95	8.19	-113.29
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=C([N+](=O)[O-])C=C3S2)CC1	REAL300011221102	0	35	-2.0	-119.73	315.40	7.95	-111.78
NS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)(F)F)=C1	REAL300011221103	0	39	-2.0	-127.03	346.48	3.34	-123.69
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=CC=C3S2)CC1	REAL300011221104	0	33	-2.0	-128.29	287.20	7.29	-121.00
NS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300011221105	0	39	-2.0	-123.27	329.16	2.78	-120.49
COC1=CC=C([N+](=O)[O-])C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300011221106	0	37	-2.0	-132.35	310.37	7.83	-124.52
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=CC=C3N=C2)CC1	REAL300011221107	0	35	-2.0	-129.85	289.77	6.11	-123.74
CC1=NC2=CC=CC=C2N=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221108	0	38	-2.0	-132.69	313.97	7.01	-125.68
NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221109	0	38	-2.0	-121.13	335.94	3.12	-118.01
CC(=O)C1=CC=C(S(C)(=O)=O)C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300011221110	0	42	-2.0	-143.88	351.12	5.71	-138.17
CC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC=C1[N+](=O)[O-]	REAL300011221111	0	35	-2.0	-121.96	293.04	7.12	-114.84
CC(C)(C)S(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300011221112	0	45	-2.0	-129.69	364.52	4.18	-125.51
CC1=CC2=CC=CC=C2N=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221113	0	39	-2.0	-138.73	318.63	9.01	-129.72
CC(C)(C)C1=NN=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300011221114	0	38	-2.0	-125.61	318.06	6.47	-119.14
NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221115	0	38	-2.0	-133.16	336.00	3.12	-130.04
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CC1	REAL300011221116	0	36	-2.0	-122.22	319.56	9.53	-112.69
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(C(F)(F)F)N=N2)CC1	REAL300011221117	0	32	-2.0	-125.91	283.38	5.73	-120.18
CC1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300011221118	0	36	-2.0	-129.88	302.26	9.20	-120.68
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC=C2C(F)(F)F)CC1	REAL300011221119	0	33	-2.0	-131.50	289.79	7.32	-124.18
O=C([O-])C1(C(=O)[O-])CCN(C2=NN=C(C3=CC=CC=C3)S2)CC1	REAL300011221120	0	36	-2.0	-126.98	315.56	7.60	-119.38
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=CC=C3)=NS2)CC1	REAL300011221121	0	36	-2.0	-119.28	314.88	8.10	-111.18
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C(F)(F)F)=CS2)CC1	REAL300011221122	0	30	-2.0	-118.51	279.46	5.62	-112.89
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=C(C3=CC=CC=C3)S2)CC1	REAL300011221123	0	37	-2.0	-126.67	317.71	8.58	-118.09
O=C([O-])C1(C(=O)[O-])CCN(C2=NN3C=C(C4=CC=CN=C4)N=C3S2)CC1	REAL300011221124	0	39	-2.0	-117.85	342.42	8.88	-108.97
CC(C)(C)C1=NC=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221125	0	41	-2.0	-122.81	324.13	7.40	-115.41
O=C([O-])C1(C(=O)[O-])CCN(C2=NN=C(CC3=CC=CC=C3)S2)CC1	REAL300011221126	0	39	-2.0	-125.19	338.93	8.39	-116.80
O=C([O-])C1(C(=O)[O-])CCN(C2=NN=C(CC3=CC=C(F)C=C3)S2)CC1	REAL300011221127	0	39	-2.0	-125.30	345.34	8.46	-116.84
O=C([O-])C1(C(=O)[O-])CCN(C2=NN=C(C(F)(F)F)S2)CC1	REAL300011221128	0	29	-2.0	-117.31	276.97	5.03	-112.28
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(C(F)(F)F)C=N2)CC1	REAL300011221129	0	33	-2.0	-122.45	283.76	7.21	-115.24
O=C([O-])C1(C(=O)[O-])CCN(C2=NN=C(CC3=CC=C(Cl)C=C3)S2)CC1	REAL300011221130	0	39	-2.0	-124.88	355.66	8.91	-115.97
CC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011221131	0	35	-2.0	-121.89	295.67	7.18	-114.71
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=C([N+](=O)[O-])S2)CC1	REAL300011221132	0	29	-2.0	-116.27	270.07	5.73	-110.54
CCS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300011221133	0	40	-2.0	-127.55	332.91	4.99	-122.56
CCS(=O)(=O)C1=CC=CC=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221134	0	40	-2.0	-129.00	331.51	6.17	-122.83
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=C(C(F)(F)F)S2)CC1	REAL300011221135	0	30	-2.0	-118.89	280.38	6.04	-112.85
CC1=CC=CC([N+](=O)[O-])=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221136	0	36	-2.0	-131.12	289.58	8.79	-122.33
CN1N=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN=C21	REAL300011221137	0	35	-2.0	-123.55	289.58	6.48	-117.07
CCC(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(S(N)(=O)=O)=C1	REAL300011221138	0	44	-2.0	-127.98	370.30	3.74	-124.24
O=C([O-])C1(C(=O)[O-])CCN(C2=C3SC=CC3=NC=N2)CC1	REAL300011221139	0	32	-2.0	-126.17	276.86	6.81	-119.36
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(C(F)(F)F)=CC=N2)CC1	REAL300011221140	0	33	-2.0	-124.65	287.81	6.97	-117.68
CS(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)(F)F)=C1	REAL300011221141	0	40	-2.0	-130.10	352.95	5.91	-124.19
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=CC(C(F)(F)F)=N2)CC1	REAL300011221142	0	33	-2.0	-130.42	288.98	7.05	-123.37
CC(=O)C1=CC=C([N+](=O)[O-])C=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221143	0	38	-2.0	-145.48	323.48	9.06	-136.42
CC1=CC=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300011221144	0	36	-2.0	-129.74	305.03	8.39	-121.35
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C(F)(F)F)=CS2)CC1	REAL300011221145	0	30	-2.0	-118.51	279.46	5.62	-112.89
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221146	0	39	-2.0	-121.55	338.27	5.95	-115.60
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(C(F)(F)F)N=N2)CC1	REAL300011221147	0	32	-2.0	-125.91	283.38	5.73	-120.18
CC(=O)C1=C(C)SC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221148	0	35	-2.0	-118.36	300.57	6.14	-112.22
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=C([N+](=O)[O-])C=C3)=CS2)CC1	REAL300011221149	0	39	-2.0	-122.57	346.18	9.07	-113.50
COC1=CC=C(C2=NN=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)S2)C=C1	REAL300011221150	0	40	-2.0	-126.86	345.02	6.90	-119.96
O=C([O-])C1(C(=O)[O-])CCN(C2=CN=CC(OCCO)=N2)CC1	REAL300011221151	0	37	-2.0	-126.80	308.79	0.53	-126.27
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=NC3=CC=CC(F)=C32)CC1	REAL300011221152	0	35	-2.0	-131.94	297.07	8.59	-123.35
N#CC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Cl	REAL300011221153	0	31	-2.0	-127.14	284.86	6.66	-120.48
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=NC=C2Br)CC1	REAL300011221154	0	29	-2.0	-124.07	267.76	6.40	-117.67
COC1=NC=C(Cl)C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221155	0	33	-2.0	-129.30	295.52	2.94	-126.36
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC(Cl)=CC=C3N2)CC1	REAL300011221156	0	34	-2.0	-125.92	298.52	7.99	-117.93
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=CC=C(Cl)C=C3N2)CC1	REAL300011221156	1	34	-2.0	-122.77	294.65	8.26	-114.51
CC1=CC=C2NC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NC2=C1	REAL300011221157	0	37	-2.0	-128.90	303.18	8.15	-120.75
CC1=CC=C2N=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=C1	REAL300011221157	1	37	-2.0	-127.20	299.31	8.40	-118.80
O=C([O-])C1(C(=O)[O-])CCN(C2=C3C(C4=CC=CS4)=CSC3=NC=N2)CC1	REAL300011221158	0	39	-2.0	-129.08	344.36	10.79	-118.29
CCC1=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C(C)N=C2S1	REAL300011221159	0	41	-2.0	-126.29	341.57	8.40	-117.89
CC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC2=CC=CC=C12	REAL300011221160	0	38	-2.0	-137.82	309.45	8.83	-128.99
CC(C)(C)C1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC=N1	REAL300011221161	0	41	-2.0	-124.86	323.07	8.36	-116.50
CC(C)(C)N1N=CC2=C1N=C(N1CCC(C(=O)[O-])(C(=O)[O-])CC1)NC2=O	REAL300011221162	0	45	-2.0	-116.83	359.70	9.49	-107.34
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC3=NC=CN=C32)CC1	REAL300011221163	0	34	-2.0	-133.52	282.12	4.98	-128.54
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC3=C2N=CNC3=O)CC1	REAL300011221164	0	35	-2.0	-134.64	292.11	5.47	-129.17
CC1=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CC=C2C=C1	REAL300011221165	0	39	-2.0	-135.10	318.85	8.99	-126.11
CC1=CC=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CC=C12	REAL300011221166	0	39	-2.0	-134.19	315.43	8.87	-125.32
CCCCC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC=N1	REAL300011221167	0	41	-2.0	-124.75	328.98	8.72	-116.03
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(OC(F)F)C=N2)CC1	REAL300011221168	0	34	-2.0	-130.12	284.01	5.72	-124.40
CC1=CC=CC2=CC=NC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300011221169	0	39	-2.0	-133.72	312.01	10.49	-123.23
O=C([O-])C1(C(=O)[O-])CCN(C2=NC3=NC=CC=C3C=N2)CC1	REAL300011221170	0	34	-2.0	-138.20	286.01	7.41	-130.79
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C([N+](=O)[O-])C(OC(F)F)=C2)CC1	REAL300011221171	0	37	-2.0	-119.73	316.00	7.57	-112.16
COC1=CC=C(C2=NC=CC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)C=C1	REAL300011221172	0	43	-2.0	-129.65	352.43	8.29	-121.36
O=C([O-])C1(C(=O)[O-])CCN(C2=C3C=CSC3=NC(C3=CC=CC=N3)=N2)CC1	REAL300011221173	0	41	-2.0	-138.19	351.73	8.28	-129.91
CCOC1=CC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC(C)=N1	REAL300011221174	0	39	-2.0	-124.02	319.46	5.10	-118.92
CC1=C(Cl)C=CC2=CC=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C12	REAL300011221175	0	39	-2.0	-132.85	328.68	9.37	-123.48
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC(N3CC4=CC=CC=C4C3)=N2)CC1	REAL300011221176	1	45	-2.0	-130.10	363.03	9.75	-120.35
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(C3=CC=CC=C3)=NC3=CC=NN32)CC1	REAL300011221177	0	43	-2.0	-127.52	357.62	11.14	-116.38
O=C([O-])C1(C(=O)[O-])CCN(C2=NC(C3=CC=CC([N+](=O)[O-])=C3)=CS2)CC1	REAL300011221178	0	39	-2.0	-120.91	346.11	9.07	-111.84
O=C([O-])C1(C(=O)[O-])CCN(C2=CC(C3CC3)=NC(C3CC3)=N2)CC1	REAL300011221179	0	43	-2.0	-127.55	345.83	9.42	-118.13
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=NC(CSC3=CC=CC=C3)=N2)CC1	REAL300011221181	0	43	-2.0	-130.91	365.48	9.77	-121.14
CC1=CC(C(C)C)=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221182	0	41	-2.0	-130.96	326.88	8.62	-122.34
CN1N=CC=C1C1=CC=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300011221183	0	39	-2.0	-130.62	320.81	7.16	-123.46
CC1=CC([N+](=O)[O-])=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1S(N)(=O)=O	REAL300011221185	0	41	-2.0	-139.91	350.49	4.24	-135.67
CC(C)C1=CC2=C(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN=C2C=C1	REAL300011221186	0	44	-2.0	-129.03	352.58	9.88	-119.15
COC1=C(C)N=C(C2CC2)N=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221187	0	43	-2.0	-129.30	347.24	7.74	-121.56
NS(=O)(=O)C1=CC=C2NC(N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NC2=C1	REAL300011221188	0	39	-2.0	-131.40	335.89	2.44	-128.96
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(S(=O)(=O)N3CCCC3)C=C2)CC1	REAL300011221189	0	46	-2.0	-125.40	373.22	5.66	-119.74
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CN=C2C2=CC=CC=C2)CC1	REAL300011221190	0	39	-2.0	-130.15	324.26	8.84	-121.31
CN(C)S(=O)(=O)C1=CC=CC=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221191	0	42	-2.0	-127.94	338.35	6.25	-121.69
O=C([O-])C1(C(=O)[O-])CCN(C2=C3SC=CC3=NC=C2)CC1	REAL300011221192	0	33	-2.0	-123.56	287.14	6.24	-117.32
CNS(=O)(=O)C1=CC=CC=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221193	0	39	-2.0	-128.75	330.22	3.69	-125.06
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(S(=O)(=O)N3CCOCC3)C=C2)CC1	REAL300011221194	0	47	-2.0	-127.30	379.12	4.11	-123.19
O=C([O-])C1(C(=O)[O-])CCN(C2=C3C=CSC3=CC=N2)CC1	REAL300011221195	0	33	-2.0	-130.85	289.17	7.10	-123.75
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=C(C(F)(F)F)N=C2)CC1	REAL300011221196	0	33	-2.0	-120.45	286.31	5.85	-114.60
O=C([O-])C1(C(=O)[O-])CCN(C2=CC=CN=C2C(F)(F)F)CC1	REAL300011221197	0	33	-2.0	-123.19	277.82	6.49	-116.70
O=C([O-])C1(C(=O)[O-])CCN(C2=NN=NN2CC2=CC=CC=C2)CC1	REAL300011221198	0	39	-2.0	-123.01	331.69	8.06	-114.95
CC1=CC(C(F)(F)F)=CN=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221199	0	36	-2.0	-127.29	311.64	7.81	-119.48
C=CCNS(=O)(=O)C1=CC=CC=C1N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300011221200	0	43	-2.0	-128.44	364.02	5.08	-123.36
CC(C)N(C)S(=O)(=O)C1=CC=C(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300011221201	0	48	-2.0	-124.94	384.73	5.92	-119.02
O=C([O-])C1(C(=O)[O-])CCN(C2=NC=CC3=CC=CC=C32)CC1	REAL300011221202	0	36	-2.0	-134.46	297.50	8.33	-126.13
CCOC1=NC(N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC=C1C	REAL300011221203	0	39	-2.0	-126.83	319.31	6.39	-120.44
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(CC(=O)[O-])C3)N=C2)=N1	REAL300011221305	1	42	-2.0	-91.33	342.89	5.81	-85.52
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@@H]3C=CC[C@@H](C(=O)[O-])C3)N=C2)=N1	REAL300011221799	1	43	-2.0	-93.63	352.82	6.45	-87.18
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCN4N=CC(C(=O)[O-])=C4C3)N=C2)=N1	REAL300011222508	1	43	-2.0	-102.40	360.52	4.91	-97.49
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3CC[C@@H](CC(=O)[O-])C3)N=C2)=N1	REAL300011223081	1	45	-2.0	-94.29	365.90	6.61	-87.68
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3CCO[C@H](C(=O)[O-])C3)N=C2)=N1	REAL300011223878	1	43	-2.0	-95.00	351.41	5.18	-89.82
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3CC(CC(=O)[O-])C3)N=C2)=N1	REAL300011224365	1	45	-2.0	-95.90	370.87	6.67	-89.23
CCN(CC1CCC(C(=O)[O-])CC1)C1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300011224850	1	54	-2.0	-105.25	418.68	9.64	-95.61
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)[C@@H](C)C(=O)[O-])N=C2)=N1	REAL300011225804	1	38	-2.0	-96.83	315.09	5.94	-90.89
CCN(C1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1)C(C)C(=O)[O-]	REAL300011226700	1	41	-2.0	-96.54	333.35	6.57	-89.97
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C(=O)[O-])C4(C3)CCOCC4)N=C2)=N1	REAL300011227432	1	50	-2.0	-96.95	387.76	5.19	-91.76
COCC1(C(=O)[O-])CCN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)CC1	REAL300011228119	1	49	-2.0	-94.87	386.59	5.30	-89.57
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(CC(F)F)(C(=O)[O-])CC3)N=C2)=N1	REAL300011229266	1	48	-2.0	-92.17	379.11	6.88	-85.29
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCC3=CN(CC(=O)[O-])N=N3)N=C2)=N1	REAL300011231901	1	44	-2.0	-100.38	380.64	4.49	-95.89
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C(=O)[O-])C3CCOC3)N=C2)=N1	REAL300011234181	1	46	-2.0	-94.43	372.15	4.71	-89.72
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCC(C)C(=O)[O-])N=C2)=N1	REAL300011235439	1	41	-2.0	-93.78	342.70	5.33	-88.45
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC[C@H]3CC(=O)[O-])N=C2)=N1	REAL300011236686	1	42	-2.0	-111.67	332.63	5.23	-106.44
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC[C@@H]3CC(=O)[O-])N=C2)=N1	REAL300011236853	1	42	-2.0	-99.37	345.05	5.95	-93.42
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C(=O)[O-])C4(CCC4)C3)N=C2)=N1	REAL300011237363	1	46	-2.0	-97.27	367.35	6.62	-90.65
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC3C3=NC=C(C(=O)[O-])C=N3)N=C2)=N1	REAL300011237753	1	47	-2.0	-110.68	388.53	5.48	-105.20
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CCOC(C)(C(=O)[O-])C3)N=C2)=N1	REAL300011238710	1	46	-2.0	-95.39	368.15	5.26	-90.13
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@@H]3CCC[C@H]3CC(=O)[O-])N=C2)=N1	REAL300011241005	1	45	-2.0	-94.89	366.14	6.55	-88.34
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(N4C=CC(C(=O)[O-])=N4)CC3)N=C2)=N1	REAL300011241331	1	49	-2.0	-101.53	402.47	6.61	-94.92
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC(C)CC(=O)[O-])N=C2)=N1	REAL300011241794	1	41	-2.0	-92.30	339.41	5.38	-86.92
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CCOC3)N=C2)=N1	REAL300011242003	1	43	-2.0	-97.01	351.67	4.04	-92.97
O=C([O-])C1=C(NCC([O-])(C(F)(F)F)C(F)(F)F)C2=CC=CC=C2N=N1	REAL300011242418	1	32	-2.0	-101.18	288.87	3.82	-97.36
O=C([O-])C1=CC(NCC([O-])(C(F)(F)F)C(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300011242419	1	30	-2.0	-96.12	295.18	5.30	-90.82
CC1=C(C(=O)[O-])SC2=NC=NC(NCC([O-])(C(F)(F)F)C(F)(F)F)=C12	REAL300011242420	1	32	-2.0	-88.11	303.24	5.39	-82.72
NS(=O)(=O)C1=CC=C(NCC([O-])(C(F)(F)F)C(F)(F)F)C(C(=O)[O-])=C1	REAL300011242421	1	33	-2.0	-110.81	321.26	-0.58	-111.39
COC1=CC=CC2=C(NCC([O-])(C(F)(F)F)C(F)(F)F)C(C(=O)[O-])=CN=C12	REAL300011242422	1	37	-2.0	-104.52	334.26	4.63	-99.89
O=C([O-])C1=CN=C(NCC([O-])(C(F)(F)F)C(F)(F)F)N=C1	REAL300011242428	1	26	-2.0	-82.14	260.73	4.03	-78.11
O=C([O-])C1=CC=NC(NCC([O-])(C(F)(F)F)C(F)(F)F)=C1[N+](=O)[O-]	REAL300011242430	1	29	-2.0	-95.99	292.09	4.98	-91.01
O=C([O-])C1=CN=CN=C1NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300011242431	1	26	-2.0	-98.68	255.55	3.71	-94.97
O=C([O-])CC1=CC=C(NCC([O-])(C(F)(F)F)C(F)(F)F)C([N+](=O)[O-])=C1	REAL300011242432	1	33	-2.0	-87.25	314.40	5.81	-81.44
CC1=C(C(=O)[O-])C(NCC([O-])(C(F)(F)F)C(F)(F)F)=NC2=CC=CC=C12	REAL300011242433	1	36	-2.0	-115.31	327.67	6.47	-108.84
CC1=CC(NCC([O-])(C(F)(F)F)C(F)(F)F)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011242434	1	33	-2.0	-101.10	313.77	5.71	-95.39
O=C([O-])C1=CC=C([N+](=O)[O-])C(NCC([O-])(C(F)(F)F)C(F)(F)F)=N1	REAL300011242435	1	29	-2.0	-91.58	288.36	4.44	-87.14
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(NCC([O-])(C(F)(F)F)C(F)(F)F)=N1	REAL300011242436	1	32	-2.0	-96.36	313.90	5.65	-90.71
O=C([O-])C1=CN=C(NCC([O-])(C(F)(F)F)C(F)(F)F)N=C1	REAL300011242437	1	26	-2.0	-82.14	260.73	4.03	-78.11
O=C([O-])C1=CN=C(NCC([O-])(C(F)(F)F)C(F)(F)F)C([N+](=O)[O-])=C1	REAL300011242438	1	29	-2.0	-80.87	287.31	4.39	-76.48
O=C([O-])C1=CN=C(NCC([O-])(C(F)(F)F)C(F)(F)F)S1	REAL300011242439	1	24	-2.0	-85.09	256.43	2.69	-82.40
O=C([O-])C1=CC(NCC([O-])(C(F)(F)F)C(F)(F)F)=NC=N1	REAL300011242440	1	26	-2.0	-87.87	259.57	3.12	-84.75
O=C([O-])C1=CC=CN=C1NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300011242441	1	27	-2.0	-109.85	264.04	3.83	-106.02
O=C([O-])C1=CC=C(NCC([O-])(C(F)(F)F)C(F)(F)F)N=C1	REAL300011242442	1	27	-2.0	-85.08	263.50	3.34	-81.74
O=C([O-])C1=CC2=NC=NC(NCC([O-])(C(F)(F)F)C(F)(F)F)=C2C=C1	REAL300011242443	1	32	-2.0	-84.18	303.72	5.66	-78.52
O=C([O-])C1=CC=CC([N+](=O)[O-])=C1NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300011242445	1	30	-2.0	-111.02	284.03	6.12	-104.90
O=C([O-])C1=CN=C(NCC([O-])(C(F)(F)F)C(F)(F)F)C=N1	REAL300011242447	1	26	-2.0	-85.54	259.04	1.43	-84.11
O=C([O-])C1=CN=C(NCC([O-])(C(F)(F)F)C(F)(F)F)C([N+](=O)[O-])=C1	REAL300011242448	1	29	-2.0	-80.87	287.31	4.39	-76.48
CC1=NC(NCC([O-])(C(F)(F)F)C(F)(F)F)=NC=C1C(=O)[O-]	REAL300011242449	1	29	-2.0	-82.22	277.27	4.57	-77.65
O=C([O-])C1=CC=C(C(F)(F)F)N=C1NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300011242450	1	30	-2.0	-98.76	299.79	4.89	-93.87
O=C([O-])C1=CC=C(NCC([O-])(C(F)(F)F)C(F)(F)F)N=N1	REAL300011242451	1	26	-2.0	-87.72	259.41	2.23	-85.49
O=C([O-])CC1=CC=C(NCC([O-])(C(F)(F)F)C(F)(F)F)C([N+](=O)[O-])=C1	REAL300011242452	1	33	-2.0	-87.25	314.40	5.81	-81.44
C=CCC1(C(=O)[O-])CCCN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C1	REAL300011242622	1	49	-2.0	-99.18	383.39	7.61	-91.57
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4=C(C3)SC(C(=O)[O-])=C4)N=C2)=N1	REAL300011243204	1	43	-2.0	-104.61	368.38	6.79	-97.82
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CCC(OCC(=O)[O-])CC3)N=C2)=N1	REAL300011243695	1	49	-2.0	-97.19	397.14	6.48	-90.71
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CC(CCC(=O)[O-])C3)N=C2)=N1	REAL300011245414	1	45	-2.0	-95.10	371.67	6.81	-88.29
CCC[C@H](CC(=O)[O-])NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300011245997	1	44	-2.0	-100.12	357.63	5.92	-94.20
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@@H](CC(=O)[O-])CC3CCCCC3)N=C2)=N1	REAL300011246211	1	54	-2.0	-105.54	415.75	8.55	-96.99
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H](CC(=O)[O-])CC3CCCCC3)N=C2)=N1	REAL300011246563	1	54	-2.0	-105.97	414.74	8.44	-97.53
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H](CC(=O)[O-])C(C)C)N=C2)=N1	REAL300011246866	1	44	-2.0	-101.49	353.67	5.91	-95.58
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(CC(=O)[O-])CC3CCCC3)N=C2)=N1	REAL300011247074	1	51	-2.0	-104.67	398.71	7.91	-96.76
CC[C@H](C)[C@@H](CC(=O)[O-])NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300011247358	1	47	-2.0	-99.16	373.17	6.78	-92.38
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C)C3C(=O)[O-])N=C2)=N1	REAL300011247566	1	42	-2.0	-106.31	340.20	6.02	-100.29
C=CCC1(C(=O)[O-])CCN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C1	REAL300011247834	1	46	-2.0	-98.60	371.74	6.69	-91.91
CCC[C@@H](CC(=O)[O-])NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300011248184	1	44	-2.0	-101.64	358.36	6.14	-95.50
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=C(C(=O)[O-])C=CO3)N=C2)=N1	REAL300011248528	1	39	-2.0	-101.93	341.56	5.02	-96.91
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4=C(C3)SC(C(=O)[O-])=C4)N=C2)=N1	REAL300011249227	1	43	-2.0	-104.61	368.38	6.79	-97.82
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=NC3=CC=CC=C31)C2	REAL300011250757	0	36	-2.0	-137.21	294.91	9.03	-128.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(C(F)(F)F)C=N1)C2	REAL300011250758	0	34	-2.0	-133.66	300.54	8.05	-125.61
CS(=O)(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011250759	0	40	-2.0	-135.37	348.55	7.00	-128.37
CC(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011250760	0	39	-2.0	-127.64	327.90	9.89	-117.75
NS(=O)(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011250761	0	39	-2.0	-131.88	342.09	4.44	-127.44
NC1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011250762	0	36	-2.0	-132.96	303.01	7.37	-125.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C([N+](=O)[O-])C=N1)C2	REAL300011250763	0	33	-2.0	-131.47	287.68	7.79	-123.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN=NN1C1=CC=CC=C1)C2	REAL300011250764	0	37	-2.0	-129.63	308.39	9.46	-120.17
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C2	REAL300011250765	0	37	-2.0	-123.97	326.59	10.49	-113.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C([N+](=O)[O-])C=C1)C2	REAL300011250766	0	34	-2.0	-128.45	293.21	8.28	-120.17
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=CC=C1[N+](=O)[O-])C2	REAL300011250767	0	34	-2.0	-132.27	288.09	9.56	-122.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)C2	REAL300011250768	0	37	-2.0	-120.41	317.67	8.94	-111.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C2	REAL300011250769	0	37	-2.0	-123.97	326.59	10.49	-113.48
CC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C2C(=N1)SC1=C2CCC1	REAL300011250770	0	43	-2.0	-139.39	361.81	9.99	-129.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3C(=NC=N1)SC1=C3CCCC1)C2	REAL300011250771	0	43	-2.0	-137.55	350.39	11.53	-126.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3C(C4=CC=CC=C4)=CSC3=NC=N1)C2	REAL300011250772	0	43	-2.0	-138.46	355.84	12.54	-125.92
CC1=C(C)C2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CN=C2S1	REAL300011250773	0	39	-2.0	-135.76	321.87	10.17	-125.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3C(=NC=N1)SC1=C3CCC1)C2	REAL300011250774	0	40	-2.0	-138.03	337.93	10.13	-127.90
CC1CCC2=C(C1)SC1=NC=NC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300011250775	0	46	-2.0	-137.46	370.06	12.00	-125.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3C=C(C4=CC=CC=C4)SC3=NC=N1)C2	REAL300011250776	0	43	-2.0	-133.71	366.44	11.45	-122.26
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3C=CSC3=NC=N1)C2	REAL300011250777	0	33	-2.0	-135.17	289.72	7.99	-127.18
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=CS3)=NC3=CC=CC=C31)C2	REAL300011250778	0	43	-2.0	-145.20	365.92	11.17	-134.03
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3C=C1)C2	REAL300011250779	0	37	-2.0	-145.42	305.57	9.29	-136.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC=C1[N+](=O)[O-])C2	REAL300011250780	0	33	-2.0	-138.74	288.73	8.41	-130.33
CNS(=O)(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011250781	0	42	-2.0	-130.49	364.47	5.65	-124.84
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(S(=O)(=O)N3CCCC3)C=N1)C2	REAL300011250782	0	46	-2.0	-140.70	381.42	6.24	-134.46
CCN(CC)S(=O)(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300011250783	0	48	-2.0	-141.31	398.36	6.69	-134.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=CC=C3)=NC3=CC=CC=C31)C2	REAL300011250784	0	46	-2.0	-145.64	374.24	12.31	-133.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=CN=C3)=NC3=CC=CC=C31)C2	REAL300011250785	0	45	-2.0	-147.57	369.22	10.54	-137.03
CC1=CC2=NC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=CC(C)=C2C=C1	REAL300011250786	0	43	-2.0	-147.18	344.83	10.48	-136.70
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC2=CC=CC=C12	REAL300011250787	0	40	-2.0	-146.22	323.48	9.84	-136.38
CC1=NC2=NC=NN2C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300011250788	0	36	-2.0	-127.99	302.62	11.32	-116.67
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC(C3=CC=CC=C3)=NC3=NC=NN31)C2	REAL300011250789	0	43	-2.0	-128.16	355.04	14.19	-113.97
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C(F)(F)F)=NC3=CC=CC=C31)C2	REAL300011250790	0	39	-2.0	-140.54	337.67	9.33	-131.21
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3S1)C2	REAL300011250791	0	34	-2.0	-139.09	299.20	8.36	-130.73
CS(=O)(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011250792	0	40	-2.0	-135.37	348.55	7.00	-128.37
CN1C=NC([N+](=O)[O-])=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011250793	0	34	-2.0	-122.29	289.06	9.13	-113.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3C(C3=CC=CC=C3)=N1)C2	REAL300011250794	0	46	-2.0	-148.39	377.83	12.35	-136.04
CC1=NN2C(=C1)N=C(N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)C1=CC=CC=C12	REAL300011250795	0	43	-2.0	-134.60	350.16	11.01	-123.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C([N+](=O)[O-])N3C=CSC3=N1)C2	REAL300011250796	0	34	-2.0	-140.74	313.11	10.05	-130.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C([N+](=O)[O-])N3C=CC=CC3=N1)C2	REAL300011250797	0	37	-2.0	-143.97	322.71	10.81	-133.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC3=C(C=C1[N+](=O)[O-])C(=O)N=CN3)C2	REAL300011250798	0	39	-2.0	-129.53	336.10	7.86	-121.67
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3SC=CC3=NC=N1)C2	REAL300011250799	0	33	-2.0	-135.41	290.60	7.96	-127.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN3C=NN=C3C=C1)C2	REAL300011250800	0	33	-2.0	-130.92	283.38	9.09	-121.83
CC1=CC(C)=NN1C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300011250801	0	43	-2.0	-140.19	358.04	9.26	-130.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN3C(=NN=C3C(F)(F)F)C=C1)C2	REAL300011250802	0	36	-2.0	-131.43	324.86	9.18	-122.25
CC1=NN=C2C=CC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NN12	REAL300011250803	0	36	-2.0	-131.43	305.36	8.92	-122.51
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN3N=NN=C3C=C1)C2	REAL300011250804	0	32	-2.0	-133.49	278.71	5.97	-127.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3C=NN(C4=CC=CC=C4)C3=NC=N1)C2	REAL300011250805	0	43	-2.0	-135.20	358.69	11.19	-124.01
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011250806	0	37	-2.0	-122.47	303.31	8.71	-113.76
CN1N=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CN=C21	REAL300011250807	0	36	-2.0	-132.72	301.30	7.72	-125.00
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=NC3=NNC=C31)C2	REAL300011250808	0	33	-2.0	-137.54	280.06	6.71	-130.83
CN(C)C1=CC(C(F)(F)F)=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250809	0	41	-2.0	-136.84	349.78	9.51	-127.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC(C(F)(F)F)=NC3=CC=CC=C31)C2	REAL300011250811	0	40	-2.0	-135.67	341.97	9.53	-126.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=NC=C3)=NC3=CC=CC=C31)C2	REAL300011250812	0	45	-2.0	-142.61	371.46	10.45	-132.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3O1)C2	REAL300011250813	0	34	-2.0	-136.05	288.14	5.66	-130.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3N=C1)C2	REAL300011250814	0	36	-2.0	-140.10	300.63	7.31	-132.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C([N+](=O)[O-])C3=CC=CN=C31)C2	REAL300011250815	0	39	-2.0	-131.20	331.44	8.55	-122.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=CC=C3)=CS1)C2	REAL300011250816	0	38	-2.0	-129.99	327.11	9.42	-120.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=C(F)C=C3)=CS1)C2	REAL300011250817	0	38	-2.0	-128.24	333.60	9.18	-119.06
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC(C(F)(F)F)=N1)C2	REAL300011250818	0	33	-2.0	-131.78	296.03	7.92	-123.86
CCC1=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CN=C2S1	REAL300011250819	0	39	-2.0	-132.30	332.56	9.38	-122.92
CC1=NC2=CC=CC=C2N=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011250820	0	39	-2.0	-142.31	318.74	8.30	-134.01
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=NC3=CC(C(F)(F)F)=CC=C31)C2	REAL300011250821	1	40	-2.0	-126.68	337.28	9.02	-117.66
CC1=CC=C([N+](=O)[O-])C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300011250822	0	37	-2.0	-133.88	312.68	9.86	-124.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)C2	REAL300011250823	0	37	-2.0	-120.41	317.67	8.94	-111.47
CC1=CC([N+](=O)[O-])=CC=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011250824	0	37	-2.0	-128.84	310.21	9.57	-119.27
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3N1)C2	REAL300011250825	0	35	-2.0	-140.10	293.66	8.38	-131.72
COC1=CC2=NC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NC(N)=C2C=C1OC	REAL300011250827	1	46	-2.0	-140.10	371.38	7.17	-132.93
CC1=CC2=CC=CC=C2N=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011250828	0	40	-2.0	-143.34	320.47	9.93	-133.41
CC(=O)C1=CC([N+](=O)[O-])=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300011250829	0	36	-2.0	-119.45	326.82	8.55	-110.90
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC(C(F)(F)F)=CC=N1)C2	REAL300011250830	0	34	-2.0	-132.74	300.71	8.07	-124.67
CC1=NN(C)C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011250831	0	37	-2.0	-139.45	312.44	7.38	-132.07
CC(=O)C1=CC([N+](=O)[O-])=CC=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011250832	0	39	-2.0	-131.44	328.23	9.92	-121.52
CC1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011250833	0	37	-2.0	-131.92	309.29	10.15	-121.77
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=C1[N+](=O)[O-]	REAL300011250834	0	36	-2.0	-131.69	306.58	8.42	-123.27
COC1=CC=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011250835	0	38	-2.0	-137.10	316.75	7.70	-129.40
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=CC(C(F)(F)F)=N1)C2	REAL300011250836	0	34	-2.0	-141.19	299.09	8.14	-133.05
COC1=CC(OC)=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250837	0	38	-2.0	-128.74	315.71	4.35	-124.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=CC(C(F)(F)F)=N1)C2	REAL300011250838	0	34	-2.0	-141.19	299.09	8.14	-133.05
CC1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011250839	0	37	-2.0	-131.92	309.29	10.15	-121.77
CN(C)S(=O)(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300011250840	0	42	-2.0	-141.04	357.15	5.02	-136.02
CC(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011250841	0	39	-2.0	-127.64	327.90	9.89	-117.75
CC1=CC=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011250842	0	36	-2.0	-139.37	303.72	8.41	-130.96
COC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011250843	0	38	-2.0	-124.34	315.34	8.26	-116.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C2	REAL300011250844	0	37	-2.0	-121.21	327.50	10.02	-111.19
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C([N+](=O)[O-])C=CS1)C2	REAL300011250845	0	31	-2.0	-125.00	280.80	8.29	-116.71
CCCC1=NC2=NC=NN2C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300011250846	0	42	-2.0	-127.34	344.18	13.11	-114.23
CC(C)C1=NC2=NC=NN2C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300011250847	0	42	-2.0	-126.75	339.83	12.75	-114.00
CCC1=NC2=NC=NN2C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300011250848	0	39	-2.0	-127.81	322.68	12.35	-115.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC(C(F)(F)F)=NC3=NC=NN31)C2	REAL300011250849	0	36	-2.0	-121.67	321.55	11.81	-109.86
CC1=NC2=NC(C(F)(F)F)=NN2C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300011250850	0	39	-2.0	-125.77	344.05	11.45	-114.32
CC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C2C(CC(C)C)=CSC2=N1	REAL300011250851	0	48	-2.0	-140.29	386.33	11.52	-128.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(S(=O)(=O)NCC3CC3)C=N1)C2	REAL300011250852	0	46	-2.0	-137.93	388.61	5.69	-132.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN3C(=NN=C3C3=CC=CC=C3)C=C1)C2	REAL300011250853	0	43	-2.0	-135.58	361.66	11.96	-123.62
CC1=CC([N+](=O)[O-])=CN=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011250854	0	36	-2.0	-132.36	305.30	8.54	-123.82
CC(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300011250855	0	36	-2.0	-134.65	304.12	7.56	-127.09
CC1=CSC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CN=C12	REAL300011250856	0	36	-2.0	-134.99	310.12	8.72	-126.27
CC1=CSC2=NC=NC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300011250857	0	36	-2.0	-137.43	307.11	9.51	-127.92
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3C=COC3=CC=N1)C2	REAL300011250858	0	34	-2.0	-137.18	284.00	7.16	-130.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3N=C1N1CCOCC1)C2	REAL300011250859	0	49	-2.0	-142.67	382.28	9.02	-133.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3N=C1N1CCCCC1)C2	REAL300011250860	0	51	-2.0	-143.66	390.84	11.50	-132.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3N=C1N1CCCC1)C2	REAL300011250861	0	48	-2.0	-144.22	380.39	9.40	-134.82
NS(=O)(=O)C1=CC=CN=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011250862	0	36	-2.0	-140.59	315.27	2.65	-137.94
NC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=C1[N+](=O)[O-]	REAL300011250863	0	34	-2.0	-126.72	294.97	6.62	-120.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=CC=C3)=NO1)C2	REAL300011250864	0	37	-2.0	-129.30	318.33	6.84	-122.46
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3NC=NC3=NC(C(F)(F)F)=N1)C2	REAL300011250865	0	36	-2.0	-139.72	319.62	7.92	-131.80
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3N=CNC3=NC(C(F)(F)F)=N1)C2	REAL300011250865	1	36	-2.0	-141.17	320.63	7.96	-133.21
CC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(C(F)(F)F)=N1	REAL300011250866	0	36	-2.0	-128.88	318.04	7.80	-121.08
CC1=CC=C(N2N=NN=C2N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300011250867	0	40	-2.0	-131.59	330.65	9.94	-121.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=C([N+](=O)[O-])C=C3C=C1)C2	REAL300011250868	0	39	-2.0	-137.51	333.61	9.96	-127.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C2	REAL300011250869	0	37	-2.0	-123.97	326.59	10.49	-113.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CN=CC(N3C=CC=N3)=N1)C2	REAL300011250870	0	37	-2.0	-137.73	315.79	7.39	-130.34
COC1=CC=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=C(C)N=C12	REAL300011250871	0	44	-2.0	-133.99	345.63	8.03	-125.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3C=CNC3=NC=N1)C2	REAL300011250872	1	34	-2.0	-140.00	283.84	7.91	-132.09
CC1=CN=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011250873	0	36	-2.0	-137.03	306.71	9.09	-127.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC=C1[N+](=O)[O-])C2	REAL300011250874	0	33	-2.0	-138.74	288.73	8.41	-130.33
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(C2=CC=CN=C2)=N1	REAL300011250875	0	42	-2.0	-144.60	350.36	9.00	-135.60
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300011250876	0	45	-2.0	-137.68	385.64	11.39	-126.29
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C([N+](=O)[O-])C3=CC=CN=C3C=C1)C2	REAL300011250877	0	39	-2.0	-131.37	335.70	8.79	-122.58
CC1=NN(C2=CC=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=N2)C=C1	REAL300011250878	0	40	-2.0	-140.38	339.23	8.66	-131.72
NC1=CC=C([N+](=O)[O-])C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300011250879	0	36	-2.0	-134.57	305.81	7.40	-127.17
CC(=O)C1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011250880	0	39	-2.0	-124.02	324.39	9.66	-114.36
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=C([N+](=O)[O-])C=N1)C2	REAL300011250881	0	32	-2.0	-126.39	284.91	7.67	-118.72
CC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C2C=NN(C)C2=N1	REAL300011250882	0	39	-2.0	-133.76	323.13	7.68	-126.08
COC1=CC2=CC=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C2C=C1	REAL300011250883	0	41	-2.0	-142.22	334.95	8.59	-133.63
CC(C)COC1=CN=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250884	0	43	-2.0	-134.24	351.91	6.27	-127.97
CC1=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CN=C2C=C1	REAL300011250885	0	39	-2.0	-137.21	316.26	9.69	-127.52
CC1=NOC(C2=CC=CN=C2N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250886	0	39	-2.0	-140.06	330.43	7.17	-132.89
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C([N+](=O)[O-])S1)C2	REAL300011250887	0	31	-2.0	-128.26	285.99	7.70	-120.56
CN1C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC2=C1C(=O)NC(=O)N2C	REAL300011250888	0	41	-2.0	-129.63	338.61	6.94	-122.69
CC(C)C1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=N1	REAL300011250889	0	39	-2.0	-133.90	314.55	8.78	-125.12
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN3C(=NN=C3C3=CC=CC=C3F)C=C1)C2	REAL300011250890	0	43	-2.0	-128.67	367.70	11.79	-116.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CN=CC(N3C=NC=N3)=N1)C2	REAL300011250891	0	36	-2.0	-134.67	310.59	8.74	-125.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=NC=CN=C3C=C1)C2	REAL300011250892	0	35	-2.0	-148.08	295.39	6.43	-141.65
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(N3C=CN=C3)N=N1)C2	REAL300011250893	0	37	-2.0	-142.64	314.78	9.28	-133.36
NS(=O)(=O)C1=CN=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300011250894	0	33	-2.0	-134.69	306.44	0.82	-133.87
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=CC(Cl)=C3)=NO1)C2	REAL300011250895	0	37	-2.0	-127.28	335.06	7.36	-119.92
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=NNC=C3C(=O)N1)C2	REAL300011250896	0	34	-2.0	-136.09	294.77	6.77	-129.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=C(C=NN3)C(=O)N1)C2	REAL300011250896	1	34	-2.0	-125.60	292.44	6.75	-118.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=CC=C3)=NS1)C2	REAL300011250897	0	37	-2.0	-126.08	320.60	9.05	-117.03
CC1=NN=C2C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NC=CN12	REAL300011250898	0	36	-2.0	-142.40	305.35	8.82	-133.58
CN1N=CC2=C1N=C(N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)NC2=O	REAL300011250899	0	37	-2.0	-126.75	315.37	7.95	-118.80
CN1C=NC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CN=C21	REAL300011250900	0	36	-2.0	-141.44	304.23	9.01	-132.43
CCN1C=NC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CN=C21	REAL300011250901	0	39	-2.0	-142.37	326.55	10.10	-132.27
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=NC3=C1CCC3)C2	REAL300011250902	0	37	-2.0	-133.61	293.62	8.69	-124.92
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC(N3CCOCC3)=N1)C2	REAL300011250903	1	43	-2.0	-137.65	342.30	6.72	-130.93
CNS(=O)(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300011250905	0	39	-2.0	-141.87	338.19	3.19	-138.68
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=NC(C3=CC=CC=C3)=N1)C2	REAL300011250906	0	40	-2.0	-142.04	333.71	10.19	-131.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=CN=C3)=NC3=C1CCC3)C2	REAL300011250907	0	46	-2.0	-143.60	373.29	9.87	-133.73
CCN1C=CN=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C1=O	REAL300011250908	0	37	-2.0	-144.13	308.65	7.52	-136.61
CC1=NOC(C2=CC=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C2)=N1	REAL300011250909	0	39	-2.0	-136.74	333.84	6.40	-130.34
CC1=NC(C(C)(C)C)=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300011250910	0	48	-2.0	-143.08	374.70	10.38	-132.70
CCC1=NN=C2C=CC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NN21	REAL300011250911	0	39	-2.0	-131.67	326.85	9.54	-122.13
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN3C(=NN=C3C3CC3)C=C1)C2	REAL300011250912	0	40	-2.0	-132.93	338.81	10.28	-122.65
COC1=CC=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CN=C12	REAL300011250913	0	41	-2.0	-134.99	334.95	7.58	-127.41
CCCOC1=CC=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CN=C12	REAL300011250915	0	47	-2.0	-133.39	370.94	9.12	-124.27
CC1=CC=CC2=NC=NC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300011250919	0	39	-2.0	-140.01	313.48	10.84	-129.17
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C2	REAL300011250920	0	37	-2.0	-121.21	327.50	10.02	-111.19
CCC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=N1	REAL300011250921	0	45	-2.0	-139.24	373.42	9.72	-129.52
CCC1=CC(=O)NC(C2=CC=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C2)=N1	REAL300011250922	0	46	-2.0	-138.20	379.06	8.38	-129.82
CC1=NC(C2=CC=NC=C2)=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300011250923	0	45	-2.0	-141.57	364.33	9.62	-131.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC(OCC3=CC=CC=C3)=NC=N1)C2	REAL300011250924	0	44	-2.0	-132.73	368.28	9.38	-123.35
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(C2=CC=CC=N2)=N1	REAL300011250925	0	42	-2.0	-150.72	353.36	8.90	-141.82
CC1=NOC2=NC=NC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300011250926	0	35	-2.0	-129.35	298.25	5.97	-123.38
CC1=NC(C2=CC=CN=C2)=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300011250930	0	45	-2.0	-147.07	364.16	9.61	-137.46
CC1=NC(C2=CC=CC=N2)=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300011250931	0	45	-2.0	-152.63	365.81	9.57	-143.06
CC1=C(C)C(=O)NC(C2=CC=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C2)=N1	REAL300011250932	0	46	-2.0	-139.33	374.94	8.25	-131.08
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C2)=N1	REAL300011250932	1	45	-3.0	-193.50	373.42	7.29	-186.21
CC(C)C1=NC=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250933	0	39	-2.0	-127.55	315.15	7.59	-119.96
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=CC=N3)=NC3=C1CCC3)C2	REAL300011250934	0	46	-2.0	-153.92	372.88	9.98	-143.94
CC1=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CN=C2S1	REAL300011250935	0	36	-2.0	-132.25	311.02	8.61	-123.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC(N3CCCC3)=N1)C2	REAL300011250936	1	42	-2.0	-135.61	336.20	8.46	-127.15
CCOC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011250937	0	41	-2.0	-124.16	337.19	9.18	-114.98
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(C2CC2)=N1	REAL300011250938	1	40	-2.0	-138.58	330.32	9.08	-129.50
CC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011250939	0	36	-2.0	-131.51	306.53	8.36	-123.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC([N+](=O)[O-])=CC=C3N1)C2	REAL300011250940	0	37	-2.0	-137.46	319.72	9.13	-128.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC(N3C=CN=C3)=NC=N1)C2	REAL300011250941	0	37	-2.0	-131.96	312.65	10.40	-121.56
CC1=CC=C([N+](=O)[O-])C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250942	0	36	-2.0	-139.07	306.98	9.05	-130.02
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3C=C1CO)C2	REAL300011250943	0	41	-2.0	-148.02	336.45	6.99	-141.03
CC1=CC=CC([N+](=O)[O-])=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011250944	0	37	-2.0	-131.50	296.33	9.69	-121.81
CC1=CC=C2OC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NC2=C1	REAL300011250945	0	37	-2.0	-134.33	309.62	5.84	-128.49
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(C(F)(F)F)N=N1)C2	REAL300011250946	0	33	-2.0	-137.46	296.96	6.87	-130.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(C(F)(F)F)C=N1)C2	REAL300011250947	0	34	-2.0	-133.66	300.54	8.05	-125.61
COC1=CC=C(C2=CC=NC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=N2)C=C1	REAL300011250948	0	44	-2.0	-139.63	363.12	9.94	-129.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC(C(F)(F)F)=CC=N1)C2	REAL300011250950	0	34	-2.0	-132.74	300.71	8.07	-124.67
COC1=CC(C)=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250951	0	37	-2.0	-134.07	308.58	6.24	-127.83
CC1=NN(C)C2=NC=CC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300011250952	0	40	-2.0	-129.86	328.80	8.06	-121.80
CN(C)C1=NC=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250953	1	38	-2.0	-137.66	311.23	9.35	-128.31
CC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=C1[N+](=O)[O-]	REAL300011250954	0	35	-2.0	-126.88	304.04	8.22	-118.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=C(C=NN3C3=CC=CC=C3)C(=O)N1)C2	REAL300011250955	0	44	-2.0	-129.80	372.59	11.48	-118.32
COC1=NC(C)=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250956	0	37	-2.0	-140.34	308.03	4.42	-135.92
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300011250957	0	42	-2.0	-128.63	362.41	4.31	-124.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=NC=C1C1=CC=CC=C1)C2	REAL300011250958	0	40	-2.0	-132.81	328.37	10.74	-122.07
CN1C2=CC=CC=C2N=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011250959	0	38	-2.0	-139.31	307.65	10.07	-129.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CN=CC(C3=CC=CC=C3)=N1)C2	REAL300011250960	0	40	-2.0	-146.67	332.02	8.77	-137.90
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3C(=O)N1)C2	REAL300011250961	0	37	-2.0	-131.36	312.37	9.28	-122.08
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=NC(C(F)(F)F)=C1)C2	REAL300011250962	0	34	-2.0	-122.91	296.42	6.98	-115.93
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CN3C=NN=C13)C2	REAL300011250963	0	33	-2.0	-141.72	283.47	9.01	-132.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3SC=CC3=NC=C1)C2	REAL300011250964	0	34	-2.0	-129.52	291.34	6.93	-122.59
CC1=CC(C(F)(F)F)=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250965	0	36	-2.0	-132.43	316.90	8.61	-123.82
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C3C(=O)CCCC3=N1)C2	REAL300011250966	0	40	-2.0	-136.45	324.27	8.70	-127.75
COC1=CC=CC2=NC=NC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300011250967	0	40	-2.0	-142.06	331.63	9.11	-132.95
CC(C)C1=NSC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250968	0	36	-2.0	-123.53	308.73	7.03	-116.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC(F)=C3S1)C2	REAL300011250970	0	34	-2.0	-135.70	305.62	8.42	-127.28
CC1=C2SC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NC2=CC=C1	REAL300011250971	0	37	-2.0	-139.73	319.57	8.98	-130.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3N=CN(C4CC4)C3=NC=N1)C2	REAL300011250972	0	40	-2.0	-141.09	333.96	10.52	-130.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=NC3=CC=NC=C31)C2	REAL300011250973	0	36	-2.0	-128.85	300.28	6.73	-122.12
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CN3N=NN=C13)C2	REAL300011250974	0	32	-2.0	-133.79	276.06	6.05	-127.74
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=NC3=CN=CC=C31)C2	REAL300011250975	0	35	-2.0	-131.72	290.06	7.25	-124.47
CC1=NN2N=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CC2=N1	REAL300011250976	0	36	-2.0	-138.25	308.06	7.97	-130.28
CC1=NN2C=CN=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C2=C1	REAL300011250977	0	37	-2.0	-132.99	308.33	7.79	-125.20
COC1=CC=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CC=C12	REAL300011250979	0	41	-2.0	-141.84	331.02	9.03	-132.81
COCC1=NN=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300011250980	0	34	-2.0	-134.29	297.92	4.79	-129.50
CC1=NC2=NC=NN2C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1C	REAL300011250981	0	39	-2.0	-127.45	322.74	11.89	-115.56
CCOC1=CN=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250982	0	37	-2.0	-133.10	310.31	4.78	-128.32
CC(C)OC1=CN=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250983	0	40	-2.0	-133.21	328.37	5.79	-127.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=NC3=CC=C([N+](=O)[O-])C=C31)C2	REAL300011250984	0	38	-2.0	-131.48	322.94	9.71	-121.77
CN(C)C1=CC=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250986	1	38	-2.0	-138.40	309.58	8.71	-129.69
CCC1=NC(C)=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250987	1	39	-2.0	-136.51	321.28	8.02	-128.49
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NOC(C3=CC=CC=C3)=N1)C2	REAL300011250988	0	37	-2.0	-136.04	318.57	8.08	-127.96
CCC1=CC(C)=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250989	0	39	-2.0	-137.93	318.76	8.92	-129.01
CC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC2=NN=CN21	REAL300011250990	0	36	-2.0	-138.64	303.95	10.53	-128.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3CC3)=NS1)C2	REAL300011250991	0	34	-2.0	-124.70	296.56	7.24	-117.46
COCCC1=NSC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250992	0	37	-2.0	-121.57	317.66	5.52	-116.05
CC(C)(C)C1=CC=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250993	0	42	-2.0	-137.63	334.03	9.67	-127.96
CC1=CSC2=NC(C)=NC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300011250994	0	39	-2.0	-138.65	331.82	9.61	-129.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=NC3=CN=CC=C31)C2	REAL300011250995	0	36	-2.0	-128.13	293.39	6.23	-121.90
CN1N=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C=CN=C21	REAL300011250996	0	37	-2.0	-128.72	306.38	6.80	-121.92
CS(=O)(=O)C1=CC=CN=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011250997	0	37	-2.0	-141.79	317.90	5.51	-136.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C(F)(F)F)=NS1)C2	REAL300011250998	0	30	-2.0	-116.87	285.97	6.22	-110.65
CCCC1=NSC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011250999	0	36	-2.0	-123.02	305.48	7.23	-115.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=C(C(F)F)C=N1)C2	REAL300011251000	0	33	-2.0	-133.23	288.88	7.85	-125.38
CC(C)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300011251002	0	39	-2.0	-142.78	316.67	7.66	-135.12
COCC1=CC([N+](=O)[O-])=CC=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251003	0	41	-2.0	-125.68	342.44	8.59	-117.09
CC(C)(C)C1=NC=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251004	0	42	-2.0	-141.00	338.40	8.28	-132.72
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CN=CC(SCC3=CC=CC=C3)=N1)C2	REAL300011251005	0	44	-2.0	-136.51	381.12	10.24	-126.27
CC(C)(C)C1=NSC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251006	0	39	-2.0	-124.39	327.62	7.67	-116.72
COCC1=NC(C)=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251007	0	40	-2.0	-137.60	331.36	6.46	-131.14
COC1=CC=CC(C2=NOC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=N2)=C1	REAL300011251008	0	41	-2.0	-131.05	347.81	6.15	-124.90
CCC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(C)=N1	REAL300011251009	1	39	-2.0	-135.69	320.60	8.19	-127.50
CC1=NC(C)=C(C)C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251010	1	39	-2.0	-137.94	312.35	8.12	-129.82
CNC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC2=CC=CC=C21	REAL300011251011	0	41	-2.0	-145.72	331.53	9.30	-136.42
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C([N+](=O)[O-])C=CC3=C1CCN3)C2	REAL300011251012	0	40	-2.0	-131.95	319.48	7.94	-124.01
NC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC2=CC=CC=C12	REAL300011251013	0	38	-2.0	-142.44	312.66	8.10	-134.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=NC3=C1CCCC3)C2	REAL300011251014	0	40	-2.0	-139.19	318.84	9.67	-129.52
CC1=NC2=CC=C([N+](=O)[O-])C=C2C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300011251015	1	42	-2.0	-127.80	344.49	9.33	-118.47
CN(C)C1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC2=CC=CC=C21	REAL300011251016	0	44	-2.0	-141.63	354.11	9.84	-131.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=NC(N3CCCCC3)=N1)C2	REAL300011251017	1	45	-2.0	-140.40	351.61	9.80	-130.60
CC(C)(C)C1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(C(C)(C)C)=N1	REAL300011251018	0	54	-2.0	-138.08	415.81	11.43	-126.65
COC1=NC(N2CCCCCC2)=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251019	0	51	-2.0	-136.68	391.65	8.74	-127.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=NC3=C([N+](=O)[O-])C=CC=C13)C2	REAL300011251020	0	39	-2.0	-129.89	324.40	9.09	-120.80
NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251021	0	39	-2.0	-124.74	343.03	4.07	-120.67
CC1=NN=C2C3=C(C=CC=C3)C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NN12	REAL300011251022	0	42	-2.0	-130.29	341.72	10.95	-119.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=C([N+](=O)[O-])C=C1C(F)(F)F)C2	REAL300011251023	0	36	-2.0	-127.29	323.28	9.17	-118.12
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=NC3=C1C1=C(C=CC=C1)N3)C2	REAL300011251025	0	40	-2.0	-140.65	334.50	9.96	-130.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3C(=NC4=C3C=CC=C4)NC=N1)C2	REAL300011251025	1	40	-2.0	-151.46	335.66	10.82	-140.64
CC(C)NS(=O)(=O)C1=CC=CN=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251026	0	45	-2.0	-150.03	376.03	5.17	-144.86
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN3C(=NN=C3C(F)F)C=C1)C2	REAL300011251027	0	36	-2.0	-135.37	318.51	9.07	-126.30
CCOC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=N1	REAL300011251028	0	37	-2.0	-131.75	310.46	6.25	-125.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=NC(CC3=CC=CC=C3)=N1)C2	REAL300011251029	0	43	-2.0	-138.61	357.42	10.50	-128.11
CC(C)C1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC(C(C)(C)C)=N1	REAL300011251032	0	51	-2.0	-136.84	397.17	10.66	-126.18
CC(C)C1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(C(C)C)=N1	REAL300011251033	0	48	-2.0	-136.46	377.90	9.93	-126.53
COC1=CC([N+](=O)[O-])=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1OC	REAL300011251034	0	42	-2.0	-128.45	349.99	8.40	-120.05
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C(F)(F)F)=CS1)C2	REAL300011251035	0	31	-2.0	-124.06	288.74	6.31	-117.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC(OC3=CC=CC=C3)=N1)C2	REAL300011251036	0	41	-2.0	-134.43	346.27	9.18	-125.25
COCC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(C(C)(C)C)=N1	REAL300011251037	0	49	-2.0	-137.93	391.49	8.58	-129.35
COC1=CC2=NC=C([N+](=O)[O-])C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2C=C1	REAL300011251038	0	43	-2.0	-125.10	347.71	8.67	-116.43
NC1=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=CN=C1N1C=CC=N1	REAL300011251039	0	39	-2.0	-136.42	320.37	7.81	-128.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN=C(C3=CC=CC=N3)S1)C2	REAL300011251040	0	36	-2.0	-139.51	321.00	6.87	-132.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN=C(C(F)F)S1)C2	REAL300011251041	0	30	-2.0	-131.49	277.00	5.99	-125.50
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN=C(C3=NOC=C3)S1)C2	REAL300011251042	0	33	-2.0	-137.24	301.75	5.94	-131.30
COC1=CC=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)C(C)=CN=C12	REAL300011251043	0	44	-2.0	-137.72	341.88	8.20	-129.52
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=NC3=CC=CC([N+](=O)[O-])=C31)C2	REAL300011251044	0	38	-2.0	-145.69	317.90	11.03	-134.66
CC1=NC2=C(CCCC2)C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251045	1	43	-2.0	-140.03	341.17	9.26	-130.77
CC1=CC=C(C2=NOC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=N2)C=C1	REAL300011251046	0	40	-2.0	-129.16	339.72	7.52	-121.64
COC1=CC=C(C2=NOC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=N2)C=C1	REAL300011251047	0	41	-2.0	-128.00	347.93	5.86	-122.14
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC(S(=O)(=O)N3CCCC3)=CC=N1)C2	REAL300011251048	0	46	-2.0	-139.26	378.50	6.29	-132.97
CC1=NC2=C([N+](=O)[O-])C=CC=C2C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300011251049	0	42	-2.0	-131.24	342.49	9.70	-121.54
CC1=C(S(N)(=O)=O)SC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251050	0	36	-2.0	-137.42	325.53	1.60	-135.82
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC3=CC(C(F)(F)F)=CC=C31)C2	REAL300011251051	0	40	-2.0	-137.27	341.04	10.66	-126.61
CCOC1=CC=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011251053	0	41	-2.0	-137.21	338.48	8.63	-128.58
CC(C)OC1=CC=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251055	0	41	-2.0	-139.02	333.55	7.70	-131.32
CN(C1=CC=CC=C1)C1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=N1	REAL300011251056	0	45	-2.0	-133.86	367.72	11.16	-122.70
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300011251057	0	40	-2.0	-123.96	345.66	10.71	-113.25
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011251059	0	37	-2.0	-122.47	303.31	8.71	-113.76
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=C(C3=CC=CC=C3)S1)C2	REAL300011251060	0	38	-2.0	-136.57	327.67	9.71	-126.86
CCC(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011251061	0	42	-2.0	-127.18	350.43	10.77	-116.41
CC(C)OC1=NC=CN=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251062	0	40	-2.0	-137.72	328.23	5.69	-132.03
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3C=C1[N+](=O)[O-])C2	REAL300011251063	0	39	-2.0	-146.50	333.66	10.52	-135.98
NS(=O)(=O)C1=CC=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011251064	0	39	-2.0	-138.38	337.53	3.92	-134.46
CC1=CC2=CC=CC=C2C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251065	1	40	-2.0	-143.07	323.30	9.88	-133.19
CCOC1=NC=CN=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251067	0	37	-2.0	-137.24	308.10	4.77	-132.47
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CN=CC(OC3CCCCC3)=N1)C2	REAL300011251068	0	47	-2.0	-136.48	369.98	7.71	-128.77
CCC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C2C=CSC2=N1	REAL300011251069	0	39	-2.0	-136.33	332.09	8.61	-127.72
CCOC1=C2C=CC=CC2=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=N1	REAL300011251070	0	43	-2.0	-145.66	348.36	7.38	-138.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC3=C([N+](=O)[O-])C=CC=C31)C2	REAL300011251071	0	39	-2.0	-137.83	327.73	10.24	-127.59
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN3C(=NN=C3C3=CSC=C3)C=C1)C2	REAL300011251072	0	40	-2.0	-133.94	352.85	10.90	-123.04
CC(C)(C)C1=NN=C2C=CC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NN21	REAL300011251073	0	45	-2.0	-125.62	367.34	10.25	-115.37
CC(C)(C)N1N=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CN=C21	REAL300011251074	0	45	-2.0	-133.92	359.95	9.71	-124.21
CC1CC1C1=NN=C2C=CC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NN21	REAL300011251075	0	43	-2.0	-126.22	357.42	10.62	-115.60
COC1=CC2=NC(C)=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C2C=C1	REAL300011251076	0	43	-2.0	-141.03	352.28	7.65	-133.38
CC(C)OC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=N1	REAL300011251077	0	40	-2.0	-131.86	328.49	7.25	-124.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC(C(F)(F)F)=NC=C1[N+](=O)[O-])C2	REAL300011251078	0	36	-2.0	-124.52	326.61	8.82	-115.70
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(C2=CC=CS2)=N1	REAL300011251079	0	40	-2.0	-142.16	347.05	9.66	-132.50
COCC1=NSC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251080	0	34	-2.0	-125.15	300.51	4.86	-120.29
CCC1=NN(C)C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011251081	0	40	-2.0	-140.04	333.92	8.12	-131.92
CCN1N=C(C)C([N+](=O)[O-])=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251082	0	40	-2.0	-139.74	334.10	8.28	-131.46
CS(=O)(=O)C1=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CN=C2C=C1	REAL300011251083	0	42	-2.0	-143.25	355.38	6.56	-136.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3C=C([N+](=O)[O-])SC3=NC=N1)C2	REAL300011251084	0	35	-2.0	-126.22	319.07	8.63	-117.59
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251085	0	40	-2.0	-131.42	348.42	7.09	-124.33
NC1=NC2=NC=NC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C2C=C1	REAL300011251086	0	37	-2.0	-139.39	306.96	6.75	-132.64
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3CCCC3)=NS1)C2	REAL300011251088	0	40	-2.0	-123.87	330.52	8.39	-115.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3CCCCC3)=NS1)C2	REAL300011251089	0	43	-2.0	-124.07	351.30	8.85	-115.22
CC(C)C1=NC(N(C)C)=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251090	0	46	-2.0	-134.59	369.15	11.97	-122.62
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CN=CC(OCC3CCCC3)=N1)C2	REAL300011251092	0	47	-2.0	-130.75	371.19	7.65	-123.10
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C([N+](=O)[O-])C(C3=CC=CC=C3)=N1)C2	REAL300011251093	0	43	-2.0	-134.16	360.04	11.31	-122.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC(C3=CN=CC=N3)=N1)C2	REAL300011251094	0	38	-2.0	-138.57	323.80	7.30	-131.27
COCC1=NC(OC)=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251095	0	41	-2.0	-134.02	342.01	4.31	-129.71
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC3=CC=C([N+](=O)[O-])C=C31)C2	REAL300011251096	0	39	-2.0	-140.17	327.75	10.03	-130.14
CC1=C(C)C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NN2C1=NN=C2C(F)(F)F	REAL300011251097	0	42	-2.0	-125.43	353.69	9.98	-115.45
CS(=O)(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1	REAL300011251098	0	37	-2.0	-146.04	322.27	4.55	-141.49
CCC1=CC(CC)=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251099	0	42	-2.0	-137.87	338.01	9.77	-128.10
CC(C)(C)OC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011251100	0	47	-2.0	-123.61	364.73	10.04	-113.57
CC(C)(C)C1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NO1	REAL300011251101	0	39	-2.0	-134.73	320.97	6.85	-127.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=NC3=C1C1=C(C=CC=C1)S3)C2	REAL300011251102	0	39	-2.0	-136.79	330.18	11.23	-125.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC3=CC([N+](=O)[O-])=CC=C31)C2	REAL300011251104	0	39	-2.0	-135.41	330.49	10.34	-125.07
CCN1C(C)=NC([N+](=O)[O-])=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251105	0	40	-2.0	-154.44	324.75	9.43	-145.01
CCC1=NN=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N=C1CC	REAL300011251107	0	41	-2.0	-141.00	331.78	8.27	-132.73
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=C([N+](=O)[O-])C=C3C(=O)N1)C2	REAL300011251108	0	39	-2.0	-124.22	342.55	9.78	-114.44
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300011251109	0	40	-2.0	-122.16	349.18	10.72	-111.44
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C([N+](=O)[O-])C3=CN=CC=C31)C2	REAL300011251110	0	39	-2.0	-125.75	330.23	9.18	-116.57
CS(=O)(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300011251111	0	38	-2.0	-132.38	320.54	5.05	-127.33
CS(=O)(=O)C1=CC=CC=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251112	0	38	-2.0	-134.68	316.22	6.22	-128.46
CC1=CN2N=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)SC2=N1	REAL300011251113	0	34	-2.0	-127.45	305.81	8.39	-119.06
CC1=CC(=O)N2N=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)SC2=N1	REAL300011251114	0	36	-2.0	-135.79	323.80	7.58	-128.21
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN3C=C(C4=CC=CC=C4)N=C3S1)C2	REAL300011251115	0	41	-2.0	-128.73	363.31	11.37	-117.36
NS(=O)(=O)C1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1	REAL300011251116	0	39	-2.0	-134.46	342.30	3.14	-131.32
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C([N+](=O)[O-])C=N1)C2	REAL300011251117	0	33	-2.0	-131.47	287.68	7.79	-123.68
CC1=NC([N+](=O)[O-])=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)N1C	REAL300011251118	0	37	-2.0	-121.97	308.65	8.93	-113.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=C([N+](=O)[O-])C=C3S1)C2	REAL300011251119	0	36	-2.0	-129.32	327.40	9.02	-120.30
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3O1)C2	REAL300011251120	0	34	-2.0	-136.05	288.14	5.66	-130.39
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3S1)C2	REAL300011251121	0	34	-2.0	-139.09	299.20	8.36	-130.73
COC1=CC=C([N+](=O)[O-])C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300011251122	0	38	-2.0	-138.37	320.23	8.84	-129.53
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=CC=CC=C3N=C1)C2	REAL300011251123	0	36	-2.0	-140.10	300.63	7.31	-132.79
CC1=NC2=CC=CC=C2N=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251124	0	39	-2.0	-142.31	318.74	8.30	-134.01
NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251125	0	39	-2.0	-124.74	343.03	4.07	-120.67
CC(=O)C1=CC=C(S(C)(=O)=O)C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1	REAL300011251126	0	43	-2.0	-156.71	362.02	6.44	-150.27
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=C1[N+](=O)[O-]	REAL300011251127	0	36	-2.0	-131.69	306.58	8.42	-123.27
CC(C)(C)S(=O)(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=N1	REAL300011251128	0	46	-2.0	-138.04	376.55	5.24	-132.80
CC1=CC2=CC=CC=C2N=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251129	0	40	-2.0	-143.34	320.47	9.93	-133.41
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC=C1[N+](=O)[O-])C2	REAL300011251130	0	33	-2.0	-138.74	288.73	8.41	-130.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN=C(C3CC3)S1)C2	REAL300011251131	0	34	-2.0	-134.03	300.88	7.06	-126.97
CC(C)(C)C1=NN=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300011251132	0	39	-2.0	-136.36	327.88	7.60	-128.76
CCCC1=NN=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300011251133	0	36	-2.0	-132.61	307.20	7.27	-125.34
NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251134	0	39	-2.0	-141.23	344.68	4.18	-137.05
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C2	REAL300011251135	0	37	-2.0	-123.97	326.59	10.49	-113.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(C(F)(F)F)N=N1)C2	REAL300011251136	0	33	-2.0	-137.46	296.96	6.87	-130.59
CC1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011251137	0	37	-2.0	-131.92	309.29	10.15	-121.77
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC=C1C(F)(F)F)C2	REAL300011251138	0	34	-2.0	-138.12	299.63	8.54	-129.58
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN=C(C3=CC=CC=C3)S1)C2	REAL300011251139	0	37	-2.0	-138.10	325.37	8.73	-129.37
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CN=CC3=NC=NN31)C2	REAL300011251140	0	33	-2.0	-130.75	280.97	7.96	-122.79
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=CC=C3)=NS1)C2	REAL300011251141	0	37	-2.0	-126.08	320.60	9.05	-117.03
CC(C)C1=CN=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)S1	REAL300011251142	0	37	-2.0	-133.22	313.27	7.98	-125.24
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C(F)(F)F)=CS1)C2	REAL300011251143	0	31	-2.0	-124.06	288.74	6.31	-117.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=C(C3=CC=CC=C3)S1)C2	REAL300011251144	0	38	-2.0	-136.57	327.67	9.71	-126.86
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN3C=C(C4=CC=CN=C4)N=C3S1)C2	REAL300011251145	0	40	-2.0	-128.10	358.31	9.58	-118.52
CC(C)(C)C1=NC=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251146	0	42	-2.0	-141.00	338.40	8.28	-132.72
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN=C(CC3=CC=CC=C3)S1)C2	REAL300011251147	0	40	-2.0	-136.52	348.75	9.53	-126.99
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN=C(CC3=CC=C(F)C=C3)S1)C2	REAL300011251148	0	40	-2.0	-137.15	355.13	9.59	-127.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN=C(C(F)(F)F)S1)C2	REAL300011251149	0	30	-2.0	-127.91	286.76	6.18	-121.73
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(C(F)(F)F)C=N1)C2	REAL300011251150	0	34	-2.0	-133.66	300.54	8.05	-125.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN=C(CC3=CC=C(Cl)C=C3)S1)C2	REAL300011251151	0	40	-2.0	-136.48	365.46	10.05	-126.43
CC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011251152	0	36	-2.0	-131.51	306.53	8.36	-123.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=C([N+](=O)[O-])S1)C2	REAL300011251153	0	30	-2.0	-125.60	280.00	6.87	-118.73
CCS(=O)(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300011251154	0	41	-2.0	-139.77	347.15	6.04	-133.73
CCS(=O)(=O)C1=CC=CC=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251155	0	41	-2.0	-134.06	337.68	7.11	-126.95
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=C(C(F)(F)F)S1)C2	REAL300011251156	0	31	-2.0	-126.21	290.49	6.99	-119.22
CC1=CC=CC([N+](=O)[O-])=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251157	0	37	-2.0	-131.50	296.33	9.69	-121.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN=C(C(F)F)O1)C2	REAL300011251158	0	30	-2.0	-127.63	272.82	1.44	-126.19
CN1N=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CN=C21	REAL300011251159	0	36	-2.0	-132.72	301.30	7.72	-125.00
CCC(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C(S(N)(=O)=O)=C1	REAL300011251160	0	45	-2.0	-129.84	377.48	4.69	-125.15
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3SC=CC3=NC=N1)C2	REAL300011251161	0	33	-2.0	-135.41	290.60	7.96	-127.45
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC(C(F)(F)F)=CC=N1)C2	REAL300011251162	0	34	-2.0	-132.74	300.71	8.07	-124.67
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=CC(C(F)(F)F)=N1)C2	REAL300011251163	0	34	-2.0	-141.19	299.09	8.14	-133.05
CC(=O)C1=CC=C([N+](=O)[O-])C=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251164	0	39	-2.0	-154.70	333.90	9.73	-144.97
CCCC1=NSC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251165	0	36	-2.0	-123.02	305.48	7.23	-115.79
CC1=CC=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011251166	0	37	-2.0	-133.10	315.00	9.44	-123.66
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C(F)(F)F)=CS1)C2	REAL300011251167	0	31	-2.0	-124.06	288.74	6.31	-117.75
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251168	0	40	-2.0	-131.42	348.42	7.09	-124.33
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(C(F)(F)F)N=N1)C2	REAL300011251169	0	33	-2.0	-137.46	296.96	6.87	-130.59
CC(=O)C1=C(C)SC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251170	0	36	-2.0	-124.51	312.35	7.03	-117.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=C([N+](=O)[O-])C=C3)=CS1)C2	REAL300011251171	0	40	-2.0	-128.31	355.39	9.78	-118.53
COC1=CC=C(C2=NN=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)S2)C=C1	REAL300011251172	0	41	-2.0	-137.85	354.85	8.03	-129.82
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CN=CC(OCCO)=N1)C2	REAL300011251173	0	38	-2.0	-136.88	321.68	1.67	-135.21
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=NC3=CC=CC(F)=C31)C2	REAL300011251174	0	36	-2.0	-140.02	308.76	9.55	-130.47
N#CC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1Cl	REAL300011251175	0	32	-2.0	-138.17	295.71	7.83	-130.34
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=NC=C1Br)C2	REAL300011251176	0	30	-2.0	-130.14	272.04	7.44	-122.70
CC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C(C#N)C=N1	REAL300011251177	0	35	-2.0	-126.71	295.68	6.65	-120.06
CC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=CC=C1C#N	REAL300011251178	0	35	-2.0	-133.94	301.48	7.91	-126.03
CCC1=NC=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=C1F	REAL300011251179	0	36	-2.0	-130.74	301.13	8.31	-122.43
COC1=NC=C(Cl)C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251180	0	34	-2.0	-135.20	300.66	4.19	-131.01
CCC1=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C(C)N=C2S1	REAL300011251181	0	42	-2.0	-132.57	349.06	9.62	-122.95
CC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC2=CC=CC=C12	REAL300011251182	0	39	-2.0	-145.94	319.21	9.59	-136.35
CC(C)(C)C1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=N1	REAL300011251183	0	42	-2.0	-134.25	333.83	9.53	-124.72
CC(C)(C)N1N=CC2=C1N=C(N1CC3(C(=O)[O-])CCC3(C(=O)[O-])C1)NC2=O	REAL300011251184	0	46	-2.0	-127.73	373.81	10.01	-117.72
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC3=NC=CN=C31)C2	REAL300011251185	0	35	-2.0	-140.04	292.89	5.76	-134.28
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC3=C1N=CNC3=O)C2	REAL300011251186	0	36	-2.0	-143.07	303.34	6.39	-136.68
CC1=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CC=C2C=C1	REAL300011251187	0	40	-2.0	-142.05	321.09	10.01	-132.04
CC1=CC=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CC=C12	REAL300011251188	0	40	-2.0	-141.62	318.73	9.89	-131.73
CCCCC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=N1	REAL300011251189	0	42	-2.0	-133.60	339.70	9.90	-123.70
COCC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=N1	REAL300011251190	0	37	-2.0	-134.37	309.51	6.68	-127.69
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(OC(F)F)C=N1)C2	REAL300011251191	0	35	-2.0	-142.36	300.79	6.55	-135.81
CC1=CC=CC2=CC=NC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=C12	REAL300011251192	0	40	-2.0	-144.05	313.21	11.44	-132.61
CC(O)C1=CC=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251193	0	38	-2.0	-139.02	309.93	5.42	-133.60
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC3=NC=CC=C3C=N1)C2	REAL300011251194	0	35	-2.0	-144.33	297.66	8.22	-136.11
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C([N+](=O)[O-])C(OC(F)F)=C1)C2	REAL300011251195	0	38	-2.0	-128.85	325.09	8.55	-120.30
COC1=CC=C(C2=NC=CC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=N2)C=C1	REAL300011251196	0	44	-2.0	-137.06	363.36	9.30	-127.76
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3C=CSC3=NC(C3=CC=CC=N3)=N1)C2	REAL300011251197	0	42	-2.0	-150.28	362.93	9.46	-140.82
CCOC1=CC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC(C)=N1	REAL300011251198	0	40	-2.0	-132.55	330.21	6.28	-126.27
CC1=C(Cl)C=CC2=CC=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=C21	REAL300011251199	0	40	-2.0	-139.77	336.32	10.55	-129.22
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC(N3CC4=CC=CC=C4C3)=N1)C2	REAL300011251200	1	46	-2.0	-136.01	375.15	10.46	-125.55
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC(C3=CC=CC=C3)=NC3=CC=NN31)C2	REAL300011251201	0	44	-2.0	-130.97	363.03	12.22	-118.75
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC(C3=CC=CC([N+](=O)[O-])=C3)=CS1)C2	REAL300011251202	0	40	-2.0	-127.40	355.33	9.79	-117.61
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC(C3CC3)=NC(C3CC3)=N1)C2	REAL300011251203	0	44	-2.0	-138.09	358.62	10.53	-127.56
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=NC(CSC3=CC=CC=C3)=N1)C2	REAL300011251205	0	44	-2.0	-138.73	376.22	10.94	-127.79
CC1=CC(C(C)C)=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251206	0	42	-2.0	-138.71	336.43	9.50	-129.21
CN1N=CC=C1C1=CC=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251207	0	40	-2.0	-137.29	330.38	8.06	-129.23
COC1=C(C)N=CN=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251209	0	37	-2.0	-136.26	308.08	6.96	-129.30
CC1=CC([N+](=O)[O-])=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1S(N)(=O)=O	REAL300011251210	0	42	-2.0	-145.59	359.77	5.21	-140.38
CC(C)C1=CC2=C(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)N=CN=C2C=C1	REAL300011251211	0	45	-2.0	-136.67	354.86	10.94	-125.73
COC1=C(C)N=C(C2CC2)N=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251212	0	44	-2.0	-138.64	358.44	8.78	-129.86
NS(=O)(=O)C1=CC=C2NC(N3CC4(C(=O)[O-])CCC4(C(=O)[O-])C3)=NC2=C1	REAL300011251213	0	40	-2.0	-141.98	345.67	3.41	-138.57
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(S(=O)(=O)N3CCCC3)C=C1)C2	REAL300011251214	0	47	-2.0	-133.34	382.30	6.64	-126.70
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CN=C1C1=CC=CC=C1)C2	REAL300011251215	0	40	-2.0	-138.22	326.64	9.64	-128.58
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=CC3=NN=CN31)C2	REAL300011251216	0	34	-2.0	-126.24	281.01	9.77	-116.47
CN(C)S(=O)(=O)C1=CC=CC=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251217	0	43	-2.0	-135.69	342.23	6.84	-128.85
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3SC=CC3=NC=C1)C2	REAL300011251218	0	34	-2.0	-129.52	291.34	6.93	-122.59
CNS(=O)(=O)C1=CC=CC=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251219	0	40	-2.0	-132.68	336.74	4.61	-128.07
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CN3C=CN=C13)C2	REAL300011251220	0	34	-2.0	-141.64	288.66	8.48	-133.16
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=C3C=CSC3=CC=N1)C2	REAL300011251221	0	34	-2.0	-138.18	294.53	8.30	-129.88
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=C(C(F)(F)F)N=C1)C2	REAL300011251222	0	34	-2.0	-126.84	298.33	6.90	-119.94
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC=CN=C1C(F)(F)F)C2	REAL300011251223	0	34	-2.0	-127.80	296.26	8.10	-119.70
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NN=NN1CC1=CC=CC=C1)C2	REAL300011251224	0	40	-2.0	-132.13	336.57	9.32	-122.81
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=CC(C3CC3)=NC=N1)C2	REAL300011251225	0	37	-2.0	-134.13	304.19	8.98	-125.15
CC1=CC(C(F)(F)F)=CN=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251226	0	37	-2.0	-134.46	315.81	8.85	-125.61
C=CCNS(=O)(=O)C1=CC=CC=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251227	0	44	-2.0	-132.59	370.79	5.99	-126.60
CC(C)N(C)S(=O)(=O)C1=CC=C(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)C=C1	REAL300011251228	0	49	-2.0	-129.03	393.80	6.91	-122.12
O=C([O-])C12CCC1(C(=O)[O-])CN(C1=NC=CC3=CC=CC=C31)C2	REAL300011251229	0	37	-2.0	-141.71	299.68	9.36	-132.35
CCOC1=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=NC=C1C	REAL300011251230	0	40	-2.0	-134.30	330.93	7.14	-127.16
CCOC1=CC=NC(N2CC3(C(=O)[O-])CCC3(C(=O)[O-])C2)=N1	REAL300011251231	0	37	-2.0	-133.29	310.63	6.41	-126.88
CCNC1=NC=CN=C1N1CC2(C(=O)[O-])CCC2(C(=O)[O-])C1	REAL300011251232	0	38	-2.0	-137.23	309.29	6.33	-130.90
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4(CCC4)CC3CC(=O)[O-])N=C2)=N1	REAL300011252723	1	49	-2.0	-100.80	392.17	7.47	-93.33
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4(CC4)C[C@H]3CC(=O)[O-])N=C2)=N1	REAL300011253582	1	46	-2.0	-100.82	377.57	7.05	-93.77
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4=CC(F)=C(C(=O)[O-])C=C4C3)N=C2)=N1	REAL300011254172	1	46	-2.0	-106.33	381.58	7.53	-98.80
COC1CN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)CCC1C(=O)[O-]	REAL300011254988	1	46	-2.0	-93.72	371.79	5.07	-88.65
CC[C@@H](CC(=O)[O-])NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300011255291	1	41	-2.0	-101.36	336.39	5.41	-95.95
O=C([O-])C1=CC(NCCC([O-])(C(F)(F)F)C(F)(F)F)=CC=C1[N+](=O)[O-]	REAL300011255431	1	33	-2.0	-92.07	315.05	5.67	-86.40
O=C([O-])C1=CC=C(NCCC([O-])(C(F)(F)F)C(F)(F)F)N=N1	REAL300011255434	1	29	-2.0	-85.65	279.28	2.60	-83.05
O=C([O-])C1=COC(NCCC([O-])(C(F)(F)F)C(F)(F)F)=N1	REAL300011255435	1	27	-2.0	-88.63	268.29	-0.14	-88.77
O=C([O-])C1=CN=C(NCCC([O-])(C(F)(F)F)C(F)(F)F)N=C1	REAL300011255436	1	29	-2.0	-84.79	280.45	4.32	-80.47
O=C([O-])C1=CC=NC(NCCC([O-])(C(F)(F)F)C(F)(F)F)=C1[N+](=O)[O-]	REAL300011255438	1	32	-2.0	-88.98	311.98	5.35	-83.63
O=C([O-])CC1=CC=C(NCCC([O-])(C(F)(F)F)C(F)(F)F)C([N+](=O)[O-])=C1	REAL300011255440	1	36	-2.0	-83.88	336.11	6.24	-77.64
CC1=CC(NCCC([O-])(C(F)(F)F)C(F)(F)F)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011255442	1	36	-2.0	-85.52	329.57	6.11	-79.41
O=C([O-])C1=CC=C([N+](=O)[O-])C(NCCC([O-])(C(F)(F)F)C(F)(F)F)=N1	REAL300011255443	1	32	-2.0	-94.89	309.37	4.82	-90.07
O=C([O-])C1=CN=C(NCCC([O-])(C(F)(F)F)C(F)(F)F)N=C1	REAL300011255445	1	29	-2.0	-84.79	280.45	4.32	-80.47
O=C([O-])C1=CN=C(NCCC([O-])(C(F)(F)F)C(F)(F)F)C([N+](=O)[O-])=C1	REAL300011255446	1	32	-2.0	-79.82	308.45	4.84	-74.98
O=C([O-])C1=CN=C(NCCC([O-])(C(F)(F)F)C(F)(F)F)S1	REAL300011255447	1	27	-2.0	-89.06	276.32	3.06	-86.00
O=C([O-])C1=CC2=NC=NC(NCCC([O-])(C(F)(F)F)C(F)(F)F)=C2C=C1	REAL300011255451	1	35	-2.0	-86.58	323.35	5.99	-80.59
O=C([O-])C1=CC=CC([N+](=O)[O-])=C1NCCC([O-])(C(F)(F)F)C(F)(F)F	REAL300011255453	1	33	-2.0	-109.66	308.68	5.67	-103.99
O=C([O-])C1=CN=C(NCCC([O-])(C(F)(F)F)C(F)(F)F)C=N1	REAL300011255455	1	29	-2.0	-86.64	278.92	1.80	-84.84
O=C([O-])C1=CN=C(NCCC([O-])(C(F)(F)F)C(F)(F)F)C([N+](=O)[O-])=C1	REAL300011255456	1	32	-2.0	-79.82	308.45	4.84	-74.98
CC1=NC(NCCC([O-])(C(F)(F)F)C(F)(F)F)=NC=C1C(=O)[O-]	REAL300011255457	1	32	-2.0	-84.89	296.81	4.81	-80.08
O=C([O-])C1=CC=C(NCCC([O-])(C(F)(F)F)C(F)(F)F)N=N1	REAL300011255458	1	29	-2.0	-85.65	279.28	2.60	-83.05
O=C([O-])CC1=CC=C(NCCC([O-])(C(F)(F)F)C(F)(F)F)C([N+](=O)[O-])=C1	REAL300011255459	1	36	-2.0	-83.88	336.11	6.24	-77.64
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=NC3=CC=CC=C32)C1	REAL300011255672	0	35	-2.0	-111.74	299.84	8.41	-103.33
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)C=N2)C1	REAL300011255673	0	33	-2.0	-111.25	291.37	7.37	-103.88
CS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011255674	0	39	-2.0	-134.76	343.98	6.37	-128.39
CC(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011255675	0	38	-2.0	-131.56	322.67	9.24	-122.32
NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011255676	0	38	-2.0	-130.81	337.47	3.80	-127.01
NC1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011255677	0	35	-2.0	-131.55	298.44	6.73	-124.82
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN=NN2C2=CC=CC=C2)C1	REAL300011255678	0	36	-2.0	-107.40	296.58	8.95	-98.45
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300011255679	0	36	-2.0	-123.14	322.36	9.86	-113.28
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C(C(F)(F)F)=C2)C1	REAL300011255680	0	36	-2.0	-98.38	316.19	8.19	-90.19
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300011255681	0	36	-2.0	-123.14	322.36	9.86	-113.28
CC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C2C(=N1)SC1=C2CCC1	REAL300011255682	0	42	-2.0	-113.99	347.42	9.84	-104.15
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3C(=NC=N2)SC2=C3CCCC2)C1	REAL300011255683	0	42	-2.0	-111.38	350.43	10.73	-100.65
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3C(C4=CC=CC=C4)=CSC3=NC=N2)C1	REAL300011255684	0	42	-2.0	-111.88	363.27	12.00	-99.88
CC1=C(C)C2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CN=C2S1	REAL300011255685	0	38	-2.0	-110.57	327.89	9.44	-101.13
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3C(=NC=N2)SC2=C3CCC2)C1	REAL300011255686	0	39	-2.0	-111.05	337.35	9.22	-101.83
CC1CCC2=C(C1)SC1=NC=NC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300011255687	0	45	-2.0	-111.54	372.93	11.23	-100.31
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3C=C(C4=CC=CC=C4)SC3=NC=N2)C1	REAL300011255688	0	42	-2.0	-110.67	361.44	10.80	-99.87
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3C=CSC3=NC=N2)C1	REAL300011255689	0	32	-2.0	-107.62	284.18	7.14	-100.48
CC1=CC=C(C2=CSC3=NC=NC(N4CC(C(=O)[O-])CC(C(=O)[O-])C4)=C23)C=C1	REAL300011255690	0	45	-2.0	-112.58	384.77	12.67	-99.91
CC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300011255691	0	45	-2.0	-111.75	383.27	10.75	-101.00
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=CS3)=NC3=CC=CC=C32)C1	REAL300011255692	0	42	-2.0	-118.75	370.88	10.55	-108.20
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=CC=C3C=C2)C1	REAL300011255693	0	36	-2.0	-117.07	302.45	8.38	-108.69
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(C(=O)C3=CC=CC=C3)C=C2[N+](=O)[O-])C1	REAL300011255694	0	45	-2.0	-127.80	378.81	12.09	-115.71
CNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011255695	0	41	-2.0	-129.76	359.90	5.01	-124.75
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(S(=O)(=O)N3CCOCC3)C=N2)C1	REAL300011255696	0	46	-2.0	-112.16	384.77	3.76	-108.40
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(S(=O)(=O)N3CCCCC3)C=N2)C1	REAL300011255697	0	48	-2.0	-111.96	393.52	6.18	-105.78
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(S(=O)(=O)N3CCCC3)C=N2)C1	REAL300011255698	0	45	-2.0	-111.67	378.34	5.33	-106.34
CCN(CC)S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300011255699	0	47	-2.0	-118.08	389.45	6.09	-111.99
CC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300011255700	0	45	-2.0	-112.86	385.02	11.94	-100.92
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=CC=C3)=NC3=CC=CC=C32)C1	REAL300011255701	0	45	-2.0	-118.97	379.21	11.69	-107.28
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=CN=C3)=NC3=CC=CC=C32)C1	REAL300011255702	0	44	-2.0	-120.55	374.18	9.92	-110.63
CC1=CC2=NC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=CC(C)=C2C=C1	REAL300011255703	0	42	-2.0	-118.92	341.72	9.58	-109.34
CC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC2=CC=CC=C12	REAL300011255704	0	39	-2.0	-118.08	320.37	8.93	-109.15
CC1=NC2=NC=NN2C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300011255705	0	35	-2.0	-115.30	287.99	10.80	-104.50
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(C3=CC=CC=C3)=NC3=NC=NN32)C1	REAL300011255706	0	42	-2.0	-117.76	343.16	13.83	-103.93
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C(F)(F)F)=NC3=CC=CC=C32)C1	REAL300011255707	0	38	-2.0	-112.92	340.57	8.78	-104.14
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=CC=C3S2)C1	REAL300011255708	0	33	-2.0	-118.00	290.58	7.53	-110.47
CS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011255709	0	39	-2.0	-134.76	343.98	6.37	-128.39
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=CC=C3C(C3=CC=CC=C3)=N2)C1	REAL300011255710	0	45	-2.0	-123.70	372.77	11.89	-111.81
CC1=NN2C(=C1)N=C(N1CC(C(=O)[O-])CC(C(=O)[O-])C1)C1=CC=CC=C12	REAL300011255711	0	42	-2.0	-112.44	348.12	10.52	-101.92
O=C([O-])C1CC(C(=O)[O-])CN(C2=C([N+](=O)[O-])N3C=CSC3=N2)C1	REAL300011255712	0	33	-2.0	-118.82	306.95	9.12	-109.70
O=C([O-])C1CC(C(=O)[O-])CN(C2=C([N+](=O)[O-])N3C=CC=CC3=N2)C1	REAL300011255713	0	36	-2.0	-122.47	316.49	9.89	-112.58
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC3=C(C=C2[N+](=O)[O-])C(=O)N=CN3)C1	REAL300011255714	0	38	-2.0	-136.29	328.08	7.17	-129.12
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3SC=CC3=NC=N2)C1	REAL300011255715	0	32	-2.0	-109.22	284.63	7.08	-102.14
CC1=CC(C)=NN1C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300011255716	0	42	-2.0	-116.35	349.23	8.63	-107.72
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN3C(=NN=C3C(F)(F)F)C=C2)C1	REAL300011255717	0	35	-2.0	-103.32	319.09	8.74	-94.58
CC1=NN=C2C=CC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=NN12	REAL300011255718	0	35	-2.0	-103.89	299.60	8.48	-95.41
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3C=NN(C4=CC=CC=C4)C3=NC=N2)C1	REAL300011255719	0	42	-2.0	-109.09	354.70	10.24	-98.85
CC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011255720	0	36	-2.0	-100.19	302.08	7.97	-92.22
CN1N=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CN=C21	REAL300011255721	0	35	-2.0	-111.06	292.26	6.90	-104.16
CN(C)C1=CC(C(F)(F)F)=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255722	0	40	-2.0	-111.83	346.71	9.05	-102.78
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(C(F)(F)F)=NC3=CC=CC=C32)C1	REAL300011255724	0	39	-2.0	-112.24	337.55	8.95	-103.29
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=NC=C3)=NC3=CC=CC=C32)C1	REAL300011255725	0	44	-2.0	-115.80	374.34	9.91	-105.89
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=CC=C3N=C2)C1	REAL300011255726	0	35	-2.0	-112.64	297.55	6.38	-106.26
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300011255727	0	38	-2.0	-118.20	322.72	8.16	-110.04
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=CC=C3)=CS2)C1	REAL300011255728	0	37	-2.0	-109.05	325.78	8.67	-100.38
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=C(F)C=C3)=CS2)C1	REAL300011255729	0	37	-2.0	-106.75	332.17	8.74	-98.01
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC(C(F)(F)F)=N2)C1	REAL300011255730	0	32	-2.0	-110.30	293.26	7.54	-102.76
CCC1=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CN=C2S1	REAL300011255731	0	38	-2.0	-107.85	327.53	8.71	-99.14
CC1=NC2=CC=CC=C2N=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255732	0	38	-2.0	-115.00	321.24	7.41	-107.59
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=NC3=CC(C(F)(F)F)=CC=C32)C1	REAL300011255733	1	39	-2.0	-102.41	334.22	8.29	-94.12
CC1=CC=C([N+](=O)[O-])C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300011255734	0	36	-2.0	-131.53	304.72	9.52	-122.01
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C(C(F)(F)F)=C2)C1	REAL300011255735	0	36	-2.0	-98.38	316.19	8.19	-90.19
CC1=CC([N+](=O)[O-])=CC=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255736	0	36	-2.0	-107.25	305.58	8.94	-98.31
COC1=CC2=NC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=NC(N)=C2C=C1OC	REAL300011255738	1	45	-2.0	-127.17	364.27	6.78	-120.39
CC1=CC2=CC=CC=C2N=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255739	0	39	-2.0	-120.06	325.95	9.41	-110.65
CC(=O)C1=CC([N+](=O)[O-])=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300011255740	0	35	-2.0	-121.91	317.96	8.13	-113.78
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(C(F)(F)F)=CC=N2)C1	REAL300011255741	0	33	-2.0	-107.98	295.30	7.21	-100.77
CC1=NN(C)C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011255742	0	36	-2.0	-107.37	299.85	6.60	-100.77
CC(=O)C1=CC([N+](=O)[O-])=CC=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255743	0	38	-2.0	-121.30	323.69	9.29	-112.01
CC1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011255744	0	36	-2.0	-130.84	304.72	9.51	-121.33
CC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC=C1[N+](=O)[O-]	REAL300011255745	0	35	-2.0	-103.89	303.56	7.50	-96.39
COC1=CC=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011255746	0	37	-2.0	-134.10	316.29	7.31	-126.79
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=CC(C(F)(F)F)=N2)C1	REAL300011255747	0	33	-2.0	-112.68	296.76	7.32	-105.36
COC1=CC(OC)=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255748	0	37	-2.0	-112.78	311.86	3.73	-109.05
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=CC(C(F)(F)F)=N2)C1	REAL300011255749	0	33	-2.0	-112.68	296.76	7.32	-105.36
CC1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011255750	0	36	-2.0	-130.84	304.72	9.51	-121.33
CN(C)S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300011255751	0	41	-2.0	-118.29	348.23	4.37	-113.92
CC(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011255752	0	38	-2.0	-131.56	322.67	9.24	-122.32
CC1=CC=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011255753	0	35	-2.0	-118.30	309.84	7.73	-110.57
COC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011255754	0	37	-2.0	-101.35	314.09	7.55	-93.80
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300011255755	0	36	-2.0	-112.08	322.64	9.37	-102.71
O=C([O-])C1CC(C(=O)[O-])CN(C2=C([N+](=O)[O-])C=CS2)C1	REAL300011255756	0	30	-2.0	-124.52	277.27	7.64	-116.88
CCCC1=NC2=NC=NN2C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300011255757	0	41	-2.0	-114.87	329.55	12.59	-102.28
CC(C)C1=NC2=NC=NN2C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300011255758	0	41	-2.0	-115.18	328.58	12.40	-102.78
CCC1=NC2=NC=NN2C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300011255759	0	38	-2.0	-115.14	308.06	11.83	-103.31
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(C(F)(F)F)=NC3=NC=NN32)C1	REAL300011255760	0	35	-2.0	-108.14	306.90	11.29	-96.85
CC1=NC2=NC(C(F)(F)F)=NN2C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300011255761	0	38	-2.0	-113.58	330.14	10.95	-102.63
CC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C2C(CC(C)C)=CSC2=N1	REAL300011255762	0	47	-2.0	-113.65	388.45	10.60	-103.05
CCC(CC)NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300011255763	0	50	-2.0	-118.56	405.95	5.69	-112.87
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(S(=O)(=O)NCC3CC3)C=N2)C1	REAL300011255764	0	45	-2.0	-112.38	385.55	4.77	-107.61
CCCC(C)NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300011255765	0	50	-2.0	-118.13	409.65	5.54	-112.59
CC(C)CCNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300011255766	0	50	-2.0	-112.41	414.64	5.27	-107.14
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN3C(=NN=C3C3=CC=CC=C3)C=C2)C1	REAL300011255767	0	42	-2.0	-115.02	351.65	11.58	-103.44
CC1=CC([N+](=O)[O-])=CN=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255768	0	35	-2.0	-107.18	304.78	7.89	-99.29
CC1=CSC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CN=C12	REAL300011255769	0	35	-2.0	-109.35	306.21	7.75	-101.60
CC1=CSC2=NC=NC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300011255770	0	35	-2.0	-110.10	309.67	8.76	-101.34
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=CC=C3N=C2N2CCOCC2)C1	REAL300011255771	0	48	-2.0	-116.79	390.99	6.37	-110.42
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=CC=C3N=C2N2CCCCC2)C1	REAL300011255772	0	50	-2.0	-119.71	380.64	11.16	-108.55
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=CC=C3N=C2N2CCCC2)C1	REAL300011255773	0	47	-2.0	-117.01	368.79	10.03	-106.98
NS(=O)(=O)C1=CC=CN=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255774	0	35	-2.0	-117.24	302.57	2.77	-114.47
NC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC=C1[N+](=O)[O-]	REAL300011255775	0	33	-2.0	-109.51	287.76	6.23	-103.28
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300011255776	0	36	-2.0	-111.68	309.58	6.26	-105.42
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3NC=NC3=NC(C(F)(F)F)=N2)C1	REAL300011255777	0	35	-2.0	-107.95	315.18	7.19	-100.76
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3N=CNC3=NC(C(F)(F)F)=N2)C1	REAL300011255777	1	35	-2.0	-115.31	316.66	7.36	-107.95
CC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C(F)(F)F)=N1	REAL300011255778	0	35	-2.0	-108.38	309.97	7.24	-101.14
CC1=CC=C(N2N=NN=C2N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300011255779	0	39	-2.0	-107.96	317.96	9.63	-98.33
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=C([N+](=O)[O-])C=C3C=C2)C1	REAL300011255780	0	38	-2.0	-109.43	330.48	9.05	-100.38
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300011255781	0	36	-2.0	-123.14	322.36	9.86	-113.28
O=C([O-])C1CC(C(=O)[O-])CN(C2=CN=CC(N3C=CC=N3)=N2)C1	REAL300011255782	0	36	-2.0	-106.05	310.55	6.28	-99.77
COC1=CC=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=C(C)N=C12	REAL300011255783	0	43	-2.0	-109.79	347.12	7.28	-102.51
CC1=CN=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011255784	0	35	-2.0	-125.83	294.21	9.30	-116.53
CC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC(C2=CC=CN=C2)=N1	REAL300011255785	0	41	-2.0	-115.78	347.40	8.09	-107.69
CC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300011255786	0	44	-2.0	-114.44	376.83	10.74	-103.70
O=C([O-])C1CC(C(=O)[O-])CN(C2=C([N+](=O)[O-])C3=CC=CN=C3C=C2)C1	REAL300011255787	0	38	-2.0	-128.17	326.98	8.42	-119.75
CC1=NN(C2=CC=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=N2)C=C1	REAL300011255788	0	39	-2.0	-111.25	334.17	7.85	-103.40
NC1=CC=C([N+](=O)[O-])C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300011255789	0	35	-2.0	-133.30	297.63	6.71	-126.59
CC(=O)C1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011255790	0	38	-2.0	-102.04	324.78	8.98	-93.06
CC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C2C=NN(C)C2=N1	REAL300011255791	0	38	-2.0	-107.18	319.17	6.72	-100.46
COC1=CC2=CC=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=C2C=C1	REAL300011255792	0	40	-2.0	-114.56	331.83	7.68	-106.88
CC(C)COC1=CN=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255793	0	42	-2.0	-106.55	346.80	5.39	-101.16
CC1=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CN=C2C=C1	REAL300011255794	0	38	-2.0	-112.11	321.19	9.06	-103.05
CC1=NOC(C2=CC=CN=C2N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255795	0	38	-2.0	-119.51	329.58	6.24	-113.27
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])S2)C1	REAL300011255796	0	30	-2.0	-104.85	276.28	6.93	-97.92
CN1C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC2=C1C(=O)NC(=O)N2C	REAL300011255797	0	40	-2.0	-102.47	334.39	6.07	-96.40
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN3C(=NN=C3C3=CC=CC=C3F)C=C2)C1	REAL300011255798	0	42	-2.0	-107.19	359.61	11.68	-95.51
O=C([O-])C1CC(C(=O)[O-])CN(C2=CN=CC(N3C=NC=N3)=N2)C1	REAL300011255799	0	35	-2.0	-103.07	305.32	7.64	-95.43
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=NC=CN=C3C=C2)C1	REAL300011255800	0	34	-2.0	-118.90	292.26	5.51	-113.39
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(N3C=CN=C3)N=N2)C1	REAL300011255801	0	36	-2.0	-112.50	309.73	8.46	-104.04
NS(=O)(=O)C1=CN=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300011255802	0	32	-2.0	-108.17	304.15	0.13	-108.04
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=CC(Cl)=C3)=NO2)C1	REAL300011255803	0	36	-2.0	-103.41	331.70	6.66	-96.75
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=NNC=C3C(=O)N2)C1	REAL300011255804	0	33	-2.0	-108.77	287.03	6.67	-102.10
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=C(C=NN3)C(=O)N2)C1	REAL300011255804	1	33	-2.0	-98.99	286.71	6.48	-92.51
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300011255805	0	36	-2.0	-103.86	322.66	8.36	-95.50
CC1=NN=C2C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=NC=CN12	REAL300011255806	0	35	-2.0	-127.47	293.03	8.77	-118.70
CN1N=CC2=C1N=C(N1CC(C(=O)[O-])CC(C(=O)[O-])C1)NC2=O	REAL300011255807	0	36	-2.0	-100.02	309.67	7.69	-92.33
CN1C=NC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CN=C21	REAL300011255808	0	35	-2.0	-118.25	298.63	8.61	-109.64
CCN1C=NC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CN=C21	REAL300011255809	0	38	-2.0	-124.69	316.66	9.69	-115.00
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC(N3CCOCC3)=N2)C1	REAL300011255810	1	42	-2.0	-122.19	335.99	6.61	-115.58
CNS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300011255813	0	38	-2.0	-118.69	329.27	2.55	-116.14
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=NC(C3=CC=CC=C3)=N2)C1	REAL300011255814	0	39	-2.0	-113.57	330.74	9.28	-104.29
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=CN=C3)=NC3=C2CCC3)C1	REAL300011255815	0	45	-2.0	-118.52	367.59	9.19	-109.33
CC1=NOC(C2=CC=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=C2)=N1	REAL300011255816	0	38	-2.0	-108.88	328.66	5.56	-103.32
CC1=NC(C(C)(C)C)=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300011255817	0	47	-2.0	-113.78	373.02	9.38	-104.40
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC=C2S(=O)(=O)N2CCCCC2)C1	REAL300011255818	0	48	-2.0	-120.44	373.38	7.61	-112.83
CCC1=NN=C2C=CC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=NN21	REAL300011255819	0	38	-2.0	-111.25	316.87	9.15	-102.10
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN3C(=NN=C3C3CC3)C=C2)C1	REAL300011255820	0	39	-2.0	-104.74	330.97	10.00	-94.74
COC1=CC=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=CN=C12	REAL300011255821	0	40	-2.0	-117.75	326.31	7.20	-110.55
CCCOC1=CC=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=CN=C12	REAL300011255823	0	46	-2.0	-108.48	368.30	8.38	-100.10
CC1=CC=C(C2=NC3=CC=CC=C3C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)S1	REAL300011255828	0	45	-2.0	-119.65	392.77	11.36	-108.29
CC1=CC=CC2=NC=NC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300011255829	0	38	-2.0	-112.11	314.47	10.27	-101.84
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300011255830	0	36	-2.0	-112.08	322.64	9.37	-102.71
CCC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC(C2=CC=NC=C2)=N1	REAL300011255831	0	44	-2.0	-110.55	368.38	8.88	-101.67
CCC1=CC(=O)NC(C2=CC=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=C2)=N1	REAL300011255832	0	45	-2.0	-111.21	375.94	7.46	-103.75
CC1=NC(C2=CC=NC=C2)=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300011255833	0	44	-2.0	-114.96	365.67	8.94	-106.02
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(OCC3=CC=CC=C3)=NC=N2)C1	REAL300011255834	0	43	-2.0	-107.92	365.32	8.47	-99.45
CC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC(C2=CC=CC=N2)=N1	REAL300011255835	0	41	-2.0	-120.83	348.26	8.02	-112.81
CC1=NOC2=NC=NC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300011255836	0	34	-2.0	-102.76	297.60	5.13	-97.63
CC1=NC(C2=CC=CN=C2)=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300011255840	0	44	-2.0	-119.73	367.25	8.99	-110.74
CC1=NC(C2=CC=CC=N2)=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300011255841	0	44	-2.0	-125.17	366.37	8.87	-116.30
CC1=C(C)C(=O)NC(C2=CC=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=C2)=N1	REAL300011255842	0	45	-2.0	-112.14	371.83	7.33	-104.81
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=C2)=N1	REAL300011255842	1	44	-3.0	-166.83	370.33	6.37	-160.46
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=CC=N3)=NC3=C2CCC3)C1	REAL300011255843	0	45	-2.0	-126.76	369.76	9.04	-117.72
CC1=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CN=C2S1	REAL300011255844	0	35	-2.0	-107.89	306.06	7.94	-99.95
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC(N3CCCC3)=N2)C1	REAL300011255845	1	41	-2.0	-113.74	331.79	8.14	-105.60
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(C(F)(F)F)=NC(C3=CC=CN=C3)=N2)C1	REAL300011255846	0	41	-2.0	-108.45	366.36	8.57	-99.88
CCOC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011255847	0	40	-2.0	-100.59	335.24	8.44	-92.15
CC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC(C2CC2)=N1	REAL300011255848	1	39	-2.0	-110.43	325.27	8.26	-102.17
CC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011255849	0	35	-2.0	-103.85	303.46	7.45	-96.40
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC([N+](=O)[O-])=CC=C3N2)C1	REAL300011255850	0	36	-2.0	-108.00	317.70	8.42	-99.58
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(N3C=CN=C3)=NC=N2)C1	REAL300011255851	0	36	-2.0	-105.95	309.69	9.49	-96.46
CC1=CC=C([N+](=O)[O-])C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255852	0	35	-2.0	-131.95	300.12	8.65	-123.30
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=CC=C3C=C2CO)C1	REAL300011255853	0	40	-2.0	-118.35	327.92	6.12	-112.23
CC1=CC=CC([N+](=O)[O-])=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255854	0	36	-2.0	-134.74	292.62	9.14	-125.60
CC1=CC=C2OC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=NC2=C1	REAL300011255855	0	36	-2.0	-118.85	301.49	5.29	-113.56
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)N=N2)C1	REAL300011255856	0	32	-2.0	-111.38	287.42	6.18	-105.20
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)C=N2)C1	REAL300011255857	0	33	-2.0	-111.25	291.37	7.37	-103.88
COC1=CC=C(C2=CC=NC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)C=C1	REAL300011255858	0	43	-2.0	-127.13	355.45	9.57	-117.56
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(C(F)(F)F)=CC=N2)C1	REAL300011255860	0	33	-2.0	-107.98	295.30	7.21	-100.77
CC1=NN(C)C2=NC=CC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300011255861	0	39	-2.0	-105.86	316.77	6.74	-99.12
CC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC=C1[N+](=O)[O-]	REAL300011255862	0	34	-2.0	-109.54	293.76	7.72	-101.82
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=C(C=NN3C3=CC=CC=C3)C(=O)N2)C1	REAL300011255863	0	43	-2.0	-102.64	366.90	11.21	-91.43
CC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(S(N)(=O)=O)C=C1[N+](=O)[O-]	REAL300011255864	0	41	-2.0	-112.91	351.38	4.02	-108.89
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=NC=C2C2=CC=CC=C2)C1	REAL300011255865	0	39	-2.0	-111.74	334.94	9.97	-101.77
CN1C2=CC=CC=C2N=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255866	0	37	-2.0	-113.63	307.19	9.18	-104.45
O=C([O-])C1CC(C(=O)[O-])CN(C2=CN=CC(C3=CC=CC=C3)=N2)C1	REAL300011255867	0	39	-2.0	-111.30	326.76	7.65	-103.65
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=CC=C3C(=O)N2)C1	REAL300011255868	0	36	-2.0	-104.69	306.68	9.00	-95.69
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=NC(C(F)(F)F)=C2)C1	REAL300011255869	0	33	-2.0	-100.72	292.73	6.06	-94.66
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3SC=CC3=NC=C2)C1	REAL300011255870	0	33	-2.0	-116.15	288.87	6.55	-109.60
CC1=CC(C(F)(F)F)=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255871	0	35	-2.0	-116.22	309.14	8.14	-108.08
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C3C(=O)CCCC3=N2)C1	REAL300011255872	0	39	-2.0	-110.46	321.18	7.78	-102.68
COC1=CC=CC2=NC=NC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300011255873	0	39	-2.0	-114.65	326.22	8.49	-106.16
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=CC(F)=C3S2)C1	REAL300011255875	0	33	-2.0	-109.86	301.40	7.62	-102.24
CC1=C2SC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=NC2=CC=C1	REAL300011255876	0	36	-2.0	-118.94	311.58	8.36	-110.58
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3N=CN(C4CC4)C3=NC=N2)C1	REAL300011255877	0	39	-2.0	-117.41	327.89	9.99	-107.42
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=NC3=CC=NC=C32)C1	REAL300011255878	0	35	-2.0	-105.53	290.68	5.41	-100.12
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=NC3=CN=CC=C32)C1	REAL300011255879	0	34	-2.0	-106.56	294.91	6.59	-99.97
CC1=NN2N=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=CC2=N1	REAL300011255880	0	35	-2.0	-116.56	296.03	7.73	-108.83
CC1=NN2C=CN=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C2=C1	REAL300011255881	0	36	-2.0	-108.07	302.02	7.46	-100.61
COC1=CC=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CC=C12	REAL300011255883	0	40	-2.0	-115.87	333.31	8.12	-107.75
COCC1=NN=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300011255884	0	33	-2.0	-111.24	295.19	4.14	-107.10
CC1=NC2=NC=NN2C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1C	REAL300011255885	0	38	-2.0	-113.87	317.95	11.23	-102.64
CC(C)OC1=CN=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255886	0	39	-2.0	-106.28	325.33	4.83	-101.45
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(C(F)(F)F)=NC(C3=CC=NC=C3)=N2)C1	REAL300011255887	0	41	-2.0	-103.84	365.83	8.50	-95.34
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=NC3=CC=C([N+](=O)[O-])C=C32)C1	REAL300011255888	0	37	-2.0	-110.33	327.88	9.07	-101.26
O=C([O-])C1CC(C(=O)[O-])CN(C2=NOC(C3=CC=CC=C3)=N2)C1	REAL300011255890	0	36	-2.0	-111.57	315.18	7.48	-104.09
O=C([O-])C1CC(C(=O)[O-])CN(C2=CN=CC(OCC3=CC=CC(Cl)=C3)=N2)C1	REAL300011255891	0	43	-2.0	-106.99	381.84	7.47	-99.52
CC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC2=NN=CN21	REAL300011255892	0	35	-2.0	-113.07	300.40	10.04	-103.03
COCCC1=NSC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255893	0	36	-2.0	-100.02	319.74	4.82	-95.20
CC(C)(C)C1=CC=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255894	0	41	-2.0	-122.98	328.50	9.20	-113.78
CC1=CSC2=NC(C)=NC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300011255895	0	38	-2.0	-111.16	331.50	8.71	-102.45
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=NC3=CN=CC=C32)C1	REAL300011255896	0	35	-2.0	-113.56	294.36	6.13	-107.43
CN1N=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C=CN=C21	REAL300011255897	0	36	-2.0	-114.65	301.14	6.14	-108.51
CS(=O)(=O)C1=CC=CN=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255898	0	36	-2.0	-118.44	315.92	4.51	-113.93
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C(F)(F)F)=NS2)C1	REAL300011255899	0	29	-2.0	-103.35	279.92	5.70	-97.65
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=C(C(F)F)C=N2)C1	REAL300011255900	0	32	-2.0	-116.93	279.05	7.32	-109.61
COCC1=CC([N+](=O)[O-])=CC=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255902	0	40	-2.0	-106.72	337.14	7.94	-98.78
CC(C)(C)C1=NC=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255903	0	41	-2.0	-106.89	331.90	7.67	-99.22
O=C([O-])C1CC(C(=O)[O-])CN(C2=CN=CC(SCC3=CC=CC=C3)=N2)C1	REAL300011255904	0	43	-2.0	-114.41	372.26	9.59	-104.82
CC(C)(C)C1=NSC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255905	0	38	-2.0	-101.59	325.34	6.92	-94.67
COCC1=NC(C)=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255906	0	39	-2.0	-110.55	328.40	5.56	-104.99
COC1=CC=CC(C2=NOC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)=C1	REAL300011255907	0	40	-2.0	-112.57	339.07	5.56	-107.01
CNC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC2=CC=CC=C21	REAL300011255908	0	40	-2.0	-128.00	327.71	8.70	-119.30
O=C([O-])C1CC(C(=O)[O-])CN(C2=C([N+](=O)[O-])C=CC3=C2CCN3)C1	REAL300011255909	0	39	-2.0	-135.22	314.49	7.86	-127.36
NC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC2=CC=CC=C12	REAL300011255910	0	37	-2.0	-129.28	305.77	7.52	-121.76
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=NC3=C2CCCC3)C1	REAL300011255911	0	39	-2.0	-114.72	311.38	8.70	-106.02
CC1=NC2=CC=C([N+](=O)[O-])C=C2C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300011255912	1	41	-2.0	-125.40	347.42	9.13	-116.27
CN(C)C1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC2=CC=CC=C21	REAL300011255913	0	43	-2.0	-125.34	350.30	9.21	-116.13
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=NC(N3CCCCC3)=N2)C1	REAL300011255914	1	44	-2.0	-111.85	348.66	8.88	-102.97
CC(C)(C)C1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC(C(C)(C)C)=N1	REAL300011255915	0	53	-2.0	-110.69	412.85	10.53	-100.16
COC1=NC(N2CCCCCC2)=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255916	0	50	-2.0	-118.11	382.74	8.10	-110.01
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=NC3=C([N+](=O)[O-])C=CC=C23)C1	REAL300011255917	0	38	-2.0	-109.91	317.02	8.42	-101.49
NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255918	0	38	-2.0	-112.13	335.14	3.46	-108.67
CC1=NN=C2C3=C(C=CC=C3)C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=NN12	REAL300011255919	0	41	-2.0	-107.93	343.02	10.53	-97.40
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300011255920	0	35	-2.0	-109.46	318.01	8.28	-101.18
CN1CCN(C2=NC3=CC=CC=C3N=C2N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300011255921	0	52	-2.0	-119.35	396.93	8.53	-110.82
CC1CCN(C2=NC3=CC=CC=C3N=C2N2CC(C(=O)[O-])CC(C(=O)[O-])C2)CC1	REAL300011255922	0	53	-2.0	-125.29	413.77	9.39	-115.90
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=NC3=C2C2=C(C=CC=C2)N3)C1	REAL300011255924	0	39	-2.0	-115.36	332.78	9.07	-106.29
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3C(=NC4=C3C=CC=C4)NC=N2)C1	REAL300011255924	1	39	-2.0	-119.99	335.20	10.22	-109.77
CC(C)NS(=O)(=O)C1=CC=CN=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255925	0	44	-2.0	-121.71	360.59	4.71	-117.00
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN3C(=NN=C3C(F)F)C=C2)C1	REAL300011255926	0	35	-2.0	-112.31	307.67	8.72	-103.59
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=NC(CC3=CC=CC=C3)=N2)C1	REAL300011255927	0	42	-2.0	-111.40	354.46	9.59	-101.81
CC(C)C1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC(C(C)(C)C)=N1	REAL300011255930	0	50	-2.0	-115.89	390.45	9.95	-105.94
CC(C)C1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC(C(C)C)=N1	REAL300011255931	0	47	-2.0	-109.42	374.96	9.02	-100.40
COC1=CC([N+](=O)[O-])=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1OC	REAL300011255932	0	41	-2.0	-125.62	341.97	8.07	-117.55
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C(F)(F)F)=CS2)C1	REAL300011255933	0	30	-2.0	-103.18	287.24	5.89	-97.29
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC(OC3=CC=CC=C3)=N2)C1	REAL300011255934	0	40	-2.0	-111.24	344.50	8.62	-102.62
COCC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC(C(C)(C)C)=N1	REAL300011255935	0	48	-2.0	-111.58	386.45	7.76	-103.82
COC1=CC2=NC=C([N+](=O)[O-])C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2C=C1	REAL300011255936	0	42	-2.0	-107.44	348.58	7.99	-99.45
NC1=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=CN=C1N1C=CC=N1	REAL300011255937	0	38	-2.0	-111.55	325.15	6.89	-104.66
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN=C(C3=CC=CC=N3)S2)C1	REAL300011255938	0	35	-2.0	-112.32	318.91	6.02	-106.30
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN=C(C(F)F)S2)C1	REAL300011255939	0	29	-2.0	-107.88	274.28	5.35	-102.53
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN=C(C3=NOC=C3)S2)C1	REAL300011255940	0	32	-2.0	-110.34	299.65	5.10	-105.24
COC1=CC=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)C(C)=CN=C12	REAL300011255941	0	43	-2.0	-117.59	337.59	7.53	-110.06
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=NC3=CC=CC([N+](=O)[O-])=C32)C1	REAL300011255942	0	37	-2.0	-123.37	320.72	10.86	-112.51
CC1=NC2=C(CCCC2)C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255943	1	42	-2.0	-116.08	332.61	8.82	-107.26
CC1=CC=C(C2=NOC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)C=C1	REAL300011255944	0	39	-2.0	-111.53	330.98	6.94	-104.59
COC1=CC=C(C2=NOC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)C=C1	REAL300011255945	0	40	-2.0	-110.38	339.03	5.58	-104.80
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(S(=O)(=O)N3CCCC3)=CC=N2)C1	REAL300011255946	0	45	-2.0	-113.91	378.56	5.35	-108.56
CC1=NC2=C([N+](=O)[O-])C=CC=C2C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300011255947	0	41	-2.0	-104.59	343.95	8.96	-95.63
CC1=C(S(N)(=O)=O)SC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255948	0	35	-2.0	-108.98	322.51	0.73	-108.25
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC3=CC(C(F)(F)F)=CC=C32)C1	REAL300011255949	0	39	-2.0	-112.31	343.30	9.76	-102.55
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(CN3CCOCC3)=CC=C2[N+](=O)[O-])C1	REAL300011255950	0	49	-2.0	-117.60	397.54	7.88	-109.72
CCOC1=CC=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011255952	0	40	-2.0	-118.61	335.68	7.91	-110.70
CC(C)OC1=CC=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255954	0	40	-2.0	-111.45	330.45	6.76	-104.69
CN(C1=CC=CC=C1)C1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC=N1	REAL300011255955	0	44	-2.0	-110.04	364.80	10.24	-99.80
CC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300011255956	0	39	-2.0	-107.65	343.06	10.30	-97.35
CC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011255958	0	36	-2.0	-100.19	302.08	7.97	-92.22
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=C(C3=CC=CC=C3)S2)C1	REAL300011255959	0	37	-2.0	-110.06	325.51	8.85	-101.21
CCC(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011255960	0	41	-2.0	-131.52	345.19	10.13	-121.39
CC(C)OC1=NC=CN=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255961	0	39	-2.0	-114.87	322.75	4.97	-109.90
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=CC=C3C=C2[N+](=O)[O-])C1	REAL300011255962	0	38	-2.0	-129.38	320.84	10.71	-118.67
NS(=O)(=O)C1=CC=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011255963	0	38	-2.0	-117.62	334.68	3.19	-114.43
CC1=CC2=CC=CC=C2C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255964	1	39	-2.0	-118.28	326.31	9.38	-108.90
O=C([O-])C1CC(C(=O)[O-])CN(C2=CN=CC(OC3CCCCC3)=N2)C1	REAL300011255966	0	46	-2.0	-109.00	366.95	6.75	-102.25
CCC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C2C=CSC2=N1	REAL300011255967	0	38	-2.0	-109.11	327.53	7.71	-101.40
CCOC1=C2C=CC=CC2=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=N1	REAL300011255968	0	42	-2.0	-118.07	353.28	6.82	-111.25
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC3=C([N+](=O)[O-])C=CC=C32)C1	REAL300011255969	0	38	-2.0	-109.68	330.04	9.33	-100.35
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN3C(=NN=C3C3=CSC=C3)C=C2)C1	REAL300011255970	0	39	-2.0	-106.24	347.09	10.45	-95.79
CC(C)(C)C1=NN=C2C=CC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=NN21	REAL300011255971	0	44	-2.0	-104.60	359.38	10.15	-94.45
CC(C)(C)N1N=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CN=C21	REAL300011255972	0	44	-2.0	-112.96	350.92	8.91	-104.05
CC1CC1C1=NN=C2C=CC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=NN21	REAL300011255973	0	42	-2.0	-112.85	345.26	10.57	-102.28
COC1=CC2=NC(C)=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=C2C=C1	REAL300011255974	0	42	-2.0	-112.82	350.60	6.72	-106.10
CC(C)OC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC=N1	REAL300011255975	0	39	-2.0	-106.97	325.53	6.33	-100.64
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(C(F)(F)F)=NC=C2[N+](=O)[O-])C1	REAL300011255976	0	35	-2.0	-116.42	319.17	8.12	-108.30
CC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC(C2=CC=CS2)=N1	REAL300011255977	0	39	-2.0	-113.96	344.07	8.74	-105.22
COCC1=NSC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255978	0	33	-2.0	-101.60	298.24	4.12	-97.48
CCC1=NN(C)C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011255979	0	39	-2.0	-107.57	321.27	7.34	-100.23
CCN1N=C(C)C([N+](=O)[O-])=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255980	0	39	-2.0	-109.44	328.41	7.55	-101.89
CS(=O)(=O)C1=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CN=C2C=C1	REAL300011255981	0	41	-2.0	-116.21	360.33	5.93	-110.28
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3C=C([N+](=O)[O-])SC3=NC=N2)C1	REAL300011255982	0	34	-2.0	-104.45	314.06	7.97	-96.48
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011255983	0	39	-2.0	-112.51	334.95	6.12	-106.39
NC1=NC2=NC=NC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C2C=C1	REAL300011255984	0	36	-2.0	-112.32	309.86	6.21	-106.11
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3CCCC3)=NS2)C1	REAL300011255986	0	39	-2.0	-101.10	329.37	7.63	-93.47
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3CCCCC3)=NS2)C1	REAL300011255987	0	42	-2.0	-101.09	348.08	8.18	-92.91
CC(C)C1=NC(N(C)C)=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255988	0	45	-2.0	-110.12	366.18	11.43	-98.69
O=C([O-])C1CC(C(=O)[O-])CN(C2=CN=CC(OCC3CCCC3)=N2)C1	REAL300011255990	0	46	-2.0	-107.46	370.56	6.64	-100.82
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C(C3=CC=CC=C3)=N2)C1	REAL300011255991	0	42	-2.0	-108.72	360.07	10.39	-98.33
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC(C3=CN=CC=N3)=N2)C1	REAL300011255992	0	37	-2.0	-124.01	318.26	6.85	-117.16
COCC1=NC(OC)=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255993	0	40	-2.0	-108.69	339.05	3.41	-105.28
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC3=CC=C([N+](=O)[O-])C=C32)C1	REAL300011255994	0	38	-2.0	-120.38	332.78	9.44	-110.94
CC1=C(C)C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NN2C1=NN=C2C(F)(F)F	REAL300011255995	0	41	-2.0	-105.47	352.36	9.58	-95.89
CS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1	REAL300011255996	0	36	-2.0	-117.37	317.12	3.72	-113.65
CCC1=CC(CC)=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011255997	0	41	-2.0	-123.23	332.24	9.31	-113.92
CC(C)(C)OC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011255998	0	46	-2.0	-100.74	363.96	9.34	-91.40
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=NC3=C2C2=C(C=CC=C2)S3)C1	REAL300011255999	0	38	-2.0	-112.45	334.05	10.32	-102.13
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC3=CC([N+](=O)[O-])=CC=C32)C1	REAL300011256001	0	38	-2.0	-111.14	332.78	9.44	-101.70
CCN1C(C)=NC([N+](=O)[O-])=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256002	0	39	-2.0	-110.77	324.20	9.13	-101.64
CCC1=NN=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N=C1CC	REAL300011256005	0	40	-2.0	-114.92	327.90	7.68	-107.24
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=C([N+](=O)[O-])C=C3C(=O)N2)C1	REAL300011256006	0	38	-2.0	-105.23	330.61	9.73	-95.50
CC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300011256007	0	39	-2.0	-111.82	337.93	9.87	-101.95
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C3=CN=CC=C32)C1	REAL300011256008	0	38	-2.0	-107.89	315.98	8.00	-99.89
CS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300011256009	0	37	-2.0	-119.98	314.11	4.41	-115.57
CS(=O)(=O)C1=CC=CC=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256010	0	37	-2.0	-114.54	317.92	5.53	-109.01
CC1=CN2N=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)SC2=N1	REAL300011256011	0	33	-2.0	-101.67	298.34	7.96	-93.71
CC1=CC(=O)N2N=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)SC2=N1	REAL300011256012	0	35	-2.0	-116.73	314.31	7.39	-109.34
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN3C=C(C4=CC=CC=C4)N=C3S2)C1	REAL300011256013	0	40	-2.0	-102.72	355.84	10.93	-91.79
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN3C=C(C4=CC=C(F)C=C4)N=C3S2)C1	REAL300011256014	0	40	-2.0	-100.72	362.24	11.00	-89.72
NS(=O)(=O)C1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1	REAL300011256015	0	38	-2.0	-107.23	339.94	2.36	-104.87
CC1=NC([N+](=O)[O-])=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)N1C	REAL300011256016	0	36	-2.0	-128.41	300.60	8.47	-119.94
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=C([N+](=O)[O-])C=C3S2)C1	REAL300011256017	0	35	-2.0	-108.36	319.43	8.40	-99.96
NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300011256018	0	39	-2.0	-111.43	354.23	3.60	-107.83
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=CC=C3S2)C1	REAL300011256019	0	33	-2.0	-118.00	290.58	7.53	-110.47
NS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300011256020	0	39	-2.0	-106.03	337.76	2.97	-103.06
COC1=CC=C([N+](=O)[O-])C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300011256021	0	37	-2.0	-117.10	317.49	8.05	-109.05
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=CC=CC=C3N=C2)C1	REAL300011256022	0	35	-2.0	-112.64	297.55	6.38	-106.26
CC1=NC2=CC=CC=C2N=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256023	0	38	-2.0	-115.00	321.24	7.41	-107.59
NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256024	0	38	-2.0	-112.13	335.14	3.46	-108.67
CC(=O)C1=CC=C(S(C)(=O)=O)C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1	REAL300011256025	0	42	-2.0	-126.30	348.56	5.99	-120.31
CC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC=C1[N+](=O)[O-]	REAL300011256026	0	35	-2.0	-103.89	303.56	7.50	-96.39
CC(C)(C)S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=N1	REAL300011256027	0	45	-2.0	-114.92	366.22	4.49	-110.43
CC1=CC2=CC=CC=C2N=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256028	0	39	-2.0	-120.06	325.95	9.41	-110.65
CC(C)(C)C1=NN=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)S1	REAL300011256029	0	38	-2.0	-108.67	325.83	6.74	-101.93
NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256030	0	38	-2.0	-113.50	334.38	3.49	-110.01
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300011256031	0	36	-2.0	-123.14	322.36	9.86	-113.28
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)N=N2)C1	REAL300011256032	0	32	-2.0	-111.38	287.42	6.18	-105.20
CC1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011256033	0	36	-2.0	-130.84	304.72	9.51	-121.33
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC=C2C(F)(F)F)C1	REAL300011256034	0	33	-2.0	-121.93	289.60	7.64	-114.29
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN=C(C3=CC=CC=C3)S2)C1	REAL300011256035	0	36	-2.0	-110.14	323.34	7.87	-102.27
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=CC=C3)=NS2)C1	REAL300011256036	0	36	-2.0	-103.86	322.66	8.36	-95.50
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C(F)(F)F)=CS2)C1	REAL300011256037	0	30	-2.0	-103.18	287.24	5.89	-97.29
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=C(C3=CC=CC=C3)S2)C1	REAL300011256038	0	37	-2.0	-110.06	325.51	8.85	-101.21
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN3C=C(C4=CC=CN=C4)N=C3S2)C1	REAL300011256039	0	39	-2.0	-102.37	350.84	9.14	-93.23
CC(C)(C)C1=NC=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011256040	0	41	-2.0	-106.89	331.90	7.67	-99.22
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN=C(CC3=CC=CC=C3)S2)C1	REAL300011256041	0	39	-2.0	-108.54	346.72	8.66	-99.88
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN=C(CC3=CC=C(F)C=C3)S2)C1	REAL300011256042	0	39	-2.0	-108.93	353.13	8.73	-100.20
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN=C(C(F)(F)F)S2)C1	REAL300011256043	0	29	-2.0	-100.07	284.75	5.30	-94.77
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)C=N2)C1	REAL300011256044	0	33	-2.0	-111.25	291.37	7.37	-103.88
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN=C(CC3=CC=C(Cl)C=C3)S2)C1	REAL300011256045	0	39	-2.0	-108.35	363.45	9.18	-99.17
CC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011256046	0	35	-2.0	-103.85	303.46	7.45	-96.40
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=C([N+](=O)[O-])S2)C1	REAL300011256047	0	29	-2.0	-99.27	277.85	6.00	-93.27
CCS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300011256048	0	40	-2.0	-118.63	335.57	5.31	-113.32
CCS(=O)(=O)C1=CC=CC=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256049	0	40	-2.0	-121.56	328.64	6.37	-115.19
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=C(C(F)(F)F)S2)C1	REAL300011256050	0	30	-2.0	-101.78	288.15	6.31	-95.47
CC1=CC=CC([N+](=O)[O-])=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256051	0	36	-2.0	-134.74	292.62	9.14	-125.60
CN1N=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CN=C21	REAL300011256052	0	35	-2.0	-111.06	292.26	6.90	-104.16
CCC(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(S(N)(=O)=O)=C1	REAL300011256053	0	44	-2.0	-121.61	368.59	4.10	-117.51
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3SC=CC3=NC=N2)C1	REAL300011256054	0	32	-2.0	-109.22	284.63	7.08	-102.14
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(C(F)(F)F)=CC=N2)C1	REAL300011256055	0	33	-2.0	-107.98	295.30	7.21	-100.77
CS(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300011256056	0	40	-2.0	-114.79	360.75	6.16	-108.63
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=CC(C(F)(F)F)=N2)C1	REAL300011256057	0	33	-2.0	-112.68	296.76	7.32	-105.36
CC(=O)C1=CC=C([N+](=O)[O-])C=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256058	0	38	-2.0	-129.56	325.19	9.36	-120.20
CC1=CC=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011256059	0	36	-2.0	-130.15	306.76	8.70	-121.45
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C(F)(F)F)=CS2)C1	REAL300011256060	0	30	-2.0	-103.18	287.24	5.89	-97.29
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256061	0	39	-2.0	-112.51	334.95	6.12	-106.39
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)N=N2)C1	REAL300011256062	0	32	-2.0	-111.38	287.42	6.18	-105.20
CC(=O)C1=C(C)SC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011256063	0	35	-2.0	-109.01	306.87	6.53	-102.48
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=C([N+](=O)[O-])C=C3)=CS2)C1	REAL300011256064	0	39	-2.0	-114.48	350.18	9.53	-104.95
COC1=CC=C(C2=NN=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)S2)C=C1	REAL300011256065	0	40	-2.0	-109.71	352.78	7.17	-102.54
O=C([O-])C1CC(C(=O)[O-])CN(C2=CN=CC(OCCO)=N2)C1	REAL300011256066	0	37	-2.0	-108.19	316.57	0.80	-107.39
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=NC3=CC=CC(F)=C32)C1	REAL300011256067	0	35	-2.0	-114.97	303.72	8.91	-106.06
N#CC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=CC=C1Cl	REAL300011256068	0	31	-2.0	-108.80	292.63	6.92	-101.88
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=NC=C2Br)C1	REAL300011256069	0	29	-2.0	-110.12	271.59	6.80	-103.32
COC1=NC=C(Cl)C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011256070	0	33	-2.0	-110.92	302.74	3.41	-107.51
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3C(C4=CC=CS4)=CSC3=NC=N2)C1	REAL300011256071	0	39	-2.0	-112.08	353.01	11.16	-100.92
CCC1=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=C(C)N=C2S1	REAL300011256072	0	41	-2.0	-108.93	349.35	8.66	-100.27
CC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC2=CC=CC=C12	REAL300011256073	0	38	-2.0	-121.02	316.16	9.04	-111.98
CC(C)(C)C1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC=N1	REAL300011256074	0	41	-2.0	-107.52	330.90	8.63	-98.89
CC(C)(C)N1N=CC2=C1N=C(N1CC(C(=O)[O-])CC(C(=O)[O-])C1)NC2=O	REAL300011256075	0	45	-2.0	-100.85	368.11	9.75	-91.10
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC3=NC=CN=C32)C1	REAL300011256076	0	34	-2.0	-116.67	289.86	5.24	-111.43
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC3=C2N=CNC3=O)C1	REAL300011256077	0	35	-2.0	-116.52	299.89	5.73	-110.79
CC1=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CC=C2C=C1	REAL300011256078	0	39	-2.0	-118.14	326.10	9.42	-108.72
CC1=CC=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CC=C12	REAL300011256079	0	39	-2.0	-117.12	322.68	9.31	-107.81
CCCCC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC=N1	REAL300011256080	0	41	-2.0	-106.98	336.75	8.99	-97.99
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(OC(F)F)C=N2)C1	REAL300011256081	0	34	-2.0	-118.90	291.87	5.90	-113.00
CC1=CC=CC2=CC=NC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=C12	REAL300011256082	0	39	-2.0	-117.21	319.69	10.74	-106.47
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC3=NC=CC=C3C=N2)C1	REAL300011256083	0	34	-2.0	-123.56	293.78	7.69	-115.87
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C([N+](=O)[O-])C(OC(F)F)=C2)C1	REAL300011256084	0	37	-2.0	-103.74	323.14	7.81	-95.93
COC1=CC=C(C2=NC=CC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=N2)C=C1	REAL300011256085	0	43	-2.0	-112.14	360.19	8.57	-103.57
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3C=CSC3=NC(C3=CC=CC=N3)=N2)C1	REAL300011256086	0	41	-2.0	-120.80	359.52	8.54	-112.26
CCOC1=CC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC(C)=N1	REAL300011256087	0	39	-2.0	-107.31	327.25	5.37	-101.94
CC1=C(Cl)C=CC2=CC=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=C12	REAL300011256088	0	39	-2.0	-115.20	336.42	9.63	-105.57
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC(N3CC4=CC=CC=C4C3)=N2)C1	REAL300011256089	1	45	-2.0	-116.01	370.79	10.03	-105.98
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(C3=CC=CC=C3)=NC3=CC=NN32)C1	REAL300011256090	0	43	-2.0	-117.29	360.06	11.42	-105.87
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC(C3=CC=CC([N+](=O)[O-])=C3)=CS2)C1	REAL300011256091	0	39	-2.0	-104.66	353.92	9.34	-95.32
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC(C3CC3)=NC(C3CC3)=N2)C1	REAL300011256092	0	43	-2.0	-110.21	353.61	9.70	-100.51
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=NC(CSC3=CC=CC=C3)=N2)C1	REAL300011256094	0	43	-2.0	-111.64	373.27	10.04	-101.60
CC1=CC(C(C)C)=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011256095	0	41	-2.0	-114.63	333.61	8.83	-105.80
CN1N=CC=C1C1=CC=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=N1	REAL300011256096	0	39	-2.0	-122.77	324.87	7.65	-115.12
CC1=CC([N+](=O)[O-])=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1S(N)(=O)=O	REAL300011256098	0	41	-2.0	-133.26	352.16	4.53	-128.73
CC(C)C1=CC2=C(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)N=CN=C2C=C1	REAL300011256099	0	44	-2.0	-112.23	359.79	10.30	-101.93
COC1=C(C)N=C(C2CC2)N=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256100	0	43	-2.0	-112.50	355.01	8.00	-104.50
NS(=O)(=O)C1=CC=C2NC(N3CC(C(=O)[O-])CC(C(=O)[O-])C3)=NC2=C1	REAL300011256101	0	39	-2.0	-119.56	339.91	2.88	-116.68
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(S(=O)(=O)N3CCCC3)C=C2)C1	REAL300011256102	0	46	-2.0	-115.61	374.96	5.98	-109.63
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CN=C2C2=CC=CC=C2)C1	REAL300011256103	0	39	-2.0	-114.96	331.44	8.78	-106.18
CN(C)S(=O)(=O)C1=CC=CC=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256104	0	42	-2.0	-118.38	324.01	5.91	-112.47
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3SC=CC3=NC=C2)C1	REAL300011256105	0	33	-2.0	-116.15	288.87	6.55	-109.60
CNS(=O)(=O)C1=CC=CC=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256106	0	39	-2.0	-113.53	337.89	3.90	-109.63
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(S(=O)(=O)N3CCOCC3)C=C2)C1	REAL300011256107	0	47	-2.0	-113.80	381.78	4.44	-109.36
O=C([O-])C1CC(C(=O)[O-])CN(C2=C3C=CSC3=CC=N2)C1	REAL300011256108	0	33	-2.0	-113.64	296.42	7.53	-106.11
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=C(C(F)(F)F)N=C2)C1	REAL300011256109	0	33	-2.0	-106.07	287.24	6.08	-99.99
O=C([O-])C1CC(C(=O)[O-])CN(C2=CC=CN=C2C(F)(F)F)C1	REAL300011256110	0	33	-2.0	-109.61	285.52	6.73	-102.88
O=C([O-])C1CC(C(=O)[O-])CN(C2=NN=NN2CC2=CC=CC=C2)C1	REAL300011256111	0	39	-2.0	-108.63	333.23	8.52	-100.11
CC1=CC(C(F)(F)F)=CN=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256112	0	36	-2.0	-109.04	317.38	8.19	-100.85
C=CCNS(=O)(=O)C1=CC=CC=C1N1CC(C(=O)[O-])CC(C(=O)[O-])C1	REAL300011256113	0	43	-2.0	-119.08	341.40	5.73	-113.35
CC(C)N(C)S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)C=C1	REAL300011256114	0	48	-2.0	-106.63	391.47	6.13	-100.50
O=C([O-])C1CC(C(=O)[O-])CN(C2=NC=CC3=CC=CC=C32)C1	REAL300011256115	0	36	-2.0	-117.22	304.77	8.77	-108.45
CCOC1=NC(N2CC(C(=O)[O-])CC(C(=O)[O-])C2)=NC=C1C	REAL300011256116	0	39	-2.0	-118.60	323.33	6.82	-111.78
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC34CC(C(=O)[O-])(C3)C4)N=C2)=N1	REAL300011256886	1	43	-2.0	-95.64	361.57	6.57	-89.07
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC34CC(C(=O)[O-])(C3)C(C)(C)O4)N=C2)=N1	REAL300011257382	1	50	-2.0	-92.12	402.47	5.59	-86.53
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(COCC(=O)[O-])C3)N=C2)=N1	REAL300011257853	1	49	-2.0	-93.60	397.30	6.60	-87.00
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C)CC(C(=O)[O-])C3)N=C2)=N1	REAL300011259330	1	45	-2.0	-95.37	363.77	5.88	-89.49
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC([C@@H]4C[C@H]4C(=O)[O-])CC3)N=C2)=N1	REAL300011259889	1	49	-2.0	-95.44	393.84	8.02	-87.42
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])(C4CCOCC4)C3)N=C2)=N1	REAL300011260319	1	53	-2.0	-95.12	399.54	5.77	-89.35
C=CCC1(C(=O)[O-])CN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)CCO1	REAL300011260848	1	47	-2.0	-99.84	382.29	6.29	-93.55
CC1=C(CNC2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C=C(C(=O)[O-])S1	REAL300011262140	1	42	-2.0	-97.72	372.30	6.70	-91.02
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC3CN3C=C(C(=O)[O-])N=N3)N=C2)=N1	REAL300011262761	1	48	-2.0	-123.76	396.25	6.32	-117.44
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C)(C)CC3CC(=O)[O-])N=C2)=N1	REAL300011263113	1	48	-2.0	-100.68	385.09	6.79	-93.89
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H]4C[C@@H]4[C@@H]3C(=O)[O-])N=C2)=N1	REAL300011264287	1	40	-2.0	-108.53	335.76	6.31	-102.22
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@@H](CC(=O)[O-])C3CC3)N=C2)=N1	REAL300011264444	1	42	-2.0	-99.33	347.50	6.34	-92.99
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H](CC(=O)[O-])CC(C)C)N=C2)=N1	REAL300011264619	1	47	-2.0	-104.86	373.45	6.59	-98.27
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@@H](CC(=O)[O-])CC(C)C)N=C2)=N1	REAL300011265424	1	47	-2.0	-103.25	373.80	6.65	-96.60
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(N4C=CC(C(=O)[O-])=N4)C3)N=C2)=N1	REAL300011265743	1	49	-2.0	-107.86	402.45	6.62	-101.24
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H]4CC[C@@H]4[C@@H]3C(=O)[O-])N=C2)=N1	REAL300011266918	1	43	-2.0	-106.29	348.62	6.80	-99.49
CC[C@H](CC(=O)[O-])NC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300011268017	1	41	-2.0	-100.19	336.38	5.29	-94.90
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3CC[C@@H](C(=O)[O-])CC3)N=C2)=N1	REAL300011268397	1	45	-2.0	-99.07	359.00	6.76	-92.31
COC1=CC=C([C@H](C)NC2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C=C1C(=O)[O-]	REAL300011269337	1	49	-2.0	-105.25	405.60	7.67	-97.58
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3C[C@@H](CCC(=O)[O-])C3)N=C2)=N1	REAL300011269768	1	45	-2.0	-95.19	371.73	6.80	-88.39
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H](CC(=O)[O-])[C@H](O)C3)N=C2)=N1	REAL300011270259	1	43	-2.0	-101.18	354.93	2.37	-98.81
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3CC[C@H](C(=O)[O-])CC3)N=C2)=N1	REAL300011270553	1	45	-2.0	-95.74	362.10	6.42	-89.32
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCOCCC(=O)[O-])N=C2)=N1	REAL300011271595	1	42	-2.0	-93.35	358.61	4.13	-89.22
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC3C(C)C(=O)[O-])N=C2)=N1	REAL300011271968	1	45	-2.0	-113.74	350.23	5.60	-108.14
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)CCCCC(=O)[O-])N=C2)=N1	REAL300011272277	1	44	-2.0	-97.61	365.25	7.69	-89.92
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CC(CC(=O)[O-])C3(C)C)N=C2)=N1	REAL300011272734	1	48	-2.0	-97.58	382.98	7.23	-90.35
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC34CC(C(=O)[O-])(C3)C3(CCC3)O4)N=C2)=N1	REAL300011273841	1	51	-2.0	-92.15	410.80	6.27	-85.88
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4(CCCC4)CC3C(=O)[O-])N=C2)=N1	REAL300011274508	1	49	-2.0	-104.23	387.40	7.37	-96.86
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@H]4CCCC[C@H]4[C@@H]3C(=O)[O-])N=C2)=N1	REAL300011274834	1	49	-2.0	-108.41	385.21	7.82	-100.59
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC[C@H]3CC[C@H](C(=O)[O-])CC3)N=C2)=N1	REAL300011276434	1	48	-2.0	-96.18	384.80	7.27	-88.91
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C4=CC=C(C(=O)[O-])C=C4)CC3)N=C2)=N1	REAL300011277590	1	49	-2.0	-102.96	412.80	8.87	-94.09
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3CCC[C@@H](C(=O)[O-])C3)N=C2)=N1	REAL300011278376	1	45	-2.0	-94.34	363.38	6.44	-87.90
C=CCCC1(C(=O)[O-])CCN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)CC1	REAL300011279953	1	52	-2.0	-93.09	403.41	7.98	-85.11
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(CC(=O)[O-])CC3)N=C2)=N1	REAL300011281466	1	42	-2.0	-97.49	353.15	5.99	-91.50
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CC4=CC=C(C(=O)[O-])C=C4C3)N=C2)=N1	REAL300011281751	1	46	-2.0	-97.72	384.98	8.11	-89.61
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C)(C)C3C(=O)[O-])N=C2)=N1	REAL300011282648	1	45	-2.0	-106.54	359.26	6.53	-100.01
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4(CC3CC(=O)[O-])CCOCC4)N=C2)=N1	REAL300011282889	1	53	-2.0	-100.27	412.73	6.08	-94.19
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=C(CC(=O)[O-])C=C3)N=C2)=N1	REAL300011283502	1	45	-2.0	-93.86	384.56	7.68	-86.18
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3=CC=CC=C3CCC(=O)[O-])N=C2)=N1	REAL300011284023	1	48	-2.0	-105.57	398.95	8.43	-97.14
COCCC1(C(=O)[O-])CCN(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)CC1	REAL300011284578	1	52	-2.0	-92.31	402.77	5.72	-86.59
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CCCC(C(=O)[O-])CC3)N=C2)=N1	REAL300011285573	1	48	-2.0	-94.65	374.58	6.76	-87.89
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C(=O)[O-])C4(CCCC4)C3)N=C2)=N1	REAL300011285926	1	49	-2.0	-97.15	379.85	7.04	-90.11
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4(CCC4)CC3C(=O)[O-])N=C2)=N1	REAL300011286233	1	46	-2.0	-106.02	371.62	6.64	-99.38
CS[C@@H]1C[C@@H](C(=O)[O-])N(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C1	REAL300011286926	1	43	-2.0	-103.35	367.07	5.65	-97.70
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@@H]3C[C@H](C(=O)[O-])C3(C)C)N=C2)=N1	REAL300011287704	1	45	-2.0	-93.67	360.15	6.38	-87.29
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CC(C)(C(=O)[O-])C3)N=C2)=N1	REAL300011287970	1	42	-2.0	-98.74	346.52	5.69	-93.05
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)N=C2)=N1	REAL300011288314	1	49	-2.0	-102.17	399.53	8.56	-93.61
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H](C(=O)[O-])C[C@@H](C(C)(C)C)C3)N=C2)=N1	REAL300011289774	1	54	-2.0	-95.84	410.91	7.83	-88.01
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4(CC3C(=O)[O-])CCCCC4)N=C2)=N1	REAL300011290356	1	52	-2.0	-106.78	400.12	7.48	-99.30
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C)(C)CC3C(=O)[O-])N=C2)=N1	REAL300011292700	1	45	-2.0	-106.00	364.20	5.81	-100.19
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(C)(C)C(=O)[O-])CC3)N=C2)=N1	REAL300011294244	1	51	-2.0	-96.84	389.35	7.26	-89.58
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C4CCCC4C(=O)[O-])CC3)N=C2)=N1	REAL300011294906	1	55	-2.0	-99.07	422.90	8.87	-90.20
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4CC(CC(=O)[O-])CCC4C3)N=C2)=N1	REAL300011295381	1	55	-2.0	-93.61	421.00	8.81	-84.80
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC=C(C4(C(=O)[O-])CCC4)CC3)N=C2)=N1	REAL300011296020	1	50	-2.0	-115.13	390.56	7.52	-107.61
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C4(C(=O)[O-])CCC4)CC3)N=C2)=N1	REAL300011296682	1	52	-2.0	-95.96	397.00	7.98	-87.98
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCOC(C)(C(=O)[O-])C3)N=C2)=N1	REAL300011297108	1	43	-2.0	-99.86	349.44	5.05	-94.81
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC=C(C(C)(C)C(=O)[O-])CC3)N=C2)=N1	REAL300011297568	1	49	-2.0	-111.65	382.33	6.90	-104.75
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4CC4(C(=O)[O-])C3)N=C2)=N1	REAL300011298017	1	40	-2.0	-96.99	335.90	5.62	-91.37
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4=C(C3)C(C(=O)[O-])=NN4C)N=C2)=N1	REAL300011299861	1	46	-2.0	-109.95	381.35	5.75	-104.20
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC4=C(C=C(C(=O)[O-])S4)C3)N=C2)=N1	REAL300011301177	1	46	-2.0	-101.04	387.44	8.08	-92.96
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC[C@H](CC(=O)[O-])C3)N=C2)=N1	REAL300011302685	1	42	-2.0	-90.93	342.76	5.07	-85.86
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CC4(C3)CCC(C(=O)[O-])CC4)N=C2)=N1	REAL300011303355	1	52	-2.0	-100.76	408.82	8.16	-92.60
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4=C(C3)C(C(=O)[O-])=CO4)N=C2)=N1	REAL300011303984	1	40	-2.0	-99.05	346.20	5.28	-93.77
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCOCC(C(=O)[O-])C3)N=C2)=N1	REAL300011304302	1	43	-2.0	-97.77	347.50	4.31	-93.46
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CCOC(CC(=O)[O-])C3)N=C2)=N1	REAL300011304751	1	46	-2.0	-96.31	374.92	5.51	-90.80
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CC4(CCC4)C3)N=C2)=N1	REAL300011305746	1	49	-2.0	-98.04	391.48	7.80	-90.24
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])N=C2)=N1	REAL300011306282	1	46	-2.0	-106.65	362.85	7.11	-99.54
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CC4CCC3CC4)N=C2)=N1	REAL300011307348	1	52	-2.0	-98.37	391.92	7.97	-90.40
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC34CCC(C(=O)[O-])(CC3)CO4)N=C2)=N1	REAL300011308540	1	50	-2.0	-94.88	394.97	5.87	-89.01
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(CC(=O)[O-])C3)N=C2)=N1	REAL300011308983	1	45	-2.0	-92.85	359.27	6.48	-86.37
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC[C@H](CC(=O)[O-])C3)N=C2)=N1	REAL300011309765	1	45	-2.0	-92.86	359.27	6.48	-86.38
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC[C@@H](CC(=O)[O-])C3)N=C2)=N1	REAL300011310475	1	45	-2.0	-92.86	359.28	6.48	-86.38
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CC4(C[C@H]4C(=O)[O-])C3)N=C2)=N1	REAL300011310793	1	43	-2.0	-95.34	361.18	6.71	-88.63
CC([N-]C1=NC(C2=CC=CC=C2)=NO1)C1=NC(C(=O)[O-])=CS1	REAL300011315326	1	32	-2.0	-102.45	306.72	3.03	-99.42
CC([N-]C1=NC(C2=CC=CC(Cl)=C2)=NO1)C1=NC(C(=O)[O-])=CS1	REAL300011315348	1	32	-2.0	-100.01	323.45	3.54	-96.47
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(C)C3=NC(C(=O)[O-])=CS3)N=C2)=N1	REAL300011315381	1	41	-2.0	-100.16	366.07	4.61	-95.55
COC1=CC=CC(C2=NOC([N-]C(C)C3=NC(C(=O)[O-])=CS3)=N2)=C1	REAL300011315436	1	36	-2.0	-103.73	336.19	2.32	-101.41
CC1=CC=C(C2=NOC([N-]C(C)C3=NC(C(=O)[O-])=CS3)=N2)C=C1	REAL300011315459	1	35	-2.0	-102.38	328.12	3.70	-98.68
COC1=CC=C(C2=NOC([N-]C(C)C3=NC(C(=O)[O-])=CS3)=N2)C=C1	REAL300011315460	1	36	-2.0	-100.81	336.16	2.34	-98.47
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC=C(C(=O)[O-])C3)N=C2)=N1	REAL300011315962	1	40	-2.0	-104.63	330.52	5.24	-99.39
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCCC3(C(=O)[O-])CCC3)N=C2)=N1	REAL300011316259	1	45	-2.0	-99.67	364.47	6.40	-93.27
CC1=CC(CNC2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)=CC=C1C(=O)[O-]	REAL300011316580	1	45	-2.0	-95.67	378.44	7.44	-88.23
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC=C(C(=O)[O-])CC3)N=C2)=N1	REAL300011317028	1	40	-2.0	-93.43	333.32	5.74	-87.69
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC3CC4CCC3(C(=O)[O-])C4)N=C2)=N1	REAL300011317709	1	46	-2.0	-102.04	368.31	7.04	-95.00
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@H]3C[C@H](C4=CC=CC(C(=O)[O-])=C4)C3)N=C2)=N1	REAL300011319277	1	49	-2.0	-101.44	405.50	8.80	-92.64
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(CC(=O)[O-])C3)N=C2)=N1	REAL300011319915	1	45	-2.0	-92.85	359.27	6.48	-86.37
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4(CC4C(=O)[O-])CC3)N=C2)=N1	REAL300011320220	1	46	-2.0	-99.68	366.58	7.11	-92.57
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4=NN(C)C(C(=O)[O-])=C4C3)N=C2)=N1	REAL300011320733	1	46	-2.0	-100.07	377.78	5.59	-94.48
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC(C(=O)[O-])OC(C)(C)C3)N=C2)=N1	REAL300011321179	1	46	-2.0	-96.31	370.90	5.80	-90.51
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])(C(F)F)CC3)N=C2)=N1	REAL300011321688	1	45	-2.0	-93.94	366.07	6.38	-87.56
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4(CC(C(=O)[O-])CO4)CC3)N=C2)=N1	REAL300011322159	1	50	-2.0	-91.15	396.11	6.09	-85.06
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CC4CC(C3)C(C(=O)[O-])C4)N=C2)=N1	REAL300011322648	1	46	-2.0	-109.09	356.68	7.71	-101.38
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]4C3)N=C2)=N1	REAL300011324529	1	46	-2.0	-99.45	367.05	6.66	-92.79
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C(=O)[O-])(C4CCC4)C3)N=C2)=N1	REAL300011324908	1	49	-2.0	-98.75	381.57	7.70	-91.05
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@H]4OC[C@@H](C(=O)[O-])[C@H]4C3)N=C2)=N1	REAL300011325433	1	44	-2.0	-105.39	353.41	4.33	-101.06
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC[C@]3(C(=O)[O-])C[C@@H]3C(F)(F)F)N=C2)=N1	REAL300011326185	1	42	-2.0	-92.01	362.87	6.46	-85.55
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CCCO3)N=C2)=N1	REAL300011326589	1	43	-2.0	-100.81	357.50	4.96	-95.85
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4=C(C3)C(C(=O)[O-])=NO4)N=C2)=N1	REAL300011326952	1	42	-2.0	-106.86	353.30	5.16	-101.70
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCCC(C4=C(C(=O)[O-])N=CO4)C3)N=C2)=N1	REAL300011327425	1	48	-2.0	-105.12	395.39	4.14	-100.98
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC34CCC(C(=O)[O-])(CO3)C4)N=C2)=N1	REAL300011327985	1	47	-2.0	-92.97	384.46	5.15	-87.82
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC34CC(C(=O)[O-])(CO3)CCC4)N=C2)=N1	REAL300011328430	1	50	-2.0	-94.52	393.81	5.77	-88.75
CC1=C(C)C(=O)[N-]C(C2=CC=C(N(C)CC3=CC=CC(OCC(=O)[O-])=C3)N=C2)=N1	REAL300011328941	1	49	-2.0	-95.62	411.69	9.38	-86.24
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3CC(CC(=O)[O-])CO3)N=C2)=N1	REAL300011329583	1	46	-2.0	-94.80	377.93	4.83	-89.97
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4=CC=CC(CC(=O)[O-])=C4C3)N=C2)=N1	REAL300011331006	1	49	-2.0	-98.24	393.39	8.02	-90.22
CC1=C(C)C(=O)[N-]C(C2=CC=C(N[C@@H]3CS[C@H](C(=O)[O-])C3)N=C2)=N1	REAL300011331526	1	40	-2.0	-92.46	347.03	5.69	-86.77
CC1=C(C)C(=O)[N-]C(C2=CC=C(NCC3(C(=O)[O-])CC=CC3)N=C2)=N1	REAL300011332339	1	43	-2.0	-96.97	355.95	6.61	-90.36
COC1=CC(C(=O)[O-])=CC=C1CNC1=CC=C(C2=NC(C)=C(C)C(=O)[N-]2)C=N1	REAL300011333015	1	46	-2.0	-95.98	390.79	6.22	-89.76
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(CCC(=O)[O-])C3)N=C2)=N1	REAL300011333929	1	45	-2.0	-93.61	365.12	5.88	-87.73
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C2=CC=C(C3=NC(C)=C(C)C(=O)[N-]3)C=N2)C1	REAL300011334449	1	46	-2.0	-102.14	378.85	4.80	-97.34
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4=C(C=C(F)C=C4C(=O)[O-])C3)N=C2)=N1	REAL300011335238	1	46	-2.0	-93.15	380.67	7.93	-85.22
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(COCC(=O)[O-])CC3)N=C2)=N1	REAL300011335722	1	49	-2.0	-94.38	397.29	6.61	-87.77
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3C[C@@H](C(=O)[O-])[C@H](C(C)C)C3)N=C2)=N1	REAL300011337514	1	48	-2.0	-95.13	375.00	5.98	-89.15
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC(C4=CC=CC=C4C(=O)[O-])C3)N=C2)=N1	REAL300011337897	1	49	-2.0	-103.24	399.89	7.85	-95.39
CCN1C=NN=C1C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011338269	1	30	-2.0	-100.60	313.63	3.76	-96.84
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CCCO1	REAL300011338320	1	35	-2.0	-95.73	314.83	3.19	-92.54
CN(CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)CC(F)(F)F	REAL300011338472	1	38	-2.0	-96.20	356.99	2.78	-93.42
CN1C=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300011339396	1	34	-2.0	-97.57	328.48	3.38	-94.19
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(C3=CC=C(F)C=C3)CC2)=C1	REAL300011339691	1	38	-2.0	-93.00	360.11	6.97	-86.03
CC1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011339818	1	37	-2.0	-95.00	319.22	5.46	-89.54
CC([N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1)C1=CC=CO1	REAL300011339988	1	28	-2.0	-95.50	293.56	2.76	-92.74
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCC2)=C1	REAL300011340032	1	31	-2.0	-95.24	286.86	3.94	-91.30
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCCCCC2)=C1	REAL300011340104	1	40	-2.0	-97.57	323.74	5.41	-92.16
CCC(CC)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011340360	1	33	-2.0	-92.51	303.48	4.29	-88.22
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CNC3=CC=CC=C23)=C1	REAL300011340426	1	38	-2.0	-102.17	357.57	5.65	-96.52
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCC3=CC=CC=C32)=C1	REAL300011340498	1	38	-2.0	-101.22	343.46	6.72	-94.50
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=CC=N2)=C1	REAL300011340588	1	33	-2.0	-101.02	319.86	3.82	-97.20
CCCCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011340688	1	39	-2.0	-93.87	345.62	5.85	-88.02
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=C(Cl)C=C2)=C1	REAL300011340776	1	34	-2.0	-92.60	342.40	6.12	-86.48
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCCCC2)=C1	REAL300011340862	1	37	-2.0	-96.04	313.10	4.94	-91.10
CC(C)C(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1	REAL300011341013	1	43	-2.0	-96.22	375.32	7.81	-88.41
NC(=O)C1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCOCC1	REAL300011341082	1	39	-2.0	-88.46	342.43	-0.04	-88.50
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCC2)=C1	REAL300011341372	1	31	-2.0	-94.84	292.48	3.89	-90.95
CCC1CCCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011341541	1	40	-2.0	-95.32	336.43	6.19	-89.13
COC(=O)CCCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011341627	1	42	-2.0	-98.18	385.71	5.74	-92.44
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2COC3=CC=CC=C3C2)=C1	REAL300011341897	1	36	-2.0	-96.29	331.06	4.85	-91.44
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)CN1C=CC=N1	REAL300011342168	1	37	-2.0	-96.93	342.66	4.44	-92.49
CC(C)OC(=O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011342517	1	33	-2.0	-95.57	320.79	3.57	-92.00
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)OC1=CC=CC=C1	REAL300011342608	1	38	-2.0	-99.32	351.87	5.03	-94.29
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC3=CC=CC=C3O2)=C1	REAL300011342687	1	34	-2.0	-98.96	332.05	5.32	-93.64
CC(C)([N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1)C1=NC=CS1	REAL300011342812	1	30	-2.0	-91.35	311.99	2.60	-88.75
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC(=O)NC2=CC=CC=C2)=C1	REAL300011342943	1	35	-2.0	-100.78	338.15	3.19	-97.59
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C(Cl)C=C2Cl)=C1	REAL300011343013	1	31	-2.0	-93.03	335.30	5.74	-87.29
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCC2=CC=CC=C2)=C1	REAL300011343076	1	37	-2.0	-95.31	347.16	6.39	-88.92
CC(C)CCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011343235	1	39	-2.0	-94.09	341.68	5.57	-88.52
CCOCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011343732	1	34	-2.0	-93.71	321.28	2.62	-91.09
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=C(F)C=C2)=C1	REAL300011343822	1	34	-2.0	-92.44	332.08	5.67	-86.77
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C(F)C=C2)=C1	REAL300011343911	1	31	-2.0	-91.32	310.58	4.87	-86.45
CCCCOCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011344062	1	40	-2.0	-93.43	364.28	4.20	-89.23
CC1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1C	REAL300011344156	1	40	-2.0	-96.95	331.90	5.51	-91.44
CC(C)C(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011345135	1	33	-2.0	-93.55	294.37	3.93	-89.62
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CS2)=C1	REAL300011345214	1	28	-2.0	-94.79	294.39	3.90	-90.89
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC=C2F)=C1	REAL300011345310	1	31	-2.0	-101.01	309.84	4.82	-96.19
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC(C(F)(F)F)=C2)=C1	REAL300011345389	1	34	-2.0	-93.19	342.90	5.79	-87.40
CN(C)C(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CO1	REAL300011346644	1	39	-2.0	-97.80	352.85	2.43	-95.37
CCOC(=O)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011347055	1	33	-2.0	-95.20	321.58	3.50	-91.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCCNC2=O)=C1	REAL300011347153	1	35	-2.0	-95.17	304.45	1.90	-93.27
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCN2C=CC=N2)=C1	REAL300011347710	1	34	-2.0	-97.99	328.16	3.59	-94.40
COC1=CC=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300011347987	1	38	-2.0	-98.68	355.17	4.90	-93.78
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=NC(N3C=CC=N3)=C2)=C1	REAL300011348549	1	37	-2.0	-100.66	359.78	5.32	-95.34
COC1=NC=CC=C1C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011348703	1	31	-2.0	-99.00	322.62	0.53	-98.47
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCC(C3=CC=CC=C3)CC2)=C1	REAL300011348921	1	44	-2.0	-98.05	375.63	8.30	-89.75
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CSC=C2)=C1	REAL300011348989	1	28	-2.0	-94.26	294.14	3.75	-90.51
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCOC2)=C1	REAL300011349236	1	32	-2.0	-93.94	300.27	1.94	-92.00
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)N1CCOCC1	REAL300011349920	1	40	-2.0	-95.67	346.01	0.84	-94.83
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCN2CCC3=CC=CC=C3C2)=C1	REAL300011350088	1	43	-2.0	-96.98	372.44	4.22	-92.76
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)N(C)C1=CC=CC=C1	REAL300011350297	1	42	-2.0	-96.58	372.02	6.16	-90.42
CC(=O)N1CCN(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011350434	1	43	-2.0	-99.62	375.93	1.57	-98.05
CC(CN1C=CC=N1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011350503	1	34	-2.0	-98.48	322.65	3.69	-94.79
CCS(=O)(=O)NCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011350585	1	38	-2.0	-98.42	365.77	-0.37	-98.79
CCC(CC)([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(N)=O	REAL300011351087	1	37	-2.0	-89.93	319.47	1.34	-88.59
COCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011351338	1	34	-2.0	-92.20	314.79	2.57	-89.63
CN(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)OC(C)(C)C	REAL300011351621	1	44	-2.0	-101.42	390.41	4.18	-97.24
CC(C#N)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011352159	1	28	-2.0	-88.25	285.04	2.96	-85.29
COC(=O)C(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011352234	1	33	-2.0	-95.81	319.43	3.28	-92.53
COC(=O)CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)OC	REAL300011352322	1	36	-2.0	-103.25	354.11	3.57	-99.68
CC1=CSC(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011352393	1	36	-2.0	-96.13	353.75	4.09	-92.04
CN1C=C(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300011352557	1	37	-2.0	-97.33	349.98	4.17	-93.16
COC1=CC=CC=C1CC(C)(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011353175	1	44	-2.0	-99.67	373.52	6.39	-93.28
CC1=C2C(CC[N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CNC2=CC=C1	REAL300011353223	1	41	-2.0	-101.86	370.00	6.02	-95.84
CC(CC1=CC=CS1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011353309	1	34	-2.0	-93.66	331.50	5.61	-88.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCSC2=NC=CS2)=C1	REAL300011354142	1	34	-2.0	-96.08	353.70	4.13	-91.95
NC(=O)C1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCCC1	REAL300011354292	1	35	-2.0	-92.75	312.38	1.23	-91.52
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NOC=C2)=C1	REAL300011354388	1	27	-2.0	-99.44	279.14	2.12	-97.32
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=C1	REAL300011354454	1	36	-2.0	-97.94	339.88	4.22	-93.72
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300011354455	1	36	-2.0	-97.59	347.44	4.74	-92.85
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300011354457	1	36	-2.0	-94.43	358.07	5.18	-89.25
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300011354462	1	36	-2.0	-91.02	335.34	4.20	-86.82
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300011354472	1	36	-2.0	-93.11	341.60	4.26	-88.85
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300011354474	1	38	-2.0	-90.39	358.05	4.80	-85.59
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300011354484	1	36	-2.0	-96.34	355.44	5.11	-91.23
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300011354494	1	36	-2.0	-101.29	335.32	4.19	-97.10
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=C1	REAL300011354514	0	33	-2.0	-93.53	334.04	3.23	-90.30
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300011354519	1	38	-2.0	-90.72	348.29	5.77	-84.95
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300011354526	1	38	-2.0	-108.75	353.58	6.02	-102.73
CC(C)C1=NOC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300011354529	1	36	-2.0	-106.33	333.47	4.16	-102.17
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CSCCS2)=C1	REAL300011354554	1	33	-2.0	-94.81	328.48	4.75	-90.06
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC(Cl)=CC=N2)=C1	REAL300011354806	1	30	-2.0	-96.49	315.93	3.48	-93.01
CC1=CC=CN2C=C(CC[N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)N=C12	REAL300011354879	1	40	-2.0	-109.15	373.80	6.67	-102.48
CC1=NC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C(C)O1	REAL300011354987	1	36	-2.0	-99.54	343.71	1.69	-97.85
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)O1	REAL300011355056	1	30	-2.0	-101.51	299.85	0.32	-101.19
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)O1	REAL300011355057	1	30	-2.0	-100.56	307.42	0.85	-99.71
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)O1	REAL300011355059	1	30	-2.0	-97.72	318.04	1.28	-96.44
CC1=CN=C(C[N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)O1	REAL300011355060	1	27	-2.0	-95.72	302.40	-0.04	-95.76
CC1=CN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)O1	REAL300011355065	1	30	-2.0	-96.17	295.29	0.31	-95.86
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)O1	REAL300011355076	1	33	-2.0	-106.57	315.57	0.93	-105.64
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Br)O1	REAL300011355077	1	33	-2.0	-105.12	324.42	1.56	-103.56
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)O1	REAL300011355079	0	30	-2.0	-97.16	301.58	0.36	-96.80
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)O1	REAL300011355081	1	32	-2.0	-94.38	318.01	0.90	-93.48
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)O1	REAL300011355082	1	30	-2.0	-100.09	310.77	1.02	-99.07
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)O1	REAL300011355088	1	33	-2.0	-106.23	311.30	0.83	-105.40
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)O1	REAL300011355089	1	33	-2.0	-105.44	321.61	1.39	-104.05
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)O1	REAL300011355094	1	30	-2.0	-103.66	302.90	0.83	-102.83
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)O1	REAL300011355095	1	30	-2.0	-99.45	315.39	1.21	-98.24
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)O1	REAL300011355102	1	30	-2.0	-103.08	306.24	0.99	-102.09
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)O1	REAL300011355105	1	30	-2.0	-105.10	295.30	0.30	-104.80
CC1=CN=C(C[N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)O1	REAL300011355120	1	27	-2.0	-99.48	300.01	0.02	-99.46
CC1=CN=C(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)O1	REAL300011355125	1	30	-2.0	-102.08	292.83	-0.62	-102.70
CC1=CN=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)O1	REAL300011355126	0	27	-2.0	-96.76	294.02	-0.67	-97.43
CC1=CN=C(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])O1	REAL300011355127	1	33	-2.0	-128.44	305.78	0.69	-127.75
CC1=CN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300011355132	1	32	-2.0	-94.85	310.85	1.90	-92.95
CC1=CN=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])O1	REAL300011355139	1	32	-2.0	-117.04	313.54	2.13	-114.91
CC1=CN=C(C[N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)O1	REAL300011355140	1	39	-2.0	-104.86	339.33	2.82	-102.04
CC1=CN=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)O1	REAL300011355142	1	30	-2.0	-113.89	293.44	0.26	-113.63
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2COC3(CCCC3)O2)=C1	REAL300011355166	1	40	-2.0	-96.94	358.11	3.48	-93.46
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1C)C1=CC=C(C)O1	REAL300011355396	1	41	-2.0	-100.68	364.47	4.44	-96.24
COCC([N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C1=CC=C(C)O1	REAL300011355398	1	42	-2.0	-95.06	381.03	3.96	-91.10
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F)C1=CC=C(C)O1	REAL300011355400	1	38	-2.0	-103.25	353.76	3.70	-99.55
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C1=CC=C(C)O1	REAL300011355401	1	38	-2.0	-101.70	361.35	4.23	-97.47
COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=CC=C(C)O1	REAL300011355406	1	38	-2.0	-97.54	349.22	3.68	-93.86
COCC([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300011355407	1	38	-2.0	-101.10	350.16	3.68	-97.42
COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=CC=C(C)O1	REAL300011355408	1	38	-2.0	-94.98	356.81	4.20	-90.78
COCC([N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300011355412	1	38	-2.0	-101.47	364.46	4.14	-97.33
COCC([N-]S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300011355413	1	38	-2.0	-98.95	362.11	4.06	-94.89
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C1=CC=C(C)O1	REAL300011355414	1	41	-2.0	-108.65	369.53	4.32	-104.33
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=C(C)O1	REAL300011355416	0	38	-2.0	-99.03	355.50	3.74	-95.29
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=CC=C(C)O1	REAL300011355418	1	40	-2.0	-95.78	371.95	4.28	-91.50
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F)C1=CC=C(C)O1	REAL300011355420	1	41	-2.0	-109.34	369.07	4.31	-105.03
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl)C1=CC=C(C)O1	REAL300011355421	1	41	-2.0	-106.82	375.51	4.78	-102.04
COCC([N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F)C1=CC=C(C)O1	REAL300011355422	1	41	-2.0	-116.05	368.80	4.31	-111.74
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C1=CC=C(C)O1	REAL300011355425	1	38	-2.0	-104.87	356.84	4.21	-100.66
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C1=CC=C(C)O1	REAL300011355435	1	38	-2.0	-106.94	349.24	3.68	-103.26
COCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=C(C)O1	REAL300011355437	1	35	-2.0	-104.65	336.94	2.64	-102.01
COCC([N-]S(=O)(=O)C1=CC(C)=C(C(=O)[O-])S1)C1=CC=C(C)O1	REAL300011355450	1	38	-2.0	-101.23	352.88	3.30	-97.93
COCC([N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300011355451	1	35	-2.0	-105.77	335.41	2.65	-103.12
COCC([N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300011355454	1	38	-2.0	-103.53	346.79	2.75	-100.78
COCC([N-]S(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-])C1=CC=C(C)O1	REAL300011355455	1	41	-2.0	-128.46	359.69	4.07	-124.39
COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C1=CC=C(C)O1	REAL300011355458	0	40	-2.0	-94.80	362.22	5.59	-89.21
COCC([N-]S(=O)(=O)C1=C(C)SC(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300011355459	1	38	-2.0	-106.41	352.39	3.51	-102.90
COCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=C(C)O1	REAL300011355460	1	35	-2.0	-99.92	336.02	2.74	-97.18
COCC([N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(C)O1	REAL300011355462	1	40	-2.0	-107.90	370.31	4.70	-103.20
COCC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C1=CC=C(C)O1	REAL300011355465	0	40	-2.0	-116.66	367.49	5.46	-111.20
COCC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C1=CC=C(C)O1	REAL300011355467	1	38	-2.0	-115.05	347.42	3.65	-111.40
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)O1	REAL300011355471	1	44	-2.0	-101.11	385.95	5.23	-95.88
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)O1	REAL300011355473	1	41	-2.0	-103.62	375.25	4.48	-99.14
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)O1	REAL300011355478	1	41	-2.0	-98.01	370.71	4.47	-93.54
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)O1	REAL300011355479	1	41	-2.0	-101.64	371.65	4.46	-97.18
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)O1	REAL300011355480	1	41	-2.0	-95.51	378.29	4.98	-90.53
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)O1	REAL300011355483	1	44	-2.0	-109.09	391.02	5.10	-103.99
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)O1	REAL300011355484	0	41	-2.0	-99.53	376.99	4.52	-95.01
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)O1	REAL300011355486	1	43	-2.0	-96.10	393.40	5.07	-91.03
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)O1	REAL300011355488	1	44	-2.0	-109.82	390.56	5.09	-104.73
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)O1	REAL300011355489	1	44	-2.0	-115.55	390.27	5.09	-110.46
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)O1	REAL300011355490	1	41	-2.0	-105.26	378.32	4.99	-100.27
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)O1	REAL300011355498	1	41	-2.0	-107.43	370.72	4.46	-102.97
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)O1	REAL300011355500	1	38	-2.0	-105.24	358.43	3.42	-101.82
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)O1	REAL300011355511	1	41	-2.0	-101.08	374.34	4.08	-97.00
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)O1	REAL300011355512	1	38	-2.0	-106.75	356.87	3.43	-103.32
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)O1	REAL300011355515	1	41	-2.0	-104.97	368.25	3.53	-101.44
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])O1	REAL300011355516	1	44	-2.0	-128.58	381.18	4.85	-123.73
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300011355519	0	43	-2.0	-95.28	383.71	6.37	-88.91
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)O1	REAL300011355520	1	41	-2.0	-106.76	373.87	4.29	-102.47
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)O1	REAL300011355521	1	38	-2.0	-99.85	357.48	3.53	-96.32
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)O1	REAL300011355523	1	43	-2.0	-109.46	391.82	5.49	-103.97
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])O1	REAL300011355525	0	43	-2.0	-117.39	388.96	6.25	-111.14
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)O1	REAL300011355526	1	41	-2.0	-115.79	368.86	4.42	-111.37
CCC1=CC=C(C(COC)[N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)O1	REAL300011355528	1	44	-2.0	-104.66	387.34	4.50	-100.16
CCOC(=O)C(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011355556	1	36	-2.0	-95.88	341.29	4.20	-91.68
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2C=CCCC2)=C1	REAL300011355738	1	32	-2.0	-97.16	293.59	4.44	-92.72
CC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCO1	REAL300011355824	1	35	-2.0	-92.21	311.67	3.18	-89.03
CN(C)C(=O)NCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011355919	1	36	-2.0	-97.91	337.22	1.05	-96.86
CSC(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011356016	1	34	-2.0	-96.27	322.04	4.28	-91.99
CSCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011356164	1	34	-2.0	-91.90	325.86	4.74	-87.16
CCC1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011356824	1	40	-2.0	-96.59	341.18	5.82	-90.77
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCC2CC2=CC=CC=C2)=C1	REAL300011356903	1	44	-2.0	-98.50	384.59	8.30	-90.20
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=NO1	REAL300011356942	1	42	-2.0	-96.61	383.14	2.42	-94.19
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=NO1	REAL300011356944	0	38	-2.0	-104.71	355.83	2.16	-102.55
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=NO1	REAL300011356945	1	38	-2.0	-103.90	363.45	2.69	-101.21
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NO1	REAL300011356950	1	38	-2.0	-98.52	351.31	2.14	-96.38
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NO1	REAL300011356951	1	38	-2.0	-102.19	352.26	2.14	-100.05
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NO1	REAL300011356952	1	38	-2.0	-96.87	358.90	2.66	-94.21
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NO1	REAL300011356953	1	38	-2.0	-98.40	350.39	2.11	-96.29
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=NO1	REAL300011356954	1	38	-2.0	-96.49	358.35	2.47	-94.02
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=NO1	REAL300011356956	1	38	-2.0	-102.44	366.56	2.60	-99.84
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)=NO1	REAL300011356957	1	38	-2.0	-99.91	364.21	2.51	-97.40
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NO1	REAL300011356960	0	38	-2.0	-99.89	357.60	2.20	-97.69
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=NO1	REAL300011356962	1	40	-2.0	-96.26	374.04	2.74	-93.52
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NO1	REAL300011356969	1	38	-2.0	-107.19	358.92	2.67	-104.52
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NO1	REAL300011356979	1	38	-2.0	-108.55	351.33	2.13	-106.42
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NO1	REAL300011356981	1	35	-2.0	-106.04	339.04	1.11	-104.93
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NO1	REAL300011356995	1	35	-2.0	-107.58	337.50	1.11	-106.47
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=NO1	REAL300011357002	0	40	-2.0	-97.23	366.88	3.74	-93.49
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NO1	REAL300011357004	1	35	-2.0	-100.40	338.12	1.21	-99.19
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=NO1	REAL300011357006	1	40	-2.0	-104.98	370.06	3.18	-101.80
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=NO1	REAL300011357009	0	40	-2.0	-118.40	369.57	3.97	-114.43
CC(C)(C)C1=NC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NO1	REAL300011357011	1	38	-2.0	-115.69	349.47	2.10	-113.59
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC(F)=C1	REAL300011357080	1	40	-2.0	-93.79	363.00	6.67	-87.12
CSCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011357160	1	34	-2.0	-93.90	331.99	4.60	-89.30
CSCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011357260	1	31	-2.0	-95.87	304.59	3.96	-91.91
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C(CC2=CC=CC=C2)C2CC2)=C1	REAL300011357343	1	41	-2.0	-95.10	374.33	8.01	-87.09
CC(C)OC(=O)C(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011357516	1	39	-2.0	-96.76	361.54	4.91	-91.85
CCC1=CN=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)S1	REAL300011357597	1	36	-2.0	-97.12	353.85	4.29	-92.83
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NN=NN2C2CC2)=C1	REAL300011357676	1	33	-2.0	-90.88	325.18	2.48	-88.40
COCCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCCC1	REAL300011358064	1	44	-2.0	-98.03	376.25	4.72	-93.31
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCOC3(CCOC3)C2)=C1	REAL300011358224	1	40	-2.0	-94.14	343.33	2.01	-92.13
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(C)C	REAL300011358475	1	37	-2.0	-95.44	333.65	3.23	-92.21
CN1N=CN=C1C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011358623	1	27	-2.0	-93.93	291.88	2.04	-91.89
CC1=CN=C(C(C)[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)S1	REAL300011358804	1	30	-2.0	-97.29	319.48	2.56	-94.73
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(C)(C)C	REAL300011358964	1	40	-2.0	-96.02	348.87	3.68	-92.34
COC1(C)CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1(C)C	REAL300011359573	1	41	-2.0	-95.91	354.92	3.89	-92.02
CCSC1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011359689	1	41	-2.0	-96.32	365.09	6.48	-89.84
CC(C)N1C(=O)CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1=O	REAL300011359762	1	37	-2.0	-94.92	339.32	4.02	-90.90
COC(=O)CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CC1	REAL300011360083	1	37	-2.0	-97.00	328.31	5.59	-91.41
NC(=O)COCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011360260	1	32	-2.0	-107.50	316.44	-0.94	-108.44
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC=C2N2C=CN=C2)=C1	REAL300011360534	1	38	-2.0	-103.33	351.47	7.33	-96.00
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC3=C2OCO3)=C1	REAL300011360733	1	34	-2.0	-101.33	330.18	3.45	-97.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCCCCC2)=C1	REAL300011360815	1	43	-2.0	-97.10	349.55	5.94	-91.16
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC(=O)NC2CCCCC2)=C1	REAL300011360889	1	44	-2.0	-101.09	387.61	3.64	-97.45
CC1=CC=CC(C(=O)NCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300011360946	1	41	-2.0	-98.46	382.15	3.95	-94.51
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCCO2)=C1	REAL300011361013	1	35	-2.0	-97.81	319.40	2.91	-94.90
CC(CC1=CSC=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011361264	1	34	-2.0	-93.02	331.14	5.45	-87.57
CC1CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCO1	REAL300011361829	1	38	-2.0	-94.59	339.61	3.52	-91.07
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=CC=C2)=C1	REAL300011361927	1	34	-2.0	-96.32	325.66	5.60	-90.72
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CC=CCC2)=C1	REAL300011362228	1	35	-2.0	-95.56	319.53	5.04	-90.52
CC1=CC=CC=C1OCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011362315	1	38	-2.0	-98.21	354.14	5.19	-93.02
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=C(F)C=C2F)=C1	REAL300011362458	1	34	-2.0	-95.39	337.53	5.70	-89.69
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1	REAL300011362628	1	38	-2.0	-99.47	357.23	4.74	-94.73
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCC3=CC(F)=CC=C32)=C1	REAL300011362823	1	35	-2.0	-94.18	327.91	6.19	-87.99
CN1C=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)C=N1	REAL300011363041	1	28	-2.0	-96.93	299.42	1.58	-95.35
COCCOCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011363420	1	35	-2.0	-98.50	333.34	1.12	-97.38
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)NC(C)(C)C	REAL300011363512	1	40	-2.0	-101.11	353.10	2.47	-98.64
CC1=NOC(C)=C1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011363751	1	33	-2.0	-91.89	321.45	3.58	-88.31
CC1=NOC(C)=C1C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011363798	1	30	-2.0	-92.57	313.88	2.55	-90.02
CC1=NOC(C)=C1C[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011363804	1	35	-2.0	-88.88	328.13	5.09	-83.79
CC1=NOC(C)=C1C[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300011363811	1	35	-2.0	-107.65	333.42	5.35	-102.30
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCN(CC(F)(F)F)C2)=C1	REAL300011364101	1	36	-2.0	-91.58	338.85	2.26	-89.32
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CCCCC2)=C1	REAL300011364273	1	38	-2.0	-96.09	341.49	5.82	-90.27
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CO2)=C1	REAL300011364461	1	28	-2.0	-95.62	284.91	2.93	-92.69
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C3OCOC3=C2)=C1	REAL300011364537	1	34	-2.0	-94.82	330.23	3.46	-91.36
CCCCC(CC)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011364623	1	42	-2.0	-93.48	361.19	6.68	-86.80
CCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011365006	1	33	-2.0	-93.75	308.75	4.14	-89.61
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C(Cl)C=C2)=C1	REAL300011365178	1	31	-2.0	-91.72	320.90	5.32	-86.40
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC=C2)=C1	REAL300011365494	1	31	-2.0	-96.58	304.16	4.80	-91.78
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCCC2)=C1	REAL300011365638	1	34	-2.0	-96.19	302.11	4.57	-91.62
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCO2)=C1	REAL300011365728	1	32	-2.0	-99.22	301.09	2.09	-97.13
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCN2CCCC2=O)=C1	REAL300011366125	1	38	-2.0	-102.25	351.81	3.67	-98.58
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC=N2)=C1	REAL300011366411	1	30	-2.0	-100.66	299.12	2.98	-97.68
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CN=C2)=C1	REAL300011366506	1	30	-2.0	-94.10	299.00	3.02	-91.08
COCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011367108	1	31	-2.0	-93.48	299.43	1.65	-91.83
CC(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011367185	1	33	-2.0	-94.28	304.82	3.85	-90.43
CCCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011367262	1	36	-2.0	-93.72	330.25	4.92	-88.80
COC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300011367679	1	38	-2.0	-95.98	355.17	4.90	-91.08
CC(CCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011367758	1	40	-2.0	-95.55	362.52	7.31	-88.24
CC(C)CCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011367869	1	42	-2.0	-94.73	363.18	6.36	-88.37
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC=C2Cl)=C1	REAL300011367960	1	31	-2.0	-98.07	318.56	5.23	-92.84
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC(Cl)=C2)=C1	REAL300011368045	1	31	-2.0	-93.66	320.89	5.31	-88.35
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCN2CCOCC2)=C1	REAL300011368370	1	37	-2.0	-94.31	332.59	0.30	-94.01
CC(CN1CCOCC1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011368460	1	40	-2.0	-95.04	348.66	1.36	-93.68
COC1=CC=C(CCC(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300011368868	1	44	-2.0	-95.40	392.03	6.62	-88.78
CC(CC1=CC=CC=C1F)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011369215	1	37	-2.0	-99.56	343.23	6.82	-92.74
CC1CCCCC1OCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011369407	1	44	-2.0	-99.07	379.34	5.36	-93.71
CCN(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1C	REAL300011369519	1	45	-2.0	-96.59	394.88	6.25	-90.34
CNC(=O)CN1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011369568	1	43	-2.0	-106.91	374.20	0.59	-106.32
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=COC=C2)=C1	REAL300011369635	1	28	-2.0	-95.60	284.91	2.77	-92.83
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCC2CCCC2)=C1	REAL300011369718	1	40	-2.0	-94.47	351.45	5.97	-88.50
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCC2CCCCC2)=C1	REAL300011369809	1	43	-2.0	-94.56	367.94	6.55	-88.01
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300011370428	1	38	-2.0	-97.21	362.53	6.01	-91.20
CC1=CC=C(OC(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300011370481	1	41	-2.0	-98.43	373.40	5.69	-92.74
CCOC(=O)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011370558	1	36	-2.0	-96.23	343.08	4.32	-91.91
CC1(C)C2CCC1(C)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C2	REAL300011370644	1	44	-2.0	-98.18	358.02	6.56	-91.62
CC1=CC=C(OCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300011370721	1	38	-2.0	-97.93	355.47	5.12	-92.81
COC(=O)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011370810	1	30	-2.0	-95.16	299.72	2.58	-92.58
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C(C2=CC=CC=C2)C2CC2)=C1	REAL300011371305	1	38	-2.0	-97.03	355.68	7.18	-89.85
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCC3=CC=CC=C32)=C1	REAL300011371382	1	41	-2.0	-99.90	361.59	7.13	-92.77
CC([N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1)C1=NN=CN1C	REAL300011371952	1	30	-2.0	-103.20	307.07	3.53	-99.67
CC(C)(C)C1=CSC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=N1	REAL300011372156	1	39	-2.0	-101.44	367.98	4.48	-96.96
CC(C)(C)C1=CSC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011372167	1	39	-2.0	-97.36	369.75	4.52	-92.84
CC(C)(C)C1=CSC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011372202	1	41	-2.0	-93.44	376.43	6.03	-87.41
CC(C)(C)C1=CSC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011372208	1	41	-2.0	-118.36	381.72	6.29	-112.07
CC1CCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011372277	1	34	-2.0	-96.04	304.78	4.60	-91.44
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=NC(C)=CS1	REAL300011372358	1	36	-2.0	-96.26	351.85	4.12	-92.14
CCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C1=NC(C)=CS1	REAL300011372399	1	38	-2.0	-92.04	359.06	5.61	-86.43
CCC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C1=NC(C)=CS1	REAL300011372406	1	38	-2.0	-110.49	363.12	5.81	-104.68
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300011372555	0	37	-2.0	-91.77	310.62	5.82	-85.95
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC2=C1OCCO2	REAL300011372556	0	40	-2.0	-103.15	343.57	5.31	-97.84
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300011372557	0	38	-2.0	-98.22	339.85	5.90	-92.32
O=C([O-])CCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300011372558	0	44	-2.0	-97.74	382.29	6.80	-90.94
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300011372559	0	38	-2.0	-96.95	349.66	6.38	-90.57
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1OCC(=O)[O-]	REAL300011372560	0	41	-2.0	-99.43	353.70	6.54	-92.89
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1OCCCC(=O)[O-]	REAL300011372561	0	47	-2.0	-98.93	396.15	7.47	-91.46
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C(F)C=C1F	REAL300011372562	0	34	-2.0	-102.89	308.29	5.49	-97.40
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C(Cl)C=C1F	REAL300011372563	0	34	-2.0	-94.59	313.61	5.88	-88.71
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC(Cl)=C1Cl	REAL300011372564	0	34	-2.0	-104.18	329.08	6.39	-97.79
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372565	0	34	-2.0	-90.96	320.52	6.13	-84.83
O=C([O-])C1=CC(Br)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300011372566	0	31	-2.0	-94.18	309.45	5.39	-88.79
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1C(=O)[O-]	REAL300011372567	0	40	-2.0	-101.58	325.94	6.48	-95.10
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300011372568	0	37	-2.0	-115.73	300.98	5.72	-110.01
CCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300011372569	0	40	-2.0	-97.54	336.87	6.74	-90.80
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300011372570	0	37	-2.0	-102.13	304.99	5.83	-96.30
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300011372571	0	34	-2.0	-100.70	302.55	5.44	-95.26
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372572	0	34	-2.0	-109.90	323.12	6.14	-103.76
O=C([O-])C1=CC(F)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372573	0	34	-2.0	-108.89	308.24	5.59	-103.30
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(Cl)=C1	REAL300011372574	0	34	-2.0	-93.76	308.40	5.80	-87.96
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(Br)=C1	REAL300011372575	0	34	-2.0	-93.91	310.74	5.88	-88.03
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300011372576	0	34	-2.0	-97.61	305.92	5.58	-92.03
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300011372577	0	34	-2.0	-95.03	313.89	5.94	-89.09
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300011372578	0	37	-2.0	-92.11	319.41	6.22	-85.89
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC(Cl)=C1F	REAL300011372579	0	34	-2.0	-106.43	322.11	6.07	-100.36
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC(F)=C1Cl	REAL300011372580	0	34	-2.0	-103.33	319.76	5.98	-97.35
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1F	REAL300011372581	0	37	-2.0	-96.01	322.83	6.06	-89.95
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300011372582	0	42	-2.0	-97.13	366.29	6.97	-90.16
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372583	0	34	-2.0	-92.45	308.94	5.48	-86.97
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC(C(=O)[O-])=C1C	REAL300011372584	0	40	-2.0	-100.18	338.21	6.71	-93.47
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372585	0	36	-2.0	-103.71	330.02	6.20	-97.51
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C(Cl)C=C1C(=O)[O-]	REAL300011372586	0	38	-2.0	-100.76	336.15	5.89	-94.87
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Br	REAL300011372587	0	34	-2.0	-94.40	317.63	6.04	-88.36
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC(C(=O)[O-])=C1F	REAL300011372588	0	37	-2.0	-98.59	326.68	6.18	-92.41
CC1=CC(F)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300011372589	0	37	-2.0	-104.17	319.77	6.00	-98.17
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1Cl	REAL300011372590	0	37	-2.0	-107.77	324.03	6.26	-101.51
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372591	0	37	-2.0	-125.92	322.27	6.06	-119.86
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300011372592	0	37	-2.0	-100.49	332.67	6.38	-94.11
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC(C(=O)[O-])=C1Cl	REAL300011372593	0	37	-2.0	-96.15	333.08	6.49	-89.66
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300011372594	0	37	-2.0	-107.80	316.76	6.18	-101.62
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372595	0	34	-2.0	-104.27	306.87	5.74	-98.53
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300011372596	0	34	-2.0	-101.06	319.33	6.10	-94.96
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372597	0	34	-2.0	-97.72	302.57	5.55	-92.17
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300011372598	0	38	-2.0	-115.19	324.83	5.42	-109.77
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300011372599	0	34	-2.0	-115.16	318.81	6.04	-109.12
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300011372600	0	37	-2.0	-119.28	318.59	6.09	-113.19
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300011372601	0	41	-2.0	-94.15	359.02	4.15	-90.00
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300011372602	0	34	-2.0	-119.18	307.10	5.59	-113.59
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300011372603	0	42	-2.0	-110.05	356.30	6.73	-103.32
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372604	0	34	-2.0	-104.14	308.99	5.80	-98.34
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300011372605	0	34	-2.0	-100.42	302.55	5.57	-94.85
O=C([O-])CCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300011372606	0	40	-2.0	-97.80	346.13	7.14	-90.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1C	REAL300011372607	0	40	-2.0	-96.67	322.74	6.36	-90.31
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372608	0	34	-2.0	-103.93	303.80	5.47	-98.46
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300011372609	0	37	-2.0	-95.64	305.74	5.86	-89.78
O=C([O-])C1=CSC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372610	0	31	-2.0	-106.02	294.57	4.56	-101.46
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300011372611	0	38	-2.0	-125.39	329.83	5.63	-119.76
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300011372612	0	43	-2.0	-116.89	350.66	7.52	-109.37
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300011372613	0	41	-2.0	-108.29	347.15	6.19	-102.10
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1CC(=O)[O-]	REAL300011372614	0	41	-2.0	-101.41	353.01	5.68	-95.73
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300011372615	0	40	-2.0	-95.48	321.50	6.37	-89.11
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300011372616	0	40	-2.0	-113.31	328.60	7.17	-106.14
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300011372617	0	38	-2.0	-114.66	316.46	3.93	-110.73
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372618	0	44	-2.0	-96.67	346.70	7.63	-89.04
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC(C(=O)[O-])=C1OC	REAL300011372619	0	42	-2.0	-114.52	359.73	5.35	-109.17
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300011372620	0	38	-2.0	-98.81	333.64	5.84	-92.97
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300011372621	0	35	-2.0	-98.65	309.18	4.93	-93.72
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2)C1	REAL300011372622	0	45	-2.0	-94.59	378.68	6.62	-87.97
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300011372623	0	41	-2.0	-103.55	351.69	6.54	-97.01
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C(Br)S1	REAL300011372624	0	31	-2.0	-103.12	300.63	4.89	-98.23
CC1=C(C(=O)[O-])SC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372625	0	34	-2.0	-104.37	310.93	5.20	-99.17
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CS1	REAL300011372626	0	31	-2.0	-109.27	293.05	4.57	-104.70
CCN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300011372627	0	38	-2.0	-99.15	330.47	5.77	-93.38
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372628	0	41	-2.0	-97.12	334.03	7.07	-90.05
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300011372629	0	34	-2.0	-107.41	299.49	4.49	-102.92
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C(Br)O1	REAL300011372630	0	31	-2.0	-101.16	296.87	4.30	-96.86
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C(C)O1	REAL300011372631	0	37	-2.0	-100.45	312.24	5.79	-94.66
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300011372632	0	38	-2.0	-110.26	334.05	5.79	-104.47
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(OC(F)(F)F)=C1	REAL300011372633	0	38	-2.0	-99.11	340.59	5.89	-93.22
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1C(=O)[O-]	REAL300011372634	0	37	-2.0	-98.91	318.54	6.10	-92.81
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300011372635	0	37	-2.0	-99.14	324.73	6.34	-92.80
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011372636	0	36	-2.0	-93.77	313.89	7.13	-86.64
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300011372637	0	34	-2.0	-110.66	302.16	5.09	-105.57
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300011372638	0	31	-2.0	-96.50	294.80	4.68	-91.82
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300011372639	0	37	-2.0	-99.49	324.73	6.33	-93.16
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011372640	0	36	-2.0	-113.19	325.65	6.65	-106.54
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1CC(=O)[O-]	REAL300011372641	0	46	-2.0	-99.24	359.20	8.07	-91.17
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300011372642	0	37	-2.0	-113.76	312.27	5.93	-107.83
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011372643	0	36	-2.0	-109.88	320.07	7.21	-102.67
CC(C)(C)C1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C(C(=O)[O-])S1	REAL300011372644	0	43	-2.0	-107.82	354.70	7.60	-100.22
CC1=C(Cl)C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300011372645	0	37	-2.0	-105.91	331.27	6.50	-99.41
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1F	REAL300011372646	0	34	-2.0	-101.50	301.49	5.43	-96.07
CC1=C(F)C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(=O)[O-]	REAL300011372647	0	37	-2.0	-104.73	322.57	6.11	-98.62
O=C([O-])C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC2=CC=CC=C21	REAL300011372648	0	40	-2.0	-102.77	342.88	7.66	-95.11
CCC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C(C(=O)[O-])O1	REAL300011372649	0	37	-2.0	-94.68	318.25	5.10	-89.58
CC(C)C(=O)NCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011372678	1	37	-2.0	-96.45	344.90	1.66	-94.79
CS(=O)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011372776	1	29	-2.0	-104.19	298.51	0.38	-103.81
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCC3=CC=C(F)C=C32)=C1	REAL300011372897	1	35	-2.0	-99.89	327.90	6.20	-93.69
CCCOC(=O)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011373340	1	36	-2.0	-94.97	343.08	4.29	-90.68
CC1=CC=C(CC(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1	REAL300011373595	1	43	-2.0	-96.48	378.17	7.61	-88.87
CC(C)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(N)=O	REAL300011373676	1	34	-2.0	-100.01	315.38	1.12	-98.89
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCC2=CC=CC(F)=C2)=C1	REAL300011373816	1	37	-2.0	-94.32	353.57	6.46	-87.86
CC1=NC(C)=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)S1	REAL300011373892	1	36	-2.0	-95.62	351.59	4.05	-91.57
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=NC(OCC3CC3)=C2)=C1	REAL300011373958	1	41	-2.0	-95.12	384.79	4.03	-91.09
CC1=C2NC=C(CC[N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C2=CC=C1	REAL300011374142	1	41	-2.0	-102.52	378.80	6.30	-96.22
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=C1	REAL300011374302	1	33	-2.0	-97.61	320.81	3.68	-93.93
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300011374303	1	33	-2.0	-97.27	328.39	4.20	-93.07
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300011374305	1	33	-2.0	-94.05	339.02	4.64	-89.41
CCC1=NOC(C[N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=C1	REAL300011374306	1	30	-2.0	-90.98	323.38	3.31	-87.67
CCC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300011374311	1	33	-2.0	-90.72	316.27	3.66	-87.06
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300011374321	1	36	-2.0	-102.45	336.58	4.29	-98.16
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300011374323	1	33	-2.0	-92.78	322.56	3.72	-89.06
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300011374325	1	35	-2.0	-90.02	338.99	4.26	-85.76
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)=C1	REAL300011374326	1	37	-2.0	-94.25	351.11	4.24	-90.01
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300011374329	1	36	-2.0	-101.95	332.28	4.19	-97.76
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300011374331	1	36	-2.0	-106.56	335.83	4.28	-102.28
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300011374336	1	33	-2.0	-96.03	336.37	4.57	-91.46
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300011374348	1	33	-2.0	-100.94	316.28	3.65	-97.29
CCC1=NOC(C[N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=C1	REAL300011374364	1	30	-2.0	-96.04	320.99	3.38	-92.66
CCC1=NOC(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300011374369	1	33	-2.0	-99.19	313.84	2.73	-96.46
CCC1=NOC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=C1	REAL300011374370	0	30	-2.0	-93.30	315.00	2.69	-90.61
CCC1=NOC(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])=C1	REAL300011374371	1	36	-2.0	-118.62	326.77	4.05	-114.57
CCC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)=C1	REAL300011374372	1	37	-2.0	-105.91	351.13	4.24	-101.67
CCC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300011374376	1	35	-2.0	-88.87	331.84	5.25	-83.62
CCC1=NOC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300011374383	1	35	-2.0	-108.04	334.53	5.48	-102.56
CCC1=NOC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300011374386	1	33	-2.0	-105.70	314.42	3.62	-102.08
CCC1=NOC(C[N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)=C1	REAL300011374389	1	36	-2.0	-99.32	332.94	3.71	-95.61
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC(N3C=NC=N3)=C2)=C1	REAL300011374402	1	37	-2.0	-103.83	357.45	7.32	-96.51
CC(C)C1=NOC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011374634	1	38	-2.0	-92.80	359.55	2.26	-90.54
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(SC3=CC=CC=C3)CC2)=C1	REAL300011374823	1	39	-2.0	-97.44	370.30	7.39	-90.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCS(=O)(=O)C2)=C1	REAL300011375282	1	34	-2.0	-96.68	320.47	0.61	-96.07
CN1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCC1=O	REAL300011375368	1	35	-2.0	-89.78	319.09	2.53	-87.25
CC1=NC(C)=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)S1	REAL300011375823	1	30	-2.0	-94.74	322.07	2.21	-92.53
NC(=O)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1	REAL300011375863	1	35	-2.0	-103.48	340.73	1.70	-101.78
NC(=O)C([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300011375907	1	37	-2.0	-99.62	347.40	3.18	-96.44
NC(=O)C([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300011375914	1	37	-2.0	-118.65	352.68	3.46	-115.19
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(C3=CC=CC=C3)CCC2)=C1	REAL300011376098	1	41	-2.0	-95.97	367.99	7.27	-88.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(C3=CC=CC=C3)CC2)=C1	REAL300011376288	1	38	-2.0	-96.66	356.92	6.86	-89.80
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C(N3C=CC=N3)N=C2)=C1	REAL300011376414	1	37	-2.0	-94.57	359.73	5.29	-89.28
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC=C2OC(F)F)=C1	REAL300011376621	1	35	-2.0	-99.00	342.36	4.42	-94.58
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C(OCC3CC3)N=C2)=C1	REAL300011376696	1	41	-2.0	-92.97	384.74	4.01	-88.96
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCCC3=CC=CC=C32)=C1	REAL300011376917	1	41	-2.0	-93.75	349.56	7.87	-85.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCNC2=O)=C1	REAL300011377216	1	32	-2.0	-103.61	303.28	0.53	-103.08
CC1=CC=CC(C(C)(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300011377416	1	43	-2.0	-98.10	378.00	7.28	-90.82
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2=NC=CN2C(F)F)=C(F)C=C1F	REAL300011377567	1	31	-2.0	-108.73	315.15	3.31	-105.42
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NC=CN2C(F)F)=C1	REAL300011377583	1	31	-2.0	-95.29	313.54	3.20	-92.09
CC(CN1C=NC=N1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011377695	1	33	-2.0	-101.12	315.87	5.36	-95.76
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2CC3CCC2C3)=C1	REAL300011377787	1	41	-2.0	-96.20	350.18	6.12	-90.08
CN(C)C1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300011377888	1	42	-2.0	-98.05	377.17	6.00	-92.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC(=O)NC2=CC=CC(F)=C2)=C1	REAL300011377976	1	35	-2.0	-102.48	344.83	3.25	-99.23
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC3=CC=CN=C32)=C1	REAL300011378195	1	36	-2.0	-108.49	344.27	5.29	-103.20
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)CN1CCOCC1	REAL300011378323	1	43	-2.0	-94.47	373.00	2.08	-92.39
CC1=CC=CN=C1C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011378567	1	30	-2.0	-99.24	308.63	2.48	-96.76
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2COC3=CC=CC=C32)=C1	REAL300011378628	1	33	-2.0	-96.97	312.83	4.09	-92.88
CC1=NOC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011378768	1	32	-2.0	-92.46	317.24	1.19	-91.27
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCOC3=CC=CC=C32)=C1	REAL300011378959	1	39	-2.0	-99.34	345.88	5.92	-93.42
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)N1CCCCC1C	REAL300011379058	1	44	-2.0	-102.04	368.08	4.63	-97.41
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCOC2=CC=CN=C2)=C1	REAL300011379128	1	34	-2.0	-96.63	328.94	2.65	-93.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC(=O)NCC2=CC=CC=C2)=C1	REAL300011379224	1	41	-2.0	-99.93	385.26	3.95	-95.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC(=O)NC2=CC=CN=C2)=C1	REAL300011379281	1	34	-2.0	-98.10	333.29	1.43	-96.67
CNC(=O)C1=CC=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300011379351	1	41	-2.0	-106.85	382.15	3.87	-102.98
CC1=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC(C)=C1	REAL300011379625	1	40	-2.0	-97.51	368.48	6.92	-90.59
CC1=CC=CC(C(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300011379704	1	40	-2.0	-96.97	363.75	6.81	-90.16
CC1=C(C[N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)N=CO1	REAL300011379970	1	27	-2.0	-97.21	300.13	-0.25	-97.46
CC1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)N=CO1	REAL300011379989	1	30	-2.0	-98.37	299.29	0.15	-98.22
CC1=C(C[N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)N=CO1	REAL300011380030	1	27	-2.0	-100.50	297.76	-0.19	-100.69
CC1=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)N=CO1	REAL300011380036	1	27	-2.0	-97.84	291.74	-0.88	-98.72
CC1=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N=CO1	REAL300011380042	1	32	-2.0	-96.18	306.00	1.66	-94.52
CC1=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])N=CO1	REAL300011380049	1	32	-2.0	-119.09	311.26	1.92	-117.17
CCC1=CC=C(C(C)(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300011380068	1	46	-2.0	-98.12	399.49	8.05	-90.07
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CC2C2CCCCC2)=C1	REAL300011380286	1	41	-2.0	-95.99	358.28	6.57	-89.42
CC1=CSC(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)C2CC2)=N1	REAL300011380349	1	37	-2.0	-102.33	361.21	4.77	-97.56
CC1=CSC(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2CC2)=N1	REAL300011380360	1	37	-2.0	-97.14	360.03	5.13	-92.01
CC1=CSC(C([N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])C2CC2)=N1	REAL300011380392	1	40	-2.0	-123.21	364.85	5.43	-117.78
CC1=CSC(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C2CC2)=N1	REAL300011380395	1	39	-2.0	-92.30	364.80	6.09	-86.21
CC1=CSC(C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C2CC2)=N1	REAL300011380401	1	39	-2.0	-113.58	375.13	6.55	-107.03
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)CC1=CC=CS1	REAL300011380425	1	37	-2.0	-94.96	353.74	6.00	-88.96
CC1=CN=C(C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2CC2)S1	REAL300011380493	1	37	-2.0	-99.73	363.50	4.99	-94.74
CC1=CN=C(C([N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])C2CC2)S1	REAL300011380528	1	39	-2.0	-94.17	365.18	6.28	-87.89
CC1=CN=C(C([N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])C2CC2)S1	REAL300011380534	1	39	-2.0	-115.15	372.81	7.07	-108.08
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=C1	REAL300011380540	1	42	-2.0	-98.51	378.50	5.53	-92.98
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300011380545	1	42	-2.0	-91.73	373.97	5.51	-86.22
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300011380550	1	45	-2.0	-103.41	394.27	6.14	-97.27
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300011380551	1	42	-2.0	-93.61	378.98	5.50	-88.11
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300011380553	1	44	-2.0	-90.83	395.41	6.04	-84.79
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300011380555	1	45	-2.0	-102.81	387.85	5.92	-96.89
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)=C1	REAL300011380556	1	45	-2.0	-107.78	392.26	6.07	-101.71
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300011380565	1	42	-2.0	-101.82	372.70	5.44	-96.38
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300011380582	1	42	-2.0	-99.95	369.79	4.48	-95.47
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])=C1	REAL300011380583	1	45	-2.0	-120.20	384.46	5.90	-114.30
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300011380586	1	44	-2.0	-91.25	385.38	6.95	-84.30
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300011380592	1	44	-2.0	-109.40	390.95	7.27	-102.13
CCC(CC)C1=NOC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300011380593	1	42	-2.0	-107.00	370.84	5.40	-101.60
CC(CCC1=CC=CN1C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011380900	1	41	-2.0	-97.05	367.26	6.69	-90.36
NC(=O)CCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011381670	1	34	-2.0	-100.54	324.93	0.21	-100.33
CC(C)(C)[C@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(N)=O	REAL300011381768	1	37	-2.0	-98.39	326.42	0.76	-97.63
CCSC1CCCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011381854	1	41	-2.0	-97.03	360.68	6.81	-90.22
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=NNC=N1	REAL300011381938	1	30	-2.0	-101.46	294.98	2.61	-98.85
CC([N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C1=NNC=N1	REAL300011381979	1	27	-2.0	-104.20	293.41	2.27	-101.93
CC([N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1)C1=NNC=N1	REAL300011381985	1	27	-2.0	-101.23	287.42	1.59	-99.64
CC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C1=NNC=N1	REAL300011381998	1	32	-2.0	-119.63	306.95	4.35	-115.28
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F)C1=NOC(C)=N1	REAL300011382011	1	35	-2.0	-106.90	335.61	1.69	-105.21
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C1=NOC(C)=N1	REAL300011382012	1	35	-2.0	-104.51	338.47	1.94	-102.57
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C1=NOC(C)=N1	REAL300011382014	1	35	-2.0	-103.09	354.00	2.64	-100.45
CCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=NOC(C)=N1	REAL300011382019	1	35	-2.0	-99.27	331.09	1.68	-97.59
CCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=NOC(C)=N1	REAL300011382021	1	35	-2.0	-97.78	338.83	2.19	-95.59
CCC([N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300011382025	1	35	-2.0	-104.46	346.01	2.17	-102.29
CCC([N-]S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300011382026	1	35	-2.0	-101.89	343.66	2.08	-99.81
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C1=NOC(C)=N1	REAL300011382027	1	38	-2.0	-112.20	351.40	2.31	-109.89
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=NOC(C)=N1	REAL300011382029	0	35	-2.0	-102.04	337.38	1.74	-100.30
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=NOC(C)=N1	REAL300011382031	1	37	-2.0	-96.96	353.50	2.30	-94.66
CCC([N-]S(=O)(=O)C1=CC(OC)=C(C(=O)[O-])C=C1Cl)C1=NOC(C)=N1	REAL300011382032	1	39	-2.0	-102.35	360.33	2.02	-100.33
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F)C1=NOC(C)=N1	REAL300011382034	1	38	-2.0	-110.63	342.41	1.86	-108.77
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1Cl)C1=NOC(C)=N1	REAL300011382035	1	38	-2.0	-111.24	357.52	2.76	-108.48
CCC([N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F)C1=NOC(C)=N1	REAL300011382036	1	38	-2.0	-118.79	350.77	2.30	-116.49
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C1=NOC(C)=N1	REAL300011382040	1	35	-2.0	-107.32	333.08	1.95	-105.37
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C1=NOC(C)=N1	REAL300011382041	1	35	-2.0	-105.17	350.03	2.51	-102.66
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C1=NOC(C)=N1	REAL300011382051	1	35	-2.0	-108.92	325.49	1.43	-107.49
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=NOC(C)=N1	REAL300011382053	1	32	-2.0	-106.21	318.59	0.65	-105.56
CCC([N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300011382067	1	32	-2.0	-109.50	316.96	0.67	-108.83
CCC([N-]S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300011382070	1	35	-2.0	-108.00	328.67	0.76	-107.24
CCC([N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300011382071	0	32	-2.0	-101.89	330.01	0.69	-101.20
CCC([N-]S(=O)(=O)C1=C(C)OC(C)=C1C(=O)[O-])C1=NOC(C)=N1	REAL300011382072	1	38	-2.0	-129.44	340.63	2.09	-127.35
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(OC)C=C1Cl)C1=NOC(C)=N1	REAL300011382073	1	39	-2.0	-113.46	361.20	1.98	-111.48
CCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C1=NOC(C)=N1	REAL300011382076	0	37	-2.0	-97.19	340.81	2.92	-94.27
CCC([N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300011382080	1	37	-2.0	-112.19	352.11	2.71	-109.48
CCC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C1=NOC(C)=N1	REAL300011382083	0	37	-2.0	-116.94	349.24	3.49	-113.45
CCC([N-]S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1)C1=NOC(C)=N1	REAL300011382084	1	44	-2.0	-107.92	369.51	3.79	-104.13
CCC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C1=NOC(C)=N1	REAL300011382086	1	35	-2.0	-117.89	329.02	1.65	-116.24
CSC1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011382117	1	35	-2.0	-95.43	329.42	4.99	-90.44
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CN2)=C1	REAL300011382209	1	29	-2.0	-95.08	288.90	2.59	-92.49
O=C([O-])C1=CC(S(=O)(=O)[N-]C2CCCC(C(F)(F)F)C2)=C(F)C=C1F	REAL300011382299	1	37	-2.0	-95.14	333.99	5.72	-89.42
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCC(C(F)(F)F)C2)=C1	REAL300011382311	0	37	-2.0	-93.00	339.50	5.48	-87.52
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2CCCC(C(F)(F)F)C2)=C1[N+](=O)[O-]	REAL300011382355	1	39	-2.0	-109.85	351.46	7.20	-102.65
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCC(C(F)(F)F)CC2)=C1	REAL300011382476	1	37	-2.0	-92.36	339.49	5.48	-86.88
CC(C)C(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)N1CCOCC1	REAL300011382613	1	46	-2.0	-96.87	381.18	3.16	-93.71
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C(Cl)N=C2)=C1	REAL300011382934	1	30	-2.0	-90.48	315.88	3.44	-87.04
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=CN=C2)=C1	REAL300011383201	1	33	-2.0	-95.56	320.50	3.81	-91.75
COC(=O)C1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCCC1	REAL300011383436	1	37	-2.0	-94.71	332.37	5.16	-89.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC(F)=C2)=C1	REAL300011383548	1	31	-2.0	-93.75	310.57	4.87	-88.88
CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011384048	1	41	-2.0	-93.95	370.77	1.60	-92.35
CCOC(=O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011384130	1	30	-2.0	-94.43	300.55	2.87	-91.56
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CNC3=CC(F)=CC=C23)=C1	REAL300011384207	1	38	-2.0	-98.01	363.99	5.72	-92.29
CCC(COC)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011384274	1	34	-2.0	-94.64	317.53	2.58	-92.06
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300011384693	1	33	-2.0	-93.78	332.39	5.47	-88.31
CCOCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011384775	1	31	-2.0	-95.84	299.71	1.86	-93.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NC3=CC=CC=C3S2)=C1	REAL300011385484	1	33	-2.0	-100.24	335.83	4.26	-95.98
CN(CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1	REAL300011385634	1	42	-2.0	-95.99	377.34	6.29	-89.70
CCOC(=O)N1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011385696	1	42	-2.0	-96.35	371.78	4.15	-92.20
CCN(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC(C)=C1	REAL300011385934	1	45	-2.0	-97.82	399.31	7.12	-90.70
COC1=CC=CC=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011385991	1	38	-2.0	-101.66	353.98	4.95	-96.71
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCN2C=CC3=CC=CC=C32)=C1	REAL300011386061	1	41	-2.0	-95.77	379.97	7.60	-88.17
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCN2CCCCCC2=O)=C1	REAL300011386327	1	44	-2.0	-104.12	382.78	5.05	-99.07
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=CS2)=C1	REAL300011386400	1	31	-2.0	-94.86	315.89	4.69	-90.17
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=CC(Cl)=C2)=C1	REAL300011386487	1	34	-2.0	-94.67	342.39	6.11	-88.56
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=CC=C2F)=C1	REAL300011386716	1	34	-2.0	-99.74	331.23	5.63	-94.11
CCCNC(=O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011387267	1	34	-2.0	-98.92	325.83	1.05	-97.87
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCN2C=NC3=CC=CC=C32)=C1	REAL300011390698	1	40	-2.0	-96.37	374.51	7.18	-89.19
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCSC2=CC=CC=C2)=C1	REAL300011390931	1	35	-2.0	-95.08	344.46	6.05	-89.03
CC(C)NC(=O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011391306	1	34	-2.0	-100.04	324.96	1.10	-98.94
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=NC3=CC=CC=C3S2)=C1	REAL300011391388	1	36	-2.0	-100.83	357.33	5.02	-95.81
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=C3OCOC3=C2)=C1	REAL300011391530	1	37	-2.0	-96.29	351.73	4.26	-92.03
COC1=CC=C(C)C=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011391813	1	41	-2.0	-102.06	375.38	5.62	-96.44
CCN(CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1	REAL300011391923	1	45	-2.0	-95.73	399.41	7.23	-88.50
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCOCC2CC2)=C1	REAL300011391987	1	38	-2.0	-93.93	352.95	4.20	-89.73
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=CC(F)=C2)=C1	REAL300011392079	1	34	-2.0	-95.00	332.07	5.66	-89.34
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCOC2CCCCC2)=C1	REAL300011392160	1	44	-2.0	-94.20	383.18	5.29	-88.91
CC(C)COCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011392368	1	40	-2.0	-93.83	362.88	4.12	-89.71
CC(OCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1	REAL300011392446	1	44	-2.0	-95.64	400.25	6.46	-89.18
COCCOCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011392509	1	38	-2.0	-96.42	354.91	1.88	-94.54
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCOCC2CCCO2)=C1	REAL300011392592	1	42	-2.0	-97.78	378.36	3.07	-94.71
COC1=CC=C(OCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300011392685	1	39	-2.0	-97.26	363.56	3.73	-93.53
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300011393210	1	34	-2.0	-90.58	342.91	5.80	-84.78
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(C3=CC=CC=C3)CCCC2)=C1	REAL300011396584	1	44	-2.0	-99.15	379.54	8.05	-91.10
CC(=O)NCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011401253	1	31	-2.0	-96.94	304.76	0.18	-96.76
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCOC2=CC=CC=C2)=C1	REAL300011401487	1	35	-2.0	-97.80	334.06	4.44	-93.36
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)N1CCOCC1	REAL300011401567	1	43	-2.0	-95.70	361.30	1.41	-94.29
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCOC3=CC=CC=C32)=C1	REAL300011401642	1	36	-2.0	-97.48	334.82	4.83	-92.65
CC(C)=CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011402502	1	34	-2.0	-94.79	316.73	4.52	-90.27
CCC(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011402667	1	36	-2.0	-94.59	318.61	4.48	-90.11
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2CC3=CC=CC=C3C2)=C1	REAL300011402814	1	41	-2.0	-95.77	369.16	7.39	-88.38
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CC3CCC2C3)=C1	REAL300011403045	1	38	-2.0	-97.21	331.14	5.43	-91.78
CC(C)(C)OC1CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011403125	1	47	-2.0	-96.09	404.61	5.76	-90.33
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=C3OCCC3=C2)=C1	REAL300011403273	1	39	-2.0	-96.25	361.56	5.44	-90.81
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCC3(CCCCC3)O2)=C1	REAL300011403454	1	45	-2.0	-101.65	382.29	5.48	-96.17
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCS(=O)(=O)C2)=C1	REAL300011403613	1	34	-2.0	-95.00	329.61	0.51	-94.49
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C(C3CCC3)C=C2)=C1	REAL300011404056	1	41	-2.0	-96.89	369.93	7.39	-89.50
CC(C)=CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011404131	1	31	-2.0	-95.19	295.22	3.72	-91.47
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@H]2CCOC3=C(F)C=CC=C32)=C1	REAL300011404413	1	36	-2.0	-93.83	340.95	4.91	-88.92
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCOC2)=C1	REAL300011404543	1	29	-2.0	-93.31	274.78	1.46	-91.85
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCOC3=CC=C(F)C=C32)=C1	REAL300011404606	1	36	-2.0	-98.00	341.07	4.90	-93.10
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC(C(F)F)=C2)=C1	REAL300011404675	1	34	-2.0	-96.91	336.34	5.66	-91.25
CC1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011404890	1	40	-2.0	-96.15	333.24	5.57	-90.58
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=C3NC=CC3=CC=C2)=C1	REAL300011405080	1	35	-2.0	-97.93	335.53	4.80	-93.13
CCC(O)(CC)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011405168	1	40	-2.0	-93.93	346.15	2.09	-91.84
CC(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)CC(C)(C)C	REAL300011405258	1	45	-2.0	-95.32	375.12	6.14	-89.18
COC(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F)C(F)(F)F	REAL300011405323	1	34	-2.0	-97.35	332.38	2.67	-94.68
COC(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(F)(F)F	REAL300011405339	0	34	-2.0	-92.61	334.16	2.72	-89.89
COC(CC[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(F)(F)F	REAL300011405387	1	36	-2.0	-108.89	346.15	4.48	-104.41
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=C(F)C(F)=C2)=C1	REAL300011405500	1	34	-2.0	-91.97	338.38	5.72	-86.25
COC(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011405663	1	31	-2.0	-95.67	298.13	1.60	-94.07
CC(C)C(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=NN1C	REAL300011405731	1	43	-2.0	-93.64	375.86	5.32	-88.32
O=C([O-])C1=CC(S(=O)(=O)[N-]CCOC(F)(F)F)=C(F)C=C1F	REAL300011405787	1	28	-2.0	-94.85	294.42	1.43	-93.42
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]CCOC(F)(F)F)=C1	REAL300011405790	1	28	-2.0	-91.25	312.66	2.38	-88.87
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]CCOC(F)(F)F)S1	REAL300011405791	1	25	-2.0	-89.43	297.02	1.06	-88.37
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCOC(F)(F)F)=C1	REAL300011405808	0	28	-2.0	-90.54	296.19	1.47	-89.07
O=C([O-])C1=CC(S(=O)(=O)[N-]CCOC(F)(F)F)=C(Cl)C=C1Cl	REAL300011405821	1	28	-2.0	-92.88	310.01	2.31	-90.57
O=C([O-])C1=CC(S(=O)(=O)[N-]CCOC(F)(F)F)=C(Br)S1	REAL300011405849	1	25	-2.0	-93.04	294.65	1.13	-91.91
O=C([O-])C1=CC(S(=O)(=O)[N-]CCOC(F)(F)F)=C(Br)O1	REAL300011405855	1	25	-2.0	-90.65	288.63	0.44	-90.21
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]CCOC(F)(F)F)=C1[N+](=O)[O-]	REAL300011405868	1	30	-2.0	-109.35	308.18	3.23	-106.12
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCOCC(F)F)=C1	REAL300011405903	1	31	-2.0	-101.00	312.72	2.17	-98.83
CCOC(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011406003	1	37	-2.0	-97.24	332.53	3.08	-94.16
CC(C)(C)C1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011406336	1	49	-2.0	-97.86	383.55	6.97	-90.89
CC1(C)CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011406577	1	37	-2.0	-95.60	332.76	4.98	-90.62
CC1=CC=C2C(CC[N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CNC2=C1	REAL300011407900	1	41	-2.0	-102.23	378.95	6.31	-95.92
CC(C)C(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)CC1=CC=CC=C1	REAL300011407949	1	46	-2.0	-95.21	392.89	8.47	-86.74
CC(C)C(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(C)C	REAL300011408013	1	42	-2.0	-94.58	348.49	5.96	-88.62
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CNC3=CC(F)=CC=C23)=C1	REAL300011408092	1	38	-2.0	-98.01	363.99	5.72	-92.29
COC1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)OC2=CC=CC=C21	REAL300011408143	1	38	-2.0	-105.19	363.79	4.62	-100.57
COC1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)OC2=CC=CC=C21	REAL300011408154	1	38	-2.0	-100.54	365.56	4.66	-95.88
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)S1	REAL300011408391	1	33	-2.0	-95.63	337.10	2.84	-92.79
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)S1	REAL300011408392	1	34	-2.0	-91.01	353.69	2.35	-88.66
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)S1	REAL300011408394	0	30	-2.0	-97.72	326.40	2.09	-95.63
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)S1	REAL300011408395	1	30	-2.0	-96.90	333.98	2.62	-94.28
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300011408400	1	30	-2.0	-93.18	321.86	2.08	-91.10
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)S1	REAL300011408401	1	30	-2.0	-95.36	322.80	2.07	-93.29
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)S1	REAL300011408402	1	30	-2.0	-91.44	329.44	2.60	-88.84
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300011408403	1	30	-2.0	-93.49	320.93	2.05	-91.44
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)S1	REAL300011408405	1	33	-2.0	-97.15	345.84	3.23	-93.92
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)S1	REAL300011408406	1	30	-2.0	-97.70	337.10	2.54	-95.16
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)S1	REAL300011408407	1	30	-2.0	-95.08	334.75	2.45	-92.63
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)S1	REAL300011408408	1	33	-2.0	-102.54	342.15	2.71	-99.83
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)S1	REAL300011408409	0	30	-2.0	-93.58	328.15	2.13	-91.45
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)S1	REAL300011408411	1	32	-2.0	-91.76	344.58	2.68	-89.08
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)S1	REAL300011408413	1	33	-2.0	-102.13	337.87	2.61	-99.52
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)S1	REAL300011408414	1	33	-2.0	-101.49	348.16	3.17	-98.32
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)S1	REAL300011408415	1	33	-2.0	-112.03	341.43	2.70	-109.33
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)S1	REAL300011408417	1	33	-2.0	-97.30	346.93	3.28	-94.02
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)S1	REAL300011408418	1	30	-2.0	-99.72	329.46	2.61	-97.11
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300011408426	1	30	-2.0	-101.07	321.87	2.07	-99.00
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)S1	REAL300011408428	1	27	-2.0	-98.75	309.58	1.04	-97.71
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)S1	REAL300011408440	1	30	-2.0	-96.74	325.53	1.70	-95.04
CSC1=NN=C(C[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)S1	REAL300011408441	1	27	-2.0	-102.39	308.04	1.04	-101.35
CSC1=NN=C(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)S1	REAL300011408444	1	30	-2.0	-98.41	319.40	1.15	-97.26
CSC1=NN=C(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])S1	REAL300011408445	1	33	-2.0	-125.55	332.35	2.46	-123.09
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300011408448	0	32	-2.0	-90.54	334.83	3.64	-86.90
CSC1=NN=C(C[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)S1	REAL300011408449	1	30	-2.0	-101.10	325.02	1.91	-99.19
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)S1	REAL300011408450	1	27	-2.0	-95.46	308.65	1.15	-94.31
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)S1	REAL300011408452	1	32	-2.0	-105.90	342.97	3.09	-102.81
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])S1	REAL300011408454	0	32	-2.0	-114.55	340.12	3.90	-110.65
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300011408456	1	30	-2.0	-111.25	320.05	2.03	-109.22
CSC1=NN=C(C[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)S1	REAL300011408457	1	33	-2.0	-99.56	341.36	2.68	-96.88
CCOC1CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011408745	1	41	-2.0	-96.51	369.17	4.60	-91.91
CCOC(=O)N1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011408825	1	39	-2.0	-98.67	359.37	3.26	-95.41
CN1N=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2=CC=CC=C21	REAL300011408923	1	40	-2.0	-103.00	375.62	5.48	-97.52
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C(Br)O2)=C1	REAL300011409008	1	28	-2.0	-92.45	306.61	3.67	-88.78
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCC(CC3=CC=CC=C3)C2)=C1	REAL300011409056	1	44	-2.0	-96.96	386.02	8.29	-88.67
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCN2CCCOCC2)=C1	REAL300011409211	1	40	-2.0	-95.30	347.48	1.41	-93.89
C=CCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011409439	1	34	-2.0	-93.62	321.56	4.71	-88.91
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCN3C=CN=C3C2)=C1	REAL300011409550	1	35	-2.0	-100.14	321.64	4.44	-95.70
CSCCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011409815	1	37	-2.0	-94.38	353.49	5.38	-89.00
CC(C)(O)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011410240	1	34	-2.0	-96.08	314.15	0.59	-95.49
CS(=O)(=O)CCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011410847	1	39	-2.0	-105.06	372.39	1.70	-103.36
CC(O)(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1	REAL300011411065	1	41	-2.0	-96.96	368.64	3.52	-93.44
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C(Cl)C=C2F)=C1	REAL300011411134	1	31	-2.0	-95.39	326.58	5.34	-90.05
CN1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1=O	REAL300011411267	1	32	-2.0	-105.26	303.61	2.87	-102.39
CS(=O)(=O)N1CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011411352	1	36	-2.0	-98.75	351.98	-0.20	-98.95
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300011411522	0	30	-2.0	-96.88	274.60	4.59	-92.29
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(OCCO2)C(C(=O)[O-])=C1	REAL300011411523	0	33	-2.0	-106.43	304.59	3.91	-102.52
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1	REAL300011411524	0	31	-2.0	-100.85	298.53	4.45	-96.40
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(F)=C1	REAL300011411525	0	37	-2.0	-98.81	340.98	5.36	-93.45
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300011411526	0	31	-2.0	-98.43	308.34	4.93	-93.50
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCCC(=O)[O-])C(Cl)=C1	REAL300011411527	0	37	-2.0	-97.09	350.77	5.84	-91.25
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1OCC(=O)[O-]	REAL300011411528	0	34	-2.0	-98.68	312.37	5.10	-93.58
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1OCCCC(=O)[O-]	REAL300011411529	0	40	-2.0	-96.15	354.82	6.03	-90.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F	REAL300011411530	0	27	-2.0	-104.39	266.37	4.04	-100.35
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300011411531	0	27	-2.0	-103.53	273.62	4.43	-99.10
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300011411532	0	27	-2.0	-100.98	290.71	4.96	-96.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300011411533	0	27	-2.0	-98.74	284.31	4.87	-93.87
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300011411534	0	24	-2.0	-94.18	275.50	3.90	-90.28
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(C)=C1C(=O)[O-]	REAL300011411535	0	33	-2.0	-107.22	288.46	5.17	-102.05
CCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)[O-]	REAL300011411536	0	33	-2.0	-120.63	295.48	5.29	-115.34
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300011411537	0	27	-2.0	-96.56	284.33	4.72	-91.84
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300011411538	0	30	-2.0	-96.96	286.41	5.08	-91.88
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300011411539	0	27	-2.0	-93.81	268.03	4.39	-89.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Br	REAL300011411540	0	27	-2.0	-91.71	268.22	4.29	-87.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300011411541	0	27	-2.0	-100.88	273.68	4.52	-96.36
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300011411542	0	30	-2.0	-97.84	283.18	4.96	-92.88
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1	REAL300011411543	0	27	-2.0	-102.91	283.74	4.64	-98.27
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300011411544	0	27	-2.0	-100.07	281.39	4.55	-95.52
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1F	REAL300011411545	0	30	-2.0	-100.56	282.94	4.67	-95.89
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1Br	REAL300011411546	0	30	-2.0	-106.23	289.69	5.11	-101.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)CCC(=O)[O-])C=C1	REAL300011411547	0	35	-2.0	-94.53	324.97	5.53	-89.00
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011411548	0	27	-2.0	-93.60	268.93	4.09	-89.51
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C(=O)[O-])=C1C	REAL300011411549	0	33	-2.0	-113.38	299.83	5.27	-108.11
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300011411550	0	29	-2.0	-91.79	291.22	4.77	-87.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300011411551	0	27	-2.0	-103.59	276.05	4.57	-99.02
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(Cl)C=C1C(=O)[O-]	REAL300011411552	0	31	-2.0	-97.45	296.30	4.48	-92.97
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(Br)=C1	REAL300011411553	0	27	-2.0	-100.07	277.42	4.61	-95.46
CC1=C(Br)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)[O-]	REAL300011411554	0	30	-2.0	-104.43	300.88	5.27	-99.16
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300011411555	0	30	-2.0	-98.06	287.20	5.06	-93.00
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C(=O)[O-])=C1F	REAL300011411556	0	30	-2.0	-102.51	287.87	4.76	-97.75
COC1=CC(Br)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)[O-]	REAL300011411557	0	31	-2.0	-111.07	298.74	4.61	-106.46
CC1=CC(F)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)[O-]	REAL300011411558	0	30	-2.0	-100.21	278.70	4.58	-95.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1Cl	REAL300011411559	0	30	-2.0	-99.83	286.72	4.97	-94.86
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300011411560	0	30	-2.0	-112.57	282.24	4.67	-107.90
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300011411561	0	30	-2.0	-101.04	291.33	4.92	-96.12
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C(=O)[O-])=C1Cl	REAL300011411562	0	30	-2.0	-100.35	294.26	5.06	-95.29
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300011411563	0	30	-2.0	-96.87	281.84	4.97	-91.90
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(Cl)C(C(=O)[O-])=C1	REAL300011411564	0	27	-2.0	-101.10	294.92	5.06	-96.04
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl	REAL300011411565	0	27	-2.0	-99.13	268.00	4.39	-94.74
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300011411566	0	27	-2.0	-96.20	281.12	4.81	-91.39
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300011411567	0	31	-2.0	-106.81	284.79	4.01	-102.80
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(=O)[O-])=C1	REAL300011411568	0	27	-2.0	-115.47	277.48	4.60	-110.87
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300011411569	0	34	-2.0	-94.53	319.49	2.69	-91.84
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300011411570	0	35	-2.0	-105.81	316.26	5.31	-100.50
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Br	REAL300011411571	0	27	-2.0	-96.60	268.00	4.28	-92.32
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300011411572	0	33	-2.0	-98.51	306.60	5.70	-92.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300011411573	0	33	-2.0	-105.51	286.15	5.05	-100.46
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)[O-]	REAL300011411574	0	31	-2.0	-106.69	288.51	4.18	-102.51
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300011411575	0	36	-2.0	-113.22	307.47	5.69	-107.53
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300011411576	0	34	-2.0	-105.95	307.10	4.79	-101.16
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1CC(=O)[O-]	REAL300011411577	0	34	-2.0	-126.78	311.68	4.25	-122.53
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)[O-]	REAL300011411578	0	33	-2.0	-119.96	287.69	5.27	-114.69
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300011411579	0	33	-2.0	-106.07	294.93	5.95	-100.12
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300011411580	0	31	-2.0	-105.44	278.11	2.59	-102.85
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCCC2	REAL300011411581	0	37	-2.0	-107.08	319.30	6.96	-100.12
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C(=O)[O-])=C1OC	REAL300011411582	0	35	-2.0	-110.65	321.35	3.91	-106.74
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300011411583	0	31	-2.0	-98.13	294.10	4.39	-93.74
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CC(C(=O)[O-])CC2=O)C=C1	REAL300011411584	0	38	-2.0	-95.12	339.87	5.16	-89.96
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)[O-]	REAL300011411585	0	34	-2.0	-127.08	310.33	5.09	-121.99
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300011411586	0	24	-2.0	-95.64	264.78	3.65	-91.99
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC2=C1CCC2	REAL300011411587	0	34	-2.0	-115.16	299.29	5.83	-109.33
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011411588	0	24	-2.0	-103.43	259.47	3.06	-100.37
COC1=CC(Cl)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)[O-]	REAL300011411589	0	31	-2.0	-110.88	296.31	4.49	-106.39
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC(F)(F)F	REAL300011411590	0	31	-2.0	-95.53	301.32	4.52	-91.01
CC1=C(Br)C=C(S(=O)(=O)N(C)CC(=O)[O-])C(C)=C1C(=O)[O-]	REAL300011411591	0	33	-2.0	-97.27	306.18	5.73	-91.54
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011411592	0	29	-2.0	-97.88	281.86	5.85	-92.03
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300011411593	0	29	-2.0	-124.30	287.77	5.19	-119.11
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C(C)=C1CC(=O)[O-]	REAL300011411594	0	39	-2.0	-107.11	318.64	6.67	-100.44
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300011411595	0	30	-2.0	-103.88	273.87	4.59	-99.29
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300011411596	0	29	-2.0	-103.69	278.20	6.01	-97.68
CN(CC(=O)[O-])S(=O)(=O)C1=C(C(C)(C)C)SC(C(=O)[O-])=C1	REAL300011411597	0	36	-2.0	-104.94	315.83	6.19	-98.75
CC1=C(Cl)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)[O-]	REAL300011411598	0	30	-2.0	-104.19	296.78	5.17	-99.02
CC1=C(F)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)[O-]	REAL300011411599	0	30	-2.0	-102.82	287.97	4.78	-98.04
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300011411600	0	33	-2.0	-117.55	303.47	6.26	-111.29
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCC3CC32)=C1	REAL300011411627	1	32	-2.0	-94.69	292.34	4.91	-89.78
CCSCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011411778	1	34	-2.0	-93.78	331.95	4.70	-89.08
CC1(C)C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1(C)C	REAL300011411954	1	40	-2.0	-97.47	347.97	5.41	-92.06
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CNC(=O)O2)=C1	REAL300011412285	1	30	-2.0	-101.10	297.55	-1.07	-102.17
N#CC1CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011412380	1	38	-2.0	-94.50	347.51	5.47	-89.03
O=C([O-])C1=CC(S(=O)(=O)[N-]CCCC(F)(F)F)=C(F)C=C1F	REAL300011412448	1	30	-2.0	-95.37	303.61	3.71	-91.66
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]CCCC(F)(F)F)=C1	REAL300011412451	1	30	-2.0	-91.85	321.85	4.66	-87.19
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]CCCC(F)(F)F)S1	REAL300011412452	1	27	-2.0	-89.24	306.21	3.34	-85.90
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCC(F)(F)F)=C1	REAL300011412469	0	30	-2.0	-90.79	305.38	3.75	-87.04
O=C([O-])C1=CC(S(=O)(=O)[N-]CCCC(F)(F)F)=C(Cl)C=C1Cl	REAL300011412482	1	30	-2.0	-93.70	319.20	4.59	-89.11
O=C([O-])C1=CC(S(=O)(=O)[N-]CCCC(F)(F)F)=C(Br)S1	REAL300011412510	1	27	-2.0	-93.77	303.84	3.41	-90.36
O=C([O-])C1=CC(S(=O)(=O)[N-]CCCC(F)(F)F)=C(Br)O1	REAL300011412516	1	27	-2.0	-91.05	297.82	2.72	-88.33
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]CCCC(F)(F)F)=C1[N+](=O)[O-]	REAL300011412529	1	32	-2.0	-108.16	317.37	5.51	-102.65
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F)C(F)(F)F	REAL300011412641	1	33	-2.0	-93.69	317.56	4.18	-89.51
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(F)(F)F	REAL300011412644	1	33	-2.0	-90.12	335.80	5.14	-84.98
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(F)(F)F	REAL300011412659	0	33	-2.0	-88.86	319.33	4.23	-84.63
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(F)(F)F	REAL300011412671	1	33	-2.0	-92.02	333.15	5.07	-86.95
CC(C)(C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1)C(F)(F)F	REAL300011412701	1	30	-2.0	-89.13	311.76	3.19	-85.94
CC(C)(C[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(F)(F)F	REAL300011412713	1	35	-2.0	-104.74	330.09	5.94	-98.80
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC=C3NC=CC3=C2)=C1	REAL300011412738	1	38	-2.0	-101.52	357.04	5.64	-95.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCC3=CC=CC=C3OC2)=C1	REAL300011413179	1	39	-2.0	-98.71	347.86	5.43	-93.28
CC1CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC(C)O1	REAL300011413594	1	44	-2.0	-94.32	373.08	4.78	-89.54
COCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCC1	REAL300011413757	1	38	-2.0	-99.04	340.94	4.27	-94.77
CC1CCCC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011413919	1	37	-2.0	-96.37	323.91	4.85	-91.52
N#CC1=CC=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300011414215	1	35	-2.0	-95.65	346.53	5.98	-89.67
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCOC(F)F)=C1	REAL300011414415	1	31	-2.0	-94.10	311.02	2.01	-92.09
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=C3C=CNC3=CC=C2)=C1	REAL300011414575	1	38	-2.0	-103.27	356.77	5.62	-97.65
COCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011414747	1	31	-2.0	-95.00	292.76	1.85	-93.15
CC1CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC(C)O1	REAL300011415153	1	41	-2.0	-94.12	353.93	4.17	-89.95
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)=C1	REAL300011415282	1	37	-2.0	-93.17	338.47	5.30	-87.87
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CC(C3=CC=CC=C3)C2)=C1	REAL300011415453	1	41	-2.0	-97.27	369.38	7.38	-89.89
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CC(C3=CC=CC=C3)C2)=C1	REAL300011415525	1	38	-2.0	-96.46	346.63	6.80	-89.66
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CCCC(F)(F)C2)=C(F)C=C1F	REAL300011415832	1	37	-2.0	-100.80	336.71	5.26	-95.54
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCC(F)(F)C2)=C1	REAL300011415848	1	37	-2.0	-96.34	338.45	5.31	-91.03
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CC2C2=CC=CC(F)=C2)=C1	REAL300011415927	1	35	-2.0	-97.10	336.76	6.54	-90.56
CC1CCCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1C	REAL300011416009	1	43	-2.0	-96.76	354.93	5.90	-90.86
CCC1=CC=NC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=C1	REAL300011416178	1	33	-2.0	-100.89	334.53	3.38	-97.51
COC(=O)N1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011416216	1	39	-2.0	-94.35	349.91	3.23	-91.12
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CN=N2)=C1	REAL300011416380	1	29	-2.0	-100.79	294.03	1.91	-98.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@H]2C[C@H](C3=CC=CC(F)=C3)C2)=C1	REAL300011416523	1	38	-2.0	-94.80	353.06	6.87	-87.93
CSC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCC1	REAL300011416623	1	35	-2.0	-95.87	333.58	4.98	-90.89
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CCOC1	REAL300011416796	1	35	-2.0	-91.93	313.37	2.95	-88.98
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2(F)CCC2)=C(F)C=C1F	REAL300011417062	1	31	-2.0	-99.78	297.08	3.90	-95.88
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]CC2(F)CCC2)=C1	REAL300011417065	1	31	-2.0	-97.41	315.14	4.86	-92.55
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]CC2(F)CCC2)S1	REAL300011417066	1	28	-2.0	-94.48	299.40	3.54	-90.94
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(F)CCC2)=C1	REAL300011417085	1	31	-2.0	-96.36	298.65	3.94	-92.42
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2(F)CCC2)=C(Br)O1	REAL300011417130	1	28	-2.0	-95.27	291.23	2.92	-92.35
CCOC1=CC=CC([C@@H]2C[C@H]2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300011417162	1	42	-2.0	-98.56	383.56	6.49	-92.07
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CC3=CC=CC=C32)=C1	REAL300011417475	1	32	-2.0	-98.23	309.08	5.42	-92.81
CCOC1=CC=C([C@@H]2C[C@H]2[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300011417735	1	42	-2.0	-96.09	383.56	6.49	-89.60
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@@H]2C[C@H]2C2=CC=CC(Cl)=C2)=C1	REAL300011417785	1	35	-2.0	-94.74	348.95	6.78	-87.96
CC(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1	REAL300011417888	1	40	-2.0	-95.65	361.44	6.73	-88.92
C[C@H](CC1CCCCC1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011417970	1	43	-2.0	-96.41	361.45	6.70	-89.71
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@@H]2C[C@H]2C2=CC=C(Cl)C=C2)=C1	REAL300011418242	1	35	-2.0	-92.95	348.93	6.79	-86.16
CSC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011418367	1	32	-2.0	-95.03	319.13	4.61	-90.42
CCOC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1	REAL300011418830	1	41	-2.0	-97.98	375.62	5.96	-92.02
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2(F)CCCCC2)=C(F)C=C1F	REAL300011418887	1	37	-2.0	-100.41	329.71	5.20	-95.21
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]CC2(F)CCCCC2)=C1	REAL300011418890	1	37	-2.0	-96.68	347.93	6.15	-90.53
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(F)CCCCC2)=C1	REAL300011418907	1	37	-2.0	-96.27	331.44	5.25	-91.02
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2(F)CCCCC2)=C(Br)O1	REAL300011418953	1	34	-2.0	-95.70	323.90	4.21	-91.49
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@@H]2C[C@H]2C2=C(F)C=CC=C2F)=C1	REAL300011418988	1	35	-2.0	-102.29	340.30	6.25	-96.04
COC1=CC=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)N=C1	REAL300011419100	1	31	-2.0	-98.92	321.16	1.21	-97.71
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@H]2C[C@H](C3=CC=CC=C3F)C2)=C1	REAL300011419134	1	38	-2.0	-99.86	352.07	6.82	-93.04
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@H]2C[C@H](C3=CC=CC=C3)C2)=C1	REAL300011419205	1	38	-2.0	-96.58	346.93	6.79	-89.79
C=C(C)C1OCCC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011419288	1	39	-2.0	-94.01	345.82	3.75	-90.26
CSC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300011419364	1	38	-2.0	-95.42	365.88	6.62	-88.80
CC1(C2=CC=CC=C2)CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011419481	1	41	-2.0	-95.36	364.15	7.62	-87.74
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)=C1	REAL300011419629	1	41	-2.0	-91.55	370.64	3.00	-88.55
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C=C1	REAL300011419630	1	41	-2.0	-86.76	370.62	3.01	-83.75
CN1C=C(S(=O)(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C=C1C(=O)[O-]	REAL300011419631	1	42	-2.0	-96.41	377.74	2.34	-94.07
CC1=C(S(=O)(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C=C(C(=O)[O-])O1	REAL300011419632	0	41	-2.0	-96.65	363.70	1.74	-94.91
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CCC(F)(F)C2)=C(F)C=C1F	REAL300011419647	1	34	-2.0	-95.93	320.84	4.62	-91.31
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCC(F)(F)C2)=C1	REAL300011419667	1	34	-2.0	-93.26	322.88	4.65	-88.61
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CCC(F)(F)C2)=C(Br)O1	REAL300011419712	1	31	-2.0	-93.55	315.30	3.62	-89.93
N#CCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011419762	1	32	-2.0	-97.50	317.08	4.33	-93.17
CC1CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC(C)(C)C1	REAL300011419925	1	49	-2.0	-95.88	401.25	7.23	-88.65
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C(OC(F)F)C=N2)=C1	REAL300011420047	1	34	-2.0	-101.83	338.48	2.48	-99.35
CCN1C=CC=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1=O	REAL300011420226	1	37	-2.0	-118.20	349.85	4.54	-113.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C(CF)C2=CC=CC=C2)=C(F)C=C1F	REAL300011420296	1	34	-2.0	-103.23	320.27	5.93	-97.30
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C(CF)C2=CC=CC=C2)=C1	REAL300011420299	1	34	-2.0	-99.39	338.51	6.88	-92.51
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C(CF)C2=CC=CC=C2)=C1	REAL300011420314	0	34	-2.0	-98.58	322.05	5.96	-92.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C(CF)C2=CC=CC=C2)=C(Br)O1	REAL300011420356	1	31	-2.0	-97.95	314.51	4.94	-93.01
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC(F)=C(Cl)C=C2F)=C1	REAL300011420387	1	31	-2.0	-91.28	332.41	5.39	-85.89
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCC2=CC=CC(Cl)=C2)=C1	REAL300011420647	1	37	-2.0	-94.01	363.90	6.90	-87.11
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@H]2CCCC3=CC=C(F)C=C32)=C1	REAL300011420707	1	38	-2.0	-101.18	349.84	6.78	-94.40
CN1N=NC(C[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300011421011	1	33	-2.0	-95.15	321.31	0.80	-94.35
CN1N=NC(C[N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=N1	REAL300011421012	1	39	-2.0	-94.87	363.77	1.71	-93.16
CN1N=NC(C[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300011421013	1	33	-2.0	-94.06	331.12	1.28	-92.78
CN1N=NC(C[N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)=N1	REAL300011421014	1	39	-2.0	-94.40	373.57	2.19	-92.21
CN1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=N1	REAL300011421017	0	29	-2.0	-102.83	294.02	0.54	-102.29
CN1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300011421018	1	29	-2.0	-102.34	301.61	1.07	-101.27
CN1N=NC(C[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300011421019	1	29	-2.0	-98.38	311.70	1.30	-97.08
CN1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300011421020	0	29	-2.0	-99.30	312.24	1.50	-97.80
CN1N=NC(C[N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=N1	REAL300011421021	0	26	-2.0	-96.33	296.60	0.18	-96.15
CN1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300011421026	1	29	-2.0	-96.25	289.48	0.53	-95.72
CN1N=NC(C[N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300011421027	1	29	-2.0	-102.94	305.31	1.07	-101.87
CN1N=NC(C[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300011421028	1	29	-2.0	-101.02	290.42	0.52	-100.50
CN1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300011421030	1	29	-2.0	-94.93	297.07	1.04	-93.89
CN1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=N1	REAL300011421031	1	29	-2.0	-94.64	300.42	1.21	-93.43
CN1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300011421032	1	29	-2.0	-96.76	288.55	0.49	-96.27
CN1N=NC(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300011421035	1	29	-2.0	-99.38	304.73	0.99	-98.39
CN1N=NC(C[N-]S(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300011421036	1	29	-2.0	-96.91	302.38	0.90	-96.01
CN1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011421040	0	29	-2.0	-98.19	295.77	0.58	-97.61
CN1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300011421042	1	31	-2.0	-95.11	312.20	1.12	-93.99
CN1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)=N1	REAL300011421043	1	29	-2.0	-102.06	304.95	1.24	-100.82
CN1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=N1	REAL300011421045	1	29	-2.0	-94.35	300.26	0.95	-93.40
CN1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300011421055	1	29	-2.0	-105.29	297.09	1.06	-104.23
CN1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=N1	REAL300011421056	1	29	-2.0	-101.08	309.59	1.43	-99.65
CN1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=N1	REAL300011421063	1	29	-2.0	-104.83	300.44	1.21	-103.62
CN1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300011421066	1	29	-2.0	-106.30	289.50	0.52	-105.78
CN1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300011421068	1	26	-2.0	-104.33	277.20	-0.51	-104.84
CN1N=NC(C[N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=N1	REAL300011421082	0	26	-2.0	-101.11	294.20	0.24	-100.87
CN1N=NC(C[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300011421084	1	26	-2.0	-104.25	275.67	-0.50	-104.75
CN1N=NC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=N1	REAL300011421088	0	26	-2.0	-98.23	288.21	-0.44	-98.67
CN1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=N1	REAL300011421091	1	33	-2.0	-96.18	328.72	0.77	-95.41
CN1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011421094	0	31	-2.0	-94.68	305.05	2.12	-92.56
CN1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300011421096	1	26	-2.0	-98.38	276.29	-0.41	-98.79
CN1N=NC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300011421098	1	31	-2.0	-106.80	310.59	1.54	-105.26
CN1N=NC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011421101	0	31	-2.0	-114.86	307.75	2.35	-112.51
CN1N=NC(C[N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300011421102	1	38	-2.0	-107.39	333.52	3.04	-104.35
CN1N=NC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300011421104	1	29	-2.0	-112.16	287.67	0.48	-111.68
NC(=O)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1	REAL300011421238	1	35	-2.0	-103.48	340.73	1.70	-101.78
NC(=O)C([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300011421282	1	37	-2.0	-99.62	347.40	3.18	-96.44
NC(=O)C([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C1=CC=CC=C1	REAL300011421289	1	37	-2.0	-118.65	352.68	3.46	-115.19
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(N3CCOCC3)CC2)=C1	REAL300011421507	1	41	-2.0	-95.84	356.96	1.88	-93.96
CC(=O)N1CCCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011421606	1	41	-2.0	-108.88	361.15	3.90	-104.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCC2=CC=CC=C2F)=C1	REAL300011421680	1	37	-2.0	-98.81	352.73	6.42	-92.39
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=C(F)C=C(F)C(F)=C2F)=C1	REAL300011421748	1	31	-2.0	-92.36	327.37	4.97	-87.39
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NC=NN2C2=CC=CC=C2)=C1	REAL300011421823	1	37	-2.0	-97.65	354.63	6.56	-91.09
CC1=CC=CC(OCCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1C	REAL300011421959	1	44	-2.0	-95.69	392.71	6.48	-89.21
CCOCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(C)C	REAL300011422022	1	40	-2.0	-96.39	346.48	4.54	-91.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C(CC(F)(F)F)C2CC2)=C(F)C=C1F	REAL300011422138	1	34	-2.0	-99.73	326.31	5.57	-94.16
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C(CC(F)(F)F)C2CC2)=C1	REAL300011422154	0	34	-2.0	-94.77	327.66	5.64	-89.13
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C(CC(F)(F)F)C2CC2)=C1[N+](=O)[O-]	REAL300011422203	1	36	-2.0	-107.55	338.82	7.39	-100.16
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NC=NN2C2=CC=CC=C2)=C1	REAL300011422334	1	37	-2.0	-97.65	354.63	6.56	-91.09
CC1=CC=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011422713	1	36	-2.0	-101.99	341.47	4.42	-97.57
COC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCC(C)CC1	REAL300011422881	1	44	-2.0	-97.29	371.33	4.72	-92.57
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCSC2)=C1	REAL300011423136	1	29	-2.0	-91.54	288.92	3.61	-87.93
CC1CCC(C)(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011423325	1	43	-2.0	-96.14	359.81	6.22	-89.92
C[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CCCC2=CC=CC=C21	REAL300011423413	1	44	-2.0	-96.98	374.21	8.00	-88.98
CC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011423479	1	34	-2.0	-94.91	313.71	4.48	-90.43
CC1=CC=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(=O)N1C	REAL300011423574	1	37	-2.0	-116.49	345.61	4.03	-112.46
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@@H]2CCCC3=CC=C(F)C=C32)=C1	REAL300011423645	1	38	-2.0	-103.00	349.88	6.79	-96.21
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)NC(=O)OC(C)(C)C	REAL300011423964	1	44	-2.0	-94.99	391.02	2.61	-92.38
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC3=CC=CN=C3C=C2)=C1	REAL300011424020	1	36	-2.0	-97.78	345.29	5.17	-92.61
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCC(C3=CC=CC(F)=C3)C2)=C1	REAL300011424135	1	41	-2.0	-99.44	367.24	7.53	-91.91
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCSC2)=C1	REAL300011424202	1	32	-2.0	-93.24	309.54	4.20	-89.04
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2CCC(F)CC2)S1	REAL300011425053	1	31	-2.0	-90.29	309.31	4.23	-86.06
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCC(F)CC2)=C1	REAL300011425072	1	34	-2.0	-97.10	306.88	4.59	-92.51
O=C([O-])C1=CC(S(=O)(=O)[N-]C2CCC(F)CC2)=C(Br)O1	REAL300011425122	1	31	-2.0	-96.59	299.31	3.56	-93.03
C#CCC(CC#C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011425256	1	31	-2.0	-95.27	317.89	5.20	-90.07
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCC(C3=CC=CC=C3)C2)=C1	REAL300011425431	1	44	-2.0	-96.88	375.63	8.29	-88.59
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2(O)CCC2)=C1	REAL300011425766	1	35	-2.0	-93.35	321.78	1.45	-91.90
CC1=NN=C(C(C)[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)N1	REAL300011425934	1	30	-2.0	-91.13	308.00	2.01	-89.12
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(C3=CC=CC=N3)CCC2)=C1	REAL300011425972	1	40	-2.0	-96.05	360.44	6.12	-89.93
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)=C(F)C=C1F	REAL300011426145	1	34	-2.0	-97.74	323.41	5.04	-92.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)=C1	REAL300011426161	0	34	-2.0	-93.65	325.16	5.08	-88.57
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)=C1[N+](=O)[O-]	REAL300011426210	1	36	-2.0	-113.05	331.29	6.64	-106.41
CS(=O)(=O)C1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCCC1	REAL300011426229	1	40	-2.0	-99.05	362.21	2.20	-96.85
COC(=O)N1CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011426345	1	42	-2.0	-95.43	375.18	3.85	-91.58
CC(C)SCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011426533	1	34	-2.0	-94.23	328.73	4.55	-89.68
CC1COCCC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011426630	1	38	-2.0	-94.91	335.69	3.23	-91.68
CCN1C=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)C=N1	REAL300011426772	1	31	-2.0	-97.05	320.95	2.44	-94.61
N#CC1=NN(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300011426824	1	31	-2.0	-93.03	322.73	3.67	-89.36
N#CCNC(=O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011427113	1	29	-2.0	-95.13	303.68	0.01	-95.12
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(Cl)C=C2)C(F)=C1	REAL300011427449	1	34	-2.0	-92.93	346.22	6.16	-86.77
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(Cl)C=C2)=C1	REAL300011427456	1	34	-2.0	-102.14	346.21	6.15	-95.99
O=C([O-])C1=CSC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(Cl)C=C2)=C1	REAL300011427458	1	31	-2.0	-100.08	333.92	5.12	-94.96
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]CC(F)(F)C2=CC=C(Cl)C=C2)=C1F	REAL300011427470	1	34	-2.0	-110.20	344.40	6.12	-104.08
CC1=CC=CC(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011427543	1	39	-2.0	-100.70	362.96	5.22	-95.48
C=CCCCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011427629	1	40	-2.0	-93.73	364.56	6.27	-87.46
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)=C(F)C=C1F	REAL300011427703	1	31	-2.0	-97.76	307.84	4.74	-93.02
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)=C1	REAL300011427706	1	31	-2.0	-94.08	326.05	5.70	-88.38
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)=C1	REAL300011427721	0	31	-2.0	-93.56	309.59	4.78	-88.78
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)=C(Cl)C=C1Cl	REAL300011427733	1	31	-2.0	-95.70	323.40	5.63	-90.07
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)=C(Br)O1	REAL300011427763	1	28	-2.0	-93.55	301.99	3.75	-89.80
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)=C1[N+](=O)[O-]	REAL300011427775	1	33	-2.0	-112.57	316.22	6.37	-106.20
CC1CSCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011428042	1	32	-2.0	-91.95	306.27	4.22	-87.73
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=C3C=CC=CN3N=C2)=C1	REAL300011428697	1	34	-2.0	-102.43	331.91	4.61	-97.82
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2(O)CCOCC2)=C1	REAL300011428779	1	39	-2.0	-93.15	343.30	0.27	-92.88
C#CCC(CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011429080	1	39	-2.0	-95.31	369.81	7.76	-87.55
CO[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011429753	1	32	-2.0	-95.02	305.07	2.21	-92.81
CSSCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011429843	1	29	-2.0	-92.70	310.84	4.63	-88.07
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=N1	REAL300011429990	1	35	-2.0	-95.53	325.14	1.93	-93.60
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300011429991	1	35	-2.0	-94.91	332.76	2.44	-92.47
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300011429993	1	35	-2.0	-91.97	343.39	2.87	-89.10
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300011429998	1	35	-2.0	-90.17	320.64	1.91	-88.26
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300011430006	1	38	-2.0	-100.24	340.92	2.54	-97.70
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011430008	0	35	-2.0	-91.20	326.92	1.97	-89.23
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300011430010	1	37	-2.0	-88.10	343.36	2.50	-85.60
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300011430013	1	38	-2.0	-99.75	336.64	2.43	-97.32
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=N1	REAL300011430014	1	38	-2.0	-99.43	346.95	2.98	-96.45
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300011430019	1	35	-2.0	-97.58	328.24	2.42	-95.16
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=N1	REAL300011430020	1	35	-2.0	-93.64	340.74	2.80	-90.84
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300011430030	1	35	-2.0	-98.72	320.65	1.90	-96.82
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300011430049	1	35	-2.0	-96.77	318.18	0.98	-95.79
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=N1	REAL300011430050	0	32	-2.0	-91.65	319.36	0.95	-90.70
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])=N1	REAL300011430051	1	38	-2.0	-118.68	331.17	2.23	-116.45
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011430055	0	37	-2.0	-88.46	332.51	3.32	-85.14
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011430062	0	37	-2.0	-109.39	338.90	3.67	-105.72
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300011430063	1	44	-2.0	-99.20	362.09	4.19	-95.01
CC1=NOC(C(C)(C)[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300011430065	1	35	-2.0	-106.66	318.78	1.87	-104.79
COC(=O)C1=CN(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)N=N1	REAL300011430248	1	36	-2.0	-94.15	358.41	2.03	-92.12
C=CCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCCC1	REAL300011430438	1	41	-2.0	-95.53	345.33	6.43	-89.10
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC3=CC=CC=C3N2)=C1	REAL300011430522	1	35	-2.0	-95.39	336.05	4.74	-90.65
CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011430660	1	34	-2.0	-94.88	318.70	4.83	-90.05
CC1=CC=CN=C1CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011430742	1	39	-2.0	-98.40	358.30	5.03	-93.37
CCCC1=NC=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)O1	REAL300011430891	1	36	-2.0	-98.73	342.81	1.87	-96.86
CCCC1=NC=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)O1	REAL300011430894	1	36	-2.0	-95.17	361.02	2.84	-92.33
CCCC1=NC=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)O1	REAL300011430909	1	36	-2.0	-94.12	344.56	1.91	-92.21
CCCC1=NC=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)O1	REAL300011430951	1	33	-2.0	-94.38	337.00	0.89	-93.49
CCCC1=NC=C(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])O1	REAL300011430952	1	39	-2.0	-122.70	348.77	2.24	-120.46
CCCC1=NC=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300011430956	1	38	-2.0	-91.13	353.84	3.46	-87.67
CCCC1=NC=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])O1	REAL300011430963	1	38	-2.0	-112.03	356.53	3.68	-108.35
COC(=O)NCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011431001	1	32	-2.0	-93.24	315.89	-0.43	-93.67
CC(C)(O)C(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011431222	1	40	-2.0	-97.33	338.78	1.76	-95.57
COC1=CC=CC([C@H]2C[C@H]([N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)C2)=C1	REAL300011431336	1	42	-2.0	-98.81	376.46	6.09	-92.72
COC(C(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CC1	REAL300011431583	1	38	-2.0	-93.80	340.13	3.95	-89.85
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCC2CCOC2)=C1	REAL300011431678	1	38	-2.0	-94.10	342.45	3.42	-90.68
CCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCOCC1	REAL300011431769	1	41	-2.0	-94.64	345.03	3.71	-90.93
CC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)CC1(Cl)Cl	REAL300011431832	1	34	-2.0	-96.37	343.70	5.46	-90.91
CC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1(Cl)Cl	REAL300011431843	1	34	-2.0	-92.17	345.49	5.50	-86.67
CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011431919	1	37	-2.0	-95.31	337.77	5.37	-89.94
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CC3=CC=CC=C3O2)=C1	REAL300011432055	1	36	-2.0	-101.42	339.62	4.78	-96.64
CC1=CC=C(F)C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300011432158	1	37	-2.0	-99.84	352.65	6.30	-93.54
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCN2CC3CCC(C2)O3)=C1	REAL300011432291	1	41	-2.0	-95.02	354.65	2.02	-93.00
C=CC(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011432606	1	34	-2.0	-93.85	313.04	4.39	-89.46
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CCC1	REAL300011432925	1	40	-2.0	-95.49	342.82	5.73	-89.76
C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011433108	1	33	-2.0	-91.91	308.36	2.76	-89.15
CCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)COC1	REAL300011433207	1	35	-2.0	-92.45	318.60	2.61	-89.84
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(CF)CCOCC2)=C1	REAL300011433296	1	38	-2.0	-97.13	334.26	3.53	-93.60
CCC1CCCC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011433383	1	40	-2.0	-97.15	343.87	5.52	-91.63
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)CC1(Cl)Cl	REAL300011433561	1	31	-2.0	-94.75	324.53	5.11	-89.64
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1(Cl)Cl	REAL300011433577	1	31	-2.0	-90.08	326.30	5.15	-84.93
CCOC(=O)COCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011433653	1	37	-2.0	-103.02	356.08	3.49	-99.53
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CCCC2(F)F)=C(F)C=C1F	REAL300011433719	1	34	-2.0	-105.23	317.86	4.67	-100.56
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCC2(F)F)=C1	REAL300011433739	1	34	-2.0	-100.54	319.61	4.71	-95.83
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CCCC2(F)F)=C(Br)O1	REAL300011433784	1	31	-2.0	-100.55	312.02	3.69	-96.86
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=N1	REAL300011434074	1	39	-2.0	-103.81	354.45	5.16	-98.65
CC1=CSC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=C1	REAL300011434275	1	28	-2.0	-94.99	308.47	3.55	-91.44
CN1C=C(Cl)C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=N1	REAL300011434300	1	31	-2.0	-106.95	321.88	2.97	-103.98
CN1C=C(Cl)C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300011434303	1	31	-2.0	-103.21	340.08	3.94	-99.27
CN1C=C(Cl)C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011434318	1	31	-2.0	-102.35	323.61	3.01	-99.34
CN1C=C(Cl)C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=N1	REAL300011434360	1	28	-2.0	-101.79	316.03	1.99	-99.80
CN1C=C(Cl)C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011434365	1	33	-2.0	-98.37	330.30	4.52	-93.85
CN1C=C(Cl)C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011434372	1	33	-2.0	-118.66	335.58	4.78	-113.88
COC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1	REAL300011434394	1	41	-2.0	-98.61	364.73	4.90	-93.71
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=NC(C(F)(F)F)=C2)=C1	REAL300011434456	1	33	-2.0	-89.68	338.77	4.06	-85.62
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C[C@H]2CCCO2)=C1	REAL300011434521	1	32	-2.0	-99.19	301.11	2.09	-97.10
CC1=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)SC=N1	REAL300011434606	1	33	-2.0	-94.50	329.18	3.32	-91.18
COC(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011434698	1	34	-2.0	-96.15	318.97	2.42	-93.73
CC(C)C1CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCO1	REAL300011434783	1	44	-2.0	-94.60	377.40	4.87	-89.73
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=CC(C(F)(F)F)=N2)=C1	REAL300011435055	1	33	-2.0	-99.67	338.85	4.00	-95.67
C=C(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011435416	1	31	-2.0	-93.89	300.18	3.80	-90.09
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NN(CC(F)F)C=C2)=C1	REAL300011435478	1	34	-2.0	-100.59	341.57	3.67	-96.92
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCOC3(CCC3)C2)=C1	REAL300011435822	1	42	-2.0	-94.96	364.16	4.67	-90.29
C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011435905	1	36	-2.0	-94.34	326.79	3.51	-90.83
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)CC1=CC=CC=C1	REAL300011435987	1	41	-2.0	-98.06	371.15	5.08	-92.98
CCC(C)C(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)OC	REAL300011436279	1	40	-2.0	-94.79	350.39	3.92	-90.87
COC1COCCC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011436648	1	39	-2.0	-96.94	350.11	1.85	-95.09
CCC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)OC	REAL300011436747	1	37	-2.0	-97.10	327.51	2.77	-94.33
CN1N=CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=N1	REAL300011436825	1	30	-2.0	-101.42	299.30	0.96	-100.46
CN1N=CC(C[N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=N1	REAL300011436829	1	27	-2.0	-94.92	301.86	0.60	-94.32
CN1N=CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011436848	1	30	-2.0	-96.77	301.04	1.00	-95.77
CN1N=CC(C[N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=N1	REAL300011436889	1	27	-2.0	-99.87	299.46	0.67	-99.20
CN1N=CC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=N1	REAL300011436895	1	27	-2.0	-97.05	293.45	-0.02	-97.07
CN1N=CC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011436901	1	32	-2.0	-93.76	307.72	2.52	-91.24
CN1N=CC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011436908	1	32	-2.0	-113.13	313.03	2.77	-110.36
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@H]2C[C@H](C3=CC=C(F)C=C3)C2)=C1	REAL300011437624	1	38	-2.0	-93.30	353.35	6.86	-86.44
CN1N=CC(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011437949	1	36	-2.0	-98.53	344.02	2.55	-95.98
C=CC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=C1	REAL300011438031	1	38	-2.0	-96.36	356.79	6.69	-89.67
COC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCCC1	REAL300011438277	1	38	-2.0	-96.99	335.22	3.24	-93.75
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CCCCC(F)(F)C2)=C(F)C=C1F	REAL300011438347	1	40	-2.0	-100.39	346.69	5.69	-94.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCCC(F)(F)C2)=C1	REAL300011438362	1	40	-2.0	-95.59	348.41	5.73	-89.86
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=COC3=CC=CC=C23)=C1	REAL300011438463	1	34	-2.0	-99.11	332.08	5.18	-93.93
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F)C(F)F	REAL300011438530	0	30	-2.0	-92.16	290.83	3.69	-88.47
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C(F)F	REAL300011438531	1	30	-2.0	-91.76	298.43	4.22	-87.54
CCC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1)C(F)F	REAL300011438532	1	30	-2.0	-89.63	308.52	4.45	-85.18
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)C(F)F	REAL300011438533	1	30	-2.0	-96.70	307.00	4.75	-91.95
CCC([N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C(F)F	REAL300011438534	0	27	-2.0	-86.44	293.26	3.31	-83.13
CCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C(F)F	REAL300011438539	1	30	-2.0	-94.08	284.23	3.79	-90.29
CCC([N-]S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C(F)F	REAL300011438549	1	30	-2.0	-88.14	299.21	4.04	-84.10
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1F)C(F)F	REAL300011438550	1	33	-2.0	-96.88	306.60	4.31	-92.57
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(F)F	REAL300011438553	0	30	-2.0	-87.70	292.60	3.73	-83.97
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br)C(F)F	REAL300011438556	1	30	-2.0	-99.23	299.71	4.49	-94.74
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C=C1F)C(F)F	REAL300011438562	1	33	-2.0	-96.37	302.32	4.21	-92.16
CCC([N-]S(=O)(=O)C1=CC(C)=CC(C(=O)[O-])=C1F)C(F)F	REAL300011438564	1	33	-2.0	-111.75	303.81	4.42	-107.33
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)C(F)F	REAL300011438569	1	30	-2.0	-90.47	306.41	4.57	-85.90
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(F)F	REAL300011438579	1	30	-2.0	-95.39	286.31	3.67	-91.72
CCC([N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C(F)F	REAL300011438593	1	27	-2.0	-98.60	288.99	3.51	-95.09
CCC([N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1)C(F)F	REAL300011438597	0	27	-2.0	-88.55	284.87	2.70	-85.85
CCC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C(F)F	REAL300011438603	1	32	-2.0	-84.42	299.30	5.17	-79.25
CCC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C(F)F	REAL300011438609	1	32	-2.0	-105.76	304.59	5.46	-100.30
CCC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C(F)F	REAL300011438612	1	30	-2.0	-102.90	284.49	3.63	-99.27
NC(=O)C([N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(F)=C1)C1=CC=CC=N1	REAL300011438618	1	38	-2.0	-105.05	361.80	0.16	-104.89
NC(=O)C([N-]S(=O)(=O)C1=CC=C(OCC(=O)[O-])C(Cl)=C1)C1=CC=CC=N1	REAL300011438619	1	38	-2.0	-103.96	371.61	0.64	-103.32
NC(=O)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F)C1=CC=CC=N1	REAL300011438621	1	34	-2.0	-112.52	334.49	-0.10	-112.62
NC(=O)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl)C1=CC=CC=N1	REAL300011438622	1	34	-2.0	-110.52	342.12	0.42	-110.10
NC(=O)C([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=CC=CC=N1	REAL300011438627	1	34	-2.0	-108.29	329.98	-0.11	-108.40
NC(=O)C([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C1=CC=CC=N1	REAL300011438628	1	34	-2.0	-112.99	330.91	-0.12	-113.11
NC(=O)C([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=CC=CC=N1	REAL300011438629	1	34	-2.0	-105.33	337.56	0.40	-104.93
NC(=O)C([N-]S(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)[O-])=C1)C1=CC=CC=N1	REAL300011438633	1	34	-2.0	-110.52	345.21	0.34	-110.18
NC(=O)C([N-]S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1)C1=CC=CC=N1	REAL300011438634	1	34	-2.0	-108.24	342.86	0.26	-107.98
NC(=O)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=N1	REAL300011438637	0	34	-2.0	-108.87	336.27	-0.06	-108.93
NC(=O)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=CC=CC=N1	REAL300011438639	1	36	-2.0	-105.31	352.70	0.48	-104.83
NC(=O)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C1=CC=CC=N1	REAL300011438647	1	34	-2.0	-113.97	337.58	0.41	-113.56
NC(=O)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C1=CC=CC=N1	REAL300011438657	1	34	-2.0	-116.32	329.99	-0.12	-116.44
NC(=O)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=CC=N1	REAL300011438659	1	31	-2.0	-114.54	317.70	-1.15	-115.69
NC(=O)C([N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=CC=N1	REAL300011438673	1	31	-2.0	-117.58	316.16	-1.14	-118.72
NC(=O)C([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C1=CC=CC=N1	REAL300011438681	0	36	-2.0	-105.55	343.07	1.40	-104.15
NC(=O)C([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=CC=N1	REAL300011438683	1	31	-2.0	-110.56	316.78	-1.05	-111.61
NC(=O)C([N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=N1	REAL300011438685	1	36	-2.0	-117.63	351.05	0.91	-116.72
NC(=O)C([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C1=CC=CC=N1	REAL300011438688	0	36	-2.0	-127.48	348.37	1.70	-125.78
NC(=O)C([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C1=CC=CC=N1	REAL300011438691	1	34	-2.0	-127.85	328.13	-0.16	-128.01
CC1=NC=CC(C(C)[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=N1	REAL300011438838	1	32	-2.0	-96.05	323.85	2.60	-93.45
CC1(C)CCCC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011438964	1	40	-2.0	-97.19	343.48	5.36	-91.83
CCC(COCC(F)(F)F)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011439094	1	37	-2.0	-93.96	359.39	3.98	-89.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CSC3=CC=CC=C32)=C1	REAL300011439150	1	36	-2.0	-96.48	347.76	6.41	-90.07
CCC=CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011439224	1	31	-2.0	-94.24	299.83	3.98	-90.26
COCC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCC1	REAL300011439451	1	41	-2.0	-98.23	362.70	4.10	-94.13
CC(F)CC[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300011439524	1	27	-2.0	-92.50	293.93	3.02	-89.48
CC(F)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011439538	1	30	-2.0	-94.81	293.11	3.42	-91.39
CC(F)CC[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011439578	1	27	-2.0	-93.98	285.54	2.39	-91.59
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(N)=O	REAL300011439766	1	31	-2.0	-100.77	302.71	-0.53	-101.30
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC(F)=CN=C2Cl)=C1	REAL300011439850	1	30	-2.0	-91.64	320.04	3.45	-88.19
CCCC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)OC	REAL300011439932	1	37	-2.0	-93.84	337.15	3.54	-90.30
COC1=CC=NC=C1C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011440431	1	31	-2.0	-99.10	320.28	1.36	-97.74
CSCC1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011440558	1	41	-2.0	-98.08	365.63	6.31	-91.77
COC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CC1	REAL300011440639	1	38	-2.0	-92.72	334.71	4.48	-88.24
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC3=CC=CC=C3S2)=C1	REAL300011440724	1	34	-2.0	-98.16	341.55	6.34	-91.82
CC1=CC=NC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=C1	REAL300011441111	1	30	-2.0	-100.80	313.05	2.62	-98.18
CC(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F	REAL300011441139	0	27	-2.0	-98.75	276.47	2.73	-96.02
CC(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Cl	REAL300011441140	1	27	-2.0	-97.97	284.08	3.26	-94.71
CC(F)(F)C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C(C(=O)[O-])=C1	REAL300011441141	1	27	-2.0	-95.66	294.17	3.49	-92.17
CC(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300011441142	1	27	-2.0	-95.19	294.71	3.68	-91.51
CC(F)(F)C[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300011441143	0	24	-2.0	-92.87	279.07	2.37	-90.50
CC(F)(F)C[N-]S(=O)(=O)C1=CC(F)=C(Cl)C(C(=O)[O-])=C1	REAL300011441153	1	27	-2.0	-94.17	284.85	3.09	-91.08
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]CC(C)(F)F)=C1F	REAL300011441154	1	30	-2.0	-103.71	292.25	3.35	-100.36
CC(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011441157	0	27	-2.0	-94.38	278.25	2.77	-91.61
CC(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1Br	REAL300011441160	1	27	-2.0	-97.68	287.43	3.42	-94.26
CC1=CC(F)=C(S(=O)(=O)[N-]CC(C)(F)F)C=C1C(=O)[O-]	REAL300011441167	1	30	-2.0	-103.26	287.97	3.24	-100.02
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]CC(C)(F)F)=C1	REAL300011441169	1	30	-2.0	-111.03	291.53	3.34	-107.69
CC(F)(F)C[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C(C(=O)[O-])=C1	REAL300011441173	1	27	-2.0	-96.16	298.38	3.60	-92.56
CC(F)(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl	REAL300011441175	1	27	-2.0	-96.87	292.07	3.61	-93.26
CC(F)(F)C[N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1	REAL300011441195	1	24	-2.0	-96.87	276.71	2.43	-94.44
CC(F)(F)C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011441197	0	24	-2.0	-94.29	270.69	1.74	-92.55
CC(F)(F)C[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011441201	1	29	-2.0	-91.59	284.95	4.24	-87.35
CC(F)(F)C[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300011441205	1	29	-2.0	-112.83	290.24	4.53	-108.30
C=CCC(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011441241	1	37	-2.0	-94.24	333.54	5.09	-89.15
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC(C3CC3)=CC=C2F)=C1	REAL300011441425	1	38	-2.0	-101.14	359.05	6.92	-94.22
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCC2C2=CC=CC=C2)=C1	REAL300011441487	1	44	-2.0	-98.55	379.30	7.58	-90.97
CCOC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCCC1	REAL300011441623	1	41	-2.0	-97.84	357.39	4.20	-93.64
CC(C)(C)C(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011441712	1	42	-2.0	-96.05	345.07	5.10	-90.95
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCSC2)=C1	REAL300011441985	1	32	-2.0	-94.64	302.20	4.29	-90.35
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NN(C3=CC=CC=C3)C=N2)=C1	REAL300011442280	1	37	-2.0	-107.26	358.04	6.46	-100.80
CC(F)(F)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F	REAL300011442394	1	33	-2.0	-100.29	318.09	4.23	-96.06
CC(F)(F)CCC[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300011442398	1	30	-2.0	-94.14	320.69	3.87	-90.27
CC(F)(F)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011442415	1	33	-2.0	-95.78	319.87	4.27	-91.51
CC(F)(F)CCC[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011442462	1	30	-2.0	-95.74	312.30	3.24	-92.50
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CC1	REAL300011442875	1	35	-2.0	-94.32	324.34	3.67	-90.65
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]CCCCF)S1	REAL300011442955	1	27	-2.0	-90.38	294.66	3.10	-87.28
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCCF)=C1	REAL300011442969	1	30	-2.0	-92.39	293.84	3.50	-88.89
O=C([O-])C1=CC(S(=O)(=O)[N-]CCCCF)=C(Br)O1	REAL300011443009	1	27	-2.0	-92.34	286.28	2.47	-89.87
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC(C2=CC=CC=C2)C2CC2)=C1	REAL300011443090	1	41	-2.0	-97.31	375.23	7.60	-89.71
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CCCCC2(F)F)=C(F)C=C1F	REAL300011443245	1	37	-2.0	-106.17	333.70	5.43	-100.74
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCCC2(F)F)=C1	REAL300011443261	1	37	-2.0	-101.30	335.44	5.47	-95.83
CC1=CC=C(C2(C[N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)CC2)C(C)=C1	REAL300011443331	1	44	-2.0	-96.04	389.20	7.98	-88.06
CCC1=NC(C)=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)O1	REAL300011443615	1	36	-2.0	-95.74	343.70	1.70	-94.04
CCC1=NC(C)=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)O1	REAL300011443657	1	33	-2.0	-95.89	336.13	0.67	-95.22
CCC1=NC(C)=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300011443662	1	38	-2.0	-92.16	351.56	3.18	-88.98
CCC1=NC(C)=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])O1	REAL300011443669	1	38	-2.0	-113.01	355.67	3.46	-109.55
CC1=CC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CC=C1Cl	REAL300011443691	1	37	-2.0	-93.19	361.14	6.69	-86.50
CC1=NC=CN=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011443761	1	35	-2.0	-98.20	332.64	2.39	-95.81
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NOC(C3=CC=CC=C3)=C2)=C1	REAL300011444021	1	37	-2.0	-100.12	359.13	5.89	-94.23
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2(O)CC3CCC2C3)=C1	REAL300011444288	1	42	-2.0	-94.91	355.55	3.09	-91.82
CC(C)(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CC1	REAL300011444409	1	40	-2.0	-95.45	344.69	5.49	-89.96
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC=CC2CC2)=C1	REAL300011444525	1	32	-2.0	-94.53	310.75	4.79	-89.74
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCC2CCOCC2)=C1	REAL300011444604	1	41	-2.0	-94.49	359.09	4.16	-90.33
CC(C1=CC=CC=C1)C([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(N)=O	REAL300011444677	1	41	-2.0	-102.81	375.52	2.95	-99.86
COC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCC1	REAL300011444834	1	38	-2.0	-97.31	341.15	3.44	-93.87
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=CC3=CC=CC=C3S2)=C1	REAL300011444913	1	37	-2.0	-97.63	363.06	7.12	-90.51
CC(F)(F)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F	REAL300011444957	1	30	-2.0	-99.97	296.59	3.43	-96.54
CC(F)(F)CC[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300011444961	1	27	-2.0	-93.05	299.19	3.07	-89.98
CC(F)(F)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011444980	1	30	-2.0	-95.20	298.37	3.48	-91.72
CC(F)(F)CC[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011445024	1	27	-2.0	-94.99	290.80	2.44	-92.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCC3=C(F)C=CC=C32)=C1	REAL300011445165	1	38	-2.0	-94.65	348.86	6.75	-87.90
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CCCCC2)=C1	REAL300011445246	1	35	-2.0	-96.67	320.05	5.03	-91.64
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2CCC3=CC=CC=C32)=C1	REAL300011445355	1	41	-2.0	-99.00	366.28	7.26	-91.74
CCC1CCCCC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011445437	1	43	-2.0	-97.25	362.35	6.27	-90.98
CCC(CC)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)OC	REAL300011445550	1	40	-2.0	-96.65	341.82	3.30	-93.35
CC1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)SN=N1	REAL300011445623	1	29	-2.0	-92.45	301.58	1.92	-90.53
CC1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)SN=N1	REAL300011445624	1	29	-2.0	-92.01	308.29	2.41	-89.60
CC1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)SN=N1	REAL300011445626	1	29	-2.0	-89.02	319.81	2.88	-86.14
CC1=C(C[N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)SN=N1	REAL300011445627	1	26	-2.0	-87.10	304.16	1.56	-85.54
CC1=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)SN=N1	REAL300011445632	1	29	-2.0	-86.96	297.04	1.91	-85.05
CC1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)SN=N1	REAL300011445644	1	29	-2.0	-87.89	303.33	1.96	-85.93
CC1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)SN=N1	REAL300011445646	1	31	-2.0	-84.95	319.77	2.51	-82.44
CC1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)SN=N1	REAL300011445657	1	29	-2.0	-90.75	317.15	2.81	-87.94
CC1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)SN=N1	REAL300011445669	1	29	-2.0	-95.33	296.17	1.87	-93.46
CC1=C(C[N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)SN=N1	REAL300011445685	1	26	-2.0	-90.87	300.87	1.59	-89.28
CC1=C(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)SN=N1	REAL300011445690	1	29	-2.0	-94.02	293.70	0.95	-93.07
CC1=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)SN=N1	REAL300011445691	0	26	-2.0	-88.63	294.88	0.91	-87.72
CC1=C(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])SN=N1	REAL300011445692	1	32	-2.0	-115.05	307.57	2.28	-112.77
CC1=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])SN=N1	REAL300011445697	1	31	-2.0	-85.32	311.19	3.45	-81.87
CC1=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])SN=N1	REAL300011445704	1	31	-2.0	-104.85	314.42	3.70	-101.15
CC1=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)SN=N1	REAL300011445707	1	29	-2.0	-102.40	294.31	1.83	-100.57
COCC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CS1	REAL300011445888	1	34	-2.0	-101.80	344.39	1.56	-100.24
COCC1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=CS1	REAL300011445929	1	36	-2.0	-97.01	353.66	3.09	-93.92
COCC1=NC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=CS1	REAL300011445936	1	36	-2.0	-117.33	356.37	3.33	-114.00
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CCCOC2)=C1	REAL300011446158	1	33	-2.0	-95.77	311.15	2.61	-93.16
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCC(C[N-]C(=O)C(F)(F)F)C2)=C1	REAL300011446262	1	41	-2.0	-91.16	371.12	2.96	-88.20
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C[N-]C(=O)C(F)(F)F)C2)C=C1	REAL300011446263	1	41	-2.0	-87.98	370.64	3.01	-84.97
CN1C=C(S(=O)(=O)N2CCCC(C[N-]C(=O)C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300011446264	1	42	-2.0	-97.43	377.26	2.36	-95.07
CC1=C(S(=O)(=O)N2CCCC(C[N-]C(=O)C(F)(F)F)C2)C=C(C(=O)[O-])O1	REAL300011446265	1	41	-2.0	-88.75	368.78	1.95	-86.80
COC1=CC=CC(C2(C[N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)CC2)=C1	REAL300011446278	1	42	-2.0	-99.23	384.17	6.11	-93.12
CN1N=NC=C1C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011446925	1	27	-2.0	-89.74	291.36	0.15	-89.59
CCC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)OC	REAL300011447073	1	34	-2.0	-93.69	315.65	2.76	-90.93
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)S1	REAL300011447144	1	32	-2.0	-99.39	325.09	2.32	-97.07
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)S1	REAL300011447145	1	32	-2.0	-98.38	332.68	2.85	-95.53
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)S1	REAL300011447147	1	32	-2.0	-95.71	343.31	3.28	-92.43
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300011447152	1	32	-2.0	-95.43	320.55	2.31	-93.12
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)S1	REAL300011447154	1	32	-2.0	-93.53	328.14	2.83	-90.70
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)S1	REAL300011447158	1	32	-2.0	-100.47	335.80	2.77	-97.70
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)S1	REAL300011447159	1	32	-2.0	-97.85	333.45	2.68	-95.17
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)S1	REAL300011447160	1	35	-2.0	-104.26	340.86	2.94	-101.32
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)S1	REAL300011447162	0	32	-2.0	-95.39	326.84	2.36	-93.03
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)S1	REAL300011447164	1	34	-2.0	-94.34	343.28	2.90	-91.44
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(OC)=C(C(=O)[O-])C=C2Cl)S1	REAL300011447165	1	36	-2.0	-98.33	355.40	2.89	-95.44
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)S1	REAL300011447167	1	35	-2.0	-103.78	336.57	2.83	-100.95
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)S1	REAL300011447168	1	35	-2.0	-103.09	346.83	3.40	-99.69
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C)=CC(C(=O)[O-])=C2F)S1	REAL300011447169	1	35	-2.0	-115.12	340.10	2.93	-112.19
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)S1	REAL300011447173	1	32	-2.0	-101.30	328.16	2.84	-98.46
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)S1	REAL300011447174	1	32	-2.0	-97.24	340.66	3.21	-94.03
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300011447184	1	32	-2.0	-102.80	320.57	2.30	-100.50
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)S1	REAL300011447186	1	29	-2.0	-100.19	308.27	1.27	-98.92
CCC1=NN=C(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)S1	REAL300011447203	1	32	-2.0	-99.88	318.10	1.38	-98.50
CCC1=NN=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)S1	REAL300011447204	0	29	-2.0	-94.94	319.28	1.33	-93.61
CCC1=NN=C(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])S1	REAL300011447205	1	35	-2.0	-129.33	331.05	2.69	-126.64
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(OC)C=C2Cl)S1	REAL300011447206	1	36	-2.0	-106.86	355.42	2.89	-103.97
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300011447209	0	34	-2.0	-92.05	333.53	3.87	-88.18
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)S1	REAL300011447213	1	34	-2.0	-108.91	341.67	3.32	-105.59
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])S1	REAL300011447216	0	34	-2.0	-117.76	338.83	4.12	-113.64
CCC1=NN=C(C[N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)S1	REAL300011447217	1	41	-2.0	-101.94	364.59	4.82	-97.12
CCC1=NN=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300011447219	1	32	-2.0	-114.33	318.70	2.26	-112.07
CCC1=NN=C(C[N-]S(=O)(=O)C2=C(CC)OC(C(=O)[O-])=C2)S1	REAL300011447222	1	35	-2.0	-99.45	337.22	2.35	-97.10
CC1=CC=C(C(C)(C)C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1	REAL300011447235	1	46	-2.0	-99.83	388.13	7.53	-92.30
COCC(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011447302	1	37	-2.0	-93.19	335.99	3.19	-90.00
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCS(=O)(=O)C2)=C1	REAL300011447523	1	37	-2.0	-98.55	345.95	1.26	-97.29
C=CCCCCCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011447593	1	46	-2.0	-94.00	407.56	7.83	-86.17
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCCCC1	REAL300011447676	1	40	-2.0	-96.23	338.98	5.61	-90.62
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCSC2)=C1	REAL300011447770	1	35	-2.0	-94.76	327.40	4.92	-89.84
CC1=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)OC=C1	REAL300011447913	1	28	-2.0	-96.64	297.88	2.53	-94.11
CC1=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])OC=C1	REAL300011447919	1	33	-2.0	-93.27	312.15	5.06	-88.21
CCCC1=NC(C)=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)O1	REAL300011448178	1	39	-2.0	-95.45	365.19	2.46	-92.99
CCCC1=NC(C)=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300011448220	1	41	-2.0	-92.70	371.87	3.98	-88.72
CCCC1=NC(C)=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])O1	REAL300011448227	1	41	-2.0	-112.74	377.18	4.23	-108.51
NC(=O)N1CCCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011448321	1	40	-2.0	-108.07	355.10	1.41	-106.66
COCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCCCC1	REAL300011448490	1	44	-2.0	-100.01	369.11	5.27	-94.74
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCC3=C2C=C(Cl)S3)=C1	REAL300011448599	1	32	-2.0	-94.37	329.55	5.81	-88.56
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(N)=O	REAL300011448668	1	34	-2.0	-102.00	312.21	1.06	-100.94
CC1OC2=CC=CC=C2C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F	REAL300011448743	1	36	-2.0	-102.27	331.55	4.78	-97.49
CC1OC2=CC=CC=C2C1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011448759	1	36	-2.0	-95.64	337.06	5.01	-90.63
CC1OC2=CC=CC=C2C1[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011448803	1	38	-2.0	-90.65	339.91	6.25	-84.40
CC1OC2=CC=CC=C2C1[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300011448810	1	38	-2.0	-114.46	345.27	6.54	-107.92
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CC(F)(F)C2)=C(F)C=C1F	REAL300011448825	1	31	-2.0	-94.88	303.99	4.01	-90.87
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]CC2CC(F)(F)C2)S1	REAL300011448829	1	28	-2.0	-88.75	306.56	3.65	-85.10
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CC(F)(F)C2)=C1	REAL300011448848	1	31	-2.0	-90.18	305.74	4.06	-86.12
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CC(F)(F)C2)=C(Br)O1	REAL300011448897	1	28	-2.0	-90.70	298.18	3.03	-87.67
COCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCOCC1	REAL300011448936	1	42	-2.0	-97.33	360.73	2.90	-94.43
CCOCC(C)(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011449016	1	40	-2.0	-93.30	357.84	4.16	-89.14
CC1=NN=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)S1	REAL300011449451	1	32	-2.0	-98.08	326.86	2.37	-95.71
CC(C)(CCC#N)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011449540	1	37	-2.0	-96.42	339.46	4.98	-91.44
N#CC1=CC=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)N=C1	REAL300011449679	1	28	-2.0	-94.60	312.44	2.36	-92.24
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2COC3=CC=CC=C32)=C1	REAL300011449897	1	36	-2.0	-97.78	339.09	4.61	-93.17
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]CCC2(F)CCC2)S1	REAL300011449967	1	31	-2.0	-94.00	320.45	4.26	-89.74
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2(F)CCC2)=C1	REAL300011449986	1	34	-2.0	-96.03	319.62	4.67	-91.36
O=C([O-])C1=CC(S(=O)(=O)[N-]CCC2(F)CCC2)=C(Br)O1	REAL300011450036	1	31	-2.0	-96.24	312.10	3.64	-92.60
CC(CC(F)F)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F	REAL300011450071	1	30	-2.0	-97.19	290.80	3.91	-93.28
CC(CC(F)F)[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300011450075	1	27	-2.0	-87.59	294.29	3.38	-84.21
CC(CC(F)F)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011450094	1	30	-2.0	-92.25	292.57	3.94	-88.31
CC(CC(F)F)[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011450138	1	27	-2.0	-93.33	285.01	2.92	-90.41
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NOC3=C2CCCC3)=C1	REAL300011450177	1	37	-2.0	-101.19	342.55	4.85	-96.34
COCC(C)(C)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011450281	1	43	-2.0	-94.36	374.08	4.26	-90.10
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2)=C(F)C=C1F	REAL300011450441	0	34	-2.0	-103.25	334.01	5.65	-97.60
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2)=C(Cl)C=C1F	REAL300011450442	1	34	-2.0	-102.38	341.59	6.17	-96.21
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2)C(F)=C1	REAL300011450447	1	34	-2.0	-97.56	329.47	5.63	-91.93
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2)=CC(F)=C1Cl	REAL300011450454	1	34	-2.0	-98.64	342.36	6.01	-92.63
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2)=C1F	REAL300011450455	1	37	-2.0	-108.49	349.76	6.27	-102.22
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2)=C1	REAL300011450457	0	34	-2.0	-98.86	335.76	5.69	-93.17
CC1=CC(F)=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300011450461	1	37	-2.0	-108.16	345.48	6.16	-102.00
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2)=C1	REAL300011450463	1	37	-2.0	-116.32	349.04	6.25	-110.07
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2)=C1	REAL300011450476	1	34	-2.0	-106.98	329.48	5.64	-101.34
O=C([O-])C1=CSC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2)=C1	REAL300011450478	1	31	-2.0	-104.76	317.19	4.61	-100.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2)C([N+](=O)[O-])=C1	REAL300011450498	1	36	-2.0	-96.04	342.46	7.18	-88.86
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2)=C1[N+](=O)[O-]	REAL300011450505	1	36	-2.0	-118.26	347.73	7.45	-110.81
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]CC(F)(F)C2=CC=CC=C2)=C1F	REAL300011450507	1	34	-2.0	-115.40	327.66	5.60	-109.80
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC=C3SC=CC3=C2)=C1	REAL300011450529	1	34	-2.0	-95.73	341.10	6.17	-89.56
O=C([O-])C1=CC(S(=O)(=O)[N-]C2CCCC2(F)F)=C(F)C=C1F	REAL300011450662	0	31	-2.0	-100.87	296.82	4.18	-96.69
O=C([O-])C1=CC(S(=O)(=O)[N-]C2CCCC2(F)F)=C(Cl)C=C1F	REAL300011450663	1	31	-2.0	-100.18	304.42	4.70	-95.48
O=C([O-])C1=CC(S(=O)(=O)[N-]C2CCCC2(F)F)=CC(Cl)=C1Cl	REAL300011450664	1	31	-2.0	-95.98	312.34	5.01	-90.97
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]C2CCCC2(F)F)=C1	REAL300011450665	1	31	-2.0	-95.86	315.06	5.12	-90.74
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]C2CCCC2(F)F)S1	REAL300011450666	0	28	-2.0	-93.16	295.46	3.98	-89.18
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2CCCC2(F)F)C(F)=C1	REAL300011450671	1	31	-2.0	-94.82	292.28	4.16	-90.66
O=C([O-])C1=CC(S(=O)(=O)[N-]C2CCCC2(F)F)=CC(F)=C1Cl	REAL300011450681	1	31	-2.0	-94.50	303.02	4.60	-89.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2CCCC2(F)F)=C1F	REAL300011450682	1	34	-2.0	-104.90	312.59	4.79	-100.11
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCC2(F)F)=C1	REAL300011450685	0	31	-2.0	-95.40	298.59	4.22	-91.18
CC1=CC(F)=C(S(=O)(=O)[N-]C2CCCC2(F)F)C=C1C(=O)[O-]	REAL300011450693	1	34	-2.0	-106.87	312.17	4.79	-102.08
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2CCCC2(F)F)=C1	REAL300011450695	1	34	-2.0	-113.95	311.87	4.78	-109.17
O=C([O-])C1=CC(S(=O)(=O)[N-]C2CCCC2(F)F)=C(Cl)C=C1Cl	REAL300011450700	1	31	-2.0	-99.06	312.41	5.05	-94.01
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2CCCC2(F)F)=C1	REAL300011450712	1	31	-2.0	-107.90	288.65	4.27	-103.63
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2CCCC2(F)F)=C1	REAL300011450714	1	28	-2.0	-102.83	280.04	3.11	-99.72
O=C([O-])C1=CC(S(=O)(=O)[N-]C2CCCC2(F)F)=C(Br)S1	REAL300011450728	1	28	-2.0	-99.24	297.05	3.88	-95.36
O=C([O-])C1=CC(S(=O)(=O)[N-]C2CCCC2(F)F)=C(Br)O1	REAL300011450734	0	28	-2.0	-96.46	291.03	3.19	-93.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2CCCC2(F)F)C([N+](=O)[O-])=C1	REAL300011450740	1	33	-2.0	-91.70	302.76	5.55	-86.15
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2CCCC2(F)F)=C1[N+](=O)[O-]	REAL300011450747	1	33	-2.0	-112.51	310.58	5.95	-106.56
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2CCCC2(F)F)=C1F	REAL300011450750	1	31	-2.0	-110.30	290.45	4.12	-106.18
C=C(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CC=C1	REAL300011450781	1	35	-2.0	-98.05	339.02	6.02	-92.03
C=CCCCCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011451059	1	43	-2.0	-93.95	386.06	7.05	-86.90
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCOCC2CCCC2)=C1	REAL300011451300	1	41	-2.0	-97.65	365.08	4.60	-93.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(C3CCC3)CCC2)=C1	REAL300011451386	1	41	-2.0	-97.20	349.87	6.47	-90.73
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CCCC1	REAL300011451472	1	41	-2.0	-97.29	358.16	6.36	-90.93
CC1(C)CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCO1	REAL300011451557	1	41	-2.0	-94.98	353.19	3.91	-91.07
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2CC(F)(F)C2)=C1	REAL300011451645	1	34	-2.0	-91.97	327.19	4.82	-87.15
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCC(=O)N1	REAL300011451821	1	35	-2.0	-96.75	326.31	1.18	-95.57
CC1=CN=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C=N1	REAL300011451938	1	35	-2.0	-98.64	336.28	2.56	-96.08
CC1=CC=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)N=C1	REAL300011452277	1	36	-2.0	-101.15	341.32	4.46	-96.69
CC1CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)O1	REAL300011452372	1	35	-2.0	-100.11	322.37	2.86	-97.25
CC(CC(C)(C)C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011452522	1	39	-2.0	-92.93	332.22	5.68	-87.25
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCCC2C2CC2)=C1	REAL300011452997	1	44	-2.0	-98.23	370.18	6.99	-91.24
COC(=O)C(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F	REAL300011453126	1	30	-2.0	-98.14	304.64	2.66	-95.48
COC(=O)C(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl	REAL300011453129	1	30	-2.0	-96.28	322.88	3.61	-92.67
COC(=O)C(F)C[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1	REAL300011453130	1	27	-2.0	-92.46	307.24	2.29	-90.17
COC(=O)C(F)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011453149	1	30	-2.0	-94.82	306.42	2.70	-92.12
COC(=O)C(F)C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011453198	1	27	-2.0	-93.47	298.85	1.67	-91.80
CC1(C)[C@@H](C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)[C@@H]1C1=CC=CC=C1	REAL300011453428	1	44	-2.0	-98.12	386.33	7.77	-90.35
CC1=CC=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)N=C1C	REAL300011453562	1	33	-2.0	-102.11	330.24	3.11	-99.00
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2CC3CCC2O3)=C1	REAL300011453704	1	39	-2.0	-97.54	343.58	3.75	-93.79
CC(C)(CC#N)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011453796	1	34	-2.0	-91.11	321.42	4.18	-86.93
CC(CCCC1=CC=CN=C1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011454090	1	42	-2.0	-95.83	378.86	6.31	-89.52
CC1=NC=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)O1	REAL300011454356	1	30	-2.0	-99.14	299.80	0.35	-98.79
CC1=NC=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)O1	REAL300011454359	1	30	-2.0	-95.57	318.04	1.31	-94.26
CC1=NC=C(C[N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)O1	REAL300011454360	1	27	-2.0	-93.19	302.40	-0.02	-93.21
CC1=NC=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)O1	REAL300011454379	1	30	-2.0	-94.61	301.58	0.39	-94.22
CC1=NC=C(C[N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)O1	REAL300011454420	1	27	-2.0	-97.50	300.01	0.05	-97.45
CC1=NC=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)O1	REAL300011454426	1	27	-2.0	-94.86	294.01	-0.64	-95.50
CC1=NC=C(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])O1	REAL300011454427	1	33	-2.0	-123.39	305.81	0.71	-122.68
CC1=NC=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])O1	REAL300011454432	1	32	-2.0	-91.66	310.86	1.92	-89.74
CC1=NC=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])O1	REAL300011454439	1	32	-2.0	-112.65	313.55	2.16	-110.49
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NN3C=CC=NC3=N2)=C1	REAL300011454606	1	32	-2.0	-112.59	321.37	4.95	-107.64
CC(C)(C)C1CCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011454688	1	43	-2.0	-97.35	353.67	6.01	-91.34
NC(=O)[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011454948	1	35	-2.0	-103.01	319.53	0.67	-102.34
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@@H]2C[C@H]2C2=CC=CO2)=C1	REAL300011455127	1	32	-2.0	-95.76	316.67	4.55	-91.21
C=C(CC)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011455957	1	31	-2.0	-94.25	300.17	3.77	-90.48
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCC2C2CC2)=C1	REAL300011456196	1	41	-2.0	-97.94	355.91	6.33	-91.61
CC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CS1	REAL300011456290	1	32	-2.0	-91.73	305.53	4.41	-87.32
CCCC1CCCCC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011456380	1	46	-2.0	-97.59	383.85	7.04	-90.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CNC(=O)C2)=C1	REAL300011456466	1	32	-2.0	-93.97	306.72	0.18	-93.79
CCS(=O)(=O)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011456555	1	36	-2.0	-103.88	350.86	1.02	-102.86
COC1=CC=CC([C@@H]2C[C@H]2C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300011456625	1	42	-2.0	-97.90	382.84	6.25	-91.65
COC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCC1	REAL300011456771	1	35	-2.0	-96.68	320.43	2.64	-94.04
COCCC(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011456870	1	37	-2.0	-94.43	337.62	2.99	-91.44
CCN1C=CC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=N1	REAL300011457015	1	31	-2.0	-103.55	320.99	2.36	-101.19
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NN=C(C3CC3)S2)=C1	REAL300011457105	1	33	-2.0	-96.46	336.68	3.22	-93.24
COCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCCC1	REAL300011457258	1	41	-2.0	-99.56	358.09	4.81	-94.75
CS(=O)(=O)CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCC1	REAL300011457535	1	40	-2.0	-108.15	367.60	2.12	-106.03
COC1=CC=CN=C1C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011457638	1	31	-2.0	-104.27	319.97	1.34	-102.93
COC1=CC=CN=C1C[N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011457643	1	36	-2.0	-100.15	334.21	3.87	-96.28
CC1(C)CCCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011457681	1	43	-2.0	-96.23	361.32	6.07	-90.16
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NC=CC(C(F)(F)F)=N2)=C1	REAL300011457754	1	32	-2.0	-99.88	334.10	3.08	-96.80
CC1(C)CCC(C)(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011457812	1	46	-2.0	-96.31	372.93	6.52	-89.79
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CC=CN=C1	REAL300011457888	1	39	-2.0	-99.03	351.75	4.82	-94.21
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)OCC1CC1	REAL300011457970	1	41	-2.0	-98.20	364.20	4.67	-93.53
CCC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F)CC(F)(F)F	REAL300011458035	1	36	-2.0	-96.11	330.89	4.70	-91.41
CCC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)CC(F)(F)F	REAL300011458051	0	36	-2.0	-91.55	332.66	4.74	-86.81
CCC(C[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])CC(F)(F)F	REAL300011458100	1	38	-2.0	-108.03	343.37	6.46	-101.57
CC(C)(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)S(C)(=O)=O	REAL300011458121	1	39	-2.0	-113.81	353.66	1.16	-112.65
CC1CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)O1	REAL300011458396	1	38	-2.0	-92.37	336.51	3.22	-89.15
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011458585	1	42	-2.0	-95.82	381.09	2.47	-93.35
COC(=O)C(CC1CC1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011458647	1	37	-2.0	-98.63	352.65	5.02	-93.61
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F)CC(F)(F)F	REAL300011458714	1	33	-2.0	-95.60	318.24	4.25	-91.35
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1Cl)CC(F)(F)F	REAL300011458717	1	33	-2.0	-91.92	336.34	5.18	-86.74
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)CC(F)(F)F	REAL300011458732	0	33	-2.0	-90.92	319.88	4.27	-86.65
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)C=C1Cl)CC(F)(F)F	REAL300011458744	1	33	-2.0	-93.78	333.82	5.13	-88.65
CC(C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1)CC(F)(F)F	REAL300011458774	1	30	-2.0	-91.26	312.44	3.27	-87.99
CC(C[N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])CC(F)(F)F	REAL300011458786	1	35	-2.0	-107.56	330.45	6.01	-101.55
CC([N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)C1=CSN=N1	REAL300011458804	1	26	-2.0	-95.24	299.66	1.60	-93.64
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=CSN=N1	REAL300011458821	1	29	-2.0	-89.99	297.47	2.22	-87.77
CC([N-]S(=O)(=O)C1=C(Br)SC(C(=O)[O-])=C1)C1=CSN=N1	REAL300011458862	1	26	-2.0	-92.94	295.94	1.88	-91.06
CC([N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1)C1=CSN=N1	REAL300011458868	1	26	-2.0	-95.66	291.27	0.99	-94.67
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C1=CSN=N1	REAL300011458874	1	31	-2.0	-86.50	306.76	3.72	-82.78
CC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C1=CSN=N1	REAL300011458881	1	31	-2.0	-106.05	309.48	3.98	-102.07
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCC2(O)CCC2)=C1	REAL300011459067	1	38	-2.0	-93.56	343.29	2.26	-91.30
COC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)CC(C)C	REAL300011459161	1	40	-2.0	-94.31	354.36	4.06	-90.25
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CC23CC3)=C1	REAL300011459253	1	32	-2.0	-95.76	308.40	4.87	-90.89
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2COCC3=CC=CC=C32)=C1	REAL300011459535	1	36	-2.0	-98.64	330.79	4.40	-94.24
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CC2(F)F)=C(F)C=C1F	REAL300011459601	1	28	-2.0	-99.70	286.22	3.48	-96.22
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]CC2CC2(F)F)S1	REAL300011459605	1	25	-2.0	-92.55	288.80	3.12	-89.43
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CC2(F)F)=C1	REAL300011459624	1	28	-2.0	-94.73	287.97	3.53	-91.20
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CC2(F)F)=C(Br)O1	REAL300011459668	1	25	-2.0	-93.50	280.41	2.50	-91.00
CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CC1(C)C	REAL300011459807	1	40	-2.0	-91.70	334.82	6.82	-84.88
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CC3C=CC2CC3)=C1	REAL300011459899	1	39	-2.0	-96.71	337.29	5.79	-90.92
CCCN1CC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1=O	REAL300011459980	1	41	-2.0	-94.47	372.05	4.25	-90.22
NC(=O)CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011460062	1	35	-2.0	-100.98	332.22	0.71	-100.27
NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011460149	1	41	-2.0	-97.77	363.07	1.85	-95.92
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1(O)CCOCC1	REAL300011460215	1	45	-2.0	-99.14	368.06	1.47	-97.67
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CCCCC1	REAL300011460941	1	40	-2.0	-95.02	338.43	6.06	-88.96
C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011461086	1	36	-2.0	-92.78	334.54	3.26	-89.52
C=CCN1C=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)N=N1	REAL300011461178	1	34	-2.0	-101.47	335.23	2.70	-98.77
C=CCN1C=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)N=N1	REAL300011461220	1	31	-2.0	-101.84	327.67	1.68	-100.16
C=CCN1C=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])N=N1	REAL300011461225	1	36	-2.0	-98.57	341.92	4.21	-94.36
C=CCN1C=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])N=N1	REAL300011461232	1	36	-2.0	-114.30	347.23	4.46	-109.84
CS(=O)(=O)CCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011461343	1	36	-2.0	-104.58	350.89	0.93	-103.65
COC1=CC=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=N1	REAL300011461410	1	33	-2.0	-104.21	324.74	0.49	-103.72
COC1=CC=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300011461411	1	33	-2.0	-103.32	332.31	1.02	-102.30
COC1=CC=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300011461413	1	33	-2.0	-100.45	342.94	1.44	-99.01
COC1=CC=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011461428	1	33	-2.0	-99.63	326.46	0.53	-99.10
COC1=CC=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300011461450	1	33	-2.0	-107.93	320.19	0.47	-107.46
COC1=CC=NC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=N1	REAL300011461470	0	30	-2.0	-99.32	318.91	-0.50	-99.82
COC1=CC=NC(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])=N1	REAL300011461471	1	36	-2.0	-129.45	330.70	0.85	-128.60
COC1=CC=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011461475	1	35	-2.0	-96.00	335.73	2.07	-93.93
COC1=CC=NC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011461482	1	35	-2.0	-117.18	338.46	2.29	-114.89
N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011461835	1	32	-2.0	-92.73	305.95	4.25	-88.48
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=N1	REAL300011461983	1	36	-2.0	-102.86	342.75	2.39	-100.47
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300011461986	1	36	-2.0	-99.31	360.97	3.35	-95.96
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011462001	1	36	-2.0	-98.17	344.49	2.44	-95.73
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=N1	REAL300011462043	1	33	-2.0	-98.78	336.94	1.41	-97.37
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])=N1	REAL300011462044	1	39	-2.0	-125.62	348.74	2.76	-122.86
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011462048	1	38	-2.0	-95.10	351.19	3.95	-91.15
CCN1N=C(C)C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011462055	1	38	-2.0	-113.92	356.46	4.20	-109.72
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)=C1	REAL300011462090	1	38	-2.0	-95.64	345.59	6.13	-89.51
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CC3CCC2CC3)=C1	REAL300011462487	1	41	-2.0	-97.81	345.12	5.90	-91.91
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F)CC(F)F	REAL300011462649	1	33	-2.0	-98.43	314.48	4.14	-94.29
CC(C[N-]S(=O)(=O)C1=C(Br)C=C(C(=O)[O-])S1)CC(F)F	REAL300011462653	1	30	-2.0	-91.34	317.07	3.77	-87.57
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)CC(F)F	REAL300011462670	1	33	-2.0	-92.30	314.49	4.15	-88.15
CC(C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1)CC(F)F	REAL300011462717	1	30	-2.0	-92.91	308.68	3.15	-89.76
COCC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011462765	1	38	-2.0	-97.55	350.17	3.68	-93.87
CC(C)[C@@H]1CCO[C@@H]1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011462914	1	41	-2.0	-100.05	346.85	3.64	-96.41
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCOCC2CCC2)=C1	REAL300011463003	1	38	-2.0	-97.21	347.94	3.97	-93.24
CC1=CC=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)N=C1	REAL300011463487	1	30	-2.0	-100.62	313.00	2.61	-98.01
CN1C=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)N=N1	REAL300011463535	1	33	-2.0	-104.01	322.45	2.07	-101.94
CC(C)(C)N1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1=O	REAL300011463622	1	41	-2.0	-107.75	357.43	4.81	-102.94
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCC(F)C2)=C1	REAL300011463768	1	37	-2.0	-97.32	332.09	5.22	-92.10
O=C([O-])C1=CC(S(=O)(=O)[N-]CC2CCCC(F)C2)=C(Br)O1	REAL300011463814	1	34	-2.0	-97.17	324.52	4.20	-92.97
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2=CC=CC=C2)=C1	REAL300011463855	1	38	-2.0	-96.21	353.34	6.95	-89.26
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C2=CC=CC=C2)=C1	REAL300011463935	1	38	-2.0	-96.38	353.36	6.95	-89.43
CCC(C)CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C(=O)OC	REAL300011464038	1	42	-2.0	-97.77	376.85	5.47	-92.30
CN1C=NC(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011464278	1	36	-2.0	-103.11	344.80	4.64	-98.47
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CN(C3CC3)C(=O)O2)=C1	REAL300011464665	1	37	-2.0	-104.30	346.27	3.16	-101.14
CN1N=NC2=C1CCC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C2	REAL300011464945	1	37	-2.0	-104.87	337.41	3.02	-101.85
COCC(CC(C)(C)C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011465024	1	43	-2.0	-98.57	357.41	4.09	-94.48
CC(CC1=CC=CC=N1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011465148	1	36	-2.0	-98.53	335.53	4.71	-93.82
NC(=O)C1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCOC1	REAL300011465240	1	33	-2.0	-90.08	305.38	-1.58	-91.66
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCC2CC2)=C1	REAL300011465539	1	34	-2.0	-93.98	318.86	4.93	-89.05
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCC3=CC=C(F)C(F)=C32)=C1	REAL300011465613	1	35	-2.0	-105.86	331.71	6.27	-99.59
CC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)N1C[C@@H](C)O[C@@H](C)C1	REAL300011465756	1	46	-2.0	-96.32	388.09	2.29	-94.03
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300011465794	0	41	-2.0	-98.73	360.89	3.02	-95.71
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300011465795	0	41	-2.0	-92.68	361.43	3.01	-89.67
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)C1=CN(C)C(C(=O)[O-])=C1	REAL300011465796	0	42	-2.0	-91.55	357.93	2.86	-88.69
CC1=C(S(=O)(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C=C(C(=O)[O-])O1	REAL300011465797	0	41	-2.0	-94.45	358.97	1.97	-92.48
C=CCCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011465924	1	37	-2.0	-93.69	343.06	5.49	-88.20
CC1=CN=C(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C(C)=C1	REAL300011466013	1	39	-2.0	-100.40	358.27	4.89	-95.51
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300011466080	1	42	-2.0	-96.62	383.07	2.84	-93.78
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=N1	REAL300011466082	0	38	-2.0	-103.83	355.78	2.58	-101.25
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300011466083	1	38	-2.0	-103.01	363.36	3.11	-99.90
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300011466088	1	38	-2.0	-98.81	351.24	2.57	-96.24
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300011466089	1	38	-2.0	-101.82	352.19	2.56	-99.26
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300011466090	1	38	-2.0	-97.14	358.83	3.09	-94.05
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300011466091	1	38	-2.0	-98.66	350.29	2.53	-96.13
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300011466094	1	38	-2.0	-103.03	366.49	3.03	-100.00
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300011466095	1	38	-2.0	-100.51	364.14	2.94	-97.57
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011466098	0	38	-2.0	-99.65	357.53	2.62	-97.03
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300011466100	1	40	-2.0	-97.21	373.97	3.16	-94.05
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300011466107	1	38	-2.0	-107.41	358.85	3.10	-104.31
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300011466117	1	38	-2.0	-108.51	351.25	2.56	-105.95
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300011466119	1	35	-2.0	-105.18	338.96	1.53	-103.65
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300011466133	1	35	-2.0	-106.58	337.42	1.54	-105.04
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011466140	0	40	-2.0	-97.60	366.81	4.16	-93.44
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300011466142	1	35	-2.0	-101.03	338.05	1.64	-99.39
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300011466144	1	40	-2.0	-110.90	372.35	3.58	-107.32
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011466147	0	40	-2.0	-120.17	369.50	4.39	-115.78
CC(C)(C)N1N=NC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300011466149	1	38	-2.0	-117.03	349.43	2.52	-114.51
COCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011466184	1	35	-2.0	-98.06	325.01	4.08	-93.98
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CC(C3CCCCC3)C2)=C1	REAL300011466432	1	44	-2.0	-95.94	373.40	7.15	-88.79
CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011466512	1	41	-2.0	-97.85	362.18	4.35	-93.50
C[C@@H]([N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1)C1=CN=NN1C	REAL300011466882	1	30	-2.0	-87.89	303.32	1.57	-86.32
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCC2CC2(Cl)Cl)=C1	REAL300011467023	1	34	-2.0	-94.84	350.30	5.94	-88.90
CC(C)OCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011467303	1	37	-2.0	-94.01	341.55	3.36	-90.65
CC(=O)N1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011467589	1	38	-2.0	-95.29	337.35	3.38	-91.91
CC1=CSC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=N1	REAL300011467731	1	30	-2.0	-100.31	309.00	2.49	-97.82
CC1=CSC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300011467734	1	30	-2.0	-96.44	327.22	3.46	-92.98
CC1=CSC(C[N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=N1	REAL300011467735	1	27	-2.0	-94.64	311.58	2.13	-92.51
CC1=CSC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011467752	1	30	-2.0	-96.13	310.75	2.54	-93.59
CC1=CSC(C[N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=N1	REAL300011467793	1	27	-2.0	-98.20	309.18	2.20	-96.00
CC1=CSC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=N1	REAL300011467799	1	27	-2.0	-95.49	303.19	1.52	-93.97
CC1=CSC(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])=N1	REAL300011467800	1	33	-2.0	-128.96	314.99	2.86	-126.10
CC1=CSC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011467805	1	32	-2.0	-92.35	317.44	4.05	-88.30
CC1=CSC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011467812	1	32	-2.0	-116.40	322.73	4.31	-112.09
CC1=NC(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=CS1	REAL300011467843	1	33	-2.0	-100.00	331.92	3.32	-96.68
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCN(C(=O)C3CC3)CC2)=C1	REAL300011467965	1	42	-2.0	-99.19	367.46	4.90	-94.29
CSCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011468231	1	31	-2.0	-93.61	310.49	3.82	-89.79
COCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011468534	1	34	-2.0	-93.87	320.93	2.43	-91.44
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCOCC2)=C1	REAL300011468645	1	35	-2.0	-94.39	318.44	2.76	-91.63
CC(=O)NCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011468744	1	34	-2.0	-97.57	326.26	0.94	-96.63
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCS(=O)(=O)C2)=C1	REAL300011468914	1	31	-2.0	-96.41	305.68	-0.04	-96.45
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC(=O)N2CCCC2)=C1	REAL300011469119	1	38	-2.0	-102.00	349.44	3.36	-98.64
CS(=O)(=O)N1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011469192	1	39	-2.0	-97.08	356.93	0.99	-96.09
CN1C=NN=C1C[N-]S(=O)(=O)C1=C(Br)OC(C(=O)[O-])=C1	REAL300011469371	1	27	-2.0	-100.34	292.15	2.87	-97.47
CN(C)C(=O)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011469633	1	34	-2.0	-101.23	322.05	2.04	-99.19
CNC(=O)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011469734	1	31	-2.0	-100.43	303.87	0.10	-100.33
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2COCCO2)=C1	REAL300011470148	1	33	-2.0	-96.15	310.28	1.03	-95.12
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)=C1	REAL300011470285	1	31	-2.0	-94.44	323.65	0.74	-93.70
CS(=O)(=O)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011470468	1	33	-2.0	-104.69	329.39	0.15	-104.54
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=NC=CS2)=C1	REAL300011470557	1	30	-2.0	-96.63	310.45	2.71	-93.92
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300011470750	1	32	-2.0	-93.73	304.70	1.14	-92.59
CC1=NOC(C[N-]S(=O)(=O)C2=CC3=C(OCCO3)C(C(=O)[O-])=C2)=N1	REAL300011470751	1	35	-2.0	-107.18	326.15	0.07	-107.11
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300011470752	1	33	-2.0	-88.78	321.28	0.64	-88.14
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=N1	REAL300011470753	1	39	-2.0	-88.44	363.72	1.55	-86.89
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300011470754	1	33	-2.0	-87.72	331.08	1.12	-86.60
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)=N1	REAL300011470755	1	39	-2.0	-87.93	373.53	2.03	-85.90
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=N1	REAL300011470758	0	29	-2.0	-95.38	294.01	0.38	-95.00
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300011470759	0	29	-2.0	-94.90	301.58	0.91	-93.99
CC1=NOC(C[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300011470760	1	29	-2.0	-92.55	311.67	1.15	-91.40
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300011470761	0	29	-2.0	-91.88	312.21	1.34	-90.54
CC1=NOC(C[N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=N1	REAL300011470762	0	26	-2.0	-89.88	296.57	0.02	-89.86
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300011470767	0	29	-2.0	-89.96	289.45	0.37	-89.59
CC1=NOC(C[N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300011470768	1	29	-2.0	-95.36	305.28	0.91	-94.45
CC1=NOC(C[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300011470769	1	29	-2.0	-93.64	290.40	0.36	-93.28
CC1=NOC(C[N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)=N1	REAL300011470770	1	32	-2.0	-93.00	314.81	1.72	-91.28
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300011470771	1	29	-2.0	-88.62	297.04	0.89	-87.73
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=N1	REAL300011470772	1	29	-2.0	-88.32	300.39	1.05	-87.27
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300011470773	1	29	-2.0	-90.75	288.50	0.34	-90.41
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300011470774	1	29	-2.0	-88.60	296.47	0.70	-87.90
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300011470775	1	32	-2.0	-95.29	313.43	1.52	-93.77
CC1=NOC(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300011470776	1	29	-2.0	-93.71	304.70	0.83	-92.88
CC1=NOC(C[N-]S(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300011470777	1	29	-2.0	-91.16	302.35	0.74	-90.42
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300011470778	0	32	-2.0	-100.00	309.73	0.99	-99.01
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Br)=N1	REAL300011470779	1	32	-2.0	-99.11	318.58	1.62	-97.49
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)CCC(=O)[O-])C=C2)=N1	REAL300011470780	1	37	-2.0	-87.02	347.72	1.71	-85.31
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011470781	0	29	-2.0	-90.93	295.73	0.42	-90.51
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300011470783	0	31	-2.0	-87.98	312.17	0.97	-87.01
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)=N1	REAL300011470784	0	29	-2.0	-94.61	304.93	1.07	-93.54
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=N1	REAL300011470786	1	29	-2.0	-88.13	300.21	0.80	-87.33
CC1=NOC(C[N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=N1	REAL300011470787	1	32	-2.0	-97.50	321.83	1.46	-96.04
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)=N1	REAL300011470788	1	32	-2.0	-95.77	317.46	1.61	-94.16
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C)=C(F)C(C(=O)[O-])=C2)=N1	REAL300011470789	1	32	-2.0	-101.59	308.82	0.95	-100.64
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300011470790	0	32	-2.0	-99.57	305.46	0.90	-98.67
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=N1	REAL300011470791	1	32	-2.0	-99.28	315.77	1.45	-97.83
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300011470793	1	32	-2.0	-87.62	314.10	1.11	-86.51
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300011470794	1	32	-2.0	-100.11	315.21	1.26	-98.85
CC1=NOC(C[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=N1	REAL300011470795	1	32	-2.0	-92.63	310.25	1.62	-91.01
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300011470796	0	29	-2.0	-97.51	297.06	0.90	-96.61
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=N1	REAL300011470797	0	29	-2.0	-93.55	309.55	1.27	-92.28
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(Br)C(C(=O)[O-])=C2)=N1	REAL300011470799	1	29	-2.0	-97.89	300.23	0.79	-97.10
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)NCC(=O)[O-])C=C2)=N1	REAL300011470801	1	36	-2.0	-84.41	340.44	-1.12	-85.53
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300011470802	1	29	-2.0	-100.24	288.52	0.33	-99.91
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=N1	REAL300011470804	0	29	-2.0	-97.09	300.40	1.06	-96.03
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300011470807	0	29	-2.0	-98.50	289.46	0.36	-98.14
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300011470809	1	26	-2.0	-96.91	277.17	-0.67	-97.58
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(C)C)=N1	REAL300011470811	1	38	-2.0	-104.22	337.88	2.40	-101.82
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCCC3)=N1	REAL300011470817	1	39	-2.0	-105.98	339.24	3.07	-102.91
CC1=NOC(C[N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=N1	REAL300011470823	0	26	-2.0	-93.71	294.17	0.08	-93.63
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300011470824	1	29	-2.0	-93.24	293.12	-0.01	-93.25
CC1=NOC(C[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300011470825	1	26	-2.0	-98.21	275.64	-0.66	-98.87
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC3=C2CCC3)=N1	REAL300011470827	1	36	-2.0	-106.29	328.23	2.21	-104.08
CC1=NOC(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300011470828	0	29	-2.0	-96.49	287.00	-0.56	-97.05
CC1=NOC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=N1	REAL300011470829	0	26	-2.0	-91.27	288.18	-0.61	-91.88
CC1=NOC(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])=N1	REAL300011470830	0	32	-2.0	-119.21	299.95	0.75	-118.46
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=N1	REAL300011470832	1	33	-2.0	-89.91	328.68	0.61	-89.30
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011470835	0	31	-2.0	-88.87	305.02	1.97	-86.90
CC1=NOC(C[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300011470836	1	29	-2.0	-99.32	292.59	0.20	-99.12
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300011470837	1	26	-2.0	-92.15	276.26	-0.56	-92.71
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300011470839	1	31	-2.0	-101.48	310.54	1.38	-100.10
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2C)=N1	REAL300011470841	1	32	-2.0	-100.20	303.94	1.13	-99.07
CC1=NOC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011470842	0	31	-2.0	-109.56	307.70	2.19	-107.37
CC1=NOC(C[N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300011470843	0	38	-2.0	-99.41	333.51	2.89	-96.52
CC1=NOC(C[N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=N1	REAL300011470844	1	32	-2.0	-96.97	317.72	1.37	-95.60
CC1=NOC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300011470845	0	29	-2.0	-106.40	287.60	0.32	-106.08
CC1=NOC(C[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300011470846	1	32	-2.0	-95.24	308.92	0.97	-94.27
CC1=NC=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)S1	REAL300011471148	1	27	-2.0	-93.91	303.31	1.74	-92.17
CNC(=O)C1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011471357	1	41	-2.0	-101.13	356.03	3.02	-98.11
CS(=O)(=O)N1CCCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011471509	1	39	-2.0	-105.43	356.48	1.01	-104.42
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=C1	REAL300011471768	1	30	-2.0	-97.67	299.32	2.94	-94.73
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=C1	REAL300011471769	1	30	-2.0	-97.28	306.93	3.47	-93.81
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=C1	REAL300011471771	1	30	-2.0	-94.11	317.56	3.90	-90.21
CC1=NOC(C[N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=C1	REAL300011471772	1	27	-2.0	-91.05	301.92	2.58	-88.47
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=C1	REAL300011471777	1	30	-2.0	-90.75	294.80	2.93	-87.82
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=C1	REAL300011471788	1	33	-2.0	-102.48	315.11	3.56	-98.92
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=C1	REAL300011471791	1	30	-2.0	-92.79	301.09	2.98	-89.81
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=C1	REAL300011471793	1	32	-2.0	-88.21	317.53	3.53	-84.68
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)=C1	REAL300011471794	1	30	-2.0	-97.11	310.28	3.64	-93.47
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300011471800	1	33	-2.0	-102.08	310.82	3.46	-98.62
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=C1	REAL300011471807	1	30	-2.0	-96.02	314.91	3.82	-92.20
CC1=NOC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300011471817	1	30	-2.0	-101.02	294.82	2.92	-98.10
CC1=NOC(C[N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=C1	REAL300011471832	1	27	-2.0	-96.10	299.52	2.64	-93.46
CC1=NOC(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300011471837	1	30	-2.0	-99.29	292.37	1.99	-97.30
CC1=NOC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=C1	REAL300011471838	0	27	-2.0	-93.31	293.54	1.96	-91.35
CC1=NOC(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])=C1	REAL300011471839	1	33	-2.0	-118.49	305.30	3.31	-115.18
CC1=NOC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=C1	REAL300011471844	1	32	-2.0	-88.90	310.37	4.52	-84.38
CC1=NOC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=C1	REAL300011471851	1	32	-2.0	-108.14	313.07	4.75	-103.39
CC1=NOC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=C1	REAL300011471854	1	30	-2.0	-105.80	293.00	2.88	-102.92
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCOCC2CC2)=C1	REAL300011471889	1	35	-2.0	-96.76	331.38	3.44	-93.32
CC(COCC(F)(F)F)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011472013	1	34	-2.0	-95.61	334.19	3.28	-92.33
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=N1	REAL300011472152	1	35	-2.0	-93.67	320.92	1.94	-91.73
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=N1	REAL300011472154	1	36	-2.0	-89.00	337.50	1.47	-87.53
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=N1	REAL300011472155	1	42	-2.0	-88.41	379.96	2.36	-86.05
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=N1	REAL300011472156	1	36	-2.0	-87.86	347.30	1.94	-85.92
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=N1	REAL300011472159	0	32	-2.0	-95.40	310.21	1.21	-94.19
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=N1	REAL300011472160	1	32	-2.0	-94.75	317.80	1.72	-93.03
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300011472161	1	32	-2.0	-92.46	327.89	1.96	-90.50
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=N1	REAL300011472162	0	32	-2.0	-91.81	328.43	2.15	-89.66
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=N1	REAL300011472163	0	29	-2.0	-90.36	312.79	0.83	-89.53
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=N1	REAL300011472168	1	32	-2.0	-90.56	305.67	1.19	-89.37
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300011472169	1	32	-2.0	-95.97	321.50	1.72	-94.25
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=N1	REAL300011472170	1	32	-2.0	-94.13	306.62	1.18	-92.95
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=N1	REAL300011472171	1	32	-2.0	-89.02	313.25	1.70	-87.32
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=N1	REAL300011472172	1	32	-2.0	-88.73	316.61	1.88	-86.85
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300011472173	1	32	-2.0	-90.87	304.74	1.16	-89.71
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300011472175	1	35	-2.0	-95.22	329.65	2.33	-92.89
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=N1	REAL300011472176	1	32	-2.0	-93.59	320.92	1.64	-91.95
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300011472177	1	32	-2.0	-91.01	318.57	1.55	-89.46
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=N1	REAL300011472178	1	35	-2.0	-100.00	325.98	1.81	-98.19
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011472180	0	32	-2.0	-91.03	311.96	1.24	-89.79
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=N1	REAL300011472182	1	34	-2.0	-88.08	328.40	1.78	-86.30
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=N1	REAL300011472184	1	32	-2.0	-88.38	316.45	1.61	-86.77
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300011472186	1	35	-2.0	-99.49	321.68	1.71	-97.78
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=N1	REAL300011472187	1	35	-2.0	-99.18	331.95	2.28	-96.90
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=N1	REAL300011472191	1	35	-2.0	-93.24	326.47	2.42	-90.82
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=N1	REAL300011472192	1	32	-2.0	-97.39	313.28	1.70	-95.69
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=N1	REAL300011472193	1	32	-2.0	-93.48	325.77	2.08	-91.40
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=N1	REAL300011472201	1	32	-2.0	-96.94	316.62	1.87	-95.07
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300011472205	1	32	-2.0	-98.53	305.68	1.17	-97.36
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300011472207	1	29	-2.0	-96.92	293.39	0.13	-96.79
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=N1	REAL300011472221	0	29	-2.0	-93.73	310.39	0.90	-92.83
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300011472222	1	32	-2.0	-93.84	309.33	0.80	-93.04
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300011472223	1	29	-2.0	-98.18	291.85	0.15	-98.03
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300011472226	1	32	-2.0	-96.68	303.24	0.26	-96.42
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=N1	REAL300011472227	0	29	-2.0	-91.42	304.40	0.23	-91.19
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])=N1	REAL300011472228	0	35	-2.0	-118.26	316.17	1.53	-116.73
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=N1	REAL300011472230	1	36	-2.0	-90.37	344.91	1.42	-88.95
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011472233	0	34	-2.0	-89.40	321.23	2.74	-86.66
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300011472234	1	32	-2.0	-99.18	309.90	1.02	-98.16
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300011472235	1	29	-2.0	-92.67	292.47	0.24	-92.43
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=N1	REAL300011472237	1	34	-2.0	-101.41	326.79	2.20	-99.21
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011472240	0	34	-2.0	-110.47	323.93	3.00	-107.47
CC1=NOC(C(C)[N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=N1	REAL300011472241	1	41	-2.0	-99.27	349.72	3.62	-95.65
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=N1	REAL300011472243	1	32	-2.0	-107.33	303.87	1.14	-106.19
CC1=NOC(C(C)[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=N1	REAL300011472244	1	35	-2.0	-95.33	325.17	1.79	-93.54
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)=C1	REAL300011472262	1	36	-2.0	-110.05	347.91	0.17	-109.88
C#CCNC(=O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011472415	1	30	-2.0	-98.49	310.10	0.79	-97.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCSCC2)=C1	REAL300011472538	1	32	-2.0	-91.55	301.67	4.25	-87.30
COCCOCCCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011472629	1	41	-2.0	-96.77	376.41	2.66	-94.11
CC1=NOC(CCC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011472811	1	35	-2.0	-94.09	338.74	1.98	-92.11
CCS(=O)(=O)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011472988	1	33	-2.0	-103.24	329.36	0.23	-103.01
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC(=O)N2CCCCC2)=C1	REAL300011473158	1	38	-2.0	-101.55	342.03	3.40	-98.15
CC(=O)N1CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011473329	1	41	-2.0	-101.18	361.68	3.95	-97.23
CS(=O)(=O)NCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011473547	1	32	-2.0	-98.29	322.80	-2.02	-100.31
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCOCC2CCOC2)=C1	REAL300011473631	1	39	-2.0	-96.49	355.81	2.04	-94.45
CC1=NOC(C)=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011473811	1	36	-2.0	-93.36	342.80	4.37	-88.99
CN1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1=O	REAL300011474151	1	32	-2.0	-91.47	305.74	1.96	-89.51
CC1=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)C=NN1C	REAL300011474308	1	31	-2.0	-97.81	318.11	2.00	-95.81
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)F)=C(F)C=C1F	REAL300011474335	0	24	-2.0	-97.67	255.43	2.08	-95.59
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)F)=C(Cl)C=C1F	REAL300011474336	1	24	-2.0	-97.04	263.04	2.61	-94.43
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)F)=CC(Cl)=C1Cl	REAL300011474337	1	24	-2.0	-94.58	273.13	2.85	-91.73
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)[N-]CC(F)F)=C1	REAL300011474338	1	24	-2.0	-94.13	273.67	3.04	-91.09
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]CC(F)F)S1	REAL300011474339	0	21	-2.0	-91.90	258.03	1.72	-90.18
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)F)=CC(F)=C1Cl	REAL300011474345	1	24	-2.0	-93.08	263.81	2.44	-90.64
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC(F)F)=C1	REAL300011474348	0	24	-2.0	-93.22	257.21	2.12	-91.10
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)F)=C(Br)C=C1F	REAL300011474350	1	24	-2.0	-96.76	266.38	2.77	-93.99
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)F)=CC(Br)=C1Cl	REAL300011474360	1	24	-2.0	-95.02	277.34	2.95	-92.07
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)F)=C(Cl)C=C1Cl	REAL300011474361	1	24	-2.0	-95.79	271.02	2.96	-92.83
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)F)=C(Br)S1	REAL300011474373	1	21	-2.0	-95.94	255.66	1.79	-94.15
O=C([O-])C1=CC(S(=O)(=O)[N-]CC(F)F)=C(Br)O1	REAL300011474375	0	21	-2.0	-93.37	249.64	1.09	-92.28
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC(F)F)C([N+](=O)[O-])=C1	REAL300011474379	1	26	-2.0	-90.47	263.91	3.60	-86.87
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]CC(F)F)=C1[N+](=O)[O-]	REAL300011474382	1	26	-2.0	-111.39	269.17	3.88	-107.51
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCOC2)=C1	REAL300011474510	1	32	-2.0	-94.65	293.24	2.18	-92.47
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCCO1	REAL300011474868	1	35	-2.0	-99.55	320.05	2.82	-96.73
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCS(=O)(=O)CC2)=C1	REAL300011474954	1	37	-2.0	-96.89	345.80	1.25	-95.64
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)NS(C)(=O)=O	REAL300011475019	1	38	-2.0	-97.73	346.61	-0.66	-98.39
CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCOC1	REAL300011475124	1	35	-2.0	-94.51	318.59	2.57	-91.94
COCCNC(=O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011475219	1	35	-2.0	-100.53	337.93	-0.64	-101.17
CCN(CC)C(=O)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011475441	1	43	-2.0	-101.38	384.92	4.79	-96.59
CC(C)(C)S(=O)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011475516	1	38	-2.0	-104.29	354.79	2.39	-101.90
CN(C)C(=O)C1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCCC1	REAL300011475666	1	44	-2.0	-103.22	373.71	4.04	-99.18
CC(CS(C)(=O)=O)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011475866	1	33	-2.0	-109.47	321.80	0.54	-108.93
CCS(=O)(=O)CC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011475948	1	36	-2.0	-109.73	343.26	1.43	-108.30
CC1(C)CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCO1	REAL300011476268	1	38	-2.0	-95.15	328.02	3.28	-91.87
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCCOC2)=C1	REAL300011476366	1	35	-2.0	-94.63	318.37	2.79	-91.84
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2C)=NO1	REAL300011476529	1	32	-2.0	-101.91	304.70	1.05	-100.86
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(F)=C2)=NO1	REAL300011476531	1	33	-2.0	-96.63	321.28	0.56	-96.07
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(F)=C2)=NO1	REAL300011476532	1	39	-2.0	-96.48	363.73	1.46	-95.02
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(OCC(=O)[O-])C(Cl)=C2)=NO1	REAL300011476533	1	33	-2.0	-95.72	331.08	1.03	-94.69
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(OCCCC(=O)[O-])C(Cl)=C2)=NO1	REAL300011476534	1	39	-2.0	-96.07	373.53	1.94	-94.13
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)=NO1	REAL300011476537	0	29	-2.0	-104.66	293.97	0.29	-104.37
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Cl)=NO1	REAL300011476538	1	29	-2.0	-103.88	301.58	0.81	-103.07
CC1=NC(C[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C(C(=O)[O-])=C2)=NO1	REAL300011476539	1	29	-2.0	-100.54	311.66	1.06	-99.48
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2Cl)=NO1	REAL300011476540	0	29	-2.0	-100.29	312.21	1.25	-99.04
CC1=NC(C[N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)=NO1	REAL300011476541	0	26	-2.0	-97.95	296.56	-0.07	-98.02
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)=NO1	REAL300011476546	1	29	-2.0	-98.10	289.45	0.28	-97.82
CC1=NC(C[N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=NO1	REAL300011476547	1	29	-2.0	-104.58	305.28	0.82	-103.76
CC1=NC(C[N-]S(=O)(=O)C2=CC(F)=CC(C(=O)[O-])=C2)=NO1	REAL300011476548	1	29	-2.0	-102.61	290.39	0.27	-102.34
CC1=NC(C[N-]S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2C)=NO1	REAL300011476549	1	32	-2.0	-101.83	319.09	1.57	-100.26
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=NO1	REAL300011476550	1	29	-2.0	-96.54	297.04	0.80	-95.74
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Br)=NO1	REAL300011476551	1	29	-2.0	-96.13	300.39	0.96	-95.17
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(F)=C2)=NO1	REAL300011476552	1	29	-2.0	-98.47	288.50	0.25	-98.22
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=NO1	REAL300011476554	1	32	-2.0	-103.60	313.43	1.43	-102.17
CC1=NC(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C(C(=O)[O-])=C2)=NO1	REAL300011476555	1	29	-2.0	-101.48	304.69	0.74	-100.74
CC1=NC(C[N-]S(=O)(=O)C2=CC(F)=C(Cl)C(C(=O)[O-])=C2)=NO1	REAL300011476556	1	29	-2.0	-99.04	302.34	0.65	-98.39
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2F)=NO1	REAL300011476557	1	32	-2.0	-109.92	309.73	0.90	-109.02
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Br)=NO1	REAL300011476558	1	32	-2.0	-108.65	318.58	1.53	-107.12
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=NO1	REAL300011476560	0	29	-2.0	-99.62	295.73	0.33	-99.29
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=NO1	REAL300011476562	1	31	-2.0	-96.01	312.17	0.88	-95.13
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2Br)=NO1	REAL300011476563	1	29	-2.0	-103.48	304.93	0.99	-102.49
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C(Br)=C2)=NO1	REAL300011476565	1	29	-2.0	-96.10	300.21	0.71	-95.39
CC1=NC(C[N-]S(=O)(=O)C2=CC(Br)=C(C)C(C(=O)[O-])=C2)=NO1	REAL300011476566	1	32	-2.0	-106.08	321.83	1.37	-104.71
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(Br)=C2C)=NO1	REAL300011476567	1	32	-2.0	-104.17	317.46	1.52	-102.65
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C=C2F)=NO1	REAL300011476569	1	32	-2.0	-109.58	305.46	0.81	-108.77
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2Cl)=NO1	REAL300011476570	1	32	-2.0	-108.92	315.77	1.37	-107.55
CC1=NC(C[N-]S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2C)=NO1	REAL300011476574	1	32	-2.0	-101.45	314.52	1.48	-99.97
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)=NO1	REAL300011476575	1	29	-2.0	-107.10	297.06	0.81	-106.29
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)C=C2Cl)=NO1	REAL300011476576	1	29	-2.0	-102.72	309.56	1.17	-101.55
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Br)=NO1	REAL300011476583	1	29	-2.0	-106.55	300.40	0.97	-105.58
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)=NO1	REAL300011476586	1	29	-2.0	-108.34	289.46	0.27	-108.07
CC1=NC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=NO1	REAL300011476588	1	26	-2.0	-105.05	277.17	-0.76	-105.81
CC1=NC(C[N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)=NO1	REAL300011476602	0	26	-2.0	-102.66	294.17	-0.01	-102.67
CC1=NC(C[N-]S(=O)(=O)C2=CC(C)=C(C(=O)[O-])S2)=NO1	REAL300011476603	1	29	-2.0	-101.37	293.12	-0.10	-101.47
CC1=NC(C[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=NO1	REAL300011476604	1	26	-2.0	-107.44	275.64	-0.75	-108.19
CC1=NC(C[N-]S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=NO1	REAL300011476607	1	29	-2.0	-105.19	286.99	-0.65	-105.84
CC1=NC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=NO1	REAL300011476608	0	26	-2.0	-99.54	288.18	-0.70	-100.24
CC1=NC(C[N-]S(=O)(=O)C2=C(C)OC(C)=C2C(=O)[O-])=NO1	REAL300011476609	0	32	-2.0	-130.85	296.67	0.62	-130.23
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC(F)(F)F)=NO1	REAL300011476611	1	33	-2.0	-97.90	328.68	0.52	-97.38
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=NO1	REAL300011476614	0	31	-2.0	-96.94	302.43	1.85	-95.09
CC1=NC(C[N-]S(=O)(=O)C2=C(C)SC(C(=O)[O-])=C2)=NO1	REAL300011476615	1	29	-2.0	-108.57	292.59	0.12	-108.45
CC1=NC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=NO1	REAL300011476616	1	26	-2.0	-100.21	276.26	-0.65	-100.86
CC1=NC(C[N-]S(=O)(=O)C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)=NO1	REAL300011476618	1	31	-2.0	-104.73	308.20	1.31	-103.42
CC1=NC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=NO1	REAL300011476621	0	31	-2.0	-117.59	307.71	2.10	-115.49
CC1=NC(C[N-]S(=O)(=O)C2=C(C(C)(C)C)SC(C(=O)[O-])=C2)=NO1	REAL300011476622	1	38	-2.0	-108.65	333.51	2.81	-105.84
CC1=NC(C[N-]S(=O)(=O)C2=CC(Cl)=C(C)C(C(=O)[O-])=C2)=NO1	REAL300011476623	1	32	-2.0	-105.53	317.73	1.28	-104.25
CC1=NC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)=NO1	REAL300011476624	1	29	-2.0	-114.81	287.60	0.23	-114.58
CC1=NC(C[N-]S(=O)(=O)C2=CC(F)=C(C)C(C(=O)[O-])=C2)=NO1	REAL300011476625	1	32	-2.0	-103.66	308.92	0.88	-102.78
COC[C@@H](C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011476749	1	31	-2.0	-94.96	292.77	1.86	-93.10
O=C([O-])C1=CC(Br)=C(S(=O)(=O)[N-]CCCF)S1	REAL300011476812	1	24	-2.0	-89.40	273.17	2.32	-87.08
O=C([O-])C1=CC(S(=O)(=O)[N-]CCCF)=C(Br)O1	REAL300011476847	1	24	-2.0	-91.21	264.78	1.69	-89.52
CC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC(C)O1	REAL300011476886	1	38	-2.0	-95.04	328.70	3.39	-91.65
CC1OCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011476982	1	32	-2.0	-91.28	298.91	2.14	-89.14
CC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CO1	REAL300011477072	1	32	-2.0	-92.19	297.30	2.21	-89.98
CC1(C)C([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C2CCOC21	REAL300011477696	1	39	-2.0	-97.12	340.07	4.58	-92.54
CC1=NOC(C)=C1CC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011477827	1	39	-2.0	-93.36	358.32	5.29	-88.07
CC1=C(C)SC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)=N1	REAL300011477906	1	33	-2.0	-98.08	329.64	3.25	-94.83
CC1=C(C)SC(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)=N1	REAL300011477948	1	30	-2.0	-97.23	322.08	2.22	-95.01
CC1=C(C)SC(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])=N1	REAL300011477953	1	35	-2.0	-94.16	336.32	4.76	-89.40
CC1=C(C)SC(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])=N1	REAL300011477960	1	35	-2.0	-118.43	341.61	5.02	-113.41
CSCC(C)(O)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011478153	1	35	-2.0	-94.52	337.26	1.19	-93.33
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCOCC2CCOCC2)=C1	REAL300011478272	1	45	-2.0	-94.31	395.60	3.61	-90.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCOCC2CCOC2)=C1	REAL300011478329	1	42	-2.0	-94.84	377.39	2.80	-92.04
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1CCOCC1	REAL300011478410	1	38	-2.0	-95.38	329.37	3.68	-91.70
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCOCC2)=C1	REAL300011478603	1	35	-2.0	-93.47	304.53	2.58	-90.89
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCOC2CCOCC2)=C1	REAL300011478764	1	42	-2.0	-94.56	374.38	2.90	-91.66
CC1=CN=C(C[N-]S(=O)(=O)C2=C(Br)C=C(C(=O)[O-])S2)S1	REAL300011478828	1	27	-2.0	-94.99	311.70	2.34	-92.65
CC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)S1	REAL300011478845	1	30	-2.0	-96.41	310.87	2.74	-93.67
CC1=CN=C(C[N-]S(=O)(=O)C2=C(Br)SC(C(=O)[O-])=C2)S1	REAL300011478886	1	27	-2.0	-98.53	309.30	2.40	-96.13
CC1=CN=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)S1	REAL300011478892	1	27	-2.0	-95.80	303.31	1.71	-94.09
CC1=CN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300011478898	1	32	-2.0	-92.66	317.56	4.25	-88.41
CC1=CN=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])S1	REAL300011478905	1	32	-2.0	-116.74	322.84	4.51	-112.23
CCC1=CN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)S1	REAL300011479025	1	33	-2.0	-96.19	332.36	3.52	-92.67
CCC1=CN=C(C[N-]S(=O)(=O)C2=C(Br)OC(C(=O)[O-])=C2)S1	REAL300011479067	1	30	-2.0	-95.66	324.79	2.50	-93.16
CCC1=CN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2[N+](=O)[O-])S1	REAL300011479072	1	35	-2.0	-93.92	341.63	5.06	-88.86
CCC1=CN=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2[N+](=O)[O-])S1	REAL300011479079	1	35	-2.0	-116.41	344.33	5.29	-111.12
CSC(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011479189	1	31	-2.0	-96.58	306.63	3.70	-92.88
CC(C)C1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CCO1	REAL300011479437	1	41	-2.0	-93.14	349.56	4.50	-88.64
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCOC(C3CC3)C2)=C1	REAL300011479522	1	39	-2.0	-95.13	346.04	4.46	-90.67
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCOC3(CCCC3)C2)=C1	REAL300011479603	1	42	-2.0	-96.05	352.19	4.58	-91.47
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCCOC2CCOC2)=C1	REAL300011479681	1	39	-2.0	-93.60	356.70	2.08	-91.52
CC(COC1CCOC1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011479765	1	39	-2.0	-100.89	350.07	2.29	-98.60
C=CCCOCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011479882	1	35	-2.0	-96.17	334.02	3.22	-92.95
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(F)C=C1F)C1=NC(C(C)(C)C)=NO1	REAL300011480309	0	41	-2.0	-96.76	371.93	2.82	-93.94
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=NC(C(C)(C)C)=NO1	REAL300011480314	1	41	-2.0	-91.98	367.39	2.80	-89.18
CC([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)[O-])=C1)C1=NC(C(C)(C)C)=NO1	REAL300011480315	1	41	-2.0	-95.68	368.34	2.79	-92.89
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=NC(C(C)(C)C)=NO1	REAL300011480316	1	41	-2.0	-90.49	374.98	3.32	-87.17
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C(F)=C1)C1=NC(C(C)(C)C)=NO1	REAL300011480317	1	41	-2.0	-92.40	366.44	2.77	-89.63
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)C1=NC(C(C)(C)C)=NO1	REAL300011480320	0	41	-2.0	-92.49	373.68	2.85	-89.64
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=NC(C(C)(C)C)=NO1	REAL300011480322	1	43	-2.0	-89.99	390.12	3.39	-86.60
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1Cl)C1=NC(C(C)(C)C)=NO1	REAL300011480326	1	41	-2.0	-98.85	375.00	3.32	-95.53
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C1=NC(C(C)(C)C)=NO1	REAL300011480334	1	41	-2.0	-99.95	367.40	2.79	-97.16
CC([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=NC(C(C)(C)C)=NO1	REAL300011480336	1	38	-2.0	-98.40	355.11	1.75	-96.65
CC([N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=NC(C(C)(C)C)=NO1	REAL300011480348	1	38	-2.0	-100.39	353.58	1.76	-98.63
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1[N+](=O)[O-])C1=NC(C(C)(C)C)=NO1	REAL300011480355	0	43	-2.0	-90.82	382.96	4.36	-86.46
CC([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=NC(C(C)(C)C)=NO1	REAL300011480357	1	38	-2.0	-94.07	354.19	1.85	-92.22
CC([N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C1=NC(C(C)(C)C)=NO1	REAL300011480359	1	43	-2.0	-102.77	388.50	3.81	-98.96
CC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1[N+](=O)[O-])C1=NC(C(C)(C)C)=NO1	REAL300011480361	0	43	-2.0	-112.27	385.66	4.61	-107.66
CC([N-]S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1F)C1=NC(C(C)(C)C)=NO1	REAL300011480362	1	41	-2.0	-109.17	365.58	2.75	-106.42
CS(=O)(=O)CC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011480550	1	37	-2.0	-108.79	356.61	1.45	-107.34
CC(C)(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F)S(C)(=O)=O	REAL300011480621	1	36	-2.0	-108.21	338.18	0.87	-107.34
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)S1	REAL300011480803	1	38	-2.0	-100.44	363.94	3.38	-97.06
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2F)S1	REAL300011480808	1	38	-2.0	-96.57	359.41	3.37	-93.20
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2Cl)S1	REAL300011480810	1	38	-2.0	-94.67	366.99	3.89	-90.78
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)S1	REAL300011480814	0	38	-2.0	-96.56	365.69	3.43	-93.13
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2Cl)S1	REAL300011480819	1	38	-2.0	-102.46	367.01	3.90	-98.56
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)S1	REAL300011480827	1	38	-2.0	-103.97	359.42	3.36	-100.61
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CS2)S1	REAL300011480829	1	35	-2.0	-101.52	347.12	2.33	-99.19
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CSC(C(=O)[O-])=C2)S1	REAL300011480841	1	35	-2.0	-106.46	345.58	2.34	-104.12
CC(C)(C)C1=NN=C(C[N-]S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2F)S1	REAL300011480852	1	38	-2.0	-115.80	357.60	3.33	-112.47
COCCC1(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1	REAL300011480883	1	38	-2.0	-96.15	350.06	3.87	-92.28
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCCC3OCCC32)=C1	REAL300011480974	1	39	-2.0	-93.60	337.21	3.82	-89.78
C=C(C)COCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011481066	1	35	-2.0	-97.62	332.03	3.31	-94.31
CN1C(=O)C=CC2=C1CCCC2[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011481146	1	41	-2.0	-100.69	364.34	5.24	-95.45
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CCOC3(CCOCC3)C2)=C1	REAL300011481195	1	43	-2.0	-95.06	359.03	2.87	-92.19
CC1=NOC(C)=C1C(C)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011481256	1	39	-2.0	-93.86	354.05	4.74	-89.12
CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011481323	1	39	-2.0	-97.52	354.84	1.94	-95.58
CS(=O)(=O)N1CCC(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011481371	1	39	-2.0	-99.87	367.57	0.70	-99.17
CCOC1CC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1OC	REAL300011481690	1	39	-2.0	-95.74	357.58	2.38	-93.36
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=CC(=O)N3C=CC=CC3=N2)=C1	REAL300011481993	1	36	-2.0	-107.17	349.05	4.60	-102.57
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2(O)CCCOC2)=C1	REAL300011482053	1	39	-2.0	-94.27	343.96	0.58	-93.69
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2CC3(CCC3)C2)=C1	REAL300011482145	1	35	-2.0	-95.91	320.42	5.11	-90.80
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2CCC(C3=CC=CC=C3)O2)=C1	REAL300011482407	1	42	-2.0	-101.42	381.23	5.98	-95.44
O=C([O-])C1=CC(S(=O)(=O)[N-][C@H]2C3=CC=CC=C3C[C@H]2F)=C(F)C=C1F	REAL300011482528	1	35	-2.0	-105.48	331.65	6.17	-99.31
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@H]2C3=CC=CC=C3C[C@H]2F)=C1	REAL300011482544	0	35	-2.0	-99.59	327.29	6.31	-93.28
CC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(F)C=C2F)CC1(F)Cl	REAL300011482606	1	34	-2.0	-99.50	331.38	4.94	-94.56
CC1(CC[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)CC1(F)Cl	REAL300011482622	1	34	-2.0	-94.64	333.13	4.98	-89.66
CS(=O)(=O)N1CCC([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011482693	1	36	-2.0	-96.23	345.11	0.11	-96.12
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)=C1	REAL300011483105	1	33	-2.0	-96.75	298.87	2.57	-94.18
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=C3SC=CC3=CC=C2)=C1	REAL300011483276	1	34	-2.0	-101.14	340.40	6.13	-95.01
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2(C3=CC=CC=C3F)CCC2)=C1	REAL300011483338	1	41	-2.0	-98.73	370.85	7.14	-91.59
NC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2F)C1	REAL300011483528	1	32	-2.0	-98.73	308.66	-0.10	-98.83
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2(O)CCOC2)=C1	REAL300011483623	1	36	-2.0	-92.90	328.01	-0.61	-93.51
CC1SCCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011483985	1	32	-2.0	-89.98	306.39	4.30	-85.68
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NC=C3COCCC3=N2)=C1	REAL300011484675	1	37	-2.0	-103.92	348.05	2.07	-101.85
CC(COCC1CC1)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011484753	1	38	-2.0	-96.39	346.30	4.42	-91.97
CC1=CC=CC2=NC(CC[N-]S(=O)(=O)C3=CC(C(=O)[O-])=CC(F)=C3F)=CN21	REAL300011484931	1	40	-2.0	-108.85	373.18	6.59	-102.26
O=C([O-])C1=CC(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)=C(F)C=C1F	REAL300011484971	1	37	-2.0	-99.19	331.47	6.04	-93.15
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)=C1	REAL300011484983	0	37	-2.0	-94.36	333.23	6.08	-88.28
O=C([O-])C1=CC=CC(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)=C1[N+](=O)[O-]	REAL300011485027	1	39	-2.0	-105.78	340.45	7.62	-98.16
CC(C)OCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1F	REAL300011485635	1	34	-2.0	-96.30	319.98	2.61	-93.69
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC(=O)NC2=CC=C(F)C=C2)=C1	REAL300011485810	1	35	-2.0	-97.63	344.57	3.26	-94.37
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=NN=C3C=CC=CN32)=C1	REAL300011485873	1	36	-2.0	-102.84	347.25	5.90	-96.94
O=C([O-])C(=O)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300011486826	1	35	-2.0	-106.34	326.07	4.22	-102.12
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)C(=O)[O-]	REAL300011486907	1	38	-2.0	-103.24	341.15	6.13	-97.11
CC1=C(C(=O)[O-])SC(CNCC2=CC([N+](=O)[O-])=CC=C2[O-])=N1	REAL300011499118	1	33	-2.0	-87.79	316.50	3.86	-83.93
CC1=C(C(=O)[O-])SC(CNCC2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300011499126	1	31	-2.0	-88.53	320.81	4.27	-84.26
CC1=C(C(=O)[O-])SC(CNCC2=CC(Cl)=CC(Br)=C2[O-])=N1	REAL300011499537	1	31	-2.0	-87.80	325.19	4.39	-83.41
O=C([O-])C1=CC=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300011551591	0	29	-2.0	-95.94	292.76	6.64	-89.30
O=C([O-])C1=CC=CC(NCC2=CC(Cl)=CC(Br)=C2[O-])=C1	REAL300011551871	0	29	-2.0	-95.09	297.15	6.76	-88.33
O=C([O-])C1=CC=CC(NCC2=CC(Br)=CC(F)=C2[O-])=C1	REAL300011551872	1	29	-2.0	-99.94	287.52	6.27	-93.67
COC(=O)C1=CC2=C(C=C(CNC3=CC=CC(C(=O)[O-])=C3)O2)[N-]1	REAL300011551974	1	35	-2.0	-97.69	318.69	6.00	-91.69
O=C([O-])C(NCC1=C([O-])C=CC(F)=C1Br)C1=CSC=C1	REAL300011568712	1	29	-2.0	-101.40	295.85	5.22	-96.18
O=C([O-])C(NCC1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC=CS1	REAL300011589597	1	31	-2.0	-105.92	299.23	5.50	-100.42
O=C([O-])C(NCC1=C([O-])C=CC(F)=C1Br)C1=CC=CS1	REAL300011590080	1	29	-2.0	-113.20	296.84	5.29	-107.91
CC1=CC=C(C(=O)[O-])C=C1NCC1=C([O-])C=CC(Cl)=C1F	REAL300011621020	1	32	-2.0	-103.74	298.92	6.92	-96.82
CC1=CC=C(C(=O)[O-])C=C1NCC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300011621093	0	34	-2.0	-95.73	306.00	7.03	-88.70
CC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011621101	0	32	-2.0	-99.61	310.44	7.43	-92.18
CC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Br)=C1[O-]	REAL300011621435	0	32	-2.0	-98.84	314.83	7.55	-91.29
CC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Br)=CC(F)=C1[O-]	REAL300011621436	1	32	-2.0	-103.13	305.20	7.06	-96.07
O=C([O-])C1=CC(NCC2=C([O-])C=CC(Cl)=C2F)=CC=C1F	REAL300011624033	1	29	-2.0	-94.87	285.68	6.16	-88.71
O=C([O-])C1=CC(NCC2=CC([N+](=O)[O-])=CC=C2[O-])=CC=C1F	REAL300011624107	0	31	-2.0	-92.48	292.77	6.28	-86.20
O=C([O-])C1=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1F	REAL300011624115	0	29	-2.0	-95.98	297.31	6.67	-89.31
O=C([O-])C1=CC(NCC2=CC(Cl)=CC(Br)=C2[O-])=CC=C1F	REAL300011624425	0	29	-2.0	-95.12	301.70	6.79	-88.33
O=C([O-])C1=CC(NCC2=CC(Br)=CC(F)=C2[O-])=CC=C1F	REAL300011624426	1	29	-2.0	-99.93	292.07	6.30	-93.63
COC(=O)C1=CC2=C(C=C(CNC3=CC=C(F)C(C(=O)[O-])=C3)O2)[N-]1	REAL300011624548	1	35	-2.0	-99.16	323.24	6.04	-93.12
COC1=CC=C(C(=O)[O-])C=C1NCC1=C([O-])C=CC(Cl)=C1F	REAL300011625777	1	33	-2.0	-103.77	309.41	5.56	-98.21
COC1=CC=C(C(=O)[O-])C=C1NCC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300011625851	0	35	-2.0	-96.21	316.49	5.68	-90.53
COC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011625859	0	33	-2.0	-99.88	320.93	6.08	-93.80
COC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Br)=C1[O-]	REAL300011626257	0	33	-2.0	-99.14	325.32	6.19	-92.95
COC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Br)=CC(F)=C1[O-]	REAL300011626258	1	33	-2.0	-103.51	315.69	5.71	-97.80
COC1=CC=C(C(=O)[O-])C=C1NCC1=CC(F)=CC(F)=C1[O-]	REAL300011626259	1	33	-2.0	-102.54	300.80	5.15	-97.39
CC1=C(NCC2=C([O-])C=CC(Cl)=C2F)C=CC=C1C(=O)[O-]	REAL300011626854	1	32	-2.0	-94.46	297.36	6.89	-87.57
CC1=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=CC=C1C(=O)[O-]	REAL300011626927	0	34	-2.0	-91.62	304.44	7.00	-84.62
CC1=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=CC=C1C(=O)[O-]	REAL300011626935	0	32	-2.0	-94.69	308.88	7.40	-87.29
CC1=C(NCC2=CC(Cl)=CC(Br)=C2[O-])C=CC=C1C(=O)[O-]	REAL300011627269	0	32	-2.0	-93.97	313.27	7.52	-86.45
CC1=C(NCC2=CC(Br)=CC(F)=C2[O-])C=CC=C1C(=O)[O-]	REAL300011627270	1	32	-2.0	-98.58	303.64	7.03	-91.55
COC(=O)C1=CC2=C(C=C(CNC3=CC=CC(C(=O)[O-])=C3C)O2)[N-]1	REAL300011627385	1	38	-2.0	-95.43	330.90	6.69	-88.74
CC1=CC(C)=C(C(=O)[O-])C=C1NCC1=C([O-])C=CC(Cl)=C1F	REAL300011631434	1	35	-2.0	-104.34	314.91	7.48	-96.86
CC1=CC(C)=C(C(=O)[O-])C=C1NCC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300011631508	0	37	-2.0	-96.10	322.00	7.58	-88.52
CC1=CC(C)=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011631516	0	35	-2.0	-99.88	326.44	7.98	-91.90
CC1=CC(C)=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Br)=C1[O-]	REAL300011631900	0	35	-2.0	-99.19	330.83	8.10	-91.09
CC1=CC(C)=C(C(=O)[O-])C=C1NCC1=CC(Br)=CC(F)=C1[O-]	REAL300011631901	1	35	-2.0	-103.47	321.20	7.61	-95.86
CC1=CC(C)=C(C(=O)[O-])C=C1NCC1=CC(F)=CC(F)=C1[O-]	REAL300011631902	1	35	-2.0	-102.46	306.31	7.05	-95.41
COC(=O)C1=CC2=C(C=C(CNC3=CC(C(=O)[O-])=C(C)C=C3C)O2)[N-]1	REAL300011632037	1	41	-2.0	-95.37	352.50	7.34	-88.03
CC1=CC=C(NCC2=C([O-])C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300011633328	1	32	-2.0	-95.44	297.14	6.67	-88.77
CC1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=C1C(=O)[O-]	REAL300011633401	0	34	-2.0	-92.49	304.21	6.78	-85.71
CC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=C1C(=O)[O-]	REAL300011633409	0	32	-2.0	-96.02	308.75	7.17	-88.85
CC1=CC=C(NCC2=CC(Cl)=CC(Br)=C2[O-])C=C1C(=O)[O-]	REAL300011633743	0	32	-2.0	-95.20	313.14	7.29	-87.91
CC1=CC=C(NCC2=CC(Br)=CC(F)=C2[O-])C=C1C(=O)[O-]	REAL300011633744	1	32	-2.0	-100.03	303.50	6.80	-93.23
COC(=O)C1=CC2=C(C=C(CNC3=CC=C(C)C(C(=O)[O-])=C3)O2)[N-]1	REAL300011633859	1	38	-2.0	-97.42	334.69	6.54	-90.88
O=C([O-])C1=CC(Br)=CC(NCC2=C([O-])C=CC(Cl)=C2F)=C1	REAL300011634920	1	29	-2.0	-89.97	302.42	6.74	-83.23
O=C([O-])C1=CC(Br)=CC(NCC2=CC([N+](=O)[O-])=CC=C2[O-])=C1	REAL300011634972	0	31	-2.0	-86.89	309.51	6.85	-80.04
O=C([O-])C1=CC(Br)=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300011634976	0	29	-2.0	-90.30	314.06	7.24	-83.06
O=C([O-])C1=CC(Br)=CC(NCC2=CC(F)=CC(F)=C2[O-])=C1	REAL300011635341	1	29	-2.0	-93.53	293.93	6.33	-87.20
COC(=O)C1=CC2=C(C=C(CNC3=CC(Br)=CC(C(=O)[O-])=C3)O2)[N-]1	REAL300011635482	1	35	-2.0	-92.16	339.98	6.61	-85.55
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=C([O-])C=CC(Cl)=C1F	REAL300011636860	1	39	-2.0	-104.56	349.17	7.11	-97.45
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300011636919	0	41	-2.0	-96.68	356.25	7.23	-89.45
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011636923	0	39	-2.0	-100.48	360.68	7.63	-92.85
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Br)=CC(F)=C1[O-]	REAL300011637262	1	39	-2.0	-104.33	355.46	7.26	-97.07
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC(F)=CC(F)=C1[O-]	REAL300011637263	1	39	-2.0	-103.07	340.55	6.70	-96.37
COC1=CC(C(=O)[O-])=CC(NCC2=C([O-])C=CC(Cl)=C2F)=C1OC	REAL300011637765	1	37	-2.0	-99.02	342.56	5.56	-93.46
COC1=CC(C(=O)[O-])=CC(NCC2=CC([N+](=O)[O-])=CC=C2[O-])=C1OC	REAL300011637833	0	39	-2.0	-91.82	349.65	5.67	-86.15
COC1=CC(C(=O)[O-])=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=C1OC	REAL300011637839	0	37	-2.0	-96.96	354.09	6.07	-90.89
COC1=CC(C(=O)[O-])=CC(NCC2=CC(F)=CC(F)=C2[O-])=C1OC	REAL300011638251	1	37	-2.0	-99.68	333.96	5.15	-94.53
COC(=O)C1=CC2=C(C=C(CNC3=CC(C(=O)[O-])=CC(OC)=C3OC)O2)[N-]1	REAL300011638410	1	43	-2.0	-92.40	380.12	5.43	-86.97
CCC1=CC=C(C(=O)[O-])C=C1NCC1=C([O-])C=CC(Cl)=C1F	REAL300011638858	1	35	-2.0	-104.23	320.60	7.68	-96.55
CCC1=CC=C(C(=O)[O-])C=C1NCC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300011638932	0	37	-2.0	-96.17	327.68	7.78	-88.39
CCC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011638940	0	35	-2.0	-99.70	332.12	8.18	-91.52
CCC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Br)=C1[O-]	REAL300011639324	0	35	-2.0	-98.89	336.51	8.30	-90.59
CCC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Br)=CC(F)=C1[O-]	REAL300011639325	1	35	-2.0	-103.16	326.88	7.81	-95.35
CCC1=CC=C(C(=O)[O-])C=C1NCC1=CC(F)=CC(F)=C1[O-]	REAL300011639326	1	35	-2.0	-102.27	312.00	7.26	-95.01
O=C([O-])C1=CC(NCC2=C([O-])C=CC(Cl)=C2F)=CC2=C1OCCO2	REAL300011640422	1	35	-2.0	-106.18	323.34	5.90	-100.28
O=C([O-])C1=CC(NCC2=CC([N+](=O)[O-])=CC=C2[O-])=CC2=C1OCCO2	REAL300011640491	0	37	-2.0	-98.80	330.44	6.00	-92.80
O=C([O-])C1=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=CC2=C1OCCO2	REAL300011640497	0	35	-2.0	-101.82	334.99	6.41	-95.41
O=C([O-])C1=CC(NCC2=CC(Br)=CC(F)=C2[O-])=CC2=C1OCCO2	REAL300011640921	1	35	-2.0	-105.33	329.75	6.04	-99.29
O=C([O-])C1=CC(NCC2=CC(F)=CC(F)=C2[O-])=CC2=C1OCCO2	REAL300011640922	1	35	-2.0	-104.46	314.86	5.49	-98.97
COC(=O)C1=CC2=C(C=C(CNC3=CC4=C(OCCO4)C(C(=O)[O-])=C3)O2)[N-]1	REAL300011641085	1	41	-2.0	-99.39	360.90	5.76	-93.63
CC1=C(Br)C=C(NCC2=C([O-])C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300011643649	1	32	-2.0	-89.98	314.97	7.19	-82.79
CC1=C(Br)C=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=C1C(=O)[O-]	REAL300011643689	0	34	-2.0	-88.22	326.02	7.40	-80.82
CC1=C(Br)C=C(NCC2=CC(F)=CC(F)=C2[O-])C=C1C(=O)[O-]	REAL300011643987	1	32	-2.0	-94.91	310.45	6.87	-88.04
CC(C)OC1=C(NCC2=C([O-])C=CC(Cl)=C2F)C=CC=C1C(=O)[O-]	REAL300011646794	1	39	-2.0	-97.48	341.70	8.32	-89.16
CC(C)OC1=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=CC=C1C(=O)[O-]	REAL300011646852	0	41	-2.0	-91.27	350.57	8.28	-82.99
CC(C)OC1=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=CC=C1C(=O)[O-]	REAL300011646856	0	39	-2.0	-93.75	353.23	8.82	-84.93
CC(C)OC1=C(NCC2=CC(Br)=CC(F)=C2[O-])C=CC=C1C(=O)[O-]	REAL300011647153	1	39	-2.0	-102.16	349.75	8.32	-93.84
CC(C)OC1=C(NCC2=CC(F)=CC(F)=C2[O-])C=CC=C1C(=O)[O-]	REAL300011647154	1	39	-2.0	-96.85	333.10	7.90	-88.95
COC(=O)C1=CC2=C(C=C(CNC3=CC=CC(C(=O)[O-])=C3OC(C)C)O2)[N-]1	REAL300011647279	1	45	-2.0	-98.18	380.99	8.05	-90.13
O=C([O-])CC1=CC=C(NCC2=C([O-])C=CC(Cl)=C2F)C=C1	REAL300011649220	1	32	-2.0	-92.87	303.30	6.94	-85.93
O=C([O-])CC1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=C1	REAL300011649293	0	34	-2.0	-85.46	310.39	7.04	-78.42
O=C([O-])CC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300011649301	0	32	-2.0	-91.94	314.83	7.44	-84.50
O=C([O-])CC1=CC=C(NCC2=CC(Cl)=CC(Br)=C2[O-])C=C1	REAL300011649635	0	32	-2.0	-91.09	319.21	7.56	-83.53
O=C([O-])CC1=CC=C(NCC2=CC(Br)=CC(F)=C2[O-])C=C1	REAL300011649636	1	32	-2.0	-95.90	309.59	7.07	-88.83
COC(=O)C1=CC2=C(C=C(CNC3=CC=C(CC(=O)[O-])C=C3)O2)[N-]1	REAL300011649751	1	38	-2.0	-91.04	340.86	6.80	-84.24
O=C([O-])CC1=CC=CC(NCC2=C([O-])C=CC(Cl)=C2F)=C1	REAL300011651702	1	32	-2.0	-92.59	303.31	6.92	-85.67
O=C([O-])CC1=CC=CC(NCC2=CC([N+](=O)[O-])=CC=C2[O-])=C1	REAL300011651775	0	34	-2.0	-92.04	310.39	7.03	-85.01
O=C([O-])CC1=CC=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300011651783	0	32	-2.0	-96.26	314.93	7.42	-88.84
O=C([O-])CC1=CC=CC(NCC2=CC(Cl)=CC(Br)=C2[O-])=C1	REAL300011652117	0	32	-2.0	-95.34	319.32	7.54	-87.80
O=C([O-])CC1=CC=CC(NCC2=CC(Br)=CC(F)=C2[O-])=C1	REAL300011652118	1	32	-2.0	-100.51	309.69	7.05	-93.46
COC(=O)C1=CC2=C(C=C(CNC3=CC=CC(CC(=O)[O-])=C3)O2)[N-]1	REAL300011652233	1	38	-2.0	-94.77	340.86	6.79	-87.98
O=C([O-])CCCC1=CC=C(NCC2=C([O-])C=CC(Cl)=C2F)C=C1	REAL300011655249	1	38	-2.0	-90.95	346.19	8.52	-82.43
O=C([O-])CCCC1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=C1	REAL300011655324	0	40	-2.0	-84.19	353.29	8.63	-75.56
O=C([O-])CCCC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300011655331	0	38	-2.0	-90.02	357.72	9.03	-80.99
O=C([O-])CCCC1=CC=C(NCC2=CC(Cl)=CC(Br)=C2[O-])C=C1	REAL300011655759	0	38	-2.0	-89.17	362.11	9.15	-80.02
O=C([O-])CCCC1=CC=C(NCC2=CC(Br)=CC(F)=C2[O-])C=C1	REAL300011655760	1	38	-2.0	-94.07	352.48	8.66	-85.41
O=C([O-])CCCC1=CC=C(NCC2=CC(F)=CC(F)=C2[O-])C=C1	REAL300011655761	1	38	-2.0	-93.43	337.60	8.10	-85.33
COC(=O)C1=CC2=C(C=C(CNC3=CC=C(CCCC(=O)[O-])C=C3)O2)[N-]1	REAL300011655916	1	44	-2.0	-90.66	383.75	8.39	-82.27
CC1=CC(NCC2=C([O-])C=CC(Cl)=C2F)=CC=C1N1C=CC=C1C(=O)[O-]	REAL300011661208	1	40	-2.0	-94.62	358.10	9.30	-85.32
CC1=CC(NCC2=CC([N+](=O)[O-])=CC=C2[O-])=CC=C1N1C=CC=C1C(=O)[O-]	REAL300011661259	0	42	-2.0	-94.82	365.43	9.59	-85.23
CC1=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1N1C=CC=C1C(=O)[O-]	REAL300011661263	0	40	-2.0	-99.07	369.98	9.98	-89.09
CC1=CC(NCC2=CC(F)=CC(F)=C2[O-])=CC=C1N1C=CC=C1C(=O)[O-]	REAL300011661580	1	40	-2.0	-102.52	349.86	9.07	-93.45
COC(=O)C1=CC2=C(C=C(CNC3=CC=C(N4C=CC=C4C(=O)[O-])C(C)=C3)O2)[N-]1	REAL300011661719	1	46	-2.0	-98.00	395.90	9.35	-88.65
O=C([O-])C1=CC(NCC2=C([O-])C=CC(Cl)=C2F)=CC2=CC=CC=C21	REAL300011662967	1	35	-2.0	-104.27	322.30	8.25	-96.02
O=C([O-])C1=CC(NCC2=CC([N+](=O)[O-])=CC=C2[O-])=CC2=CC=CC=C21	REAL300011663038	0	37	-2.0	-96.35	329.40	8.38	-87.97
O=C([O-])C1=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=CC2=CC=CC=C21	REAL300011663045	0	35	-2.0	-99.39	333.94	8.77	-90.62
O=C([O-])C1=CC(NCC2=CC(Br)=CC(F)=C2[O-])=CC2=CC=CC=C21	REAL300011663465	1	35	-2.0	-102.84	328.70	8.40	-94.44
O=C([O-])C1=CC(NCC2=CC(F)=CC(F)=C2[O-])=CC2=CC=CC=C21	REAL300011663466	1	35	-2.0	-102.06	313.82	7.86	-94.20
COC(=O)C1=CC2=C(C=C(CNC3=CC4=CC=CC=C4C(C(=O)[O-])=C3)O2)[N-]1	REAL300011663621	1	41	-2.0	-96.29	359.87	8.14	-88.15
O=C([O-])C1=CC(NCC2=C([O-])C=CC(Cl)=C2F)=CC=C1OCC(F)(F)F	REAL300011666833	1	36	-2.0	-100.07	349.87	7.56	-92.51
O=C([O-])C1=CC(NCC2=CC([N+](=O)[O-])=CC=C2[O-])=CC=C1OCC(F)(F)F	REAL300011666868	0	38	-2.0	-97.76	356.96	7.68	-90.08
O=C([O-])C1=CC(NCC2=CC(F)=CC(F)=C2[O-])=CC=C1OCC(F)(F)F	REAL300011667146	1	36	-2.0	-104.60	341.38	7.15	-97.45
O=C([O-])CCOC1=CC=C(NCC2=C([O-])C=CC(Cl)=C2F)C=C1	REAL300011668488	1	36	-2.0	-84.12	333.18	6.55	-77.57
O=C([O-])CCOC1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=C1	REAL300011668562	0	38	-2.0	-80.61	340.28	6.65	-73.96
O=C([O-])CCOC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300011668569	0	36	-2.0	-83.53	344.71	7.05	-76.48
O=C([O-])CCOC1=CC=C(NCC2=CC(Br)=CC(F)=C2[O-])C=C1	REAL300011668998	1	36	-2.0	-87.34	339.47	6.68	-80.66
O=C([O-])CCOC1=CC=C(NCC2=CC(F)=CC(F)=C2[O-])C=C1	REAL300011668999	1	36	-2.0	-86.86	324.59	6.13	-80.73
CC(C)(C(=O)[O-])C1=CC=C(NCC2=C([O-])C=CC(Cl)=C2F)C=C1	REAL300011676361	1	38	-2.0	-90.65	335.99	7.83	-82.82
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=C1	REAL300011676436	0	40	-2.0	-87.26	343.09	7.94	-79.32
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300011676443	0	38	-2.0	-89.12	347.53	8.33	-80.79
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC(Cl)=CC(Br)=C2[O-])C=C1	REAL300011676871	0	38	-2.0	-88.34	351.92	8.45	-79.89
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC(Br)=CC(F)=C2[O-])C=C1	REAL300011676872	1	38	-2.0	-92.19	340.54	7.93	-84.26
CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC(F)=CC(F)=C2[O-])C=C1	REAL300011676873	1	38	-2.0	-91.57	325.65	7.37	-84.20
COC(=O)C1=CC2=C(C=C(CNC3=CC=C(C(C)(C)C(=O)[O-])C=C3)O2)[N-]1	REAL300011677028	1	44	-2.0	-92.75	373.55	7.69	-85.06
CC1=NN=NN1C1=CC(NCC2=C([O-])C=CC(Cl)=C2F)=CC=C1C(=O)[O-]	REAL300011677416	1	37	-2.0	-94.44	347.41	6.61	-87.83
CC1=NN=NN1C1=CC(NCC2=CC([N+](=O)[O-])=CC=C2[O-])=CC=C1C(=O)[O-]	REAL300011677467	0	39	-2.0	-91.32	354.66	6.73	-84.59
CC1=NN=NN1C1=CC(NCC2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1C(=O)[O-]	REAL300011677471	0	37	-2.0	-94.17	361.50	7.04	-87.13
CC1=NN=NN1C1=CC(NCC2=CC(F)=CC(F)=C2[O-])=CC=C1C(=O)[O-]	REAL300011677783	1	37	-2.0	-97.56	341.38	6.12	-91.44
COC(=O)C1=CC2=C(C=C(CNC3=CC=C(C(=O)[O-])C(N4N=NN=C4C)=C3)O2)[N-]1	REAL300011677920	1	43	-2.0	-97.98	387.43	6.41	-91.57
COC1=CC=C(CCC(=O)[O-])C=C1NCC1=C([O-])C=CC(Cl)=C1F	REAL300011678260	1	39	-2.0	-95.54	353.10	7.13	-88.41
COC1=CC=C(CCC(=O)[O-])C=C1NCC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300011678319	0	41	-2.0	-90.16	360.17	7.25	-82.91
COC1=CC=C(CCC(=O)[O-])C=C1NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011678323	0	39	-2.0	-93.82	364.61	7.64	-86.18
COC1=CC=C(CCC(=O)[O-])C=C1NCC1=CC(Br)=CC(F)=C1[O-]	REAL300011678662	1	39	-2.0	-97.74	359.37	7.27	-90.47
COC1=CC=C(CCC(=O)[O-])C=C1NCC1=CC(F)=CC(F)=C1[O-]	REAL300011678663	1	39	-2.0	-96.93	344.49	6.72	-90.21
COC(=O)C1=CC2=C(C=C(CNC3=CC(CCC(=O)[O-])=CC=C3OC)O2)[N-]1	REAL300011678790	1	45	-2.0	-92.05	390.65	7.00	-85.05
CC(CC(=O)[O-])C1=CC=C(NCC2=C([O-])C=CC(Cl)=C2F)C=C1	REAL300011680762	1	38	-2.0	-86.05	338.09	8.07	-77.98
CC(CC(=O)[O-])C1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=C1	REAL300011680837	0	40	-2.0	-82.60	345.18	8.18	-74.42
CC(CC(=O)[O-])C1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300011680844	0	38	-2.0	-85.88	349.62	8.58	-77.30
CC(CC(=O)[O-])C1=CC=C(NCC2=CC(Cl)=CC(Br)=C2[O-])C=C1	REAL300011681272	0	38	-2.0	-85.03	354.01	8.70	-76.33
CC(CC(=O)[O-])C1=CC=C(NCC2=CC(Br)=CC(F)=C2[O-])C=C1	REAL300011681273	1	38	-2.0	-89.77	344.38	8.21	-81.56
CC(CC(=O)[O-])C1=CC=C(NCC2=CC(F)=CC(F)=C2[O-])C=C1	REAL300011681274	1	38	-2.0	-89.08	329.49	7.66	-81.42
COC(=O)C1=CC2=C(C=C(CNC3=CC=C(C(C)CC(=O)[O-])C=C3)O2)[N-]1	REAL300011681429	1	44	-2.0	-87.92	375.65	7.94	-79.98
CC(CC1=CC=C(NCC2=C([O-])C=CC(Cl)=C2F)C=C1)C(=O)[O-]	REAL300011681897	1	38	-2.0	-86.45	341.11	8.22	-78.23
CC(CC1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=C1)C(=O)[O-]	REAL300011681972	0	40	-2.0	-83.37	349.06	8.33	-75.04
CC(CC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=C1)C(=O)[O-]	REAL300011681979	0	38	-2.0	-85.87	353.49	8.73	-77.14
CC(CC1=CC=C(NCC2=CC(Cl)=CC(Br)=C2[O-])C=C1)C(=O)[O-]	REAL300011682407	0	38	-2.0	-84.73	357.07	8.82	-75.91
CC(CC1=CC=C(NCC2=CC(Br)=CC(F)=C2[O-])C=C1)C(=O)[O-]	REAL300011682408	1	38	-2.0	-89.53	348.25	8.36	-81.17
CC(CC1=CC=C(NCC2=CC(F)=CC(F)=C2[O-])C=C1)C(=O)[O-]	REAL300011682409	1	38	-2.0	-88.69	332.56	7.78	-80.91
COC(=O)C1=CC2=C(C=C(CNC3=CC=C(CC(C)C(=O)[O-])C=C3)O2)[N-]1	REAL300011682564	1	44	-2.0	-88.97	378.68	8.06	-80.91
CCCOC1=CC=C(C(=O)[O-])C=C1NCC1=C([O-])C=CC(Cl)=C1F	REAL300011682970	1	39	-2.0	-103.68	352.77	7.29	-96.39
CCCOC1=CC=C(C(=O)[O-])C=C1NCC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300011683029	0	41	-2.0	-96.07	359.84	7.41	-88.66
CCCOC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011683033	0	39	-2.0	-99.85	364.28	7.80	-92.05
CCCOC1=CC=C(C(=O)[O-])C=C1NCC1=CC(Br)=CC(F)=C1[O-]	REAL300011683372	1	39	-2.0	-103.41	359.04	7.43	-95.98
CCCOC1=CC=C(C(=O)[O-])C=C1NCC1=CC(F)=CC(F)=C1[O-]	REAL300011683373	1	39	-2.0	-102.43	344.15	6.88	-95.55
CCC(CC1=CC=C(NCC2=C([O-])C=CC(Cl)=C2F)C=C1)C(=O)[O-]	REAL300011683882	1	41	-2.0	-99.02	363.85	9.01	-90.01
CCC(CC1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=C1)C(=O)[O-]	REAL300011683952	0	43	-2.0	-96.50	371.01	9.13	-87.37
CCC(CC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=C1)C(=O)[O-]	REAL300011683959	0	41	-2.0	-95.60	375.45	9.52	-86.08
CCC(CC1=CC=C(NCC2=CC(Br)=CC(F)=C2[O-])C=C1)C(=O)[O-]	REAL300011684389	1	41	-2.0	-98.65	368.85	9.10	-89.55
CCC(CC1=CC=C(NCC2=CC(F)=CC(F)=C2[O-])C=C1)C(=O)[O-]	REAL300011684390	1	41	-2.0	-98.21	355.32	8.60	-89.61
CCC(CC1=CC=C(NCC2=CC3=C(C=C(C(=O)OC)[N-]3)O2)C=C1)C(=O)[O-]	REAL300011684552	1	47	-2.0	-96.60	401.46	8.87	-87.73
O=C([O-])CCCC1=CC=CC=C1NCC1=C([O-])C=CC(Cl)=C1F	REAL300011687305	1	38	-2.0	-104.86	342.82	8.62	-96.24
O=C([O-])CCCC1=CC=CC=C1NCC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300011687368	0	40	-2.0	-101.62	349.89	8.72	-92.90
O=C([O-])CCCC1=CC=CC=C1NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011687373	0	38	-2.0	-94.28	354.34	9.12	-85.16
O=C([O-])CCCC1=CC=CC=C1NCC1=CC(Cl)=CC(Br)=C1[O-]	REAL300011687707	0	38	-2.0	-93.60	358.73	9.24	-84.36
O=C([O-])CCCC1=CC=CC=C1NCC1=CC(Br)=CC(F)=C1[O-]	REAL300011687708	1	38	-2.0	-97.59	349.09	8.75	-88.84
O=C([O-])CCCC1=CC=CC=C1NCC1=CC(F)=CC(F)=C1[O-]	REAL300011687709	1	38	-2.0	-97.36	334.21	8.21	-89.15
COC(=O)C1=CC2=C(C=C(CNC3=CC=CC=C3CCCC(=O)[O-])O2)[N-]1	REAL300011687828	1	44	-2.0	-103.43	380.35	8.48	-94.95
O=C([O-])C1=CSC(CC2=CC=C(NCC3=C([O-])C=CC(Cl)=C3F)C=C2)=N1	REAL300011689346	1	38	-2.0	-98.72	370.13	7.66	-91.06
O=C([O-])C1=CSC(CC2=CC=C(NCC3=CC([N+](=O)[O-])=CC=C3[O-])C=C2)=N1	REAL300011689382	0	40	-2.0	-95.95	377.23	7.76	-88.19
O=C([O-])C1=CSC(CC2=CC=C(NCC3=CC(F)=CC(F)=C3[O-])C=C2)=N1	REAL300011689666	1	38	-2.0	-98.48	361.53	7.23	-91.25
O=C([O-])C1=CNC(=O)C2=CC(NCC3=C([O-])C=CC(Cl)=C3F)=CC=C12	REAL300011710043	1	35	-2.0	-89.40	326.80	5.24	-84.16
O=C([O-])C1=CNC(=O)C2=CC(NCC3=CC([N+](=O)[O-])=CC=C3[O-])=CC=C12	REAL300011710106	0	37	-2.0	-84.62	333.90	5.35	-79.27
O=C([O-])C1=CNC(=O)C2=CC(NCC3=CC(Cl)=CC(Cl)=C3[O-])=CC=C12	REAL300011710112	0	35	-2.0	-87.70	338.43	5.74	-81.96
O=C([O-])C1=CNC(=O)C2=CC(NCC3=CC(F)=CC(F)=C3[O-])=CC=C12	REAL300011710456	1	35	-2.0	-90.71	318.30	4.83	-85.88
COC(=O)C1=CC2=C(C=C(CNC3=CC=C4C(C(=O)[O-])=CNC(=O)C4=C3)O2)[N-]1	REAL300011710603	1	41	-2.0	-88.79	364.37	5.11	-83.68
CC(SC1=CC=C(NCC2=C([O-])C=CC(Cl)=C2F)C=C1)C(=O)[O-]	REAL300011713488	1	36	-2.0	-90.13	340.49	8.01	-82.12
CC(SC1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=C1)C(=O)[O-]	REAL300011713556	0	38	-2.0	-88.98	347.59	8.12	-80.86
CC(SC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=C1)C(=O)[O-]	REAL300011713562	0	36	-2.0	-84.38	350.43	8.44	-75.94
CC(SC1=CC=C(NCC2=CC(F)=CC(F)=C2[O-])C=C1)C(=O)[O-]	REAL300011713974	1	36	-2.0	-92.04	331.89	7.59	-84.45
COC(=O)C1=CC2=C(C=C(CNC3=CC=C(SC(C)C(=O)[O-])C=C3)O2)[N-]1	REAL300011714133	1	42	-2.0	-91.16	378.04	7.88	-83.28
CC(NCC1=CC([N+](=O)[O-])=CC=C1[O-])C1=NC=C(C(=O)[O-])S1	REAL300011731167	1	33	-2.0	-90.31	318.39	4.04	-86.27
CC(NCC1=CC(Cl)=CC(Cl)=C1[O-])C1=NC=C(C(=O)[O-])S1	REAL300011731175	1	31	-2.0	-86.79	322.70	4.45	-82.34
CC(NCC1=CC(Cl)=CC(Br)=C1[O-])C1=NC=C(C(=O)[O-])S1	REAL300011731586	1	31	-2.0	-86.03	327.09	4.56	-81.47
CC(NCC1=CC(Br)=CC(F)=C1[O-])C1=NC=C(C(=O)[O-])S1	REAL300011731587	1	31	-2.0	-90.47	317.45	4.07	-86.40
O=C([O-])C1=CON=C1CNCC1=C([O-])C=CC(Cl)=C1F	REAL300011736422	0	28	-2.0	-107.47	280.70	3.34	-104.13
O=C([O-])C1=CON=C1CNCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011736500	1	28	-2.0	-104.42	292.14	3.86	-100.56
O=C([O-])C1=CON=C1CNCC1=CC(Cl)=CC(Br)=C1[O-]	REAL300011736807	1	28	-2.0	-103.35	296.54	3.97	-99.38
O=C([O-])C1=CON=C1CNCC1=CC(Br)=CC(F)=C1[O-]	REAL300011736808	1	28	-2.0	-109.38	286.90	3.48	-105.90
O=C([O-])C1=CON=C1CNCC1=C([O-])C=CC(F)=C1Br	REAL300011737073	1	28	-2.0	-107.10	282.99	3.34	-103.76
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NCC2=C([O-])C=CC(Cl)=C2F)C=C1	REAL300011768228	1	36	-2.0	-89.67	331.55	8.34	-81.33
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=C1	REAL300011768300	0	38	-2.0	-85.71	338.65	8.45	-77.26
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=C1	REAL300011768307	0	36	-2.0	-87.04	343.07	8.84	-78.20
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NCC2=CC(Cl)=CC(Br)=C2[O-])C=C1	REAL300011768726	0	36	-2.0	-86.23	347.46	8.96	-77.27
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NCC2=CC(Br)=CC(F)=C2[O-])C=C1	REAL300011768727	1	36	-2.0	-90.72	337.83	8.47	-82.25
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NCC2=CC(F)=CC(F)=C2[O-])C=C1	REAL300011768728	1	36	-2.0	-90.17	322.95	7.93	-82.24
COC(=O)C1=CC2=C(C=C(CNC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)O2)[N-]1	REAL300011768880	1	42	-2.0	-91.40	369.11	8.20	-83.20
O=C([O-])C1=CSC(CNCC2=CC([N+](=O)[O-])=CC=C2[O-])=N1	REAL300011770358	1	30	-2.0	-98.33	297.66	3.21	-95.12
O=C([O-])C1=CSC(CNCC2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300011770366	1	28	-2.0	-93.03	303.43	3.51	-89.52
O=C([O-])C1=CSC(CNCC2=CC(Cl)=CC(Br)=C2[O-])=N1	REAL300011770718	1	28	-2.0	-92.22	307.82	3.63	-88.59
O=C([O-])C1=CSC(CNCC2=CC(Br)=CC(F)=C2[O-])=N1	REAL300011770719	1	28	-2.0	-96.49	298.18	3.14	-93.35
CC(NCC1=CC([N+](=O)[O-])=CC=C1[O-])C1=NC(C(=O)[O-])=CS1	REAL300011771365	1	33	-2.0	-97.26	317.68	3.85	-93.41
CC(NCC1=CC(Cl)=CC(Cl)=C1[O-])C1=NC(C(=O)[O-])=CS1	REAL300011771373	1	31	-2.0	-88.70	321.99	4.25	-84.45
CC(NCC1=CC(Cl)=CC(Br)=C1[O-])C1=NC(C(=O)[O-])=CS1	REAL300011771784	1	31	-2.0	-88.11	326.38	4.37	-83.74
O=C([O-])CC1=CSC(CNCC2=C([O-])C=CC(Cl)=C2F)=N1	REAL300011781380	0	31	-2.0	-98.27	311.88	3.90	-94.37
O=C([O-])CC1=CSC(CNCC2=CC([N+](=O)[O-])=CC=C2[O-])=N1	REAL300011781454	1	33	-2.0	-103.83	317.65	4.11	-99.72
O=C([O-])CC1=CSC(CNCC2=CC(Cl)=CC(Cl)=C2[O-])=N1	REAL300011781462	1	31	-2.0	-95.89	323.41	4.42	-91.47
O=C([O-])CC1=CSC(CNCC2=CC(Cl)=CC(Br)=C2[O-])=N1	REAL300011781873	1	31	-2.0	-95.26	327.80	4.54	-90.72
O=C([O-])CC1=CSC(CNCC2=CC(Br)=CC(F)=C2[O-])=N1	REAL300011781874	1	31	-2.0	-99.36	318.17	4.05	-95.31
O=C([O-])CC1=CSC(CNCC2=C([O-])C=CC(F)=C2Br)=N1	REAL300011782221	1	31	-2.0	-97.43	314.17	3.91	-93.52
O=C([O-])C(F)(F)CNCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011784836	0	25	-2.0	-90.36	270.09	3.80	-86.56
O=C([O-])C(F)(F)CNCC1=CC(Cl)=CC(Br)=C1[O-]	REAL300011785047	0	25	-2.0	-89.39	274.66	3.91	-85.48
O=C([O-])C(F)(F)CNCC1=CC(Br)=CC(F)=C1[O-]	REAL300011785048	0	25	-2.0	-94.25	265.03	3.42	-90.83
O=C([O-])C(F)(F)CNCC1=C([O-])C=CC(F)=C1Br	REAL300011785228	1	25	-2.0	-90.23	260.93	3.30	-86.93
CC1=CC=C(NCC2=C([O-])C=CC(Cl)=C2F)C(C)=C1C(=O)[O-]	REAL300011791790	1	35	-2.0	-96.94	317.62	7.55	-89.39
CC1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C(C)=C1C(=O)[O-]	REAL300011791864	0	37	-2.0	-93.85	325.14	7.66	-86.19
CC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C(C)=C1C(=O)[O-]	REAL300011791872	0	35	-2.0	-96.85	329.09	8.06	-88.79
CC1=CC=C(NCC2=CC(Cl)=CC(Br)=C2[O-])C(C)=C1C(=O)[O-]	REAL300011792256	0	35	-2.0	-96.09	333.47	8.18	-87.91
CC1=CC=C(NCC2=CC(Br)=CC(F)=C2[O-])C(C)=C1C(=O)[O-]	REAL300011792257	1	35	-2.0	-100.78	323.84	7.69	-93.09
CC1=CC=C(NCC2=CC(F)=CC(F)=C2[O-])C(C)=C1C(=O)[O-]	REAL300011792258	1	35	-2.0	-100.07	308.96	7.13	-92.94
COC(=O)C1=CC2=C(C=C(CNC3=CC=C(C)C(C(=O)[O-])=C3C)O2)[N-]1	REAL300011792393	1	41	-2.0	-99.01	355.19	7.41	-91.60
O=C([O-])CC(NCC1=CC([N+](=O)[O-])=CC=C1[O-])C1=C(F)C=CC=C1F	REAL300011803802	1	37	-2.0	-97.61	330.29	7.14	-90.47
CC(C)(C)C1=NC(CNC(CCC(=O)[O-])C(=O)[O-])=CS1	REAL300011810113	0	38	-2.0	-114.98	332.18	5.74	-109.24
CC1(C)CCC2=C(C1)SC(CNC(CCC(=O)[O-])C(=O)[O-])=N2	REAL300011810198	1	42	-2.0	-113.39	349.52	6.92	-106.47
O=C([O-])CCC([NH2+]CC1=C([O-])C=CC(Cl)=C1F)C(=O)[O-]	REAL300011810215	0	31	-2.0	-104.89	292.28	5.79	-99.10
O=C([O-])CCC([NH2+]CC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300011810295	0	31	-2.0	-93.24	303.83	6.44	-86.80
O=C([O-])CCC(NCC1=NC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300011810314	1	36	-2.0	-116.06	328.33	7.03	-109.03
CS(=O)(=O)C1=CC=CC(Cl)=C1CNC(CCC(=O)[O-])C(=O)[O-]	REAL300011810357	1	36	-2.0	-117.71	324.93	4.85	-112.86
CC1CCC2=C(C1)SC(CNC(CCC(=O)[O-])C(=O)[O-])=N2	REAL300011810363	1	39	-2.0	-113.04	334.79	6.56	-106.48
CCN(C(C)=O)C1=NC(CNC(CCC(=O)[O-])C(=O)[O-])=CS1	REAL300011810443	1	39	-2.0	-132.71	344.31	6.03	-126.68
CC(=O)N(C1=NC(CNC(CCC(=O)[O-])C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300011810457	1	43	-2.0	-128.38	392.14	8.57	-119.81
CC(C)(C)C1=CN=C(CNC(CCC(=O)[O-])C(=O)[O-])S1	REAL300011810524	1	38	-2.0	-111.66	331.57	6.05	-105.61
CSCC1=CN=C(CNC(CCC(=O)[O-])C(=O)[O-])S1	REAL300011810530	0	33	-2.0	-111.45	316.65	5.42	-106.03
O=C([O-])CCC([NH2+]CC1=C([O-])C=CC=C1Br)C(=O)[O-]	REAL300011810585	1	31	-2.0	-96.56	288.70	5.78	-90.78
CC(C)(C)C1=CSC(CNC(CCC(=O)[O-])C(=O)[O-])=N1	REAL300011810615	1	38	-2.0	-112.83	330.81	5.98	-106.85
O=C([O-])CCC([NH2+]CC1=CC(Cl)=CC(Br)=C1[O-])C(=O)[O-]	REAL300011810617	0	31	-2.0	-92.75	308.21	6.56	-86.19
O=C([O-])CCC([NH2+]CC1=CC(Br)=CC(F)=C1[O-])C(=O)[O-]	REAL300011810618	0	31	-2.0	-95.70	297.26	6.04	-89.66
O=C([O-])CCC(NCC1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300011810714	1	29	-2.0	-112.28	291.12	4.32	-107.96
COC1=CC=CC(C2=CSC(CNC(CCC(=O)[O-])C(=O)[O-])=N2)=C1	REAL300011810740	1	40	-2.0	-121.38	358.10	6.26	-115.12
O=C([O-])CCC(NCC1=CN=C(C2CCOCC2)O1)C(=O)[O-]	REAL300011810748	1	40	-2.0	-106.59	337.51	2.72	-103.87
CN1N=CC(CNC(CCC(=O)[O-])C(=O)[O-])=C1S(C)(=O)=O	REAL300011810758	1	36	-2.0	-107.64	319.33	1.44	-106.20
CS(=O)(=O)C1=C(CNC(CCC(=O)[O-])C(=O)[O-])C=CS1	REAL300011810761	1	33	-2.0	-120.36	303.14	3.40	-116.96
O=C([O-])CCC(NCC1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300011810785	0	34	-2.0	-112.89	304.65	3.60	-109.29
O=C([O-])CCC([NH2+]CC1=C([O-])C=CC(F)=C1Br)C(=O)[O-]	REAL300011810895	1	31	-2.0	-104.06	295.90	5.85	-98.21
O=C([O-])CC(NCC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C(=O)[O-]	REAL300011810970	1	36	-2.0	-120.31	332.44	8.04	-112.27
O=C([O-])CC(NCC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1)C(=O)[O-]	REAL300011810971	1	36	-2.0	-108.90	333.33	8.22	-100.68
O=C([O-])CC(NCC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1)C(=O)[O-]	REAL300011810983	1	36	-2.0	-124.43	326.85	8.68	-115.75
O=C([O-])CC(NCC1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300011810985	0	33	-2.0	-111.47	313.71	6.35	-105.12
CC(C)N1C2=CC=CC=C2N=C1CNC(CC(=O)[O-])C(=O)[O-]	REAL300011811028	1	39	-2.0	-115.25	325.38	7.06	-108.19
CCCN1C2=CC=CC=C2N=C1CNC(CC(=O)[O-])C(=O)[O-]	REAL300011811031	1	39	-2.0	-112.33	330.16	7.53	-104.80
CC1=CC=C(C2=NC(CNC(CC(=O)[O-])C(=O)[O-])=CS2)C=C1	REAL300011811036	0	36	-2.0	-115.20	328.71	6.97	-108.23
O=C([O-])CC(NCC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)C(=O)[O-]	REAL300011811039	0	36	-2.0	-110.88	346.00	7.30	-103.58
O=C([O-])CC(NCC1=CSC(C2=CSC=C2)=N1)C(=O)[O-]	REAL300011811043	0	30	-2.0	-114.09	300.79	5.38	-108.71
CC1=CC(F)=CC=C1C1=CC=C(CNC(CC(=O)[O-])C(=O)[O-])O1	REAL300011811069	1	37	-2.0	-107.97	331.19	8.12	-99.85
O=C([O-])CC(NCC1=CC=C(OC2=CC=CC=C2)O1)C(=O)[O-]	REAL300011811072	1	35	-2.0	-111.87	311.82	7.37	-104.50
COC1=CC=C2N=C(CNC(CC(=O)[O-])C(=O)[O-])SC2=C1	REAL300011811086	1	33	-2.0	-112.04	305.41	4.36	-107.68
O=C([O-])CC(NCC1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300011811108	0	33	-2.0	-117.63	331.20	7.01	-110.62
O=C([O-])CC(NCC1=CC=C(C2=NC3=CC=CC=C3S2)O1)C(=O)[O-]	REAL300011811112	1	36	-2.0	-117.58	336.94	6.93	-110.65
CC1(C)CCC2=C(C1)SC(CNC(CC(=O)[O-])C(=O)[O-])=N2	REAL300011811129	1	39	-2.0	-112.54	328.28	6.13	-106.41
O=C([O-])CC(NCC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1)C(=O)[O-]	REAL300011811148	1	34	-2.0	-110.21	336.13	8.33	-101.88
O=C([O-])CC(NCC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C(=O)[O-]	REAL300011811175	1	37	-2.0	-113.81	341.75	8.41	-105.40
O=C([O-])CC(NCC1=CC=C(CSC(F)F)O1)C(=O)[O-]	REAL300011811216	1	31	-2.0	-109.82	305.59	6.18	-103.64
O=C([O-])CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300011811218	0	28	-2.0	-93.18	281.66	5.70	-87.48
O=C([O-])CC(NCC1=NC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300011811234	1	33	-2.0	-114.77	306.85	6.38	-108.39
O=C([O-])CC(NCC1=CSC(C2=CC=CS2)=N1)C(=O)[O-]	REAL300011811239	0	30	-2.0	-116.50	301.53	5.43	-111.07
O=C([O-])CC(NCC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1)C(=O)[O-]	REAL300011811263	1	33	-2.0	-112.56	335.79	7.81	-104.75
O=C([O-])CC(NCC1=CC=C(C2=CC=C(F)C=C2)O1)C(=O)[O-]	REAL300011811296	1	34	-2.0	-110.18	311.71	7.56	-102.62
CCN(C(C)=O)C1=NC(CNC(CC(=O)[O-])C(=O)[O-])=CS1	REAL300011811329	1	36	-2.0	-131.22	322.60	5.32	-125.90
CC(=O)N(C1=NC(CNC(CC(=O)[O-])C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300011811340	1	40	-2.0	-126.05	369.13	7.88	-118.17
O=C([O-])CC([NH2+]CC1=C([O-])C=CC=C1Br)C(=O)[O-]	REAL300011811446	1	28	-2.0	-98.21	265.89	4.99	-93.22
O=C([O-])CC([NH2+]CC1=CC(Cl)=CC(Br)=C1[O-])C(=O)[O-]	REAL300011811474	0	28	-2.0	-92.50	286.05	5.82	-86.68
O=C([O-])CC([NH2+]CC1=CC(Br)=CC(F)=C1[O-])C(=O)[O-]	REAL300011811475	0	28	-2.0	-96.55	276.42	5.33	-91.22
O=C([O-])CC(NCC1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300011811512	0	33	-2.0	-111.92	325.57	6.80	-105.12
COC1=CC=C(C2=NC(CNC(CC(=O)[O-])C(=O)[O-])=CS2)C=C1	REAL300011811513	0	37	-2.0	-114.85	339.19	5.76	-109.09
CC(C)(C)OC(=O)N1CCN(C2=CC=C(CNC(CC(=O)[O-])C(=O)[O-])O2)CC1	REAL300011811570	1	53	-2.0	-113.25	425.56	5.53	-107.72
COC1=CC=CC(C2=CSC(CNC(CC(=O)[O-])C(=O)[O-])=N2)=C1	REAL300011811571	1	37	-2.0	-120.21	336.38	5.68	-114.53
O=C([O-])CC([NH2+]CC1=C([O-])C=CC(F)=C1Br)C(=O)[O-]	REAL300011811689	1	28	-2.0	-94.41	273.74	5.11	-89.30
CN1C(CC2=CC=CC=C2)=CN=C1CNC(CC(=O)[O-])C(=O)[O-]	REAL300011811713	0	40	-2.0	-111.89	344.89	8.15	-103.74
CC(C)(C)C1=NC(CN[C@@H](CCC(=O)[O-])C(=O)[O-])=CS1	REAL300011818359	0	38	-2.0	-114.77	330.64	5.76	-109.01
CC1(C)CCC2=C(C1)SC(CN[C@@H](CCC(=O)[O-])C(=O)[O-])=N2	REAL300011818444	1	42	-2.0	-108.46	349.89	6.94	-101.52
O=C([O-])CC[C@H]([NH2+]CC1=C([O-])C=CC(Cl)=C1F)C(=O)[O-]	REAL300011818461	0	31	-2.0	-95.50	291.46	5.75	-89.75
O=C([O-])CC[C@H]([NH2+]CC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300011818541	0	31	-2.0	-107.82	302.54	6.41	-101.41
O=C([O-])CC[C@H](NCC1=NC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300011818560	1	36	-2.0	-109.44	328.76	7.05	-102.39
CS(=O)(=O)C1=CC=CC(Cl)=C1CN[C@@H](CCC(=O)[O-])C(=O)[O-]	REAL300011818603	1	36	-2.0	-117.16	325.11	4.85	-112.31
CC1CCC2=C(C1)SC(CN[C@@H](CCC(=O)[O-])C(=O)[O-])=N2	REAL300011818609	1	39	-2.0	-107.94	334.98	6.64	-101.30
CCN(C(C)=O)C1=NC(CN[C@@H](CCC(=O)[O-])C(=O)[O-])=CS1	REAL300011818689	1	39	-2.0	-132.27	343.21	6.01	-126.26
CC(=O)N(C1=NC(CN[C@@H](CCC(=O)[O-])C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300011818703	1	43	-2.0	-125.67	393.74	8.66	-117.01
CC(C)(C)C1=CN=C(CN[C@@H](CCC(=O)[O-])C(=O)[O-])S1	REAL300011818770	1	38	-2.0	-108.13	331.81	6.00	-102.13
CSCC1=CN=C(CN[C@@H](CCC(=O)[O-])C(=O)[O-])S1	REAL300011818776	0	33	-2.0	-107.58	315.36	5.37	-102.21
O=C([O-])CC[C@H]([NH2+]CC1=C([O-])C=CC=C1Br)C(=O)[O-]	REAL300011818831	1	31	-2.0	-96.52	288.75	5.78	-90.74
CC(C)(C)C1=CSC(CN[C@@H](CCC(=O)[O-])C(=O)[O-])=N1	REAL300011818861	1	38	-2.0	-107.43	332.54	6.00	-101.43
O=C([O-])CC[C@H]([NH2+]CC1=CC(Cl)=CC(Br)=C1[O-])C(=O)[O-]	REAL300011818863	0	31	-2.0	-106.97	306.93	6.52	-100.45
O=C([O-])CC[C@H]([NH2+]CC1=CC(Br)=CC(F)=C1[O-])C(=O)[O-]	REAL300011818864	0	31	-2.0	-112.07	297.29	6.04	-106.03
O=C([O-])CC[C@H](NCC1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300011818960	1	29	-2.0	-112.06	289.60	4.33	-107.73
COC1=CC=CC(C2=CSC(CN[C@@H](CCC(=O)[O-])C(=O)[O-])=N2)=C1	REAL300011818986	1	40	-2.0	-114.04	356.57	6.28	-107.76
O=C([O-])CC[C@H](NCC1=CN=C(C2CCOCC2)O1)C(=O)[O-]	REAL300011818994	1	40	-2.0	-109.38	337.75	2.66	-106.72
CN1N=CC(CN[C@@H](CCC(=O)[O-])C(=O)[O-])=C1S(C)(=O)=O	REAL300011819004	1	36	-2.0	-109.83	313.11	1.44	-108.39
CS(=O)(=O)C1=C(CN[C@@H](CCC(=O)[O-])C(=O)[O-])C=CS1	REAL300011819007	1	33	-2.0	-118.32	306.13	3.77	-114.55
O=C([O-])CC[C@H](NCC1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300011819031	0	34	-2.0	-107.49	305.08	3.62	-103.87
O=C([O-])CC[C@H]([NH2+]CC1=C([O-])C=CC(F)=C1Br)C(=O)[O-]	REAL300011819141	1	31	-2.0	-93.45	294.42	5.82	-87.63
CC(C)(C)C1=NC(CN[C@H](CCC(=O)[O-])C(=O)[O-])=CS1	REAL300011820225	0	38	-2.0	-109.26	333.66	5.84	-103.42
CC1(C)CCC2=C(C1)SC(CN[C@H](CCC(=O)[O-])C(=O)[O-])=N2	REAL300011820310	1	42	-2.0	-110.81	351.19	6.95	-103.86
O=C([O-])CC[C@@H]([NH2+]CC1=C([O-])C=CC(Cl)=C1F)C(=O)[O-]	REAL300011820327	0	31	-2.0	-95.64	293.61	5.84	-89.80
O=C([O-])CC[C@@H]([NH2+]CC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300011820407	0	31	-2.0	-108.19	303.53	6.34	-101.85
O=C([O-])CC[C@@H](NCC1=NC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300011820426	1	36	-2.0	-113.08	330.06	7.06	-106.02
CS(=O)(=O)C1=CC=CC(Cl)=C1CN[C@H](CCC(=O)[O-])C(=O)[O-]	REAL300011820469	1	36	-2.0	-118.64	328.97	4.41	-114.23
CC1CCC2=C(C1)SC(CN[C@H](CCC(=O)[O-])C(=O)[O-])=N2	REAL300011820475	1	39	-2.0	-110.27	336.13	6.69	-103.58
CCN(C(C)=O)C1=NC(CN[C@H](CCC(=O)[O-])C(=O)[O-])=CS1	REAL300011820555	1	39	-2.0	-123.46	345.64	6.17	-117.29
CC(=O)N(C1=NC(CN[C@H](CCC(=O)[O-])C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300011820569	1	43	-2.0	-119.59	393.53	8.71	-110.88
CC(C)(C)C1=CN=C(CN[C@H](CCC(=O)[O-])C(=O)[O-])S1	REAL300011820636	1	38	-2.0	-109.14	333.15	6.12	-103.02
CSCC1=CN=C(CN[C@H](CCC(=O)[O-])C(=O)[O-])S1	REAL300011820642	0	33	-2.0	-108.93	318.38	5.45	-103.48
O=C([O-])CC[C@@H]([NH2+]CC1=C([O-])C=CC=C1Br)C(=O)[O-]	REAL300011820697	1	31	-2.0	-108.39	288.88	5.76	-102.63
CC(C)(C)C1=CSC(CN[C@H](CCC(=O)[O-])C(=O)[O-])=N1	REAL300011820727	1	38	-2.0	-110.05	332.39	6.05	-104.00
O=C([O-])CC[C@@H]([NH2+]CC1=CC(Cl)=CC(Br)=C1[O-])C(=O)[O-]	REAL300011820729	0	31	-2.0	-107.36	307.92	6.45	-100.91
O=C([O-])CC[C@@H]([NH2+]CC1=CC(Br)=CC(F)=C1[O-])C(=O)[O-]	REAL300011820730	0	31	-2.0	-113.21	299.61	6.01	-107.20
O=C([O-])CC[C@@H](NCC1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300011820826	1	29	-2.0	-104.64	292.46	4.44	-100.20
COC1=CC=CC(C2=CSC(CN[C@H](CCC(=O)[O-])C(=O)[O-])=N2)=C1	REAL300011820852	1	40	-2.0	-121.31	357.86	6.33	-114.98
O=C([O-])CC[C@@H](NCC1=CN=C(C2CCOCC2)O1)C(=O)[O-]	REAL300011820860	1	40	-2.0	-105.27	339.25	2.75	-102.52
CN1N=CC(CN[C@H](CCC(=O)[O-])C(=O)[O-])=C1S(C)(=O)=O	REAL300011820870	1	36	-2.0	-111.08	321.50	1.53	-109.55
CS(=O)(=O)C1=C(CN[C@H](CCC(=O)[O-])C(=O)[O-])C=CS1	REAL300011820873	1	33	-2.0	-116.70	310.44	3.49	-113.21
O=C([O-])CC[C@@H](NCC1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300011820897	0	34	-2.0	-110.24	306.38	3.62	-106.62
O=C([O-])CC[C@@H]([NH2+]CC1=C([O-])C=CC(F)=C1Br)C(=O)[O-]	REAL300011821007	1	31	-2.0	-93.44	291.45	5.71	-87.73
O=C([O-])C[C@H](NCC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C(=O)[O-]	REAL300011825654	1	36	-2.0	-119.96	330.92	8.07	-111.89
O=C([O-])C[C@H](NCC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1)C(=O)[O-]	REAL300011825655	1	36	-2.0	-108.20	332.43	8.03	-100.17
O=C([O-])C[C@H](NCC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1)C(=O)[O-]	REAL300011825667	1	36	-2.0	-124.63	328.36	8.65	-115.98
O=C([O-])C[C@H](NCC1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300011825669	0	33	-2.0	-111.47	313.73	6.35	-105.12
CC(C)N1C2=CC=CC=C2N=C1CN[C@@H](CC(=O)[O-])C(=O)[O-]	REAL300011825712	1	39	-2.0	-114.07	325.15	7.20	-106.87
CCCN1C2=CC=CC=C2N=C1CN[C@@H](CC(=O)[O-])C(=O)[O-]	REAL300011825715	1	39	-2.0	-114.05	332.48	7.52	-106.53
CC1=CC=C(C2=NC(CN[C@@H](CC(=O)[O-])C(=O)[O-])=CS2)C=C1	REAL300011825720	0	36	-2.0	-115.23	328.73	6.96	-108.27
O=C([O-])C[C@H](NCC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)C(=O)[O-]	REAL300011825723	0	36	-2.0	-111.31	347.54	7.27	-104.04
O=C([O-])C[C@H](NCC1=CSC(C2=CSC=C2)=N1)C(=O)[O-]	REAL300011825727	0	30	-2.0	-112.68	299.64	5.35	-107.33
CC1=CC(F)=CC=C1C1=CC=C(CN[C@@H](CC(=O)[O-])C(=O)[O-])O1	REAL300011825753	1	37	-2.0	-107.98	331.16	8.11	-99.87
O=C([O-])C[C@H](NCC1=CC=C(OC2=CC=CC=C2)O1)C(=O)[O-]	REAL300011825756	1	35	-2.0	-109.79	311.82	7.37	-102.42
COC1=CC=C2N=C(CN[C@@H](CC(=O)[O-])C(=O)[O-])SC2=C1	REAL300011825770	1	33	-2.0	-111.76	305.66	4.30	-107.46
O=C([O-])C[C@H](NCC1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300011825792	0	33	-2.0	-116.27	330.15	6.88	-109.39
O=C([O-])C[C@H](NCC1=CC=C(C2=NC3=CC=CC=C3S2)O1)C(=O)[O-]	REAL300011825796	1	36	-2.0	-117.24	339.54	7.03	-110.21
CC1(C)CCC2=C(C1)SC(CN[C@@H](CC(=O)[O-])C(=O)[O-])=N2	REAL300011825813	1	39	-2.0	-113.39	329.28	6.27	-107.12
O=C([O-])C[C@H](NCC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1)C(=O)[O-]	REAL300011825832	1	34	-2.0	-110.17	336.13	8.33	-101.84
O=C([O-])C[C@H](NCC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C(=O)[O-]	REAL300011825859	1	37	-2.0	-114.18	343.29	8.37	-105.81
O=C([O-])C[C@H](NCC1=CC=C(CSC(F)F)O1)C(=O)[O-]	REAL300011825900	1	31	-2.0	-108.92	305.59	6.18	-102.74
O=C([O-])C[C@H]([NH2+]CC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300011825902	0	28	-2.0	-94.45	281.70	5.71	-88.74
O=C([O-])C[C@H](NCC1=NC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300011825918	1	33	-2.0	-113.33	305.56	6.27	-107.06
O=C([O-])C[C@H](NCC1=CSC(C2=CC=CS2)=N1)C(=O)[O-]	REAL300011825923	0	30	-2.0	-114.54	300.23	5.45	-109.09
O=C([O-])C[C@H](NCC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1)C(=O)[O-]	REAL300011825947	1	33	-2.0	-111.38	339.40	7.41	-103.97
O=C([O-])C[C@H](NCC1=CC=C(C2=CC=C(F)C=C2)O1)C(=O)[O-]	REAL300011825980	1	34	-2.0	-109.14	310.66	7.43	-101.71
CCN(C(C)=O)C1=NC(CN[C@@H](CC(=O)[O-])C(=O)[O-])=CS1	REAL300011826013	1	36	-2.0	-130.79	321.61	5.37	-125.42
CC(=O)N(C1=NC(CN[C@@H](CC(=O)[O-])C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300011826024	1	40	-2.0	-125.74	370.54	7.98	-117.76
O=C([O-])C[C@H]([NH2+]CC1=C([O-])C=CC=C1Br)C(=O)[O-]	REAL300011826130	1	28	-2.0	-99.26	268.04	5.08	-94.18
O=C([O-])C[C@H]([NH2+]CC1=CC(Cl)=CC(Br)=C1[O-])C(=O)[O-]	REAL300011826158	0	28	-2.0	-93.74	286.09	5.83	-87.91
O=C([O-])C[C@H]([NH2+]CC1=CC(Br)=CC(F)=C1[O-])C(=O)[O-]	REAL300011826159	0	28	-2.0	-97.98	276.46	5.34	-92.64
O=C([O-])C[C@H](NCC1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300011826196	0	33	-2.0	-111.89	325.58	6.79	-105.10
COC1=CC=C(C2=NC(CN[C@@H](CC(=O)[O-])C(=O)[O-])=CS2)C=C1	REAL300011826197	0	37	-2.0	-113.84	336.77	5.60	-108.24
CC(C)(C)OC(=O)N1CCN(C2=CC=C(CN[C@@H](CC(=O)[O-])C(=O)[O-])O2)CC1	REAL300011826254	1	53	-2.0	-112.67	425.52	5.60	-107.07
COC1=CC=CC(C2=CSC(CN[C@@H](CC(=O)[O-])C(=O)[O-])=N2)=C1	REAL300011826255	1	37	-2.0	-120.38	337.54	5.72	-114.66
O=C([O-])C[C@H]([NH2+]CC1=C([O-])C=CC(F)=C1Br)C(=O)[O-]	REAL300011826373	1	28	-2.0	-92.80	272.26	5.08	-87.72
CN1C(CC2=CC=CC=C2)=CN=C1CN[C@@H](CC(=O)[O-])C(=O)[O-]	REAL300011826397	0	40	-2.0	-112.36	341.56	8.01	-104.35
O=C([O-])C[C@@H](NCC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C(=O)[O-]	REAL300011826924	1	36	-2.0	-122.30	333.50	8.17	-114.13
O=C([O-])C[C@@H](NCC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1)C(=O)[O-]	REAL300011826925	1	36	-2.0	-109.32	333.48	8.16	-101.16
O=C([O-])C[C@@H](NCC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1)C(=O)[O-]	REAL300011826937	1	36	-2.0	-124.85	329.25	8.83	-116.02
O=C([O-])C[C@@H](NCC1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300011826939	0	33	-2.0	-112.60	316.16	6.51	-106.09
CC(C)N1C2=CC=CC=C2N=C1CN[C@H](CC(=O)[O-])C(=O)[O-]	REAL300011826982	1	39	-2.0	-116.71	326.44	7.19	-109.52
CCCN1C2=CC=CC=C2N=C1CN[C@H](CC(=O)[O-])C(=O)[O-]	REAL300011826985	1	39	-2.0	-114.43	326.82	7.54	-106.89
CC1=CC=C(C2=NC(CN[C@H](CC(=O)[O-])C(=O)[O-])=CS2)C=C1	REAL300011826990	0	36	-2.0	-116.38	331.16	7.12	-109.26
O=C([O-])C[C@@H](NCC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)C(=O)[O-]	REAL300011826993	0	36	-2.0	-111.95	348.44	7.44	-104.51
O=C([O-])C[C@@H](NCC1=CSC(C2=CSC=C2)=N1)C(=O)[O-]	REAL300011826997	0	30	-2.0	-114.54	300.93	5.34	-109.20
CC1=CC(F)=CC=C1C1=CC=C(CN[C@H](CC(=O)[O-])C(=O)[O-])O1	REAL300011827023	1	37	-2.0	-108.41	332.06	8.29	-100.12
O=C([O-])C[C@@H](NCC1=CC=C(OC2=CC=CC=C2)O1)C(=O)[O-]	REAL300011827026	1	35	-2.0	-110.59	311.67	7.41	-103.18
COC1=CC=C2N=C(CN[C@H](CC(=O)[O-])C(=O)[O-])SC2=C1	REAL300011827040	1	33	-2.0	-111.99	306.70	4.43	-107.56
O=C([O-])C[C@@H](NCC1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300011827062	0	33	-2.0	-117.23	331.05	7.05	-110.18
O=C([O-])C[C@@H](NCC1=CC=C(C2=NC3=CC=CC=C3S2)O1)C(=O)[O-]	REAL300011827066	1	36	-2.0	-119.00	339.39	7.08	-111.92
CC1(C)CCC2=C(C1)SC(CN[C@H](CC(=O)[O-])C(=O)[O-])=N2	REAL300011827083	1	39	-2.0	-111.85	329.13	6.31	-105.54
O=C([O-])C[C@@H](NCC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)O1)C(=O)[O-]	REAL300011827102	1	34	-2.0	-111.43	337.18	8.46	-102.97
O=C([O-])C[C@@H](NCC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C(=O)[O-]	REAL300011827129	1	37	-2.0	-115.72	344.34	8.50	-107.22
O=C([O-])C[C@@H](NCC1=CC=C(CSC(F)F)O1)C(=O)[O-]	REAL300011827170	1	31	-2.0	-109.47	305.44	6.22	-103.25
O=C([O-])C[C@@H]([NH2+]CC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300011827172	0	28	-2.0	-94.61	282.69	5.65	-88.96
O=C([O-])C[C@@H](NCC1=NC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300011827188	1	33	-2.0	-113.75	306.85	6.31	-107.44
O=C([O-])C[C@@H](NCC1=CSC(C2=CC=CS2)=N1)C(=O)[O-]	REAL300011827193	0	30	-2.0	-116.49	301.53	5.43	-111.06
O=C([O-])C[C@@H](NCC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1)C(=O)[O-]	REAL300011827217	1	33	-2.0	-111.64	340.70	7.46	-104.18
O=C([O-])C[C@@H](NCC1=CC=C(C2=CC=C(F)C=C2)O1)C(=O)[O-]	REAL300011827250	1	34	-2.0	-110.20	311.71	7.56	-102.64
CCN(C(C)=O)C1=NC(CN[C@H](CC(=O)[O-])C(=O)[O-])=CS1	REAL300011827283	1	36	-2.0	-132.69	323.65	5.45	-127.24
CC(=O)N(C1=NC(CN[C@H](CC(=O)[O-])C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300011827294	1	40	-2.0	-128.10	371.77	7.98	-120.12
O=C([O-])C[C@@H]([NH2+]CC1=C([O-])C=CC=C1Br)C(=O)[O-]	REAL300011827400	1	28	-2.0	-97.54	263.57	4.94	-92.60
O=C([O-])C[C@@H]([NH2+]CC1=CC(Cl)=CC(Br)=C1[O-])C(=O)[O-]	REAL300011827428	0	28	-2.0	-93.91	287.08	5.76	-88.15
O=C([O-])C[C@@H]([NH2+]CC1=CC(Br)=CC(F)=C1[O-])C(=O)[O-]	REAL300011827429	0	28	-2.0	-97.46	276.12	5.22	-92.24
O=C([O-])C[C@@H](NCC1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300011827466	0	33	-2.0	-112.53	326.48	6.96	-105.57
COC1=CC=C(C2=NC(CN[C@H](CC(=O)[O-])C(=O)[O-])=CS2)C=C1	REAL300011827467	0	37	-2.0	-115.21	339.34	5.71	-109.50
CC(C)(C)OC(=O)N1CCN(C2=CC=C(CN[C@H](CC(=O)[O-])C(=O)[O-])O2)CC1	REAL300011827524	1	53	-2.0	-114.80	426.85	5.59	-109.21
COC1=CC=CC(C2=CSC(CN[C@H](CC(=O)[O-])C(=O)[O-])=N2)=C1	REAL300011827525	1	37	-2.0	-117.96	337.53	5.72	-112.24
O=C([O-])C[C@@H]([NH2+]CC1=C([O-])C=CC(F)=C1Br)C(=O)[O-]	REAL300011827643	1	28	-2.0	-92.56	269.29	4.97	-87.59
CN1C(CC2=CC=CC=C2)=CN=C1CN[C@H](CC(=O)[O-])C(=O)[O-]	REAL300011827667	0	40	-2.0	-113.34	345.60	8.23	-105.11
CC(C)C1=NC(CN[C@H](CCCC(=O)[O-])C(=O)[O-])=CS1	REAL300011827783	0	38	-2.0	-103.85	336.08	6.14	-97.71
CC(C)(C)C1=NC(CN[C@H](CCCC(=O)[O-])C(=O)[O-])=CS1	REAL300011827789	0	41	-2.0	-104.57	355.01	6.65	-97.92
CC1(C)CCC2=C(C1)SC(CN[C@H](CCCC(=O)[O-])C(=O)[O-])=N2	REAL300011827877	1	45	-2.0	-104.16	372.54	7.76	-96.40
O=C([O-])CCC[C@@H]([NH2+]CC1=C([O-])C=CC(Cl)=C1F)C(=O)[O-]	REAL300011827896	0	34	-2.0	-95.86	313.79	6.56	-89.30
O=C([O-])CCC[C@@H]([NH2+]CC1=CC([N+](=O)[O-])=CC=C1[O-])C(=O)[O-]	REAL300011827971	0	36	-2.0	-92.89	320.79	6.83	-86.06
O=C([O-])CCC[C@@H]([NH2+]CC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300011827979	0	34	-2.0	-102.00	326.35	7.15	-94.85
O=C([O-])CCC[C@@H](NCC1=NC(C2=CC=CC=C2)=CS1)C(=O)[O-]	REAL300011827998	1	39	-2.0	-105.68	351.41	7.87	-97.81
CS(=O)(=O)C1=CC=CC(Cl)=C1CN[C@H](CCCC(=O)[O-])C(=O)[O-]	REAL300011828043	1	39	-2.0	-112.87	350.48	5.18	-107.69
CC1CCC2=C(C1)SC(CN[C@H](CCCC(=O)[O-])C(=O)[O-])=N2	REAL300011828048	1	42	-2.0	-103.68	357.63	7.46	-96.22
O=C([O-])CCC[C@@H](NCC1=NN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300011828132	1	39	-2.0	-105.07	342.89	6.86	-98.21
CCN(C(C)=O)C1=NC(CN[C@H](CCCC(=O)[O-])C(=O)[O-])=CS1	REAL300011828136	1	42	-2.0	-121.24	366.10	6.86	-114.38
O=C([O-])CCC[C@@H](NCC1=NC2=C(CCCC2)S1)C(=O)[O-]	REAL300011828161	1	39	-2.0	-104.40	336.98	6.80	-97.60
CC(C)C1=CN=C(CN[C@H](CCCC(=O)[O-])C(=O)[O-])S1	REAL300011828232	1	38	-2.0	-102.53	337.02	6.41	-96.12
CC(C)(C)C1=CN=C(CN[C@H](CCCC(=O)[O-])C(=O)[O-])S1	REAL300011828236	1	41	-2.0	-102.55	354.65	6.90	-95.65
CSCC1=CN=C(CN[C@H](CCCC(=O)[O-])C(=O)[O-])S1	REAL300011828243	0	36	-2.0	-104.49	338.39	6.15	-98.34
O=C([O-])CCC[C@@H]([NH2+]CC1=C([O-])C=CC=C1Br)C(=O)[O-]	REAL300011828300	1	34	-2.0	-103.76	311.71	6.58	-97.18
CC(C)(C)C1=CSC(CN[C@H](CCCC(=O)[O-])C(=O)[O-])=N1	REAL300011828336	1	41	-2.0	-105.59	352.55	6.71	-98.88
O=C([O-])CCC[C@@H]([NH2+]CC1=CC(Cl)=CC(Br)=C1[O-])C(=O)[O-]	REAL300011828338	0	34	-2.0	-101.28	330.74	7.26	-94.02
O=C([O-])CCC[C@@H]([NH2+]CC1=CC(Br)=CC(F)=C1[O-])C(=O)[O-]	REAL300011828339	0	34	-2.0	-105.84	321.11	6.77	-99.07
O=C([O-])CCC[C@@H]([NH2+]CC1=CC(F)=CC(F)=C1[O-])C(=O)[O-]	REAL300011828340	0	34	-2.0	-105.10	304.89	6.19	-98.91
O=C([O-])CCC[C@@H](NCC1=CC2=C(C=CNC2=O)O1)C(=O)[O-]	REAL300011828418	1	36	-2.0	-111.93	320.92	4.59	-107.34
O=C([O-])CCC[C@@H](NCC1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300011828442	1	32	-2.0	-101.00	312.62	5.10	-95.90
COC1=CC=CC(C2=CSC(CN[C@H](CCCC(=O)[O-])C(=O)[O-])=N2)=C1	REAL300011828477	1	43	-2.0	-113.08	379.36	7.11	-105.97
O=C([O-])CCC[C@@H](NCC1=CN=C(C2CCOCC2)O1)C(=O)[O-]	REAL300011828484	1	43	-2.0	-100.57	359.25	3.45	-97.12
CN1N=CC(CN[C@H](CCCC(=O)[O-])C(=O)[O-])=C1S(C)(=O)=O	REAL300011828497	1	39	-2.0	-105.15	343.00	2.31	-102.84
CS(=O)(=O)C1=C(CN[C@H](CCCC(=O)[O-])C(=O)[O-])C=CS1	REAL300011828501	1	36	-2.0	-110.86	331.94	4.25	-106.61
O=C([O-])CCC[C@@H](NCC1=NC2=C(COCC2)S1)C(=O)[O-]	REAL300011828529	0	37	-2.0	-103.17	327.73	4.44	-98.73
CCN1C=C(Cl)C(CN[C@H](CCCC(=O)[O-])C(=O)[O-])=N1	REAL300011828602	1	36	-2.0	-107.18	329.45	6.13	-101.05
O=C([O-])CCC[C@@H]([NH2+]CC1=C([O-])C=CC(F)=C1Br)C(=O)[O-]	REAL300011828653	1	34	-2.0	-94.22	315.91	6.59	-87.63
CC(C[NH2+]CC1=C([O-])C=CC(Cl)=C1F)(CC(=O)[O-])C(=O)[O-]	REAL300011832900	0	34	-2.0	-127.82	305.43	6.59	-121.23
CC(C[NH2+]CC1=CC([N+](=O)[O-])=CC=C1[O-])(CC(=O)[O-])C(=O)[O-]	REAL300011832975	0	36	-2.0	-119.62	311.10	6.79	-112.83
CC(C[NH2+]CC1=CC(Cl)=CC(Cl)=C1[O-])(CC(=O)[O-])C(=O)[O-]	REAL300011832983	0	34	-2.0	-106.29	313.87	7.22	-99.07
CC(CNCC1=C(Cl)C=CC=C1S(C)(=O)=O)(CC(=O)[O-])C(=O)[O-]	REAL300011833047	1	39	-2.0	-139.96	335.08	5.55	-134.41
CCN(C(C)=O)C1=NC(CNCC(C)(CC(=O)[O-])C(=O)[O-])=CS1	REAL300011833140	1	42	-2.0	-148.86	354.54	6.57	-142.29
CC(C[NH2+]CC1=C([O-])C=CC=C1Br)(CC(=O)[O-])C(=O)[O-]	REAL300011833304	1	34	-2.0	-109.24	300.25	6.58	-102.66
CC(C[NH2+]CC1=CC(Cl)=CC(Br)=C1[O-])(CC(=O)[O-])C(=O)[O-]	REAL300011833342	0	34	-2.0	-105.84	318.26	7.35	-98.49
CC(C[NH2+]CC1=CC(Br)=CC(F)=C1[O-])(CC(=O)[O-])C(=O)[O-]	REAL300011833343	0	34	-2.0	-108.57	308.62	6.85	-101.72
CC(C[NH2+]CC1=CC(F)=CC(F)=C1[O-])(CC(=O)[O-])C(=O)[O-]	REAL300011833344	0	34	-2.0	-108.66	293.74	6.30	-102.36
COC(=O)C1=CC2=C(C=C(C[NH2+]CC(C)(CC(=O)[O-])C(=O)[O-])O2)[N-]1	REAL300011833475	1	40	-2.0	-139.04	343.00	6.46	-132.58
CCN1C=C(Cl)C(CNCC(C)(CC(=O)[O-])C(=O)[O-])=N1	REAL300011833606	1	36	-2.0	-129.76	317.74	5.81	-123.95
CC(C[NH2+]CC1=C([O-])C=CC(F)=C1Br)(CC(=O)[O-])C(=O)[O-]	REAL300011833657	1	34	-2.0	-114.83	308.61	6.53	-108.30
O=C([O-])CC(C[NH2+]CC1=C([O-])C=CC(Cl)=C1F)C(=O)[O-]	REAL300011840311	0	31	-2.0	-116.91	295.90	5.98	-110.93
O=C([O-])CC(C[NH2+]CC1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300011840391	0	31	-2.0	-116.34	299.66	6.76	-109.58
CS(=O)(=O)C1=CC=CC(Cl)=C1CNCC(CC(=O)[O-])C(=O)[O-]	REAL300011840453	1	36	-2.0	-140.00	324.12	5.01	-134.99
O=C([O-])CC(CNCC1=NN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300011840535	1	36	-2.0	-129.91	320.75	6.00	-123.91
CCN(C(C)=O)C1=NC(CNCC(CC(=O)[O-])C(=O)[O-])=CS1	REAL300011840539	1	39	-2.0	-143.21	337.44	6.20	-137.01
CC(=O)N(C1=NC(CNCC(CC(=O)[O-])C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300011840553	1	43	-2.0	-140.20	384.87	8.70	-131.50
O=C([O-])CC(CNCC1=NC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300011840579	1	29	-2.0	-120.19	286.76	5.07	-115.12
O=C([O-])CC(C[NH2+]CC1=C([O-])C=CC=C1Br)C(=O)[O-]	REAL300011840681	1	31	-2.0	-115.74	286.05	6.11	-109.63
O=C([O-])CC(C[NH2+]CC1=CC(Cl)=CC(Br)=C1[O-])C(=O)[O-]	REAL300011840713	0	31	-2.0	-115.79	304.06	6.88	-108.91
O=C([O-])CC(C[NH2+]CC1=CC(Br)=CC(F)=C1[O-])C(=O)[O-]	REAL300011840714	0	31	-2.0	-122.18	300.88	6.22	-115.96
O=C([O-])CC(CNCC1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300011840810	1	29	-2.0	-129.87	286.78	4.86	-125.01
CN1N=CC(CNCC(CC(=O)[O-])C(=O)[O-])=C1S(C)(=O)=O	REAL300011840854	1	36	-2.0	-126.96	313.50	2.10	-124.86
CS(=O)(=O)C1=C(CNCC(CC(=O)[O-])C(=O)[O-])C=CS1	REAL300011840857	1	33	-2.0	-136.05	311.16	3.50	-132.55
O=C([O-])CC(C[NH2+]CC1=C([O-])C=CC(F)=C1Br)C(=O)[O-]	REAL300011840991	1	31	-2.0	-115.80	298.20	5.98	-109.82
CC1=C(C(=O)[O-])N=C(C(C)NCC2=CC([N+](=O)[O-])=CC=C2[O-])S1	REAL300011860618	1	36	-2.0	-99.91	333.62	4.51	-95.40
CC1=C(C(=O)[O-])N=C(C(C)NCC2=CC([N+](=O)[O-])=CC=C2[O-])S1	REAL300011861726	1	36	-2.0	-99.91	333.62	4.51	-95.40
CC1=C(C(=O)[O-])N=C(CNCC2=CC([N+](=O)[O-])=CC=C2[O-])S1	REAL300011867845	1	33	-2.0	-102.91	316.09	3.79	-99.12
CC1=C(C(=O)[O-])N=C(CNCC2=CC(Cl)=CC(Cl)=C2[O-])S1	REAL300011867853	1	31	-2.0	-93.38	320.39	4.19	-89.19
O=C([O-])CC(F)(F)CNCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011888171	0	28	-2.0	-96.07	289.02	4.51	-91.56
O=C([O-])CC(F)(F)CNCC1=CC(Cl)=CC(Br)=C1[O-]	REAL300011888460	0	28	-2.0	-95.18	293.41	4.63	-90.55
O=C([O-])CC(F)(F)CNCC1=CC(Br)=CC(F)=C1[O-]	REAL300011888461	0	28	-2.0	-100.42	283.78	4.14	-96.28
O=C([O-])CC(F)(F)CNCC1=C([O-])C=CC(F)=C1Br	REAL300011888706	1	28	-2.0	-94.93	279.68	4.02	-90.91
CN1N=C(CNCC2=C([O-])C=CC(Cl)=C2F)C(Br)=C1C(=O)[O-]	REAL300011900712	0	32	-2.0	-86.98	324.21	4.10	-82.88
CN1N=C(CNCC2=CC([N+](=O)[O-])=CC=C2[O-])C(Br)=C1C(=O)[O-]	REAL300011900748	0	34	-2.0	-84.93	329.98	4.30	-80.63
CN1N=C(CNCC2=CC(F)=CC(F)=C2[O-])C(Br)=C1C(=O)[O-]	REAL300011901032	0	32	-2.0	-91.00	315.61	3.69	-87.31
CC(NCC1=CC([N+](=O)[O-])=CC=C1[O-])C1=NC=C(C(=O)[O-])C(=O)N1	REAL300011902440	1	36	-2.0	-101.10	327.77	4.11	-96.99
CC(NCC1=CC(Cl)=CC(Cl)=C1[O-])C1=NC=C(C(=O)[O-])C(=O)N1	REAL300011902447	1	34	-2.0	-105.01	332.20	4.51	-100.50
CC(NCC1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=NC=C(C(=O)[O-])C(=O)[N-]1	REAL300011903221	1	36	-2.0	-124.16	341.62	5.87	-118.29
CSC1=CC=C(NCC2=C([O-])C=CC(Cl)=C2F)C=C1C(=O)[O-]	REAL300011948267	1	33	-2.0	-96.65	316.81	7.00	-89.65
CSC1=CC=C(NCC2=CC([N+](=O)[O-])=CC=C2[O-])C=C1C(=O)[O-]	REAL300011948340	0	35	-2.0	-93.84	323.89	7.12	-86.72
CSC1=CC=C(NCC2=CC(Cl)=CC(Cl)=C2[O-])C=C1C(=O)[O-]	REAL300011948347	0	33	-2.0	-97.33	328.43	7.51	-89.82
CSC1=CC=C(NCC2=CC(Br)=CC(F)=C2[O-])C=C1C(=O)[O-]	REAL300011948773	1	33	-2.0	-101.29	323.19	7.14	-94.15
CSC1=CC=C(NCC2=CC(F)=CC(F)=C2[O-])C=C1C(=O)[O-]	REAL300011948774	1	33	-2.0	-100.64	308.30	6.58	-94.06
COC(=O)C1=CC2=C(C=C(CNC3=CC=C(SC)C(C(=O)[O-])=C3)O2)[N-]1	REAL300011948930	1	39	-2.0	-99.13	354.36	6.88	-92.25
O=C([O-])C1=CC=NC2=CC=C(NCC3=C([O-])C=CC(Cl)=C3F)C=C21	REAL300011968917	1	34	-2.0	-98.63	317.94	6.42	-92.21
O=C([O-])C1=CC=NC2=CC=C(NCC3=CC([N+](=O)[O-])=CC=C3[O-])C=C21	REAL300011968988	0	36	-2.0	-96.06	325.03	6.53	-89.53
O=C([O-])C1=CC=NC2=CC=C(NCC3=CC(Cl)=CC(Cl)=C3[O-])C=C21	REAL300011968995	0	34	-2.0	-99.74	329.57	6.92	-92.82
O=C([O-])C1=CC=NC2=CC=C(NCC3=CC(Br)=CC(F)=C3[O-])C=C21	REAL300011969413	1	34	-2.0	-103.91	324.33	6.55	-97.36
O=C([O-])C1=CC=NC2=CC=C(NCC3=CC(F)=CC(F)=C3[O-])C=C21	REAL300011969414	1	34	-2.0	-103.23	309.44	6.00	-97.23
COC(=O)C1=CC2=C(C=C(CNC3=CC4=C(C(=O)[O-])C=CN=C4C=C3)O2)[N-]1	REAL300011969569	1	40	-2.0	-101.01	354.71	6.27	-94.74
O=C([O-])C(CC1=CC=CC=C1)ONCC1=C([O-])C=CC(Cl)=C1F	REAL300011977535	0	36	-2.0	-113.01	340.33	7.93	-105.08
O=C([O-])C(CC1=CC=CC=C1)ONCC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300011977598	0	38	-2.0	-96.54	346.10	8.13	-88.41
O=C([O-])C(CC1=CC=CC=C1)ONCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011977603	0	36	-2.0	-97.85	352.26	8.45	-89.40
O=C([O-])C(CC1=CC=CC=C1)ONCC1=CC(Br)=CC(F)=C1[O-]	REAL300011977938	0	36	-2.0	-101.11	347.02	8.07	-93.04
O=C([O-])C(CC1=CC=CC=C1)ONCC1=CC(F)=CC(F)=C1[O-]	REAL300011977939	0	36	-2.0	-100.02	331.60	7.52	-92.50
COC(=O)C1=CC2=C(C=C(CNOC(CC3=CC=CC=C3)C(=O)[O-])O2)[N-]1	REAL300011978058	1	42	-2.0	-98.47	377.90	7.81	-90.66
O=C([O-])C(CC1=CC=CC=C1)ONCC1=C([O-])C=CC(F)=C1Br	REAL300011978209	1	36	-2.0	-112.46	342.84	7.94	-104.52